A0A077ZNN9_TRITR Loading...

Cell division protein

AlphaFold DB , UniProt , Accession A0A077ZNN9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 355 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
1M52.4Low71.6Confident59 Ų5999.4 Ų99.429%0.29147%0.473SS..  0-77.20-142.8-177.4-160.600113R3 E4 I6 F11 A73 K162 V165M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 3.28Å; M1-E4 PolarHBondContact O-N 3.38Å; M1-I6 HydrophobicContact CE-CD1 4.49Å; M1-F11 HydrophobicContact CG-CE1 4.14Å; M1-F11 HydrophobicContact SD-CE1 4.28Å; M1-A73 HydrophobicContact CE-CB 4.47Å; M1-A73 HydrophobicContact SD-CB 4.05Å; M1-K162 HydrophobicContact CG-CB 4.33Å; M1-V165 HydrophobicContact CE-CB 3.24Å; M1-V165 HydrophobicContact CE-CG1 3.49Å; M1-V165 VanDerWaalsContact CE-CG1 3.49Å; M1-V165 HydrophobicContact CE-CG2 3.3Å
2V52.5Low73.5Confident55 Ų5596.8 Ų96.833%0.33346%0.458SS..THydrogen-bonded Turntrans-57.8-27-166.4177.40000117E4 A25 V26V2-E4 PolarHBondContact O-N 3.15Å; V2-A25 HydrophobicContact CG1-CB 4.03Å; V2-V26 HydrophobicContact CB-CG2 3.88Å; V2-V26 HydrophobicContact CG1-CB 4.18Å; V2-V26 HydrophobicContact CG1-CG2 3.29Å; V2-V26 HydrophobicContact CG2-CG2 3.23Å
3R55.3Low75.2Confident240 Ų24090.6 Ų90.691%0.90643%0.434SS*.THydrogen-bonded Turntrans-68-17.5-176.2-69.2-176.1179.5175.2-0.1113.2M1M1-R3 VanDerWaalsContact C-N 3.3Å; M1-R3 PolarHBondContact O-N 3.28Å
4E61.7Low76.8Confident97 Ų9787.6 Ų87.645%0.45342%0.424SS..SBendtrans-117133.4178.8-68168.2-144.300108.3M1 V2 K162M1-E4 PolarHBondContact O-N 3.38Å; V2-E4 PolarHBondContact O-N 3.15Å; E4-K162 VanDerWaalsContact CD-NZ 3.27Å; E4-K162 IonicContact OE1-NZ 3.53Å; E4-K162 PolarHBondContact OE1-NZ 3.36Å; E4-K162 VanDerWaalsContact OE1-NZ 3.11Å; E4-K162 VanDerWaalsContact OE2-CD 3.28Å; E4-K162 WeakPolarHBondContact OE2-CD 3.34Å; E4-K162 WeakPolarHBondContact OE2-CE 3.5Å; E4-K162 IonicContact OE2-NZ 3.67Å; E4-K162 PolarHBondContact OE2-NZ 3.34Å
5R66.5Low78.1Confident241 Ų24184.7 Ų84.791%0.90941%0.411SS*.PPolyproline II helixtrans-82.6120.1-179.2-71.1-176.8178.2-174.9-1.4108.9
6I76.1Confident79.4Confident11 Ų1179.4 Ų79.46%0.05639%0.386CS..PPolyproline II helixtrans-85.7120.8162.5-56172.8000106.3M1 V9 F11 V165 Q166 A169M1-I6 HydrophobicContact CE-CD1 4.49Å; I6-V9 HydrophobicContact CB-CB 4.12Å; I6-V9 HydrophobicContact CB-CG2 4.08Å; I6-V9 HydrophobicContact CG2-CB 4.17Å; I6-V9 HydrophobicContact CG2-CG2 3.57Å; I6-V9 PolarHBondContact O-N 3.37Å; I6-F11 HydrophobicContact CB-CE2 4.28Å; I6-F11 HydrophobicContact CB-CZ 3.87Å; I6-F11 HydrophobicContact CD1-CE1 4.36Å; I6-F11 HydrophobicContact CD1-CZ 3.87Å; I6-F11 HydrophobicContact CG1-CZ 3.84Å; I6-V165 HydrophobicContact CD1-CB 4.43Å; I6-V165 HydrophobicContact CD1-CG1 3.98Å; I6-Q166 HydrophobicContact CD1-CB 3.99Å; I6-Q166 HydrophobicContact CG1-CB 4.31Å; I6-A169 HydrophobicContact CG2-CB 3.86Å
7E75.3Confident80.4Confident115 Ų11577.7 Ų77.754%0.53738%0.379SS..THydrogen-bonded Turntrans-64.2137.2-178.7-171.5170.8-169.500110.9V9 T173 R174E7-V9 PolarHBondContact O-N 3.47Å; E7-T173 VanDerWaalsContact O-CB 3.26Å; E7-T173 WeakPolarHBondContact O-CB 3.13Å; E7-T173 PolarHBondContact O-OG1 3.29Å; E7-R174 IonicContact OE2-NE 3.93Å
8G79.3Confident81.1Confident69 Ų6974.3 Ų74.371%0.71137%0.365SS*.THydrogen-bonded Turntrans75.11.9-178.100000115.4
9V86.9Confident81.7Confident37 Ų3776.6 Ų76.622%0.22438%0.375CS..  trans-108.9125.2178.4-178.40000110.7I6 E7 F11 A169I6-V9 HydrophobicContact CB-CB 4.12Å; I6-V9 HydrophobicContact CB-CG2 4.08Å; I6-V9 HydrophobicContact CG2-CB 4.17Å; I6-V9 HydrophobicContact CG2-CG2 3.57Å; I6-V9 PolarHBondContact O-N 3.37Å; E7-V9 PolarHBondContact O-N 3.47Å; V9-F11 HydrophobicContact CB-CE2 4.13Å; V9-F11 HydrophobicContact CB-CZ 4.35Å; V9-F11 HydrophobicContact CG1-CD2 4.47Å; V9-F11 HydrophobicContact CG1-CE1 4.43Å; V9-F11 HydrophobicContact CG1-CE2 4.08Å; V9-F11 HydrophobicContact CG1-CZ 4.07Å; V9-F11 WeakPolarHBondContact O-CD2 3.23Å; V9-F11 WeakPolarHBondContact O-CE2 3.41Å; V9-A169 HydrophobicContact CG2-CB 3.66Å
10E90.3Very high82.2Confident124 Ų12474.6 Ų74.658%0.57937%0.371SS*.  trans-86.8134.8168.5-173.3161.6-139.100110.8F12 Q28E10-F12 HydrophobicContact CB-CE2 4.31Å; E10-F12 HydrophobicContact CG-CD2 4.23Å; E10-F12 HydrophobicContact CG-CE2 3.61Å; E10-F12 HydrophobicContact CG-CZ 4.27Å; E10-Q28 PolarHBondContact OE1-NE2 3.33Å
11F91.2Very high82.6Confident45 Ų4571.6 Ų71.620%0.19736%0.357CS..  trans-106.7132.6-176.8-68.8-92.1000110.7M1 I6 V9 V26 Q28M1-F11 HydrophobicContact CG-CE1 4.14Å; M1-F11 HydrophobicContact SD-CE1 4.28Å; I6-F11 HydrophobicContact CB-CE2 4.28Å; I6-F11 HydrophobicContact CB-CZ 3.87Å; I6-F11 HydrophobicContact CD1-CE1 4.36Å; I6-F11 HydrophobicContact CD1-CZ 3.87Å; I6-F11 HydrophobicContact CG1-CZ 3.84Å; V9-F11 HydrophobicContact CB-CE2 4.13Å; V9-F11 HydrophobicContact CB-CZ 4.35Å; V9-F11 HydrophobicContact CG1-CD2 4.47Å; V9-F11 HydrophobicContact CG1-CE1 4.43Å; V9-F11 HydrophobicContact CG1-CE2 4.08Å; V9-F11 HydrophobicContact CG1-CZ 4.07Å; V9-F11 WeakPolarHBondContact O-CD2 3.23Å; V9-F11 WeakPolarHBondContact O-CE2 3.41Å; F11-V26 HydrophobicContact CB-CG1 3.84Å; F11-V26 WeakPolarHBondContact O-CG1 3.37Å; F11-Q28 WeakPolarHBondContact O-CB 3.11Å
12F94.3Very high84.4Confident68 Ų6878.9 Ų78.930%0.29838%0.381SS..EExtended strand (participates in β ladder)trans-119.7134.6171.4-70.5-99000110.1E10 Q28 I30 A63E10-F12 HydrophobicContact CB-CE2 4.31Å; E10-F12 HydrophobicContact CG-CD2 4.23Å; E10-F12 HydrophobicContact CG-CE2 3.61Å; E10-F12 HydrophobicContact CG-CZ 4.27Å; F12-Q28 HydrophobicContact CD1-CB 3.61Å; F12-Q28 HydrophobicContact CD1-CG 4.46Å; F12-Q28 HydrophobicContact CE1-CB 3.76Å; F12-Q28 HydrophobicContact CE1-CG 4.16Å; F12-Q28 HydrophobicContact CG-CB 4.15Å; F12-Q28 HydrophobicContact CZ-CB 4.37Å; F12-Q28 HydrophobicContact CZ-CG 4.36Å; F12-Q28 VanDerWaalsContact CZ-OE1 3.23Å; F12-I30 HydrophobicContact CD1-CD1 3.91Å; F12-I30 HydrophobicContact CD1-CG1 4.26Å; F12-A63 HydrophobicContact CD1-CB 4.05Å; F12-A63 HydrophobicContact CE1-CB 3.64Å; F12-A63 HydrophobicContact CZ-CB 4.19Å
13A95.3Very high86.2Confident17 Ų1784.5 Ų84.514%0.1440%0.401CS..EExtended strand (participates in β ladder)trans-101.7113.9167.700000109.7L21 T24 V26 Q28 T29 I30A13-L21 HydrophobicContact CB-CD2 3.98Å; A13-L21 WeakPolarHBondContact O-CD2 3.33Å; A13-T24 HydrophobicContact CB-CG2 4.07Å; A13-V26 HydrophobicContact CB-CB 4.08Å; A13-V26 HydrophobicContact CB-CG2 3.93Å; A13-Q28 PolarHBondContact N-O 3.42Å; A13-T29 HydrophobicContact CB-CG2 4.32Å; A13-T29 CarbonylContact O-C 3.59Å; A13-T29 WeakPolarHBondContact O-CA 3.08Å; A13-I30 PolarHBondContact O-N 3.17Å
14V97.7Very high87.6Confident49 Ų4975.2 Ų75.230%0.29737%0.371SS..EExtended strand (participates in β ladder)trans-106123.8176.6-170.70000109.3I30 I32 L60V14-I30 WeakPolarHBondContact CA-O 3.47Å; V14-I30 HydrophobicContact CG1-CB 4.48Å; V14-I30 HydrophobicContact CG2-CB 4.27Å; V14-I30 HydrophobicContact CG2-CD1 4.27Å; V14-I32 HydrophobicContact CG1-CD1 3.91Å; V14-I32 HydrophobicContact CG1-CG1 4.03Å; V14-I32 HydrophobicContact CG1-CG2 3.66Å; V14-L60 HydrophobicContact CG1-CD2 4.03Å; V14-L60 HydrophobicContact CG2-CD2 4.28Å
15N97.3Very high88.6Confident43 Ų4374.5 Ų74.523%0.2338%0.382CS..EExtended strand (participates in β ladder)trans-154.7151.8178.9-153.9-32.6000112.9D17 L21 I30 Q31 I32N15-D17 PolarHBondContact OD1-N 3.15Å; N15-L21 HydrophobicContact CB-CD1 4.16Å; N15-L21 HydrophobicContact CB-CD2 3.58Å; N15-L21 HydrophobicContact CB-CG 3.72Å; N15-I30 PolarHBondContact N-O 3.15Å; N15-I30 VanDerWaalsContact N-O 3.08Å; N15-Q31 WeakPolarHBondContact O-CA 3.5Å; N15-I32 PolarHBondContact O-N 3.03Å
16T97.7Very high89.3Confident1 Ų163.7 Ų63.71%0.00634%0.342CS..SBendtrans-80.8-19169.850.20000113.7I32 T37 G39 G41 A42 A52 T80T16-I32 WeakPolarHBondContact CA-O 2.95Å; T16-I32 HydrophobicContact CG2-CD1 4.12Å; T16-I32 HydrophobicContact CG2-CG1 3.82Å; T16-T37 HydrophobicContact CG2-CG2 4.16Å; T16-T37 PolarHBondContact O-OG1 2.74Å; T16-G39 CarbonylContact O-C 3.47Å; T16-G39 WeakPolarHBondContact O-CA 3.24Å; T16-G41 PolarHBondContact O-N 3.4Å; T16-G41 WeakPolarHBondContact OG1-CA 3.37Å; T16-A42 HydrophobicContact CG2-CB 4.34Å; T16-A42 PolarHBondContact OG1-N 2.8Å; T16-A52 HydrophobicContact CG2-CB 3.55Å; T16-T80 HydrophobicContact CG2-CG2 4.07Å; T16-T80 PolarHBondContact OG1-OG1 3.46Å
17D96.4Very high89.3Confident50 Ų5067.1 Ų67.127%0.26738%0.38SS..BIsolated β-bridgetrans-96114.1-179.8-176.5-31.7000110.7N15 Q19 A20 L21N15-D17 PolarHBondContact OD1-N 3.15Å; D17-Q19 VanDerWaalsContact C-N 3.33Å; D17-Q19 PolarHBondContact O-N 2.85Å; D17-Q19 WeakPolarHBondContact OD1-CA 3.48Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.48Å; D17-Q19 PolarHBondContact OD1-N 2.91Å; D17-A20 HydrophobicContact CB-CB 3.85Å; D17-A20 PolarHBondContact O-N 2.69Å; D17-A20 PolarHBondContact OD1-N 3.17Å; D17-L21 PolarHBondContact O-N 3.36Å; D17-L21 VanDerWaalsContact O-N 3.17Å
18A93.5Very high90Very high16 Ų1665.6 Ų65.613%0.13237%0.373CS..Hα-helixtrans-67.8-30.6-178.400000113R22 G39A18-R22 WeakPolarHBondContact O-CG 3.35Å; A18-R22 PolarHBondContact O-N 3.42Å; A18-R22 VanDerWaalsContact O-N 3.16Å; A18-G39 PolarHBondContact N-O 3.3Å
19Q92.8Very high90.7Very high118 Ų11865.8 Ų65.855%0.55136%0.361SS*.Hα-helixtrans-73.8-37.6177.3-59.3-17540.400111.2D17 L21 R22 K23D17-Q19 VanDerWaalsContact C-N 3.33Å; D17-Q19 PolarHBondContact O-N 2.85Å; D17-Q19 WeakPolarHBondContact OD1-CA 3.48Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.48Å; D17-Q19 PolarHBondContact OD1-N 2.91Å; Q19-L21 VanDerWaalsContact C-N 3.32Å; Q19-R22 PolarHBondContact O-N 2.77Å; Q19-K23 WeakPolarHBondContact O-CG 3.27Å; Q19-K23 PolarHBondContact O-N 3.27Å
20A90.8Very high91.2Very high37 Ų3765 Ų6531%0.30636%0.355SS..Hα-helixtrans-61.8-42.9174.200000111D17 K23 T24D17-A20 HydrophobicContact CB-CB 3.85Å; D17-A20 PolarHBondContact O-N 2.69Å; D17-A20 PolarHBondContact OD1-N 3.17Å; A20-K23 PolarHBondContact O-N 3.2Å; A20-T24 PolarHBondContact O-N 2.96Å
21L91.5Very high91.5Very high12 Ų1262.4 Ų62.46%0.06334%0.343CS..Hα-helixtrans-62.5-44.2176.2-70173.3000112.6A13 N15 D17 Q19 K23 T24 T29 Q31A13-L21 HydrophobicContact CB-CD2 3.98Å; A13-L21 WeakPolarHBondContact O-CD2 3.33Å; N15-L21 HydrophobicContact CB-CD1 4.16Å; N15-L21 HydrophobicContact CB-CD2 3.58Å; N15-L21 HydrophobicContact CB-CG 3.72Å; D17-L21 PolarHBondContact O-N 3.36Å; D17-L21 VanDerWaalsContact O-N 3.17Å; Q19-L21 VanDerWaalsContact C-N 3.32Å; L21-K23 PolarHBondContact O-N 3.38Å; L21-K23 VanDerWaalsContact O-N 3.11Å; L21-T24 WeakPolarHBondContact O-CB 3.48Å; L21-T24 WeakPolarHBondContact O-CG2 3.41Å; L21-T24 PolarHBondContact O-N 3.25Å; L21-T29 HydrophobicContact CD2-CG2 4.49Å; L21-Q31 VanDerWaalsContact CD1-CA 3.49Å; L21-Q31 HydrophobicContact CD1-CB 3.53Å; L21-Q31 HydrophobicContact CD1-CG 3.95Å
22R90.4Very high91.8Very high212 Ų21260.2 Ų60.280%0.833%0.333SS*.Hα-helixtrans-62.1-21.9178.6-72.2172.6-173.9171.93.1114.3A18 Q19A18-R22 WeakPolarHBondContact O-CG 3.35Å; A18-R22 PolarHBondContact O-N 3.42Å; A18-R22 VanDerWaalsContact O-N 3.16Å; Q19-R22 PolarHBondContact O-N 2.77Å
23K88.9Confident92Very high172 Ų17257 Ų5775%0.74832%0.319SS*.THydrogen-bonded Turntrans-89.9-8177.8-67.5175.6-175.2176.10112.9Q19 A20 L21Q19-K23 WeakPolarHBondContact O-CG 3.27Å; Q19-K23 PolarHBondContact O-N 3.27Å; A20-K23 PolarHBondContact O-N 3.2Å; L21-K23 PolarHBondContact O-N 3.38Å; L21-K23 VanDerWaalsContact O-N 3.11Å
24T84.9Confident92Very high46 Ų4658.7 Ų58.728%0.28233%0.33SS..  trans-72.7147.4-179.4-159.10000110.8A13 A20 L21 V26 T29A13-T24 HydrophobicContact CB-CG2 4.07Å; A20-T24 PolarHBondContact O-N 2.96Å; L21-T24 WeakPolarHBondContact O-CB 3.48Å; L21-T24 WeakPolarHBondContact O-CG2 3.41Å; L21-T24 PolarHBondContact O-N 3.25Å; T24-V26 VanDerWaalsContact C-N 3.32Å; T24-V26 HydrophobicContact CG2-CB 4.05Å; T24-V26 HydrophobicContact CG2-CG2 4.47Å; T24-V26 WeakPolarHBondContact OG1-CG2 3.49Å; T24-T29 HydrophobicContact CG2-CG2 3.41Å; T24-T29 VanDerWaalsContact CG2-CG2 3.41Å
25A82.8Confident91.8Very high82 Ų8258.7 Ų58.768%0.67834%0.34SS*.  trans-89-2.1172.700000112.4V2V2-A25 HydrophobicContact CG1-CB 4.03Å
26V81.8Confident91.7Very high14 Ų1461 Ų619%0.08535%0.352CS..  trans-71132.4177.1-169.60000109.3V2 F11 A13 T24 Q28V2-V26 HydrophobicContact CB-CG2 3.88Å; V2-V26 HydrophobicContact CG1-CB 4.18Å; V2-V26 HydrophobicContact CG1-CG2 3.29Å; V2-V26 HydrophobicContact CG2-CG2 3.23Å; F11-V26 HydrophobicContact CB-CG1 3.84Å; F11-V26 WeakPolarHBondContact O-CG1 3.37Å; A13-V26 HydrophobicContact CB-CB 4.08Å; A13-V26 HydrophobicContact CB-CG2 3.93Å; T24-V26 VanDerWaalsContact C-N 3.32Å; T24-V26 HydrophobicContact CG2-CB 4.05Å; T24-V26 HydrophobicContact CG2-CG2 4.47Å; T24-V26 WeakPolarHBondContact OG1-CG2 3.49Å; V26-Q28 WeakPolarHBondContact CG1-O 3.46Å
27G76.9Confident91.5Very high83 Ų8361.5 Ų61.586%0.85636%0.355SS*.SBendtrans-66.8-37.3175.600000113
28Q89.9Confident91.4Very high82 Ų8267.1 Ų67.138%0.38338%0.377SS..EExtended strand (participates in β ladder)trans-98.4118.2179.8-54-12512.200111.1E10 F11 F12 A13 V26E10-Q28 PolarHBondContact OE1-NE2 3.33Å; F11-Q28 WeakPolarHBondContact O-CB 3.11Å; F12-Q28 HydrophobicContact CD1-CB 3.61Å; F12-Q28 HydrophobicContact CD1-CG 4.46Å; F12-Q28 HydrophobicContact CE1-CB 3.76Å; F12-Q28 HydrophobicContact CE1-CG 4.16Å; F12-Q28 HydrophobicContact CG-CB 4.15Å; F12-Q28 HydrophobicContact CZ-CB 4.37Å; F12-Q28 HydrophobicContact CZ-CG 4.36Å; F12-Q28 VanDerWaalsContact CZ-OE1 3.23Å; A13-Q28 PolarHBondContact N-O 3.42Å; V26-Q28 WeakPolarHBondContact CG1-O 3.46Å
29T94.2Very high91.4Very high73 Ų7366.6 Ų66.645%0.44837%0.373SS..EExtended strand (participates in β ladder)trans-128.2135.1179.3650000111A13 L21 T24A13-T29 HydrophobicContact CB-CG2 4.32Å; A13-T29 CarbonylContact O-C 3.59Å; A13-T29 WeakPolarHBondContact O-CA 3.08Å; L21-T29 HydrophobicContact CD2-CG2 4.49Å; T24-T29 HydrophobicContact CG2-CG2 3.41Å; T24-T29 VanDerWaalsContact CG2-CG2 3.41Å
30I96.1Very high91.6Very high22 Ų2267.3 Ų67.311%0.11338%0.38CS..EExtended strand (participates in β ladder)trans-120111.9176.3-50.4175.3000107.7F12 A13 V14 N15 I32 A59 L60 A63F12-I30 HydrophobicContact CD1-CD1 3.91Å; F12-I30 HydrophobicContact CD1-CG1 4.26Å; A13-I30 PolarHBondContact O-N 3.17Å; V14-I30 WeakPolarHBondContact CA-O 3.47Å; V14-I30 HydrophobicContact CG1-CB 4.48Å; V14-I30 HydrophobicContact CG2-CB 4.27Å; V14-I30 HydrophobicContact CG2-CD1 4.27Å; N15-I30 PolarHBondContact N-O 3.15Å; N15-I30 VanDerWaalsContact N-O 3.08Å; I30-I32 HydrophobicContact CG2-CG2 4.01Å; I30-A59 HydrophobicContact CG2-CB 4.28Å; I30-L60 HydrophobicContact CD1-CD2 4.31Å; I30-L60 HydrophobicContact CG2-CD2 4.38Å; I30-A63 HydrophobicContact CD1-CB 3.41Å; I30-A63 VanDerWaalsContact CD1-CB 3.41Å
31Q97Very high91.7Very high68 Ų6866.4 Ų66.432%0.31837%0.374SS..EExtended strand (participates in β ladder)trans-84124170.1-172.7-180-29.500109N15 L21 S34N15-Q31 WeakPolarHBondContact O-CA 3.5Å; L21-Q31 VanDerWaalsContact CD1-CA 3.49Å; L21-Q31 HydrophobicContact CD1-CB 3.53Å; L21-Q31 HydrophobicContact CD1-CG 3.95Å; Q31-S34 PolarHBondContact NE2-OG 2.98Å; Q31-S34 VanDerWaalsContact NE2-OG 3.15Å
32I98.3Very high91.9Very high0 Ų066.1 Ų66.10%037%0.374CS..  trans-110.5149.4178.958.6163.7000111.7V14 N15 T16 I30 A52 A53 D56 L60 T80 A84V14-I32 HydrophobicContact CG1-CD1 3.91Å; V14-I32 HydrophobicContact CG1-CG1 4.03Å; V14-I32 HydrophobicContact CG1-CG2 3.66Å; N15-I32 PolarHBondContact O-N 3.03Å; T16-I32 WeakPolarHBondContact CA-O 2.95Å; T16-I32 HydrophobicContact CG2-CD1 4.12Å; T16-I32 HydrophobicContact CG2-CG1 3.82Å; I30-I32 HydrophobicContact CG2-CG2 4.01Å; I32-A52 HydrophobicContact CD1-CB 4.32Å; I32-A52 HydrophobicContact CG1-CB 4.35Å; I32-A53 HydrophobicContact CD1-CB 3.98Å; I32-D56 VanDerWaalsContact CA-OD2 3.26Å; I32-D56 WeakPolarHBondContact CA-OD2 3.29Å; I32-D56 HydrophobicContact CB-CB 4.29Å; I32-D56 HydrophobicContact CG2-CB 3.91Å; I32-L60 HydrophobicContact CG2-CD2 4.31Å; I32-T80 HydrophobicContact CD1-CG2 4.32Å; I32-A84 HydrophobicContact CD1-CB 3.69Å
33G97.4Very high92.1Very high0 Ų059.6 Ų59.60%037%0.372CS..  trans64.241.1179.900000113.4G35 I36 T37 A52 E55 D56G33-G35 VanDerWaalsContact C-N 3.26Å; G33-G35 PolarHBondContact O-N 3.04Å; G33-I36 PolarHBondContact O-N 3.13Å; G33-T37 WeakPolarHBondContact O-CB 3.49Å; G33-T37 PolarHBondContact O-N 3.01Å; G33-T37 PolarHBondContact O-OG1 2.91Å; G33-A52 VanDerWaalsContact CA-CB 3.46Å; G33-A52 PolarHBondContact N-O 3.28Å; G33-A52 VanDerWaalsContact N-O 3.15Å; G33-E55 WeakPolarHBondContact CA-OE2 3.32Å; G33-D56 PolarHBondContact N-OD2 3.02Å
34S94.9Very high92.2Very high52 Ų5253.9 Ų53.936%0.36436%0.357SS..Hα-helixtrans-62.7-35179.9-68.30000111.9Q31 K38 E55Q31-S34 PolarHBondContact NE2-OG 2.98Å; Q31-S34 VanDerWaalsContact NE2-OG 3.15Å; S34-K38 WeakPolarHBondContact O-CA 3.4Å; S34-K38 PolarHBondContact O-N 3.02Å; S34-K38 VanDerWaalsContact O-N 3.11Å; S34-E55 PolarHBondContact N-OE1 2.94Å
35G94.4Very high92.8Very high50 Ų5055 Ų5552%0.51536%0.361SS..Hα-helixtrans-70.6-50.6174.100000112.6G33 E55G33-G35 VanDerWaalsContact C-N 3.26Å; G33-G35 PolarHBondContact O-N 3.04Å; G35-E55 WeakPolarHBondContact CA-OE1 3.45Å; G35-E55 PolarHBondContact N-OE1 3.09Å
36I94.7Very high93.5Very high92 Ų9251.8 Ų51.847%0.47233%0.333SS..Hα-helixtrans-72.6-44.5-175.5-66.7163000112.5G33 V48 N51 E55G33-I36 PolarHBondContact O-N 3.13Å; I36-V48 HydrophobicContact CG2-CG1 4.22Å; I36-N51 HydrophobicContact CD1-CB 3.81Å; I36-E55 HydrophobicContact CD1-CB 4.49Å; I36-E55 WeakPolarHBondContact CD1-OE2 3.48Å; I36-E55 WeakPolarHBondContact CG1-OE2 3.32Å; I36-E55 PolarHBondContact N-OE2 3.33Å; I36-E55 VanDerWaalsContact N-OE2 3.11Å
37T94.8Very high94.3Very high11 Ų1156.2 Ų56.27%0.06735%0.353CS..Hα-helixtrans-97.2-16.3-172.973.70000113.3T16 G33 G39 L40 V48 A52T16-T37 HydrophobicContact CG2-CG2 4.16Å; T16-T37 PolarHBondContact O-OG1 2.74Å; G33-T37 WeakPolarHBondContact O-CB 3.49Å; G33-T37 PolarHBondContact O-N 3.01Å; G33-T37 PolarHBondContact O-OG1 2.91Å; T37-G39 PolarHBondContact O-N 3.46Å; T37-G39 VanDerWaalsContact O-N 3.16Å; T37-G39 PolarHBondContact OG1-N 3.12Å; T37-L40 WeakPolarHBondContact O-CB 3.36Å; T37-L40 PolarHBondContact O-N 2.92Å; T37-V48 HydrophobicContact CG2-CG1 3.79Å; T37-A52 HydrophobicContact CG2-CB 4.5Å
38K94.1Very high95.3Very high168 Ų16854 Ų5473%0.7332%0.323SS*.THydrogen-bonded Turntrans56.324.9-172.3-53.9178.4-177.7177.50113.1S34 L40S34-K38 WeakPolarHBondContact O-CA 3.4Å; S34-K38 PolarHBondContact O-N 3.02Å; S34-K38 VanDerWaalsContact O-N 3.11Å; K38-L40 VanDerWaalsContact C-N 3.3Å; K38-L40 PolarHBondContact O-N 2.86Å
39G93.7Very high95.7Very high5 Ų550.1 Ų50.15%0.05231%0.305CS..THydrogen-bonded Turntrans74.714.4-176.900000114.6T16 A18 T37T16-G39 CarbonylContact O-C 3.47Å; T16-G39 WeakPolarHBondContact O-CA 3.24Å; A18-G39 PolarHBondContact N-O 3.3Å; T37-G39 PolarHBondContact O-N 3.46Å; T37-G39 VanDerWaalsContact O-N 3.16Å; T37-G39 PolarHBondContact OG1-N 3.12Å
40L95.3Very high95.9Very high132 Ų13251.3 Ų51.369%0.69130%0.301SS*.BIsolated β-bridgetrans-94.71.7-178.9-58.1176.7000113.4T37 K38T37-L40 WeakPolarHBondContact O-CB 3.36Å; T37-L40 PolarHBondContact O-N 2.92Å; K38-L40 VanDerWaalsContact C-N 3.3Å; K38-L40 PolarHBondContact O-N 2.86Å
41G94.7Very high96Very high19 Ų1953.8 Ų53.820%0.19632%0.315CS..  trans89.1168.6-179.400000114.8T16 G43T16-G41 PolarHBondContact O-N 3.4Å; T16-G41 WeakPolarHBondContact OG1-CA 3.37Å; G41-G43 VanDerWaalsContact C-N 3.32Å; G41-G43 PolarHBondContact O-N 3.1Å
42A95.7Very high96.1Very high6 Ų650.6 Ų50.65%0.0530%0.299CS..  trans-81.60.7-175.400000115.4T16 A44 N45 V48T16-A42 HydrophobicContact CG2-CB 4.34Å; T16-A42 PolarHBondContact OG1-N 2.8Å; A42-A44 VanDerWaalsContact C-N 3.3Å; A42-A44 PolarHBondContact O-N 3.27Å; A42-N45 PolarHBondContact O-N 2.94Å; A42-N45 VanDerWaalsContact O-N 3.07Å; A42-V48 HydrophobicContact CB-CB 4.16Å; A42-V48 HydrophobicContact CB-CG1 4Å
43G93.2Very high96.1Very high75 Ų7550.6 Ų50.677%0.77330%0.299SS*.THydrogen-bonded Turntrans59.933.3176.700000115.1G41 N45G41-G43 VanDerWaalsContact C-N 3.32Å; G41-G43 PolarHBondContact O-N 3.1Å; G43-N45 PolarHBondContact O-N 3.05Å; G43-N45 VanDerWaalsContact O-N 3.14Å
44A91.9Very high96.2Very high51 Ų5153.1 Ų53.142%0.42131%0.313SS..THydrogen-bonded Turntrans56.522.3-174.600000114.8A42A42-A44 VanDerWaalsContact C-N 3.3Å; A42-A44 PolarHBondContact O-N 3.27Å
45N96.9Very high96.3Very high71 Ų7154.5 Ų54.538%0.3831%0.314SS..  trans-104.4112.4174.9-173.8-5.6000110.2A42 G43 E47 V48 G49 G79A42-N45 PolarHBondContact O-N 2.94Å; A42-N45 VanDerWaalsContact O-N 3.07Å; G43-N45 PolarHBondContact O-N 3.05Å; G43-N45 VanDerWaalsContact O-N 3.14Å; N45-E47 VanDerWaalsContact C-N 3.26Å; N45-E47 PolarHBondContact O-N 2.89Å; N45-E47 PolarHBondContact OD1-N 3.08Å; N45-E47 VanDerWaalsContact OD1-N 3.16Å; N45-V48 HydrophobicContact CB-CB 4.29Å; N45-V48 HydrophobicContact CB-CG2 3.92Å; N45-V48 PolarHBondContact O-N 2.98Å; N45-V48 VanDerWaalsContact O-N 3.15Å; N45-G49 PolarHBondContact O-N 3.49Å; N45-G79 WeakPolarHBondContact O-CA 3.36Å
46P98.2Very high96.5Very high13 Ų1354 Ų548%0.08430%0.299CS..Hα-helixtrans-55.2-38.6178.1-26.834.3000113.5V48 G49 R50 T82 G83 F117P46-V48 VanDerWaalsContact C-N 3.27Å; P46-V48 PolarHBondContact O-N 3.39Å; P46-G49 CarbonylContact O-C 3.58Å; P46-G49 WeakPolarHBondContact O-CA 3.43Å; P46-G49 PolarHBondContact O-N 3.42Å; P46-R50 PolarHBondContact O-N 3.12Å; P46-T82 HydrophobicContact CB-CG2 3.96Å; P46-T82 HydrophobicContact CG-CG2 3.9Å; P46-G83 VanDerWaalsContact O-CA 3.27Å; P46-G83 WeakPolarHBondContact O-CA 3.2Å; P46-F117 HydrophobicContact CG-CB 3.97Å; P46-F117 HydrophobicContact CG-CD1 4.1Å; P46-F117 HydrophobicContact CG-CD2 3.9Å; P46-F117 HydrophobicContact CG-CE2 4.34Å; P46-F117 HydrophobicContact CG-CG 3.76Å
47E97.9Very high96.7Very high108 Ų10852 Ų5251%0.50529%0.286SS..Hα-helixtrans-62.4-35.5-180-67.4-59.3125.500112.3N45 R50 N51N45-E47 VanDerWaalsContact C-N 3.26Å; N45-E47 PolarHBondContact O-N 2.89Å; N45-E47 PolarHBondContact OD1-N 3.08Å; N45-E47 VanDerWaalsContact OD1-N 3.16Å; E47-R50 PolarHBondContact O-N 3.24Å; E47-N51 WeakPolarHBondContact O-CB 3.45Å; E47-N51 PolarHBondContact O-N 3Å; E47-N51 PolarHBondContact O-ND2 2.89Å; E47-N51 VanDerWaalsContact O-ND2 3.11Å
48V98.2Very high96.8Very high36 Ų3657.3 Ų57.322%0.21831%0.314CS..Hα-helixtrans-69.1-39.3174.4178.50000110.5I36 T37 A42 N45 P46 R50 A52I36-V48 HydrophobicContact CG2-CG1 4.22Å; T37-V48 HydrophobicContact CG2-CG1 3.79Å; A42-V48 HydrophobicContact CB-CB 4.16Å; A42-V48 HydrophobicContact CB-CG1 4Å; N45-V48 HydrophobicContact CB-CB 4.29Å; N45-V48 HydrophobicContact CB-CG2 3.92Å; N45-V48 PolarHBondContact O-N 2.98Å; N45-V48 VanDerWaalsContact O-N 3.15Å; P46-V48 VanDerWaalsContact C-N 3.27Å; P46-V48 PolarHBondContact O-N 3.39Å; V48-R50 VanDerWaalsContact C-N 3.35Å; V48-A52 WeakPolarHBondContact O-CB 3.5Å; V48-A52 PolarHBondContact O-N 3.06Å
49G98.3Very high97Very high0 Ų051.5 Ų51.50%030%0.297CS..Hα-helixtrans-63.4-39.9175.100000112.8N45 P46 A53N45-G49 PolarHBondContact O-N 3.49Å; P46-G49 CarbonylContact O-C 3.58Å; P46-G49 WeakPolarHBondContact O-CA 3.43Å; P46-G49 PolarHBondContact O-N 3.42Å; G49-A53 PolarHBondContact O-N 3.2Å; G49-A53 VanDerWaalsContact O-N 3.1Å
50R98.5Very high97.2Very high98 Ų9851.4 Ų51.437%0.3730%0.295SS..Hα-helixtrans-63.4-56.3175-179.6-174.5178.4149.811111P46 E47 V48 A52 A53 D54 G83 V87P46-R50 PolarHBondContact O-N 3.12Å; E47-R50 PolarHBondContact O-N 3.24Å; V48-R50 VanDerWaalsContact C-N 3.35Å; R50-A52 PolarHBondContact O-N 3.19Å; R50-A53 PolarHBondContact O-N 3.06Å; R50-D54 IonicContact NE-OD2 3.91Å; R50-D54 PolarHBondContact O-N 2.84Å; R50-G83 VanDerWaalsContact CA-O 3.3Å; R50-G83 WeakPolarHBondContact CA-O 3.49Å; R50-V87 HydrophobicContact CG-CG2 3.98Å
51N98.5Very high97.3Very high75 Ų7548.7 Ų48.740%0.40128%0.276SS..Hα-helixtrans-60.1-33.7-179.7-66.6-29.5000112.1I36 E47 D54 E55I36-N51 HydrophobicContact CD1-CB 3.81Å; E47-N51 WeakPolarHBondContact O-CB 3.45Å; E47-N51 PolarHBondContact O-N 3Å; E47-N51 PolarHBondContact O-ND2 2.89Å; E47-N51 VanDerWaalsContact O-ND2 3.11Å; N51-D54 PolarHBondContact O-N 3.5Å; N51-E55 WeakPolarHBondContact O-CB 3.4Å; N51-E55 PolarHBondContact O-N 2.94Å
52A98.5Very high97.4Very high0 Ų050.8 Ų50.80%029%0.292CS..Hα-helixtrans-64.3-43.2173.600000112.6T16 I32 G33 T37 V48 R50 D54 E55 D56T16-A52 HydrophobicContact CG2-CB 3.55Å; I32-A52 HydrophobicContact CD1-CB 4.32Å; I32-A52 HydrophobicContact CG1-CB 4.35Å; G33-A52 VanDerWaalsContact CA-CB 3.46Å; G33-A52 PolarHBondContact N-O 3.28Å; G33-A52 VanDerWaalsContact N-O 3.15Å; T37-A52 HydrophobicContact CG2-CB 4.5Å; V48-A52 WeakPolarHBondContact O-CB 3.5Å; V48-A52 PolarHBondContact O-N 3.06Å; R50-A52 PolarHBondContact O-N 3.19Å; A52-D54 VanDerWaalsContact C-N 3.34Å; A52-E55 WeakPolarHBondContact O-CB 3.39Å; A52-E55 PolarHBondContact O-N 3.33Å; A52-D56 PolarHBondContact O-N 2.97Å
53A98.6Very high97.4Very high0 Ų051.8 Ų51.80%030%0.3CS..Hα-helixtrans-69-35.7175.200000111.7I32 G49 R50 E55 D56 R57 L60 A84 V87I32-A53 HydrophobicContact CD1-CB 3.98Å; G49-A53 PolarHBondContact O-N 3.2Å; G49-A53 VanDerWaalsContact O-N 3.1Å; R50-A53 PolarHBondContact O-N 3.06Å; A53-E55 VanDerWaalsContact C-N 3.35Å; A53-D56 CarbonylContact O-C 3.51Å; A53-D56 PolarHBondContact O-N 3.42Å; A53-R57 WeakPolarHBondContact O-CG 3.26Å; A53-R57 PolarHBondContact O-N 2.87Å; A53-R57 VanDerWaalsContact O-N 3.16Å; A53-L60 HydrophobicContact CB-CD1 4.13Å; A53-A84 HydrophobicContact CB-CB 3.74Å; A53-V87 HydrophobicContact CB-CB 3.7Å; A53-V87 HydrophobicContact CB-CG1 3.68Å; A53-V87 HydrophobicContact CB-CG2 4.07Å
54D98.4Very high97.6Very high53 Ų5349.2 Ų49.228%0.28327%0.268SS..Hα-helixtrans-66.4-34.4174.9-79.2-37.5000112.6R50 N51 A52 D56 R57R50-D54 IonicContact NE-OD2 3.91Å; R50-D54 PolarHBondContact O-N 2.84Å; N51-D54 PolarHBondContact O-N 3.5Å; A52-D54 VanDerWaalsContact C-N 3.34Å; D54-D56 VanDerWaalsContact C-N 3.27Å; D54-D56 PolarHBondContact O-N 3.34Å; D54-R57 WeakPolarHBondContact O-CG 3.48Å; D54-R57 WeakPolarHBondContact OD1-CD 3.37Å; D54-R57 IonicContact OD1-CZ 3.32Å; D54-R57 IonicContact OD1-NH1 3.38Å; D54-R57 PolarHBondContact OD1-NH1 3.38Å
55E98.3Very high97.8Very high81 Ų8152.7 Ų52.738%0.37928%0.276SS..Hα-helixtrans-59.9-37.1173.8-172.8-175.8137.400111.8G33 S34 G35 I36 N51 A52 A53G33-E55 WeakPolarHBondContact CA-OE2 3.32Å; S34-E55 PolarHBondContact N-OE1 2.94Å; G35-E55 WeakPolarHBondContact CA-OE1 3.45Å; G35-E55 PolarHBondContact N-OE1 3.09Å; I36-E55 HydrophobicContact CD1-CB 4.49Å; I36-E55 WeakPolarHBondContact CD1-OE2 3.48Å; I36-E55 WeakPolarHBondContact CG1-OE2 3.32Å; I36-E55 PolarHBondContact N-OE2 3.33Å; I36-E55 VanDerWaalsContact N-OE2 3.11Å; N51-E55 WeakPolarHBondContact O-CB 3.4Å; N51-E55 PolarHBondContact O-N 2.94Å; A52-E55 WeakPolarHBondContact O-CB 3.39Å; A52-E55 PolarHBondContact O-N 3.33Å; A53-E55 VanDerWaalsContact C-N 3.35Å
56D98.1Very high97.5Very high39 Ų3953.1 Ų53.121%0.20930%0.297CS..THydrogen-bonded Turntrans-114.328.3-172-68.5-75.4000113.1I32 G33 A52 A53 D54 D58 A59 L60I32-D56 VanDerWaalsContact CA-OD2 3.26Å; I32-D56 WeakPolarHBondContact CA-OD2 3.29Å; I32-D56 HydrophobicContact CB-CB 4.29Å; I32-D56 HydrophobicContact CG2-CB 3.91Å; G33-D56 PolarHBondContact N-OD2 3.02Å; A52-D56 PolarHBondContact O-N 2.97Å; A53-D56 CarbonylContact O-C 3.51Å; A53-D56 PolarHBondContact O-N 3.42Å; D54-D56 VanDerWaalsContact C-N 3.27Å; D54-D56 PolarHBondContact O-N 3.34Å; D56-D58 PolarHBondContact O-N 2.82Å; D56-A59 HydrophobicContact CB-CB 4.43Å; D56-A59 WeakPolarHBondContact O-CB 3.22Å; D56-A59 PolarHBondContact O-N 2.86Å; D56-A59 VanDerWaalsContact O-N 3.08Å; D56-L60 PolarHBondContact O-N 3.32Å
57R97.9Very high97.3Very high51 Ų5154.3 Ų54.319%0.19231%0.308CS..Hα-helixtrans-56.2-36.6-179.9-71.6-179.778102.80.7113.6A53 D54 A59 L60 R61 V87 E90A53-R57 WeakPolarHBondContact O-CG 3.26Å; A53-R57 PolarHBondContact O-N 2.87Å; A53-R57 VanDerWaalsContact O-N 3.16Å; D54-R57 WeakPolarHBondContact O-CG 3.48Å; D54-R57 WeakPolarHBondContact OD1-CD 3.37Å; D54-R57 IonicContact OD1-CZ 3.32Å; D54-R57 IonicContact OD1-NH1 3.38Å; D54-R57 PolarHBondContact OD1-NH1 3.38Å; R57-A59 VanDerWaalsContact C-N 3.33Å; R57-L60 PolarHBondContact O-N 2.79Å; R57-R61 WeakPolarHBondContact O-CB 3.39Å; R57-R61 PolarHBondContact O-N 3.29Å; R57-V87 HydrophobicContact CG-CG1 4.22Å; R57-E90 IonicContact CZ-OE2 2.91Å; R57-E90 VanDerWaalsContact CZ-OE2 3.32Å; R57-E90 IonicContact NH1-OE2 3.27Å; R57-E90 PolarHBondContact NH1-OE2 2.79Å; R57-E90 IonicContact NH2-OE1 3.54Å; R57-E90 IonicContact NH2-OE2 3.96Å; R57-E90 PolarHBondContact NH2-OE2 2.68Å
58D97.6Very high97.1Very high123 Ų12355.1 Ų55.166%0.65832%0.315SS*.Hα-helixtrans-68.3-36.3-179.9-69.1-28000111.4D56 R61 A62D56-D58 PolarHBondContact O-N 2.82Å; D58-R61 PolarHBondContact O-N 2.83Å; D58-R61 IonicContact OD1-NH1 2.69Å; D58-A62 WeakPolarHBondContact O-CB 3.44Å; D58-A62 PolarHBondContact O-N 2.94Å
59A97.5Very high96.9Very high45 Ų4554.9 Ų54.937%0.37231%0.312SS..Hα-helixtrans-68.1-39.9173.600000111.5I30 D56 R57 A63I30-A59 HydrophobicContact CG2-CB 4.28Å; D56-A59 HydrophobicContact CB-CB 4.43Å; D56-A59 WeakPolarHBondContact O-CB 3.22Å; D56-A59 PolarHBondContact O-N 2.86Å; D56-A59 VanDerWaalsContact O-N 3.08Å; R57-A59 VanDerWaalsContact C-N 3.33Å; A59-A63 WeakPolarHBondContact O-CB 3.45Å; A59-A63 PolarHBondContact O-N 3.23Å; A59-A63 VanDerWaalsContact O-N 3.13Å
60L98.2Very high96.8Very high4 Ų455.7 Ų55.72%0.02132%0.317CS..Hα-helixtrans-62.9-45.6173.3-66174.6000111.4V14 I30 I32 A53 D56 R57 A63 L64 V87 V88V14-L60 HydrophobicContact CG1-CD2 4.03Å; V14-L60 HydrophobicContact CG2-CD2 4.28Å; I30-L60 HydrophobicContact CD1-CD2 4.31Å; I30-L60 HydrophobicContact CG2-CD2 4.38Å; I32-L60 HydrophobicContact CG2-CD2 4.31Å; A53-L60 HydrophobicContact CB-CD1 4.13Å; D56-L60 PolarHBondContact O-N 3.32Å; R57-L60 PolarHBondContact O-N 2.79Å; L60-A63 PolarHBondContact O-N 2.76Å; L60-L64 WeakPolarHBondContact O-CD1 3.4Å; L60-L64 WeakPolarHBondContact O-CG 3.22Å; L60-L64 PolarHBondContact O-N 3.26Å; L60-V87 HydrophobicContact CD1-CG1 4.4Å; L60-V88 HydrophobicContact CD1-CG2 3.98Å; L60-V88 HydrophobicContact CD2-CG2 4.05Å
61R98.3Very high96.7Very high74 Ų7453.1 Ų53.128%0.27931%0.309SS..Hα-helixtrans-59-51.9177.3176.4175.4-75.3119.8-2.9111R57 D58 A63 L64 E65 V91 L95R57-R61 WeakPolarHBondContact O-CB 3.39Å; R57-R61 PolarHBondContact O-N 3.29Å; D58-R61 PolarHBondContact O-N 2.83Å; D58-R61 IonicContact OD1-NH1 2.69Å; R61-A63 PolarHBondContact O-N 3.24Å; R61-L64 PolarHBondContact O-N 2.77Å; R61-E65 HydrophobicContact CG-CG 4.49Å; R61-E65 WeakPolarHBondContact O-CG 3.41Å; R61-E65 PolarHBondContact O-N 3.33Å; R61-V91 HydrophobicContact CB-CG1 3.83Å; R61-L95 HydrophobicContact CG-CD1 4.23Å; R61-L95 HydrophobicContact CG-CD2 4.2Å
62A97.3Very high96.6Very high64 Ų6450.2 Ų50.253%0.52929%0.293SS..Hα-helixtrans-59.5-33.5-179.500000112.8D58 L64D58-A62 WeakPolarHBondContact O-CB 3.44Å; D58-A62 PolarHBondContact O-N 2.94Å; A62-L64 VanDerWaalsContact C-N 3.34Å
63A95.6Very high96.5Very high27 Ų2752.4 Ų52.422%0.22331%0.311CS..Hα-helixtrans-73.3-24.1176.300000113.9F12 I30 A59 L60 R61F12-A63 HydrophobicContact CD1-CB 4.05Å; F12-A63 HydrophobicContact CE1-CB 3.64Å; F12-A63 HydrophobicContact CZ-CB 4.19Å; I30-A63 HydrophobicContact CD1-CB 3.41Å; I30-A63 VanDerWaalsContact CD1-CB 3.41Å; A59-A63 WeakPolarHBondContact O-CB 3.45Å; A59-A63 PolarHBondContact O-N 3.23Å; A59-A63 VanDerWaalsContact O-N 3.13Å; L60-A63 PolarHBondContact O-N 2.76Å; R61-A63 PolarHBondContact O-N 3.24Å
64L96.9Very high96.4Very high20 Ų2053 Ų5311%0.10532%0.316CS..Hα-helixtrans-96.2-14.1-178.3-63.2167.6000112.6L60 R61 A62 G66 A67 V70 V88 V91 A92 L95 I97L60-L64 WeakPolarHBondContact O-CD1 3.4Å; L60-L64 WeakPolarHBondContact O-CG 3.22Å; L60-L64 PolarHBondContact O-N 3.26Å; R61-L64 PolarHBondContact O-N 2.77Å; A62-L64 VanDerWaalsContact C-N 3.34Å; L64-G66 PolarHBondContact O-N 3.44Å; L64-A67 WeakPolarHBondContact O-CB 3.16Å; L64-A67 PolarHBondContact O-N 2.95Å; L64-V70 HydrophobicContact CD2-CB 4.45Å; L64-V70 HydrophobicContact CD2-CG1 4.04Å; L64-V70 HydrophobicContact CD2-CG2 3.57Å; L64-V88 HydrophobicContact CD1-CG1 4.4Å; L64-V91 HydrophobicContact CD1-CB 4.25Å; L64-V91 HydrophobicContact CD1-CG1 3.87Å; L64-A92 HydrophobicContact CD1-CB 4.16Å; L64-L95 HydrophobicContact CB-CD1 3.75Å; L64-I97 HydrophobicContact CB-CD1 4.05Å; L64-I97 VanDerWaalsContact O-CD1 3.25Å; L64-I97 WeakPolarHBondContact O-CD1 3.31Å
65E95.1Very high96.3Very high124 Ų12452.5 Ų52.558%0.57932%0.324SS*.THydrogen-bonded Turntrans-58128.6179.6-84.1176.5-166.500112R61R61-E65 HydrophobicContact CG-CG 4.49Å; R61-E65 WeakPolarHBondContact O-CG 3.41Å; R61-E65 PolarHBondContact O-N 3.33Å
66G92.2Very high96.3Very high80 Ų8049 Ų4983%0.82531%0.308SS*.THydrogen-bonded Turntrans87.9-4.517900000115.2L64L64-G66 PolarHBondContact O-N 3.44Å
67A94.3Very high96.2Very high38 Ų3847.2 Ų47.231%0.31430%0.298SS..  trans-79.2133.9173.400000111.5L64 V70 I97L64-A67 WeakPolarHBondContact O-CB 3.16Å; L64-A67 PolarHBondContact O-N 2.95Å; A67-V70 HydrophobicContact CB-CG2 4.02Å; A67-I97 HydrophobicContact CB-CD1 4.29Å; A67-I97 HydrophobicContact CB-CG2 4.49Å; A67-I97 VanDerWaalsContact O-CG1 3.31Å; A67-I97 WeakPolarHBondContact O-CG1 3.48Å
68D92.3Very high96.1Very high125 Ų12545.8 Ų45.867%0.66830%0.299SS*.SBendtrans-82.2-27.2172.2-62.3-68.4000112.2L98 F182D68-L98 PolarHBondContact O-N 2.88Å; D68-L98 VanDerWaalsContact O-N 3.11Å; D68-F182 HydrophobicContact CB-CE1 4.22Å; D68-F182 HydrophobicContact CB-CZ 4.12Å
69M94.4Very high96.1Very high31 Ų3140.2 Ų40.215%0.15327%0.271CS..EExtended strand (participates in β ladder)trans-145.2141.9-179.1-172.1177.3-16900111.4F71 L98 V100 I168 I172 F182M69-F71 HydrophobicContact CE-CD1 4.5Å; M69-F71 HydrophobicContact CE-CE1 3.6Å; M69-F71 HydrophobicContact CE-CE2 3.99Å; M69-F71 HydrophobicContact CE-CZ 3.3Å; M69-F71 HydrophobicContact CG-CE2 4.24Å; M69-F71 HydrophobicContact CG-CZ 4.48Å; M69-F71 HydrophobicContact SD-CE2 3.85Å; M69-F71 HydrophobicContact SD-CZ 3.69Å; M69-L98 CarbonylContact C-O 3.57Å; M69-L98 WeakPolarHBondContact CA-O 3.46Å; M69-L98 HydrophobicContact CB-CB 4.3Å; M69-L98 HydrophobicContact CE-CD2 3.84Å; M69-L98 HydrophobicContact CE-CG 4.25Å; M69-L98 HydrophobicContact CG-CB 4.14Å; M69-L98 HydrophobicContact CG-CD2 4.02Å; M69-L98 HydrophobicContact CG-CG 4.09Å; M69-L98 WeakPolarHBondContact CG-O 3.11Å; M69-L98 HydrophobicContact SD-CD2 3.91Å; M69-V100 HydrophobicContact CE-CB 4.26Å; M69-V100 HydrophobicContact CE-CG2 3.51Å; M69-I168 HydrophobicContact CE-CG2 3.97Å; M69-I172 HydrophobicContact SD-CD1 3.79Å; M69-F182 HydrophobicContact CB-CE2 3.87Å; M69-F182 HydrophobicContact CB-CZ 4.11Å; M69-F182 HydrophobicContact CG-CE2 4.41Å; M69-F182 HydrophobicContact SD-CE2 4.06Å
70V96.2Very high96.1Very high17 Ų1739.4 Ų39.410%0.10326%0.261CS..EExtended strand (participates in β ladder)trans-130.7132.1178.8159.60000110.4L64 A67 I72 A92 I97 L98 V100L64-V70 HydrophobicContact CD2-CB 4.45Å; L64-V70 HydrophobicContact CD2-CG1 4.04Å; L64-V70 HydrophobicContact CD2-CG2 3.57Å; A67-V70 HydrophobicContact CB-CG2 4.02Å; V70-I72 HydrophobicContact CG1-CD1 4.48Å; V70-I72 HydrophobicContact CG1-CG1 3.86Å; V70-A92 HydrophobicContact CG1-CB 4.49Å; V70-I97 HydrophobicContact CB-CG2 4.01Å; V70-I97 HydrophobicContact CG2-CD1 4.47Å; V70-I97 HydrophobicContact CG2-CG2 3.78Å; V70-L98 PolarHBondContact N-O 2.98Å; V70-V100 PolarHBondContact O-N 3.07Å
71F95.7Very high96Very high44 Ų4440.1 Ų40.119%0.19327%0.27CS..EExtended strand (participates in β ladder)trans-103.2120.8170.4-64.7-85.5000110.7M69 V100 V165 I168 A169M69-F71 HydrophobicContact CE-CD1 4.5Å; M69-F71 HydrophobicContact CE-CE1 3.6Å; M69-F71 HydrophobicContact CE-CE2 3.99Å; M69-F71 HydrophobicContact CE-CZ 3.3Å; M69-F71 HydrophobicContact CG-CE2 4.24Å; M69-F71 HydrophobicContact CG-CZ 4.48Å; M69-F71 HydrophobicContact SD-CE2 3.85Å; M69-F71 HydrophobicContact SD-CZ 3.69Å; F71-V100 CarbonylContact C-O 3.56Å; F71-V100 VanDerWaalsContact CA-O 3.26Å; F71-V100 WeakPolarHBondContact CA-O 3.39Å; F71-V100 HydrophobicContact CD1-CB 4.01Å; F71-V100 HydrophobicContact CD1-CG1 4.1Å; F71-V100 HydrophobicContact CE1-CB 4.19Å; F71-V100 HydrophobicContact CE1-CG1 4.22Å; F71-V165 HydrophobicContact CB-CG1 4.04Å; F71-V165 HydrophobicContact CB-CG2 3.99Å; F71-V165 HydrophobicContact CD1-CB 4.38Å; F71-V165 HydrophobicContact CD1-CG1 4.08Å; F71-V165 HydrophobicContact CD1-CG2 3.88Å; F71-V165 HydrophobicContact CD2-CG1 3.84Å; F71-V165 HydrophobicContact CE1-CG1 4.48Å; F71-V165 HydrophobicContact CE2-CG1 4.27Å; F71-V165 HydrophobicContact CG-CB 4.44Å; F71-V165 HydrophobicContact CG-CG1 3.72Å; F71-V165 HydrophobicContact CG-CG2 4.05Å; F71-I168 HydrophobicContact CE1-CB 3.93Å; F71-I168 HydrophobicContact CE1-CD1 3.87Å; F71-I168 HydrophobicContact CE1-CG2 3.84Å; F71-I168 HydrophobicContact CZ-CB 3.89Å; F71-I168 HydrophobicContact CZ-CG2 3.62Å; F71-A169 HydrophobicContact CE2-CB 4.32Å
72I97.4Very high96.1Very high14 Ų1436.9 Ų36.97%0.07226%0.258CS..EExtended strand (participates in β ladder)trans-101.9100176.7-56173.7000108.5V70 A85 V88 A89 T99 V100 A101 V102V70-I72 HydrophobicContact CG1-CD1 4.48Å; V70-I72 HydrophobicContact CG1-CG1 3.86Å; I72-A85 HydrophobicContact CG2-CB 3.91Å; I72-V88 HydrophobicContact CD1-CB 4.24Å; I72-V88 HydrophobicContact CD1-CG1 3.9Å; I72-V88 HydrophobicContact CG1-CG1 4.17Å; I72-A89 VanDerWaalsContact CD1-CA 3.42Å; I72-A89 HydrophobicContact CD1-CB 3.51Å; I72-T99 HydrophobicContact CD1-CG2 3.81Å; I72-V100 PolarHBondContact N-O 2.93Å; I72-A101 HydrophobicContact CB-CB 4.32Å; I72-A101 CarbonylContact O-C 3.42Å; I72-A101 WeakPolarHBondContact O-CA 3.22Å; I72-V102 PolarHBondContact O-N 3.41Å
73A95.9Very high96.1Very high46 Ų4634 Ų3438%0.3824%0.235SC..EExtended strand (participates in β ladder)trans-94.3119.9176.500000111.2M1 V102M1-A73 HydrophobicContact CE-CB 4.47Å; M1-A73 HydrophobicContact SD-CB 4.05Å; A73-V102 VanDerWaalsContact CA-O 3.27Å; A73-V102 WeakPolarHBondContact CA-O 3.42Å
74A96.5Very high96.3Very high13 Ų1333 Ų3311%0.10723%0.227CC..EExtended strand (participates in β ladder)trans-148.5144.1-17800000114.5M76 A85 V102 V103 T104A74-M76 HydrophobicContact CB-SD 4.3Å; A74-A85 HydrophobicContact CB-CB 4.25Å; A74-V102 PolarHBondContact N-O 3.42Å; A74-V103 HydrophobicContact CB-CG1 4.19Å; A74-V103 CarbonylContact O-C 3.59Å; A74-V103 WeakPolarHBondContact O-CA 3.36Å; A74-V103 WeakPolarHBondContact O-CB 3.45Å; A74-T104 PolarHBondContact O-N 3.3Å
75G96.3Very high96.3Very high42 Ų4232.3 Ų32.343%0.43322%0.224SC..EExtended strand (participates in β ladder)trans-83.4122.5164.400000111.3T104G75-T104 WeakPolarHBondContact CA-OG1 3.32Å
76M97.7Very high96.5Very high9 Ų926.9 Ų26.94%0.04420%0.2CC..THydrogen-bonded Turntrans-91.3157.4-178-54-58.4-82.300112.1A74 T82 V103 T104 A118 G121 I122 L125A74-M76 HydrophobicContact CB-SD 4.3Å; M76-T82 HydrophobicContact CE-CG2 4.35Å; M76-V103 HydrophobicContact CG-CB 3.68Å; M76-V103 HydrophobicContact CG-CG1 4.36Å; M76-V103 HydrophobicContact CG-CG2 3.94Å; M76-V103 HydrophobicContact SD-CB 4.13Å; M76-V103 HydrophobicContact SD-CG1 4.14Å; M76-T104 WeakPolarHBondContact CB-O 3.47Å; M76-T104 PolarHBondContact N-O 3.02Å; M76-A118 HydrophobicContact CB-CB 3.61Å; M76-G121 VanDerWaalsContact CE-C 3.43Å; M76-I122 HydrophobicContact CB-CD1 4.48Å; M76-I122 HydrophobicContact CE-CG1 3.92Å; M76-I122 HydrophobicContact CG-CD1 4.25Å; M76-I122 HydrophobicContact CG-CG1 4.01Å; M76-L125 HydrophobicContact CE-CD2 4.46Å
77G97.2Very high96.8Very high1 Ų123.3 Ų23.31%0.0116%0.161CC..THydrogen-bonded Turntrans94-10.4-176.900000114.9T82 R114G77-T82 PolarHBondContact N-OG1 3.43Å; G77-R114 WeakPolarHBondContact CA-O 3.38Å
78G96Very high97Very high21 Ų2122.4 Ų22.422%0.21615%0.152CC..SBendtrans-86.8-166.7172.600000113.3T82G78-T82 PolarHBondContact N-OG1 3.4Å; G78-T82 VanDerWaalsContact O-CB 3.24Å; G78-T82 WeakPolarHBondContact O-CB 3.27Å; G78-T82 PolarHBondContact O-OG1 3.17Å
79G96.5Very high97.3Very high6 Ų616.4 Ų16.46%0.06212%0.12CC..SBendtrans-85.8-61.9175.600000111.8N45 G83N45-G79 WeakPolarHBondContact O-CA 3.36Å; G79-G83 PolarHBondContact O-N 3.01Å
80T97.8Very high97.5Very high27 Ų2717.8 Ų17.817%0.16613%0.126CC..Hα-helixtrans-65.1-59.4-173.1-43.60000112.6T16 I32 T82 G83 A84T16-T80 HydrophobicContact CG2-CG2 4.07Å; T16-T80 PolarHBondContact OG1-OG1 3.46Å; I32-T80 HydrophobicContact CD1-CG2 4.32Å; T80-T82 VanDerWaalsContact C-N 3.31Å; T80-T82 PolarHBondContact O-N 3.31Å; T80-G83 PolarHBondContact O-N 3.42Å; T80-A84 HydrophobicContact CG2-CB 4.47Å; T80-A84 WeakPolarHBondContact O-CA 3.21Å; T80-A84 WeakPolarHBondContact O-CB 3.25Å; T80-A84 PolarHBondContact O-N 3.21Å
81G97.4Very high97.6Very high20 Ų2017 Ų1721%0.20612%0.121CC..Hα-helixtrans-58.1-43.2-177.100000112.8A85G81-A85 WeakPolarHBondContact O-CB 3.46Å; G81-A85 PolarHBondContact O-N 2.83Å
82T98.6Very high97.7Very high5 Ų514.9 Ų14.93%0.03111%0.112CC..Hα-helixtrans-71.5-38.1-177.9-53.80000113.5P46 M76 G77 G78 T80 P86 F117P46-T82 HydrophobicContact CB-CG2 3.96Å; P46-T82 HydrophobicContact CG-CG2 3.9Å; M76-T82 HydrophobicContact CE-CG2 4.35Å; G77-T82 PolarHBondContact N-OG1 3.43Å; G78-T82 PolarHBondContact N-OG1 3.4Å; G78-T82 VanDerWaalsContact O-CB 3.24Å; G78-T82 WeakPolarHBondContact O-CB 3.27Å; G78-T82 PolarHBondContact O-OG1 3.17Å; T80-T82 VanDerWaalsContact C-N 3.31Å; T80-T82 PolarHBondContact O-N 3.31Å; T82-P86 WeakPolarHBondContact O-CD 3.32Å; T82-F117 HydrophobicContact CG2-CB 4.47Å; T82-F117 WeakPolarHBondContact CG2-O 3.43Å
83G98.1Very high97.6Very high5 Ų517.4 Ų17.45%0.05212%0.123CC..Hα-helixtrans-85.7-39-179.500000114.2P46 R50 G79 T80P46-G83 VanDerWaalsContact O-CA 3.27Å; P46-G83 WeakPolarHBondContact O-CA 3.2Å; R50-G83 VanDerWaalsContact CA-O 3.3Å; R50-G83 WeakPolarHBondContact CA-O 3.49Å; G79-G83 PolarHBondContact O-N 3.01Å; T80-G83 PolarHBondContact O-N 3.42Å
84A98.6Very high97.6Very high6 Ų620 Ų205%0.0513%0.13CC..Hα-helixtrans-85.3-33.7-173.700000113.1I32 A53 T80 V87 V88I32-A84 HydrophobicContact CD1-CB 3.69Å; A53-A84 HydrophobicContact CB-CB 3.74Å; T80-A84 HydrophobicContact CG2-CB 4.47Å; T80-A84 WeakPolarHBondContact O-CA 3.21Å; T80-A84 WeakPolarHBondContact O-CB 3.25Å; T80-A84 PolarHBondContact O-N 3.21Å; A84-V87 WeakPolarHBondContact O-CB 3.14Å; A84-V87 PolarHBondContact O-N 2.82Å; A84-V88 WeakPolarHBondContact O-CG2 3.49Å; A84-V88 PolarHBondContact O-N 3.33Å
85A98.6Very high97.6Very high5 Ų522.4 Ų22.44%0.04114%0.141CC..Hα-helixtrans-57-43.5-17700000113.3I72 A74 G81 V87 V88 A89 L125I72-A85 HydrophobicContact CG2-CB 3.91Å; A74-A85 HydrophobicContact CB-CB 4.25Å; G81-A85 WeakPolarHBondContact O-CB 3.46Å; G81-A85 PolarHBondContact O-N 2.83Å; A85-V87 VanDerWaalsContact C-N 3.31Å; A85-V87 PolarHBondContact O-N 3.46Å; A85-V88 PolarHBondContact O-N 3.04Å; A85-A89 WeakPolarHBondContact O-CB 3.26Å; A85-A89 PolarHBondContact O-N 3.13Å; A85-L125 HydrophobicContact CB-CD1 4.31Å; A85-L125 HydrophobicContact CB-CD2 4.25Å
86P98.5Very high97.6Very high10 Ų1023.1 Ų23.17%0.06515%0.148CC..Hα-helixtrans-60.6-37.7175-22.832.9000113.4T82 A89 E90 E124 L125T82-P86 WeakPolarHBondContact O-CD 3.32Å; P86-A89 PolarHBondContact O-N 3.35Å; P86-E90 WeakPolarHBondContact O-CB 3.33Å; P86-E90 PolarHBondContact O-N 2.87Å; P86-E124 HydrophobicContact CB-CB 4.41Å; P86-E124 HydrophobicContact CB-CG 3.89Å; P86-E124 HydrophobicContact CG-CB 4.15Å; P86-E124 HydrophobicContact CG-CG 4.1Å; P86-L125 HydrophobicContact CG-CB 4.12Å
87V98.7Very high97.5Very high4 Ų423.1 Ų23.12%0.02415%0.148CC..Hα-helixtrans-67.8-44.4178.61770000110.8R50 A53 R57 L60 A84 A85 A89 E90 V91R50-V87 HydrophobicContact CG-CG2 3.98Å; A53-V87 HydrophobicContact CB-CB 3.7Å; A53-V87 HydrophobicContact CB-CG1 3.68Å; A53-V87 HydrophobicContact CB-CG2 4.07Å; R57-V87 HydrophobicContact CG-CG1 4.22Å; L60-V87 HydrophobicContact CD1-CG1 4.4Å; A84-V87 WeakPolarHBondContact O-CB 3.14Å; A84-V87 PolarHBondContact O-N 2.82Å; A85-V87 VanDerWaalsContact C-N 3.31Å; A85-V87 PolarHBondContact O-N 3.46Å; V87-A89 VanDerWaalsContact C-N 3.28Å; V87-A89 PolarHBondContact O-N 3.31Å; V87-E90 PolarHBondContact O-N 3.31Å; V87-V91 WeakPolarHBondContact O-CG2 3.26Å; V87-V91 PolarHBondContact O-N 2.84Å
88V98.6Very high97.4Very high19 Ų1923.1 Ų23.112%0.11515%0.148CC..Hα-helixtrans-60.1-42.4174.8177.80000110.6L60 L64 I72 A84 A85 V91 A92L60-V88 HydrophobicContact CD1-CG2 3.98Å; L60-V88 HydrophobicContact CD2-CG2 4.05Å; L64-V88 HydrophobicContact CD1-CG1 4.4Å; I72-V88 HydrophobicContact CD1-CB 4.24Å; I72-V88 HydrophobicContact CD1-CG1 3.9Å; I72-V88 HydrophobicContact CG1-CG1 4.17Å; A84-V88 WeakPolarHBondContact O-CG2 3.49Å; A84-V88 PolarHBondContact O-N 3.33Å; A85-V88 PolarHBondContact O-N 3.04Å; V88-V91 PolarHBondContact O-N 2.95Å; V88-A92 WeakPolarHBondContact O-CB 3.45Å; V88-A92 PolarHBondContact O-N 2.73Å
89A98.3Very high97.4Very high0 Ų022.1 Ų22.10%014%0.138CC..Hα-helixtrans-64.7-43178.300000112.4I72 A85 P86 V87 A92 K93 T99 L125 H128 V129I72-A89 VanDerWaalsContact CD1-CA 3.42Å; I72-A89 HydrophobicContact CD1-CB 3.51Å; A85-A89 WeakPolarHBondContact O-CB 3.26Å; A85-A89 PolarHBondContact O-N 3.13Å; P86-A89 PolarHBondContact O-N 3.35Å; V87-A89 VanDerWaalsContact C-N 3.28Å; V87-A89 PolarHBondContact O-N 3.31Å; A89-A92 PolarHBondContact O-N 3.26Å; A89-K93 WeakPolarHBondContact O-CB 3.42Å; A89-K93 PolarHBondContact O-N 3.25Å; A89-T99 HydrophobicContact CB-CG2 4.11Å; A89-L125 HydrophobicContact CB-CD1 3.58Å; A89-H128 CarbonylContact C-O 3.59Å; A89-H128 HydrophobicContact CB-CB 3.83Å; A89-H128 WeakPolarHBondContact CB-O 3.3Å; A89-V129 HydrophobicContact CB-CG1 3.72Å
90E98.2Very high97.4Very high59 Ų5921.8 Ų21.828%0.27614%0.135SC..Hα-helixtrans-59.3-48175.1-174.7-171.9-155.300111R57 P86 V87 A92 K93 D94 H128R57-E90 IonicContact CZ-OE2 2.91Å; R57-E90 VanDerWaalsContact CZ-OE2 3.32Å; R57-E90 IonicContact NH1-OE2 3.27Å; R57-E90 PolarHBondContact NH1-OE2 2.79Å; R57-E90 IonicContact NH2-OE1 3.54Å; R57-E90 IonicContact NH2-OE2 3.96Å; R57-E90 PolarHBondContact NH2-OE2 2.68Å; P86-E90 WeakPolarHBondContact O-CB 3.33Å; P86-E90 PolarHBondContact O-N 2.87Å; V87-E90 PolarHBondContact O-N 3.31Å; E90-A92 VanDerWaalsContact C-N 3.34Å; E90-A92 PolarHBondContact O-N 3.24Å; E90-K93 PolarHBondContact O-N 2.89Å; E90-D94 VanDerWaalsContact O-CG 3.3Å; E90-D94 PolarHBondContact O-N 3.11Å; E90-H128 HydrophobicContact CB-CB 4.33Å
91V98.5Very high97.3Very high0 Ų020.5 Ų20.50%013%0.127CC..Hα-helixtrans-61.2-42.1177.5175.90000111.5R61 L64 V87 V88 D94 L95R61-V91 HydrophobicContact CB-CG1 3.83Å; L64-V91 HydrophobicContact CD1-CB 4.25Å; L64-V91 HydrophobicContact CD1-CG1 3.87Å; V87-V91 WeakPolarHBondContact O-CG2 3.26Å; V87-V91 PolarHBondContact O-N 2.84Å; V88-V91 PolarHBondContact O-N 2.95Å; V91-D94 PolarHBondContact O-N 2.84Å; V91-L95 HydrophobicContact CG1-CD1 4.39Å; V91-L95 WeakPolarHBondContact O-CG 3.25Å; V91-L95 PolarHBondContact O-N 2.82Å
92A98.3Very high97.3Very high0 Ų019.6 Ų19.60%012%0.117CC..Hα-helixtrans-63.6-43.2177.300000112.1L64 V70 V88 A89 E90 L95 G96 I97 T99L64-A92 HydrophobicContact CD1-CB 4.16Å; V70-A92 HydrophobicContact CG1-CB 4.49Å; V88-A92 WeakPolarHBondContact O-CB 3.45Å; V88-A92 PolarHBondContact O-N 2.73Å; A89-A92 PolarHBondContact O-N 3.26Å; E90-A92 VanDerWaalsContact C-N 3.34Å; E90-A92 PolarHBondContact O-N 3.24Å; A92-L95 WeakPolarHBondContact O-CB 3.3Å; A92-L95 PolarHBondContact O-N 2.87Å; A92-G96 PolarHBondContact O-N 2.77Å; A92-I97 HydrophobicContact CB-CB 4.42Å; A92-I97 WeakPolarHBondContact O-CB 3.46Å; A92-I97 WeakPolarHBondContact O-CG1 3.48Å; A92-I97 PolarHBondContact O-N 3.07Å; A92-I97 VanDerWaalsContact O-N 3.1Å; A92-T99 HydrophobicContact CB-CG2 4.03Å; A92-T99 WeakPolarHBondContact CB-OG1 3.34Å
93K94.5Very high97.2Very high68 Ų6819.3 Ų19.330%0.29612%0.116SC..Hα-helixtrans-63.3-41.4175.4-82.2-68.3-162.3167.10113.1A89 E90 L95 G96 H128 V129 D130A89-K93 WeakPolarHBondContact O-CB 3.42Å; A89-K93 PolarHBondContact O-N 3.25Å; E90-K93 PolarHBondContact O-N 2.89Å; K93-L95 PolarHBondContact O-N 3.31Å; K93-G96 PolarHBondContact O-N 3.03Å; K93-H128 WeakPolarHBondContact CG-O 3.4Å; K93-V129 VanDerWaalsContact CE-C 3.44Å; K93-D130 WeakPolarHBondContact CE-OD2 3.5Å; K93-D130 IonicContact NZ-OD1 2.91Å; K93-D130 PolarHBondContact NZ-OD1 2.85Å; K93-D130 IonicContact NZ-OD2 3.86Å; K93-D130 PolarHBondContact NZ-OD2 3.43Å
94D96.5Very high97.1Very high101 Ų10119.7 Ų19.754%0.5412%0.117SC..Hα-helixtrans-60.3-30.2176.2-75.1-14.3000111.9E90 V91 G96E90-D94 VanDerWaalsContact O-CG 3.3Å; E90-D94 PolarHBondContact O-N 3.11Å; V91-D94 PolarHBondContact O-N 2.84Å; D94-G96 VanDerWaalsContact C-N 3.28Å
95L97.4Very high97Very high62 Ų6221.2 Ų21.233%0.32512%0.122SC..THydrogen-bonded Turntrans-82.2-2174.8-67.7172.6000113.4R61 L64 V91 A92 K93 I97R61-L95 HydrophobicContact CG-CD1 4.23Å; R61-L95 HydrophobicContact CG-CD2 4.2Å; L64-L95 HydrophobicContact CB-CD1 3.75Å; V91-L95 HydrophobicContact CG1-CD1 4.39Å; V91-L95 WeakPolarHBondContact O-CG 3.25Å; V91-L95 PolarHBondContact O-N 2.82Å; A92-L95 WeakPolarHBondContact O-CB 3.3Å; A92-L95 PolarHBondContact O-N 2.87Å; K93-L95 PolarHBondContact O-N 3.31Å; L95-I97 VanDerWaalsContact C-N 3.34Å; L95-I97 HydrophobicContact CB-CD1 3.7Å; L95-I97 HydrophobicContact CB-CG1 3.73Å; L95-I97 HydrophobicContact CD1-CD1 3.9Å; L95-I97 HydrophobicContact CG-CD1 4.48Å
96G95.2Very high96.8Very high58 Ų5821.1 Ų21.160%0.59812%0.121SC*.THydrogen-bonded Turntrans77.316.5-179.500000114.7A92 K93 D94A92-G96 PolarHBondContact O-N 2.77Å; K93-G96 PolarHBondContact O-N 3.03Å; D94-G96 VanDerWaalsContact C-N 3.28Å
97I96.5Very high96.6Very high8 Ų820.7 Ų20.74%0.04112%0.118CC..  trans-82.4138.1-174.5-52.6177.4000110L64 A67 V70 A92 L95 T99L64-I97 HydrophobicContact CB-CD1 4.05Å; L64-I97 VanDerWaalsContact O-CD1 3.25Å; L64-I97 WeakPolarHBondContact O-CD1 3.31Å; A67-I97 HydrophobicContact CB-CD1 4.29Å; A67-I97 HydrophobicContact CB-CG2 4.49Å; A67-I97 VanDerWaalsContact O-CG1 3.31Å; A67-I97 WeakPolarHBondContact O-CG1 3.48Å; V70-I97 HydrophobicContact CB-CG2 4.01Å; V70-I97 HydrophobicContact CG2-CD1 4.47Å; V70-I97 HydrophobicContact CG2-CG2 3.78Å; A92-I97 HydrophobicContact CB-CB 4.42Å; A92-I97 WeakPolarHBondContact O-CB 3.46Å; A92-I97 WeakPolarHBondContact O-CG1 3.48Å; A92-I97 PolarHBondContact O-N 3.07Å; A92-I97 VanDerWaalsContact O-N 3.1Å; L95-I97 VanDerWaalsContact C-N 3.34Å; L95-I97 HydrophobicContact CB-CD1 3.7Å; L95-I97 HydrophobicContact CB-CG1 3.73Å; L95-I97 HydrophobicContact CD1-CD1 3.9Å; L95-I97 HydrophobicContact CG-CD1 4.48Å; I97-T99 PolarHBondContact O-N 3.26Å; I97-T99 PolarHBondContact O-OG1 3.27Å
98L95.1Very high96.4Very high1 Ų125.8 Ų25.81%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-63109.6170.3177.162.1000109.1D68 M69 V70 D130 F182 R186 M189D68-L98 PolarHBondContact O-N 2.88Å; D68-L98 VanDerWaalsContact O-N 3.11Å; M69-L98 CarbonylContact C-O 3.57Å; M69-L98 WeakPolarHBondContact CA-O 3.46Å; M69-L98 HydrophobicContact CB-CB 4.3Å; M69-L98 HydrophobicContact CE-CD2 3.84Å; M69-L98 HydrophobicContact CE-CG 4.25Å; M69-L98 HydrophobicContact CG-CB 4.14Å; M69-L98 HydrophobicContact CG-CD2 4.02Å; M69-L98 HydrophobicContact CG-CG 4.09Å; M69-L98 WeakPolarHBondContact CG-O 3.11Å; M69-L98 HydrophobicContact SD-CD2 3.91Å; V70-L98 PolarHBondContact N-O 2.98Å; L98-D130 HydrophobicContact CD1-CB 3.77Å; L98-F182 HydrophobicContact CB-CZ 4.14Å; L98-F182 HydrophobicContact CD2-CE2 3.89Å; L98-F182 HydrophobicContact CD2-CZ 3.86Å; L98-R186 HydrophobicContact CD1-CG 4.26Å; L98-R186 HydrophobicContact CD2-CB 4.05Å; L98-R186 HydrophobicContact CD2-CG 4.15Å; L98-M189 HydrophobicContact CD1-CB 4.26Å; L98-M189 HydrophobicContact CD2-CB 4.44Å
99T96.2Very high96.1Very high0 Ų030.5 Ų30.50%017%0.165CC..EExtended strand (participates in β ladder)trans-110110-168.1-56.30000110.2I72 A89 A92 I97 V129 D130I72-T99 HydrophobicContact CD1-CG2 3.81Å; A89-T99 HydrophobicContact CB-CG2 4.11Å; A92-T99 HydrophobicContact CB-CG2 4.03Å; A92-T99 WeakPolarHBondContact CB-OG1 3.34Å; I97-T99 PolarHBondContact O-N 3.26Å; I97-T99 PolarHBondContact O-OG1 3.27Å; T99-V129 HydrophobicContact CG2-CB 4.5Å; T99-V129 HydrophobicContact CG2-CG1 4.04Å; T99-D130 PolarHBondContact N-OD2 2.97Å; T99-D130 PolarHBondContact O-N 3.5Å
100V95.4Very high95.8Very high0 Ų032.6 Ų32.60%017%0.174CC..EExtended strand (participates in β ladder)trans-113.2124.6178.8178.80000109.3M69 V70 F71 I72 V102 S131 M189M69-V100 HydrophobicContact CE-CB 4.26Å; M69-V100 HydrophobicContact CE-CG2 3.51Å; V70-V100 PolarHBondContact O-N 3.07Å; F71-V100 CarbonylContact C-O 3.56Å; F71-V100 VanDerWaalsContact CA-O 3.26Å; F71-V100 WeakPolarHBondContact CA-O 3.39Å; F71-V100 HydrophobicContact CD1-CB 4.01Å; F71-V100 HydrophobicContact CD1-CG1 4.1Å; F71-V100 HydrophobicContact CE1-CB 4.19Å; F71-V100 HydrophobicContact CE1-CG1 4.22Å; I72-V100 PolarHBondContact N-O 2.93Å; V100-V102 HydrophobicContact CG1-CG2 4.38Å; V100-S131 WeakPolarHBondContact CA-O 3.27Å; V100-M189 HydrophobicContact CG1-CE 4.2Å; V100-M189 HydrophobicContact CG2-CB 4.43Å; V100-M189 HydrophobicContact CG2-CE 4.25Å
101A96.8Very high95.6Very high0 Ų031.1 Ų31.10%018%0.175CC..EExtended strand (participates in β ladder)trans-101.5133.8173.700000110.7I72 V103 L125 V129 S131 L132 I133I72-A101 HydrophobicContact CB-CB 4.32Å; I72-A101 CarbonylContact O-C 3.42Å; I72-A101 WeakPolarHBondContact O-CA 3.22Å; A101-V103 HydrophobicContact CB-CG1 4.29Å; A101-L125 HydrophobicContact CB-CD1 4.29Å; A101-L125 HydrophobicContact CB-CD2 3.71Å; A101-L125 HydrophobicContact CB-CG 4.09Å; A101-V129 HydrophobicContact CB-CG1 3.82Å; A101-S131 PolarHBondContact N-O 3.3Å; A101-L132 HydrophobicContact CB-CD1 3.55Å; A101-I133 PolarHBondContact O-N 2.87Å
102V96.2Very high95.5Very high0 Ų040.4 Ų40.40%022%0.215CC..EExtended strand (participates in β ladder)trans-121.9106.3173.5-165.10000107.7I72 A73 A74 V100 I133 I135 L161 A164 V165I72-V102 PolarHBondContact O-N 3.41Å; A73-V102 VanDerWaalsContact CA-O 3.27Å; A73-V102 WeakPolarHBondContact CA-O 3.42Å; A74-V102 PolarHBondContact N-O 3.42Å; V100-V102 HydrophobicContact CG1-CG2 4.38Å; V102-I133 CarbonylContact C-O 3.56Å; V102-I133 WeakPolarHBondContact CA-O 3.39Å; V102-I133 HydrophobicContact CB-CB 4.38Å; V102-I133 HydrophobicContact CG1-CB 3.98Å; V102-I133 HydrophobicContact CG1-CG2 3.92Å; V102-I133 HydrophobicContact CG2-CB 4.31Å; V102-I133 HydrophobicContact CG2-CD1 4.16Å; V102-I135 HydrophobicContact CG1-CD1 3.83Å; V102-L161 HydrophobicContact CB-CD2 4.06Å; V102-L161 HydrophobicContact CG1-CD2 3.67Å; V102-L161 WeakPolarHBondContact O-CD2 3.47Å; V102-A164 HydrophobicContact CG1-CB 3.59Å; V102-A164 HydrophobicContact CG2-CB 4.36Å; V102-V165 HydrophobicContact CB-CG2 4.41Å; V102-V165 HydrophobicContact CG2-CG2 3.8Å
103V96.8Very high95.3Very high0 Ų047.6 Ų47.60%025%0.246CC..EExtended strand (participates in β ladder)trans-129.5142-167.5-57.60000112.6A74 M76 A101 I122 L125 L132 I133 T134 I135A74-V103 HydrophobicContact CB-CG1 4.19Å; A74-V103 CarbonylContact O-C 3.59Å; A74-V103 WeakPolarHBondContact O-CA 3.36Å; A74-V103 WeakPolarHBondContact O-CB 3.45Å; M76-V103 HydrophobicContact CG-CB 3.68Å; M76-V103 HydrophobicContact CG-CG1 4.36Å; M76-V103 HydrophobicContact CG-CG2 3.94Å; M76-V103 HydrophobicContact SD-CB 4.13Å; M76-V103 HydrophobicContact SD-CG1 4.14Å; A101-V103 HydrophobicContact CB-CG1 4.29Å; V103-I122 HydrophobicContact CG2-CD1 4.3Å; V103-I122 HydrophobicContact CG2-CG1 4.09Å; V103-L125 HydrophobicContact CG1-CD2 3.73Å; V103-L132 HydrophobicContact CG1-CD1 4.44Å; V103-L132 HydrophobicContact CG2-CD1 3.81Å; V103-I133 PolarHBondContact N-O 3.24Å; V103-T134 HydrophobicContact CG2-CG2 4.16Å; V103-T134 CarbonylContact O-C 3.52Å; V103-T134 WeakPolarHBondContact O-CA 3.39Å; V103-I135 PolarHBondContact O-N 3.26Å
104T96Very high95.5Very high12 Ų1249.5 Ų49.57%0.07425%0.252CS..EExtended strand (participates in β ladder)trans-96.5133.3176.762.40000111.1A74 G75 M76 I135 N137 A157 L161A74-T104 PolarHBondContact O-N 3.3Å; G75-T104 WeakPolarHBondContact CA-OG1 3.32Å; M76-T104 WeakPolarHBondContact CB-O 3.47Å; M76-T104 PolarHBondContact N-O 3.02Å; T104-I135 CarbonylContact C-O 3.57Å; T104-I135 VanDerWaalsContact CA-O 3.28Å; T104-I135 WeakPolarHBondContact CA-O 3.15Å; T104-I135 HydrophobicContact CG2-CB 4.02Å; T104-I135 HydrophobicContact CG2-CD1 4.23Å; T104-I135 HydrophobicContact CG2-CG2 4.22Å; T104-N137 WeakPolarHBondContact CB-OD1 3.26Å; T104-A157 HydrophobicContact CG2-CB 4.19Å; T104-L161 HydrophobicContact CG2-CD1 3.69Å; T104-L161 HydrophobicContact CG2-CD2 4.04Å; T104-L161 HydrophobicContact CG2-CG 3.73Å
105K96.2Very high95.5Very high39 Ų3946.6 Ų46.617%0.1724%0.235CC..EExtended strand (participates in β ladder)trans-78.8141.7163.6-63.1-174.8176.4-165.10109.2M115 E119 I122 I135 N137K105-M115 HydrophobicContact CB-SD 4.37Å; K105-E119 WeakPolarHBondContact CE-OE1 3.13Å; K105-E119 IonicContact NZ-OE1 2.67Å; K105-E119 PolarHBondContact NZ-OE1 2.89Å; K105-E119 IonicContact NZ-OE2 2.63Å; K105-E119 PolarHBondContact NZ-OE2 3.07Å; K105-I122 HydrophobicContact CD-CD1 4.16Å; K105-I122 VanDerWaalsContact CE-CD1 3.48Å; K105-I122 HydrophobicContact CG-CD1 3.63Å; K105-I135 PolarHBondContact N-O 3.27Å; K105-N137 WeakPolarHBondContact O-CB 3.41Å; K105-N137 PolarHBondContact O-N 2.74Å; K105-N137 PolarHBondContact O-ND2 3.22Å; K105-N137 VanDerWaalsContact O-ND2 3.12Å
106P95.9Very high95.6Very high3 Ų345.9 Ų45.92%0.01924%0.239CC..PPolyproline II helixtrans-64.2159.4-177.928.8-35.3000111.1E110 R114 M115 A118P106-E110 WeakPolarHBondContact CA-OE1 3.28Å; P106-E110 HydrophobicContact CB-CB 4.28Å; P106-E110 HydrophobicContact CB-CG 4.5Å; P106-E110 WeakPolarHBondContact CB-OE1 3.34Å; P106-R114 HydrophobicContact CB-CB 4.39Å; P106-R114 HydrophobicContact CG-CB 4.19Å; P106-M115 HydrophobicContact CG-CB 4.38Å; P106-M115 HydrophobicContact CG-CE 4.21Å; P106-M115 HydrophobicContact CG-SD 4.12Å; P106-M115 WeakPolarHBondContact O-CE 3.27Å; P106-A118 VanDerWaalsContact CD-CB 3.43Å; P106-A118 HydrophobicContact CG-CB 4.07Å
107F94.3Very high95.7Very high1 Ų145.2 Ų45.20%0.00422%0.219CC..PPolyproline II helixtrans-67.8150.8170.3-62.6-90.7000110.8F109 E110 N137 L141 A153 F154F107-F109 HydrophobicContact CB-CD1 3.46Å; F107-F109 VanDerWaalsContact CB-CD1 3.46Å; F107-F109 HydrophobicContact CB-CD2 4.36Å; F107-F109 HydrophobicContact CB-CE1 3.17Å; F107-F109 HydrophobicContact CB-CE2 4.1Å; F107-F109 HydrophobicContact CB-CG 4.05Å; F107-F109 HydrophobicContact CB-CZ 3.51Å; F107-F109 HydrophobicContact CD1-CD1 4.43Å; F107-F109 AromaticContact CD1-CE1 3.63Å; F107-F109 HydrophobicContact CD1-CE1 3.63Å; F107-F109 HydrophobicContact CD1-CZ 4.21Å; F107-F109 AromaticContact CD2-CE1 3.77Å; F107-F109 HydrophobicContact CD2-CE1 3.77Å; F107-F109 HydrophobicContact CD2-CE2 4.37Å; F107-F109 AromaticContact CD2-CZ 3.47Å; F107-F109 HydrophobicContact CD2-CZ 3.47Å; F107-F109 VanDerWaalsContact CD2-CZ 3.47Å; F107-F109 HydrophobicContact CE1-CE1 4.4Å; F107-F109 HydrophobicContact CE2-CZ 4.21Å; F107-F109 HydrophobicContact CG-CD1 4.06Å; F107-F109 AromaticContact CG-CE1 3.26Å; F107-F109 HydrophobicContact CG-CE1 3.26Å; F107-F109 HydrophobicContact CG-CE2 4.45Å; F107-F109 AromaticContact CG-CZ 3.48Å; F107-F109 HydrophobicContact CG-CZ 3.48Å; F107-F109 VanDerWaalsContact CG-CZ 3.48Å; F107-F109 PolarHBondContact O-N 3.13Å; F107-F109 VanDerWaalsContact O-N 3.11Å; F107-E110 HydrophobicContact CB-CG 4.23Å; F107-E110 WeakPolarHBondContact CD2-OE1 3.19Å; F107-E110 PolarHBondContact N-OE1 3.1Å; F107-E110 WeakPolarHBondContact O-CB 3.25Å; F107-E110 PolarHBondContact O-N 3.42Å; F107-N137 HydrophobicContact CD1-CB 3.74Å; F107-N137 HydrophobicContact CD2-CB 3.87Å; F107-N137 HydrophobicContact CE1-CB 3.69Å; F107-N137 WeakPolarHBondContact CE1-O 3.32Å; F107-N137 HydrophobicContact CE2-CB 3.81Å; F107-N137 HydrophobicContact CG-CB 3.83Å; F107-N137 HydrophobicContact CZ-CB 3.71Å; F107-L141 HydrophobicContact CD1-CD1 4.13Å; F107-L141 HydrophobicContact CD1-CD2 4.04Å; F107-L141 HydrophobicContact CD1-CG 4.05Å; F107-L141 HydrophobicContact CE1-CD2 3.69Å; F107-L141 HydrophobicContact CE1-CG 3.96Å; F107-A153 HydrophobicContact CE1-CB 4.33Å; F107-A153 HydrophobicContact CE2-CB 4.25Å; F107-A153 HydrophobicContact CZ-CB 3.71Å; F107-F154 HydrophobicContact CD2-CE1 4.03Å; F107-F154 AromaticContact CE2-CD1 3.93Å; F107-F154 HydrophobicContact CE2-CD1 3.93Å; F107-F154 AromaticContact CE2-CE1 3.87Å; F107-F154 HydrophobicContact CE2-CE1 3.87Å
108N93.9Very high95.8Very high110 Ų11044.8 Ų44.859%0.58822%0.217SC*.G310 helixtrans-54.2-34.8176.3-77.4-48.5000113.5E110 G111 D138N108-E110 VanDerWaalsContact C-N 3.26Å; N108-E110 PolarHBondContact O-N 2.6Å; N108-G111 PolarHBondContact O-N 3.48Å; N108-D138 WeakPolarHBondContact CB-OD1 3.25Å; N108-D138 VanDerWaalsContact CG-CG 3.49Å; N108-D138 VanDerWaalsContact CG-OD1 3.3Å; N108-D138 PolarHBondContact N-OD1 3.22Å; N108-D138 PolarHBondContact N-OD2 3.02Å; N108-D138 PolarHBondContact ND2-OD1 3.09Å; N108-D138 PolarHBondContact ND2-OD2 3.11Å; N108-D138 VanDerWaalsContact ND2-OD2 3.11Å
109F91Very high95.9Very high119 Ų11948.2 Ų48.252%0.52223%0.233SC..G310 helixtrans-69.2-20.3-18066.1-107.9000113.6F107 G111 L150F107-F109 HydrophobicContact CB-CD1 3.46Å; F107-F109 VanDerWaalsContact CB-CD1 3.46Å; F107-F109 HydrophobicContact CB-CD2 4.36Å; F107-F109 HydrophobicContact CB-CE1 3.17Å; F107-F109 HydrophobicContact CB-CE2 4.1Å; F107-F109 HydrophobicContact CB-CG 4.05Å; F107-F109 HydrophobicContact CB-CZ 3.51Å; F107-F109 HydrophobicContact CD1-CD1 4.43Å; F107-F109 AromaticContact CD1-CE1 3.63Å; F107-F109 HydrophobicContact CD1-CE1 3.63Å; F107-F109 HydrophobicContact CD1-CZ 4.21Å; F107-F109 AromaticContact CD2-CE1 3.77Å; F107-F109 HydrophobicContact CD2-CE1 3.77Å; F107-F109 HydrophobicContact CD2-CE2 4.37Å; F107-F109 AromaticContact CD2-CZ 3.47Å; F107-F109 HydrophobicContact CD2-CZ 3.47Å; F107-F109 VanDerWaalsContact CD2-CZ 3.47Å; F107-F109 HydrophobicContact CE1-CE1 4.4Å; F107-F109 HydrophobicContact CE2-CZ 4.21Å; F107-F109 HydrophobicContact CG-CD1 4.06Å; F107-F109 AromaticContact CG-CE1 3.26Å; F107-F109 HydrophobicContact CG-CE1 3.26Å; F107-F109 HydrophobicContact CG-CE2 4.45Å; F107-F109 AromaticContact CG-CZ 3.48Å; F107-F109 HydrophobicContact CG-CZ 3.48Å; F107-F109 VanDerWaalsContact CG-CZ 3.48Å; F107-F109 PolarHBondContact O-N 3.13Å; F107-F109 VanDerWaalsContact O-N 3.11Å; F109-G111 PolarHBondContact O-N 3.33Å; F109-L150 HydrophobicContact CE2-CD1 3.62Å; F109-L150 HydrophobicContact CZ-CD1 3.49Å; F109-L150 VanDerWaalsContact CZ-CD1 3.49Å
110E92.6Very high95.9Very high44 Ų4454.1 Ų54.121%0.20626%0.261CS..G310 helixtrans-70.8-15.5177.7-64.3-173.4-114.900112.5P106 F107 N108 R114P106-E110 WeakPolarHBondContact CA-OE1 3.28Å; P106-E110 HydrophobicContact CB-CB 4.28Å; P106-E110 HydrophobicContact CB-CG 4.5Å; P106-E110 WeakPolarHBondContact CB-OE1 3.34Å; F107-E110 HydrophobicContact CB-CG 4.23Å; F107-E110 WeakPolarHBondContact CD2-OE1 3.19Å; F107-E110 PolarHBondContact N-OE1 3.1Å; F107-E110 WeakPolarHBondContact O-CB 3.25Å; F107-E110 PolarHBondContact O-N 3.42Å; N108-E110 VanDerWaalsContact C-N 3.26Å; N108-E110 PolarHBondContact O-N 2.6Å; E110-R114 IonicContact OE2-CZ 3.81Å; E110-R114 IonicContact OE2-NH1 2.77Å; E110-R114 PolarHBondContact OE2-NH1 2.85Å
111G94.4Very high96Very high28 Ų2854.4 Ų54.429%0.28926%0.264SS..  trans110.9148.2168.700000114.1N108 F109 K113 R114 M115N108-G111 PolarHBondContact O-N 3.48Å; F109-G111 PolarHBondContact O-N 3.33Å; G111-K113 PolarHBondContact O-N 2.85Å; G111-K113 VanDerWaalsContact O-N 3.13Å; G111-R114 PolarHBondContact O-N 3.49Å; G111-M115 PolarHBondContact O-N 3.16Å
112K95.6Very high96Very high194 Ų19454.4 Ų54.484%0.84326%0.264SS*.Hα-helixtrans-56.2-33.6-175.9-63.3-174.3178.5-175.70113.8M115 A116K112-M115 PolarHBondContact O-N 2.85Å; K112-A116 WeakPolarHBondContact O-CB 3.47Å; K112-A116 PolarHBondContact O-N 3.38Å
113K95.8Very high96Very high151 Ų15157.7 Ų57.766%0.65728%0.284SS*.Hα-helixtrans-64.7-42.6178.8-172.7178.6-179.8-176.50111.8G111 A116 F117G111-K113 PolarHBondContact O-N 2.85Å; G111-K113 VanDerWaalsContact O-N 3.13Å; K113-A116 PolarHBondContact O-N 3.25Å; K113-F117 HydrophobicContact CD-CE2 4.28Å; K113-F117 HydrophobicContact CD-CZ 4.46Å; K113-F117 VanDerWaalsContact CE-CZ 3.43Å; K113-F117 HydrophobicContact CG-CD2 4.37Å; K113-F117 HydrophobicContact CG-CE2 3.99Å; K113-F117 HydrophobicContact CG-CZ 4.21Å; K113-F117 WeakPolarHBondContact O-CG 3.49Å; K113-F117 PolarHBondContact O-N 3.01Å
114R97.1Very high96Very high108 Ų10860.1 Ų60.141%0.40830%0.295SS..Hα-helixtrans-64.8-43.9175.9-76.3-174.3167.9-152-0.4110.9G77 P106 E110 G111 A116 F117 A118G77-R114 WeakPolarHBondContact CA-O 3.38Å; P106-R114 HydrophobicContact CB-CB 4.39Å; P106-R114 HydrophobicContact CG-CB 4.19Å; E110-R114 IonicContact OE2-CZ 3.81Å; E110-R114 IonicContact OE2-NH1 2.77Å; E110-R114 PolarHBondContact OE2-NH1 2.85Å; G111-R114 PolarHBondContact O-N 3.49Å; R114-A116 VanDerWaalsContact C-N 3.34Å; R114-A116 PolarHBondContact O-N 3.17Å; R114-F117 PolarHBondContact O-N 3.41Å; R114-A118 WeakPolarHBondContact O-CB 3.45Å; R114-A118 PolarHBondContact O-N 3.45Å
115M97.8Very high96.1Very high40 Ų4059.6 Ų59.620%0.19729%0.292CS..Hα-helixtrans-59.3-45.1175.3-171.263.577.900111.8K105 P106 G111 K112 F117 A118 E119K105-M115 HydrophobicContact CB-SD 4.37Å; P106-M115 HydrophobicContact CG-CB 4.38Å; P106-M115 HydrophobicContact CG-CE 4.21Å; P106-M115 HydrophobicContact CG-SD 4.12Å; P106-M115 WeakPolarHBondContact O-CE 3.27Å; G111-M115 PolarHBondContact O-N 3.16Å; K112-M115 PolarHBondContact O-N 2.85Å; M115-F117 PolarHBondContact O-N 3.01Å; M115-A118 WeakPolarHBondContact O-CB 3.38Å; M115-A118 PolarHBondContact O-N 3.4Å; M115-A118 VanDerWaalsContact O-N 3.1Å; M115-E119 WeakPolarHBondContact O-CG 3.24Å; M115-E119 PolarHBondContact O-N 3.39Å
116A97.9Very high95.9Very high48 Ų4859.9 Ų59.940%0.39730%0.299SS..Hα-helixtrans-60.5-42.9177.400000112.6K112 K113 R114 A118 Q120K112-A116 WeakPolarHBondContact O-CB 3.47Å; K112-A116 PolarHBondContact O-N 3.38Å; K113-A116 PolarHBondContact O-N 3.25Å; R114-A116 VanDerWaalsContact C-N 3.34Å; R114-A116 PolarHBondContact O-N 3.17Å; A116-A118 VanDerWaalsContact C-N 3.33Å; A116-Q120 VanDerWaalsContact O-CG 3.28Å; A116-Q120 WeakPolarHBondContact O-CG 3.42Å; A116-Q120 PolarHBondContact O-N 2.9Å; A116-Q120 VanDerWaalsContact O-N 3.11Å
117F98.2Very high95.9Very high43 Ų4366 Ų6619%0.18933%0.326CS..Hα-helixtrans-64.6-37.7173.3-71.3-22.9000112.4P46 T82 K113 R114 M115 Q120 G121P46-F117 HydrophobicContact CG-CB 3.97Å; P46-F117 HydrophobicContact CG-CD1 4.1Å; P46-F117 HydrophobicContact CG-CD2 3.9Å; P46-F117 HydrophobicContact CG-CE2 4.34Å; P46-F117 HydrophobicContact CG-CG 3.76Å; T82-F117 HydrophobicContact CG2-CB 4.47Å; T82-F117 WeakPolarHBondContact CG2-O 3.43Å; K113-F117 HydrophobicContact CD-CE2 4.28Å; K113-F117 HydrophobicContact CD-CZ 4.46Å; K113-F117 VanDerWaalsContact CE-CZ 3.43Å; K113-F117 HydrophobicContact CG-CD2 4.37Å; K113-F117 HydrophobicContact CG-CE2 3.99Å; K113-F117 HydrophobicContact CG-CZ 4.21Å; K113-F117 WeakPolarHBondContact O-CG 3.49Å; K113-F117 PolarHBondContact O-N 3.01Å; R114-F117 PolarHBondContact O-N 3.41Å; M115-F117 PolarHBondContact O-N 3.01Å; F117-Q120 PolarHBondContact O-N 3.02Å; F117-G121 PolarHBondContact O-N 3.34Å
118A98.2Very high95.9Very high0 Ų068 Ų680%034%0.335CS..Hα-helixtrans-61.1-4917700000111.4M76 P106 R114 M115 A116 Q120 G121 I122M76-A118 HydrophobicContact CB-CB 3.61Å; P106-A118 VanDerWaalsContact CD-CB 3.43Å; P106-A118 HydrophobicContact CG-CB 4.07Å; R114-A118 WeakPolarHBondContact O-CB 3.45Å; R114-A118 PolarHBondContact O-N 3.45Å; M115-A118 WeakPolarHBondContact O-CB 3.38Å; M115-A118 PolarHBondContact O-N 3.4Å; M115-A118 VanDerWaalsContact O-N 3.1Å; A116-A118 VanDerWaalsContact C-N 3.33Å; A118-Q120 VanDerWaalsContact C-N 3.33Å; A118-Q120 PolarHBondContact O-N 3.22Å; A118-G121 PolarHBondContact O-N 3.22Å; A118-I122 WeakPolarHBondContact O-CB 3.43Å; A118-I122 WeakPolarHBondContact O-CG1 3.29Å; A118-I122 PolarHBondContact O-N 2.81Å
119E97.3Very high96Very high73 Ų7363.1 Ų63.134%0.34131%0.309SS..Hα-helixtrans-62.2-39.9178.1-63.4-60165.900112.3K105 M115 I122 T123K105-E119 WeakPolarHBondContact CE-OE1 3.13Å; K105-E119 IonicContact NZ-OE1 2.67Å; K105-E119 PolarHBondContact NZ-OE1 2.89Å; K105-E119 IonicContact NZ-OE2 2.63Å; K105-E119 PolarHBondContact NZ-OE2 3.07Å; M115-E119 WeakPolarHBondContact O-CG 3.24Å; M115-E119 PolarHBondContact O-N 3.39Å; E119-I122 PolarHBondContact O-N 2.81Å; E119-T123 WeakPolarHBondContact O-CB 3.35Å; E119-T123 PolarHBondContact O-N 3.33Å; E119-T123 PolarHBondContact O-OG1 2.89Å
120Q97Very high96.1Very high124 Ų12458.2 Ų58.258%0.57929%0.288SS*.Hα-helixtrans-62.8-49.3175.5-73.31724.300111.5A116 F117 A118 I122 T123 E124A116-Q120 VanDerWaalsContact O-CG 3.28Å; A116-Q120 WeakPolarHBondContact O-CG 3.42Å; A116-Q120 PolarHBondContact O-N 2.9Å; A116-Q120 VanDerWaalsContact O-N 3.11Å; F117-Q120 PolarHBondContact O-N 3.02Å; A118-Q120 VanDerWaalsContact C-N 3.33Å; A118-Q120 PolarHBondContact O-N 3.22Å; Q120-I122 PolarHBondContact O-N 3.25Å; Q120-T123 PolarHBondContact O-N 3.24Å; Q120-E124 PolarHBondContact O-N 2.95Å
121G97.8Very high96.1Very high6 Ų656.1 Ų56.16%0.06228%0.278CS..Hα-helixtrans-65.7-35.7178.800000113.2M76 F117 A118 E124 L125M76-G121 VanDerWaalsContact CE-C 3.43Å; F117-G121 PolarHBondContact O-N 3.34Å; A118-G121 PolarHBondContact O-N 3.22Å; G121-E124 PolarHBondContact O-N 3.49Å; G121-L125 WeakPolarHBondContact O-CB 3.43Å; G121-L125 PolarHBondContact O-N 2.83Å
122I97Very high96.1Very high0 Ų054.9 Ų54.90%027%0.265CS..Hα-helixtrans-64.7-43.1174.7-75.1170.9000110.5M76 V103 K105 A118 E119 Q120 E124 L125 S126 L132 T134 Y194M76-I122 HydrophobicContact CB-CD1 4.48Å; M76-I122 HydrophobicContact CE-CG1 3.92Å; M76-I122 HydrophobicContact CG-CD1 4.25Å; M76-I122 HydrophobicContact CG-CG1 4.01Å; V103-I122 HydrophobicContact CG2-CD1 4.3Å; V103-I122 HydrophobicContact CG2-CG1 4.09Å; K105-I122 HydrophobicContact CD-CD1 4.16Å; K105-I122 VanDerWaalsContact CE-CD1 3.48Å; K105-I122 HydrophobicContact CG-CD1 3.63Å; A118-I122 WeakPolarHBondContact O-CB 3.43Å; A118-I122 WeakPolarHBondContact O-CG1 3.29Å; A118-I122 PolarHBondContact O-N 2.81Å; E119-I122 PolarHBondContact O-N 2.81Å; Q120-I122 PolarHBondContact O-N 3.25Å; I122-E124 VanDerWaalsContact C-N 3.31Å; I122-E124 PolarHBondContact O-N 3.32Å; I122-L125 PolarHBondContact O-N 3.34Å; I122-S126 WeakPolarHBondContact O-CB 3.41Å; I122-S126 PolarHBondContact O-N 3.36Å; I122-S126 PolarHBondContact O-OG 2.9Å; I122-L132 HydrophobicContact CG2-CD2 3.79Å; I122-T134 HydrophobicContact CD1-CG2 4.3Å; I122-T134 HydrophobicContact CG2-CG2 4.17Å; I122-Y194 HydrophobicContact CG2-CE1 3.94Å
123T95.6Very high96Very high69 Ų6945.7 Ų45.742%0.42323%0.225SC..Hα-helixtrans-64.2-36.6176.7-57.70000112E119 Q120 S126E119-T123 WeakPolarHBondContact O-CB 3.35Å; E119-T123 PolarHBondContact O-N 3.33Å; E119-T123 PolarHBondContact O-OG1 2.89Å; Q120-T123 PolarHBondContact O-N 3.24Å; T123-S126 PolarHBondContact O-OG 3.04Å
124E96.7Very high95.9Very high51 Ų5138.9 Ų38.924%0.23820%0.196CC..Hα-helixtrans-71-48.2174.6-168.369.7172.100110.9P86 Q120 G121 I122 S126 K127 H128P86-E124 HydrophobicContact CB-CB 4.41Å; P86-E124 HydrophobicContact CB-CG 3.89Å; P86-E124 HydrophobicContact CG-CB 4.15Å; P86-E124 HydrophobicContact CG-CG 4.1Å; Q120-E124 PolarHBondContact O-N 2.95Å; G121-E124 PolarHBondContact O-N 3.49Å; I122-E124 VanDerWaalsContact C-N 3.31Å; I122-E124 PolarHBondContact O-N 3.32Å; E124-S126 VanDerWaalsContact C-N 3.27Å; E124-S126 PolarHBondContact O-N 2.85Å; E124-K127 WeakPolarHBondContact O-CB 3.15Å; E124-K127 PolarHBondContact O-N 3.22Å; E124-K127 VanDerWaalsContact O-N 3.1Å; E124-K127 WeakPolarHBondContact OE2-CE 3.31Å; E124-K127 IonicContact OE2-NZ 2.75Å; E124-K127 PolarHBondContact OE2-NZ 2.8Å; E124-H128 PolarHBondContact O-CD2 2.82Å
125L96.8Very high95.7Very high0 Ų033.9 Ų33.90%018%0.178CC..Hα-helixtrans-57.5-39.4178.8-177.656.7000112.2M76 A85 P86 A89 A101 V103 G121 I122 K127 H128 V129 L132M76-L125 HydrophobicContact CE-CD2 4.46Å; A85-L125 HydrophobicContact CB-CD1 4.31Å; A85-L125 HydrophobicContact CB-CD2 4.25Å; P86-L125 HydrophobicContact CG-CB 4.12Å; A89-L125 HydrophobicContact CB-CD1 3.58Å; A101-L125 HydrophobicContact CB-CD1 4.29Å; A101-L125 HydrophobicContact CB-CD2 3.71Å; A101-L125 HydrophobicContact CB-CG 4.09Å; V103-L125 HydrophobicContact CG1-CD2 3.73Å; G121-L125 WeakPolarHBondContact O-CB 3.43Å; G121-L125 PolarHBondContact O-N 2.83Å; I122-L125 PolarHBondContact O-N 3.34Å; L125-K127 PolarHBondContact O-N 3.26Å; L125-H128 PolarHBondContact O-N 3.13Å; L125-V129 HydrophobicContact CD1-CG1 3.64Å; L125-V129 HydrophobicContact CG-CG1 4.05Å; L125-V129 PolarHBondContact O-N 2.89Å; L125-L132 HydrophobicContact CD2-CD1 3.79Å; L125-L132 HydrophobicContact CG-CD1 4.16Å
126S93.9Very high95.5Very high46 Ų4633.3 Ų33.332%0.32218%0.177SC..THydrogen-bonded Turntrans-60.2-18.418066.50000114I122 T123 E124 H128I122-S126 WeakPolarHBondContact O-CB 3.41Å; I122-S126 PolarHBondContact O-N 3.36Å; I122-S126 PolarHBondContact O-OG 2.9Å; T123-S126 PolarHBondContact O-OG 3.04Å; E124-S126 VanDerWaalsContact C-N 3.27Å; E124-S126 PolarHBondContact O-N 2.85Å; S126-H128 VanDerWaalsContact C-N 3.31Å
127K94Very high95.3Very high132 Ų13231.2 Ų31.257%0.57416%0.159SC*.THydrogen-bonded Turntrans-78.8-17.8176.9-58.6170-174.1170.90112.7E124 L125E124-K127 WeakPolarHBondContact O-CB 3.15Å; E124-K127 PolarHBondContact O-N 3.22Å; E124-K127 VanDerWaalsContact O-N 3.1Å; E124-K127 WeakPolarHBondContact OE2-CE 3.31Å; E124-K127 IonicContact OE2-NZ 2.75Å; E124-K127 PolarHBondContact OE2-NZ 2.8Å; L125-K127 PolarHBondContact O-N 3.26Å
128H95.1Very high95Very high42 Ų4231.1 Ų31.119%0.19416%0.16CC..SBendtrans-123.515.5-168-57.4-68.4000113A89 E90 K93 E124 L125 S126A89-H128 CarbonylContact C-O 3.59Å; A89-H128 HydrophobicContact CB-CB 3.83Å; A89-H128 WeakPolarHBondContact CB-O 3.3Å; E90-H128 HydrophobicContact CB-CB 4.33Å; K93-H128 WeakPolarHBondContact CG-O 3.4Å; E124-H128 PolarHBondContact O-CD2 2.82Å; L125-H128 PolarHBondContact O-N 3.13Å; S126-H128 VanDerWaalsContact C-N 3.31Å
129V95.6Very high94.6Very high8 Ų832.9 Ų32.95%0.04817%0.168CC..  trans-128.7155.1179-60.20000110.6A89 K93 T99 A101 L125 L132A89-V129 HydrophobicContact CB-CG1 3.72Å; K93-V129 VanDerWaalsContact CE-C 3.44Å; T99-V129 HydrophobicContact CG2-CB 4.5Å; T99-V129 HydrophobicContact CG2-CG1 4.04Å; A101-V129 HydrophobicContact CB-CG1 3.82Å; L125-V129 HydrophobicContact CD1-CG1 3.64Å; L125-V129 HydrophobicContact CG-CG1 4.05Å; L125-V129 PolarHBondContact O-N 2.89Å; V129-L132 HydrophobicContact CG2-CB 3.92Å
130D93.4Very high94.2Very high16 Ų1630 Ų309%0.08616%0.155CC..SBendtrans-73.7-45.3168.6-67.9-76.8000110.4K93 L98 T99 M189K93-D130 WeakPolarHBondContact CE-OD2 3.5Å; K93-D130 IonicContact NZ-OD1 2.91Å; K93-D130 PolarHBondContact NZ-OD1 2.85Å; K93-D130 IonicContact NZ-OD2 3.86Å; K93-D130 PolarHBondContact NZ-OD2 3.43Å; L98-D130 HydrophobicContact CD1-CB 3.77Å; T99-D130 PolarHBondContact N-OD2 2.97Å; T99-D130 PolarHBondContact O-N 3.5Å; D130-M189 CarbonylContact C-O 3.57Å
131S93Very high93.7Very high0 Ų027 Ų270%014%0.143CC..EExtended strand (participates in β ladder)trans-137.8139.1-179.4-168.10000111.3V100 A101 M189 A195V100-S131 WeakPolarHBondContact CA-O 3.27Å; A101-S131 PolarHBondContact N-O 3.3Å; S131-M189 WeakPolarHBondContact CB-O 3.25Å; S131-A195 VanDerWaalsContact OG-CB 3.23Å; S131-A195 WeakPolarHBondContact OG-CB 3.45Å
132L94.6Very high93Very high2 Ų232.5 Ų32.51%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-122.4101179.3-176.954.3000111.2A101 V103 I122 L125 V129 T134 G193 Y194 A195A101-L132 HydrophobicContact CB-CD1 3.55Å; V103-L132 HydrophobicContact CG1-CD1 4.44Å; V103-L132 HydrophobicContact CG2-CD1 3.81Å; I122-L132 HydrophobicContact CG2-CD2 3.79Å; L125-L132 HydrophobicContact CD2-CD1 3.79Å; L125-L132 HydrophobicContact CG-CD1 4.16Å; V129-L132 HydrophobicContact CG2-CB 3.92Å; L132-T134 HydrophobicContact CD1-CG2 4.5Å; L132-T134 HydrophobicContact CD2-CG2 4.42Å; L132-T134 HydrophobicContact CG-CG2 3.97Å; L132-G193 PolarHBondContact N-O 3.31Å; L132-Y194 HydrophobicContact CD2-CD1 4.47Å; L132-Y194 HydrophobicContact CD2-CE1 4.08Å; L132-A195 PolarHBondContact O-N 3.16Å
133I94Very high92.1Very high1 Ų137.4 Ų37.41%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-82.6114.5172.8-58.2173.2000109.6A101 V102 V103 I168 A195 M197 V283A101-I133 PolarHBondContact O-N 2.87Å; V102-I133 CarbonylContact C-O 3.56Å; V102-I133 WeakPolarHBondContact CA-O 3.39Å; V102-I133 HydrophobicContact CB-CB 4.38Å; V102-I133 HydrophobicContact CG1-CB 3.98Å; V102-I133 HydrophobicContact CG1-CG2 3.92Å; V102-I133 HydrophobicContact CG2-CB 4.31Å; V102-I133 HydrophobicContact CG2-CD1 4.16Å; V103-I133 PolarHBondContact N-O 3.24Å; I133-I168 HydrophobicContact CD1-CD1 3.82Å; I133-A195 VanDerWaalsContact CA-O 3.24Å; I133-A195 WeakPolarHBondContact CA-O 3.44Å; I133-A195 HydrophobicContact CG1-CB 3.63Å; I133-M197 HydrophobicContact CG2-CB 4.35Å; I133-V283 HydrophobicContact CD1-CG1 3.89Å; I133-V283 HydrophobicContact CG1-CG1 4.5Å
134T92.8Very high91.5Very high7 Ų737 Ų374%0.04319%0.19CC..EExtended strand (participates in β ladder)trans-106.7123.2177.663.10000111.5V103 I122 L132 P136 Y194 A195 M196V103-T134 HydrophobicContact CG2-CG2 4.16Å; V103-T134 CarbonylContact O-C 3.52Å; V103-T134 WeakPolarHBondContact O-CA 3.39Å; I122-T134 HydrophobicContact CD1-CG2 4.3Å; I122-T134 HydrophobicContact CG2-CG2 4.17Å; L132-T134 HydrophobicContact CD1-CG2 4.5Å; L132-T134 HydrophobicContact CD2-CG2 4.42Å; L132-T134 HydrophobicContact CG-CG2 3.97Å; T134-P136 WeakPolarHBondContact O-CD 3.35Å; T134-Y194 HydrophobicContact CG2-CD1 4.07Å; T134-Y194 HydrophobicContact CG2-CE1 4.23Å; T134-A195 PolarHBondContact N-O 3.49Å; T134-M196 WeakPolarHBondContact OG1-CE 3.4Å
135I93.5Very high90.5Very high4 Ų436.4 Ų36.42%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-103.8103.5178.8-60.6157.9000108.6V102 V103 T104 K105 N137 V160 L161 L220V102-I135 HydrophobicContact CG1-CD1 3.83Å; V103-I135 PolarHBondContact O-N 3.26Å; T104-I135 CarbonylContact C-O 3.57Å; T104-I135 VanDerWaalsContact CA-O 3.28Å; T104-I135 WeakPolarHBondContact CA-O 3.15Å; T104-I135 HydrophobicContact CG2-CB 4.02Å; T104-I135 HydrophobicContact CG2-CD1 4.23Å; T104-I135 HydrophobicContact CG2-CG2 4.22Å; K105-I135 PolarHBondContact N-O 3.27Å; I135-N137 PolarHBondContact O-N 2.92Å; I135-V160 HydrophobicContact CB-CG1 4.49Å; I135-V160 HydrophobicContact CD1-CB 4.19Å; I135-V160 HydrophobicContact CD1-CG1 3.52Å; I135-V160 HydrophobicContact CG1-CG1 3.76Å; I135-V160 HydrophobicContact CG2-CB 4.35Å; I135-V160 HydrophobicContact CG2-CG1 3.88Å; I135-L161 HydrophobicContact CD1-CD2 3.64Å; I135-L161 HydrophobicContact CD1-CG 3.88Å; I135-L220 HydrophobicContact CG2-CD2 3.99Å
136P93.2Very high89.7Confident28 Ų2848.6 Ų48.618%0.18224%0.243CC..EExtended strand (participates in β ladder)trans-72.7105.1173.328.2-34.7000110.8T134 D138 K139 L220T134-P136 WeakPolarHBondContact O-CD 3.35Å; P136-D138 PolarHBondContact O-N 2.86Å; P136-D138 VanDerWaalsContact O-N 3.1Å; P136-K139 HydrophobicContact CB-CG 3.96Å; P136-K139 HydrophobicContact CG-CB 4.1Å; P136-K139 HydrophobicContact CG-CG 3.45Å; P136-K139 VanDerWaalsContact CG-CG 3.45Å; P136-K139 WeakPolarHBondContact O-CB 3.44Å; P136-K139 PolarHBondContact O-N 3.47Å; P136-L220 HydrophobicContact CG-CD2 4.35Å
137N93.7Very high88.9Confident4 Ų450.5 Ų50.52%0.02127%0.269CS..Hα-helixtrans-57.7-30.2-176.9-74.8-6.5000113.4T104 K105 F107 I135 K139 L140 A157T104-N137 WeakPolarHBondContact CB-OD1 3.26Å; K105-N137 WeakPolarHBondContact O-CB 3.41Å; K105-N137 PolarHBondContact O-N 2.74Å; K105-N137 PolarHBondContact O-ND2 3.22Å; K105-N137 VanDerWaalsContact O-ND2 3.12Å; F107-N137 HydrophobicContact CD1-CB 3.74Å; F107-N137 HydrophobicContact CD2-CB 3.87Å; F107-N137 HydrophobicContact CE1-CB 3.69Å; F107-N137 WeakPolarHBondContact CE1-O 3.32Å; F107-N137 HydrophobicContact CE2-CB 3.81Å; F107-N137 HydrophobicContact CG-CB 3.83Å; F107-N137 HydrophobicContact CZ-CB 3.71Å; I135-N137 PolarHBondContact O-N 2.92Å; N137-K139 PolarHBondContact O-N 3.14Å; N137-L140 HydrophobicContact CB-CD1 4.45Å; N137-L140 VanDerWaalsContact O-CB 3.25Å; N137-L140 WeakPolarHBondContact O-CB 3.32Å; N137-L140 WeakPolarHBondContact O-CG 3.32Å; N137-L140 PolarHBondContact O-N 2.93Å; N137-A157 WeakPolarHBondContact OD1-CB 3.03Å
138D91.9Very high88.5Confident41 Ų4146.7 Ų46.722%0.21926%0.255CS..Hα-helixtrans-59.7-29.1174.2-73.1-74.2000113.7N108 P136 L140 L141N108-D138 WeakPolarHBondContact CB-OD1 3.25Å; N108-D138 VanDerWaalsContact CG-CG 3.49Å; N108-D138 VanDerWaalsContact CG-OD1 3.3Å; N108-D138 PolarHBondContact N-OD1 3.22Å; N108-D138 PolarHBondContact N-OD2 3.02Å; N108-D138 PolarHBondContact ND2-OD1 3.09Å; N108-D138 PolarHBondContact ND2-OD2 3.11Å; N108-D138 VanDerWaalsContact ND2-OD2 3.11Å; P136-D138 PolarHBondContact O-N 2.86Å; P136-D138 VanDerWaalsContact O-N 3.1Å; D138-L140 VanDerWaalsContact C-N 3.27Å; D138-L140 PolarHBondContact O-N 3.35Å; D138-L141 WeakPolarHBondContact O-CB 3.39Å; D138-L141 PolarHBondContact O-N 3.5Å
139K90.1Very high88.2Confident37 Ų3747.1 Ų47.116%0.16126%0.262CS..Hα-helixtrans-69.5-27.2175.6-64.2-68-165.81670111.7P136 N137 L141 K142 L220 E222 D223P136-K139 HydrophobicContact CB-CG 3.96Å; P136-K139 HydrophobicContact CG-CB 4.1Å; P136-K139 HydrophobicContact CG-CG 3.45Å; P136-K139 VanDerWaalsContact CG-CG 3.45Å; P136-K139 WeakPolarHBondContact O-CB 3.44Å; P136-K139 PolarHBondContact O-N 3.47Å; N137-K139 PolarHBondContact O-N 3.14Å; K139-L141 PolarHBondContact O-N 2.79Å; K139-K142 WeakPolarHBondContact O-CB 3.08Å; K139-K142 PolarHBondContact O-N 2.66Å; K139-K142 VanDerWaalsContact O-N 3.13Å; K139-L220 HydrophobicContact CB-CD2 4.12Å; K139-E222 WeakPolarHBondContact CD-OE2 3.45Å; K139-E222 IonicContact NZ-OE2 2.72Å; K139-E222 PolarHBondContact NZ-OE2 2.91Å; K139-D223 IonicContact NZ-OD2 2.96Å; K139-D223 PolarHBondContact NZ-OD2 3.13Å
140L88.2Confident87.6Confident11 Ų1151.5 Ų51.56%0.05829%0.285CS..Hα-helixtrans-65.2-29.8177.1-52.3177.6000111.8N137 D138 K142 V143 L144 A157 V160 L220N137-L140 HydrophobicContact CB-CD1 4.45Å; N137-L140 VanDerWaalsContact O-CB 3.25Å; N137-L140 WeakPolarHBondContact O-CB 3.32Å; N137-L140 WeakPolarHBondContact O-CG 3.32Å; N137-L140 PolarHBondContact O-N 2.93Å; D138-L140 VanDerWaalsContact C-N 3.27Å; D138-L140 PolarHBondContact O-N 3.35Å; L140-K142 PolarHBondContact O-N 2.69Å; L140-K142 VanDerWaalsContact O-N 3.11Å; L140-V143 PolarHBondContact O-N 3.02Å; L140-V143 VanDerWaalsContact O-N 3.09Å; L140-L144 HydrophobicContact CB-CD1 4.08Å; L140-L144 WeakPolarHBondContact O-CB 3.32Å; L140-L144 VanDerWaalsContact O-CG 3.25Å; L140-L144 WeakPolarHBondContact O-CG 3.32Å; L140-L144 PolarHBondContact O-N 3.25Å; L140-A157 HydrophobicContact CD1-CB 3.69Å; L140-V160 HydrophobicContact CD2-CG2 3.82Å; L140-L220 HydrophobicContact CD2-CD1 4.43Å; L140-L220 HydrophobicContact CD2-CD2 3.94Å; L140-L220 HydrophobicContact CD2-CG 4.46Å
141L86.2Confident87.4Confident63 Ų6357.4 Ų57.433%0.3332%0.316SS..Hα-helixtrans-60.8-22176.6-58.5179000112.7F107 D138 K139 G145 I148F107-L141 HydrophobicContact CD1-CD1 4.13Å; F107-L141 HydrophobicContact CD1-CD2 4.04Å; F107-L141 HydrophobicContact CD1-CG 4.05Å; F107-L141 HydrophobicContact CE1-CD2 3.69Å; F107-L141 HydrophobicContact CE1-CG 3.96Å; D138-L141 WeakPolarHBondContact O-CB 3.39Å; D138-L141 PolarHBondContact O-N 3.5Å; K139-L141 PolarHBondContact O-N 2.79Å; L141-G145 PolarHBondContact O-N 2.9Å; L141-I148 HydrophobicContact CD2-CD1 3.93Å
142K82.8Confident87.2Confident120 Ų12061.9 Ų61.952%0.52234%0.34SS..Hα-helixtrans-71.7-37.3176.3-63-172.5171.2-170.30112.5K139 L140 E222K139-K142 WeakPolarHBondContact O-CB 3.08Å; K139-K142 PolarHBondContact O-N 2.66Å; K139-K142 VanDerWaalsContact O-N 3.13Å; L140-K142 PolarHBondContact O-N 2.69Å; L140-K142 VanDerWaalsContact O-N 3.11Å; K142-E222 IonicContact NZ-OE1 3.63Å; K142-E222 PolarHBondContact NZ-OE1 3.34Å; K142-E222 IonicContact NZ-OE2 2.85Å; K142-E222 PolarHBondContact NZ-OE2 3.45Å
143V78.9Confident86.8Confident104 Ų10461.9 Ų61.963%0.6334%0.34SS*.Hα-helixtrans-85.1-38.8-178.3-173.90000111.1L140 G145 P219L140-V143 PolarHBondContact O-N 3.02Å; L140-V143 VanDerWaalsContact O-N 3.09Å; V143-G145 VanDerWaalsContact C-N 3.29Å; V143-G145 PolarHBondContact O-N 3.47Å; V143-P219 HydrophobicContact CG2-CB 4.34Å; V143-P219 HydrophobicContact CG2-CG 3.58Å
144L82.3Confident86.6Confident61 Ų6165.3 Ų65.332%0.31936%0.355SS..Hα-helixtrans-74.4-20.8-175.1-65173.2000113.1L140 I148 A156L140-L144 HydrophobicContact CB-CD1 4.08Å; L140-L144 WeakPolarHBondContact O-CB 3.32Å; L140-L144 VanDerWaalsContact O-CG 3.25Å; L140-L144 WeakPolarHBondContact O-CG 3.32Å; L140-L144 PolarHBondContact O-N 3.25Å; L144-I148 HydrophobicContact CB-CD1 3.62Å; L144-I148 HydrophobicContact CB-CG2 3.86Å; L144-I148 HydrophobicContact CD1-CD1 3.58Å; L144-I148 HydrophobicContact CG-CD1 4.24Å; L144-I148 WeakPolarHBondContact O-CG2 3.34Å; L144-A156 HydrophobicContact CD1-CB 3.55Å; L144-A156 HydrophobicContact CD2-CB 3.78Å; L144-A156 HydrophobicContact CG-CB 4.17Å
145G77.2Confident86.4Confident37 Ų3766.2 Ų66.238%0.38137%0.366SS..  trans76.7-171.6179.300000114L141 V143L141-G145 PolarHBondContact O-N 2.9Å; V143-G145 VanDerWaalsContact C-N 3.29Å; V143-G145 PolarHBondContact O-N 3.47Å
146R78.5Confident86.2Confident257 Ų25766.8 Ų66.897%0.9737%0.371SS*.THydrogen-bonded Turntrans-86.5144.4-178.3-67.5-177.2177173.70.4111
147G78.9Confident86Confident85 Ų8565.6 Ų65.688%0.87636%0.364SS*.THydrogen-bonded Turntrans87.56.8172.100000115.3
148I84.5Confident85.9Confident53 Ų5369.3 Ų69.327%0.27238%0.383SS..  trans-60.3149.5173.166.4176.1000111.9L141 L144 A153L141-I148 HydrophobicContact CD2-CD1 3.93Å; L144-I148 HydrophobicContact CB-CD1 3.62Å; L144-I148 HydrophobicContact CB-CG2 3.86Å; L144-I148 HydrophobicContact CD1-CD1 3.58Å; L144-I148 HydrophobicContact CG-CD1 4.24Å; L144-I148 WeakPolarHBondContact O-CG2 3.34Å; I148-A153 HydrophobicContact CD1-CB 3.78Å
149S88.5Confident85.8Confident51 Ų5171.6 Ų71.636%0.35740%0.396SS..  trans-74.7155.3172.984.90000110.7L151 D152 A153S149-L151 PolarHBondContact O-N 2.7Å; S149-L151 PolarHBondContact OG-N 3.14Å; S149-D152 VanDerWaalsContact CB-OD2 3.3Å; S149-D152 WeakPolarHBondContact CB-OD2 3.1Å; S149-D152 PolarHBondContact O-N 2.74Å; S149-D152 PolarHBondContact OG-N 3.5Å; S149-D152 VanDerWaalsContact OG-N 3.1Å; S149-D152 PolarHBondContact OG-OD2 3Å; S149-A153 PolarHBondContact O-N 3.35Å
150L83.8Confident85.8Confident100 Ų10071.1 Ų71.152%0.52440%0.396SS..Hα-helixtrans-59.4-34.3174.3-177.463.3000111.7F109 A153 F154F109-L150 HydrophobicContact CE2-CD1 3.62Å; F109-L150 HydrophobicContact CZ-CD1 3.49Å; F109-L150 VanDerWaalsContact CZ-CD1 3.49Å; L150-A153 PolarHBondContact O-N 2.97Å; L150-F154 HydrophobicContact CD1-CD2 4.1Å; L150-F154 HydrophobicContact CD1-CE2 3.5Å; L150-F154 VanDerWaalsContact CD1-CE2 3.5Å; L150-F154 HydrophobicContact CD1-CZ 4.09Å; L150-F154 HydrophobicContact CD2-CE2 4.16Å; L150-F154 HydrophobicContact CG-CD2 4Å; L150-F154 HydrophobicContact CG-CE2 3.62Å; L150-F154 WeakPolarHBondContact O-CD2 3.37Å; L150-F154 PolarHBondContact O-N 2.64Å
151L87.9Confident85.9Confident140 Ų14071.2 Ų71.273%0.73340%0.396SS*.Hα-helixtrans-67-43178.3-175.664.4000111.1S149 A153 F154 G155S149-L151 PolarHBondContact O-N 2.7Å; S149-L151 PolarHBondContact OG-N 3.14Å; L151-A153 VanDerWaalsContact C-N 3.33Å; L151-F154 PolarHBondContact O-N 3.2Å; L151-G155 PolarHBondContact O-N 3.28Å
152D88.8Confident86Confident93 Ų9369.7 Ų69.750%0.49739%0.387SS..Hα-helixtrans-67.1-36.8178.3-55.8-37.2000111.2S149 F154 G155 A156S149-D152 VanDerWaalsContact CB-OD2 3.3Å; S149-D152 WeakPolarHBondContact CB-OD2 3.1Å; S149-D152 PolarHBondContact O-N 2.74Å; S149-D152 PolarHBondContact OG-N 3.5Å; S149-D152 VanDerWaalsContact OG-N 3.1Å; S149-D152 PolarHBondContact OG-OD2 3Å; D152-F154 PolarHBondContact O-N 3.47Å; D152-G155 WeakPolarHBondContact O-CA 3.35Å; D152-G155 PolarHBondContact O-N 2.91Å; D152-G155 VanDerWaalsContact O-N 3.16Å; D152-A156 PolarHBondContact O-N 3.31Å
153A88.1Confident86.3Confident3 Ų364.9 Ų64.93%0.02537%0.371CS..Hα-helixtrans-60.7-45.3175.700000112.1F107 I148 S149 L150 L151 A157F107-A153 HydrophobicContact CE1-CB 4.33Å; F107-A153 HydrophobicContact CE2-CB 4.25Å; F107-A153 HydrophobicContact CZ-CB 3.71Å; I148-A153 HydrophobicContact CD1-CB 3.78Å; S149-A153 PolarHBondContact O-N 3.35Å; L150-A153 PolarHBondContact O-N 2.97Å; L151-A153 VanDerWaalsContact C-N 3.33Å; A153-A157 PolarHBondContact O-N 3.19Å
154F88.7Confident86.8Confident73 Ų7359.9 Ų59.932%0.3234%0.341SS..Hα-helixtrans-70.4-32.6173.3-71-57.5000112.6F107 L150 L151 D152 A157 N158F107-F154 HydrophobicContact CD2-CE1 4.03Å; F107-F154 AromaticContact CE2-CD1 3.93Å; F107-F154 HydrophobicContact CE2-CD1 3.93Å; F107-F154 AromaticContact CE2-CE1 3.87Å; F107-F154 HydrophobicContact CE2-CE1 3.87Å; L150-F154 HydrophobicContact CD1-CD2 4.1Å; L150-F154 HydrophobicContact CD1-CE2 3.5Å; L150-F154 VanDerWaalsContact CD1-CE2 3.5Å; L150-F154 HydrophobicContact CD1-CZ 4.09Å; L150-F154 HydrophobicContact CD2-CE2 4.16Å; L150-F154 HydrophobicContact CG-CD2 4Å; L150-F154 HydrophobicContact CG-CE2 3.62Å; L150-F154 WeakPolarHBondContact O-CD2 3.37Å; L150-F154 PolarHBondContact O-N 2.64Å; L151-F154 PolarHBondContact O-N 3.2Å; D152-F154 PolarHBondContact O-N 3.47Å; F154-A157 PolarHBondContact O-N 2.92Å; F154-N158 PolarHBondContact O-N 2.96Å; F154-N158 VanDerWaalsContact O-N 3.1Å; F154-N158 PolarHBondContact O-ND2 2.82Å
155G89.6Confident87.3Confident26 Ų2657 Ų5727%0.26833%0.326SS..Hα-helixtrans-56.3-51.5171.900000111.4L151 D152 A157 N158 D159L151-G155 PolarHBondContact O-N 3.28Å; D152-G155 WeakPolarHBondContact O-CA 3.35Å; D152-G155 PolarHBondContact O-N 2.91Å; D152-G155 VanDerWaalsContact O-N 3.16Å; G155-A157 VanDerWaalsContact C-N 3.34Å; G155-A157 PolarHBondContact O-N 3Å; G155-N158 CarbonylContact O-C 3.59Å; G155-N158 WeakPolarHBondContact O-CA 3.47Å; G155-N158 WeakPolarHBondContact O-CB 3.22Å; G155-N158 PolarHBondContact O-N 3.1Å; G155-D159 PolarHBondContact O-N 3.33Å
156A89.2Confident87.9Confident16 Ų1656.4 Ų56.413%0.13231%0.313CS..Hα-helixtrans-59.1-41.6178.300000112.9L144 D152 N158 D159 V160L144-A156 HydrophobicContact CD1-CB 3.55Å; L144-A156 HydrophobicContact CD2-CB 3.78Å; L144-A156 HydrophobicContact CG-CB 4.17Å; D152-A156 PolarHBondContact O-N 3.31Å; A156-N158 VanDerWaalsContact C-N 3.3Å; A156-N158 PolarHBondContact O-N 3.4Å; A156-D159 PolarHBondContact O-N 2.82Å; A156-D159 VanDerWaalsContact O-N 3.17Å; A156-V160 WeakPolarHBondContact O-CG2 3.23Å; A156-V160 PolarHBondContact O-N 3.03Å
157A89.2Confident88.4Confident3 Ų344.3 Ų44.33%0.02527%0.269CS..Hα-helixtrans-61.4-4017500000112T104 N137 L140 A153 F154 G155 D159 V160 L161T104-A157 HydrophobicContact CG2-CB 4.19Å; N137-A157 WeakPolarHBondContact OD1-CB 3.03Å; L140-A157 HydrophobicContact CD1-CB 3.69Å; A153-A157 PolarHBondContact O-N 3.19Å; F154-A157 PolarHBondContact O-N 2.92Å; G155-A157 VanDerWaalsContact C-N 3.34Å; G155-A157 PolarHBondContact O-N 3Å; A157-D159 VanDerWaalsContact C-N 3.33Å; A157-V160 PolarHBondContact O-N 3.34Å; A157-L161 WeakPolarHBondContact O-CG 3.18Å; A157-L161 PolarHBondContact O-N 2.95Å
158N90.2Very high89Confident81 Ų8140.2 Ų40.243%0.43323%0.227SC..Hα-helixtrans-68.8-30.9175.4-69.6-44.1000113F154 G155 A156 K162F154-N158 PolarHBondContact O-N 2.96Å; F154-N158 VanDerWaalsContact O-N 3.1Å; F154-N158 PolarHBondContact O-ND2 2.82Å; G155-N158 CarbonylContact O-C 3.59Å; G155-N158 WeakPolarHBondContact O-CA 3.47Å; G155-N158 WeakPolarHBondContact O-CB 3.22Å; G155-N158 PolarHBondContact O-N 3.1Å; A156-N158 VanDerWaalsContact C-N 3.3Å; A156-N158 PolarHBondContact O-N 3.4Å; N158-K162 WeakPolarHBondContact O-CB 2.95Å; N158-K162 PolarHBondContact O-N 3.11Å
159D89.8Confident89.3Confident89 Ų8937.8 Ų37.848%0.47622%0.215SC..Hα-helixtrans-71-38.2176.4-69.6-28.5000111.3G155 A156 A157 K162 G163G155-D159 PolarHBondContact O-N 3.33Å; A156-D159 PolarHBondContact O-N 2.82Å; A156-D159 VanDerWaalsContact O-N 3.17Å; A157-D159 VanDerWaalsContact C-N 3.33Å; D159-K162 WeakPolarHBondContact O-CB 3.11Å; D159-K162 PolarHBondContact O-N 3.43Å; D159-G163 PolarHBondContact O-N 2.93Å
160V89.7Confident89.3Confident28 Ų2835.5 Ų35.517%0.1720%0.198CC..Hα-helixtrans-66.3-44.8172.2178.80000111.1I135 L140 A156 A157 K162 G163 A164 L220I135-V160 HydrophobicContact CB-CG1 4.49Å; I135-V160 HydrophobicContact CD1-CB 4.19Å; I135-V160 HydrophobicContact CD1-CG1 3.52Å; I135-V160 HydrophobicContact CG1-CG1 3.76Å; I135-V160 HydrophobicContact CG2-CB 4.35Å; I135-V160 HydrophobicContact CG2-CG1 3.88Å; L140-V160 HydrophobicContact CD2-CG2 3.82Å; A156-V160 WeakPolarHBondContact O-CG2 3.23Å; A156-V160 PolarHBondContact O-N 3.03Å; A157-V160 PolarHBondContact O-N 3.34Å; V160-K162 VanDerWaalsContact C-N 3.26Å; V160-K162 PolarHBondContact O-N 2.99Å; V160-G163 PolarHBondContact O-N 3.01Å; V160-A164 WeakPolarHBondContact O-CB 3.49Å; V160-A164 PolarHBondContact O-N 2.84Å; V160-L220 HydrophobicContact CB-CD1 4.42Å; V160-L220 HydrophobicContact CG1-CD1 3.4Å; V160-L220 HydrophobicContact CG2-CD1 4.08Å
161L90.4Very high89.4Confident12 Ų1231 Ų316%0.06318%0.175CC..Hα-helixtrans-55.8-43.9173.9-78.8171.9000111.7V102 T104 I135 A157 V165V102-L161 HydrophobicContact CB-CD2 4.06Å; V102-L161 HydrophobicContact CG1-CD2 3.67Å; V102-L161 WeakPolarHBondContact O-CD2 3.47Å; T104-L161 HydrophobicContact CG2-CD1 3.69Å; T104-L161 HydrophobicContact CG2-CD2 4.04Å; T104-L161 HydrophobicContact CG2-CG 3.73Å; I135-L161 HydrophobicContact CD1-CD2 3.64Å; I135-L161 HydrophobicContact CD1-CG 3.88Å; A157-L161 WeakPolarHBondContact O-CG 3.18Å; A157-L161 PolarHBondContact O-N 2.95Å; L161-V165 PolarHBondContact O-N 3.41Å
162K89.2Confident89.3Confident32 Ų3227.2 Ų27.214%0.13915%0.154CC..Hα-helixtrans-62.3-52.5176-178.9-169.773.4-178.10110.6M1 E4 N158 D159 V160 A164 V165 Q166M1-K162 HydrophobicContact CG-CB 4.33Å; E4-K162 VanDerWaalsContact CD-NZ 3.27Å; E4-K162 IonicContact OE1-NZ 3.53Å; E4-K162 PolarHBondContact OE1-NZ 3.36Å; E4-K162 VanDerWaalsContact OE1-NZ 3.11Å; E4-K162 VanDerWaalsContact OE2-CD 3.28Å; E4-K162 WeakPolarHBondContact OE2-CD 3.34Å; E4-K162 WeakPolarHBondContact OE2-CE 3.5Å; E4-K162 IonicContact OE2-NZ 3.67Å; E4-K162 PolarHBondContact OE2-NZ 3.34Å; N158-K162 WeakPolarHBondContact O-CB 2.95Å; N158-K162 PolarHBondContact O-N 3.11Å; D159-K162 WeakPolarHBondContact O-CB 3.11Å; D159-K162 PolarHBondContact O-N 3.43Å; V160-K162 VanDerWaalsContact C-N 3.26Å; V160-K162 PolarHBondContact O-N 2.99Å; K162-A164 VanDerWaalsContact C-N 3.27Å; K162-A164 PolarHBondContact O-N 3.42Å; K162-V165 PolarHBondContact O-N 2.87Å; K162-Q166 WeakPolarHBondContact O-CB 3.17Å; K162-Q166 PolarHBondContact O-N 3.05Å
163G88.8Confident89.1Confident18 Ų1825 Ų2519%0.18614%0.144CC..Hα-helixtrans-57.8-39.5-178.400000112.5D159 V160 G167 M197D159-G163 PolarHBondContact O-N 2.93Å; V160-G163 PolarHBondContact O-N 3.01Å; G163-G167 PolarHBondContact O-N 2.84Å; G163-M197 WeakPolarHBondContact O-CE 3.35Å
164A90.2Very high88.7Confident0 Ų026.9 Ų26.90%015%0.151CC..Hα-helixtrans-60.7-53.8176.900000111.4V102 V160 K162 G167 I168 M197V102-A164 HydrophobicContact CG1-CB 3.59Å; V102-A164 HydrophobicContact CG2-CB 4.36Å; V160-A164 WeakPolarHBondContact O-CB 3.49Å; V160-A164 PolarHBondContact O-N 2.84Å; K162-A164 VanDerWaalsContact C-N 3.27Å; K162-A164 PolarHBondContact O-N 3.42Å; A164-G167 PolarHBondContact O-N 3.43Å; A164-I168 VanDerWaalsContact O-CD1 3.24Å; A164-I168 WeakPolarHBondContact O-CD1 3.33Å; A164-I168 VanDerWaalsContact O-CG1 3.27Å; A164-I168 WeakPolarHBondContact O-CG1 3.35Å; A164-I168 PolarHBondContact O-N 3.48Å; A164-M197 WeakPolarHBondContact CA-SD 3.26Å; A164-M197 HydrophobicContact CB-CE 4.44Å; A164-M197 HydrophobicContact CB-CG 4.37Å; A164-M197 HydrophobicContact CB-SD 3.47Å; A164-M197 WeakPolarHBondContact CB-SD 3.46Å; A164-M197 PolarHBondContact N-SD 2.89Å; A164-M197 VanDerWaalsContact N-SD 3.4Å
165V91.5Very high87.9Confident1 Ų128.1 Ų28.11%0.00617%0.166CC..Hα-helixtrans-68.3-41-178.3175.10000111.3M1 I6 F71 V102 L161 K162 I168 A169M1-V165 HydrophobicContact CE-CB 3.24Å; M1-V165 HydrophobicContact CE-CG1 3.49Å; M1-V165 VanDerWaalsContact CE-CG1 3.49Å; M1-V165 HydrophobicContact CE-CG2 3.3Å; I6-V165 HydrophobicContact CD1-CB 4.43Å; I6-V165 HydrophobicContact CD1-CG1 3.98Å; F71-V165 HydrophobicContact CB-CG1 4.04Å; F71-V165 HydrophobicContact CB-CG2 3.99Å; F71-V165 HydrophobicContact CD1-CB 4.38Å; F71-V165 HydrophobicContact CD1-CG1 4.08Å; F71-V165 HydrophobicContact CD1-CG2 3.88Å; F71-V165 HydrophobicContact CD2-CG1 3.84Å; F71-V165 HydrophobicContact CE1-CG1 4.48Å; F71-V165 HydrophobicContact CE2-CG1 4.27Å; F71-V165 HydrophobicContact CG-CB 4.44Å; F71-V165 HydrophobicContact CG-CG1 3.72Å; F71-V165 HydrophobicContact CG-CG2 4.05Å; V102-V165 HydrophobicContact CB-CG2 4.41Å; V102-V165 HydrophobicContact CG2-CG2 3.8Å; L161-V165 PolarHBondContact O-N 3.41Å; K162-V165 PolarHBondContact O-N 2.87Å; V165-I168 PolarHBondContact O-N 3.11Å; V165-A169 WeakPolarHBondContact O-CB 3.15Å; V165-A169 PolarHBondContact O-N 2.88Å
166Q90.3Very high87Confident23 Ų2327.5 Ų27.511%0.10716%0.16CC..Hα-helixtrans-60.5-49.6176.5-178.8174.5-3.400111.1I6 K162 I168 A169 E170I6-Q166 HydrophobicContact CD1-CB 3.99Å; I6-Q166 HydrophobicContact CG1-CB 4.31Å; K162-Q166 WeakPolarHBondContact O-CB 3.17Å; K162-Q166 PolarHBondContact O-N 3.05Å; Q166-I168 VanDerWaalsContact C-N 3.26Å; Q166-I168 PolarHBondContact O-N 2.72Å; Q166-A169 PolarHBondContact O-N 3.19Å; Q166-E170 HydrophobicContact CG-CG 3.94Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.28Å; Q166-E170 PolarHBondContact NE2-OE1 2.61Å; Q166-E170 VanDerWaalsContact O-CB 3.3Å; Q166-E170 WeakPolarHBondContact O-CB 3.22Å; Q166-E170 VanDerWaalsContact O-CG 3.26Å; Q166-E170 WeakPolarHBondContact O-CG 3.45Å; Q166-E170 PolarHBondContact O-N 2.83Å
167G89.3Confident86.2Confident3 Ų332.2 Ų32.23%0.03118%0.182CC..Hα-helixtrans-60.2-34.4-178.300000113.5G163 A164 N235G163-G167 PolarHBondContact O-N 2.84Å; A164-G167 PolarHBondContact O-N 3.43Å; G167-N235 WeakPolarHBondContact O-CB 3.45Å; G167-N235 PolarHBondContact O-ND2 2.92Å
168I91.3Very high85.5Confident0 Ų035.8 Ų35.80%020%0.2CC..Hα-helixtrans-81.1-44.7177-57.8156.5000111M69 F71 I133 A164 V165 Q166 L171 V185 M189 L233 V283M69-I168 HydrophobicContact CE-CG2 3.97Å; F71-I168 HydrophobicContact CE1-CB 3.93Å; F71-I168 HydrophobicContact CE1-CD1 3.87Å; F71-I168 HydrophobicContact CE1-CG2 3.84Å; F71-I168 HydrophobicContact CZ-CB 3.89Å; F71-I168 HydrophobicContact CZ-CG2 3.62Å; I133-I168 HydrophobicContact CD1-CD1 3.82Å; A164-I168 VanDerWaalsContact O-CD1 3.24Å; A164-I168 WeakPolarHBondContact O-CD1 3.33Å; A164-I168 VanDerWaalsContact O-CG1 3.27Å; A164-I168 WeakPolarHBondContact O-CG1 3.35Å; A164-I168 PolarHBondContact O-N 3.48Å; V165-I168 PolarHBondContact O-N 3.11Å; Q166-I168 VanDerWaalsContact C-N 3.26Å; Q166-I168 PolarHBondContact O-N 2.72Å; I168-L171 PolarHBondContact O-N 2.97Å; I168-V185 HydrophobicContact CG2-CG1 4.21Å; I168-M189 HydrophobicContact CB-CE 4.32Å; I168-M189 HydrophobicContact CD1-CE 3.27Å; I168-M189 HydrophobicContact CG1-CE 3.67Å; I168-M189 HydrophobicContact CG2-CE 3.67Å; I168-L233 HydrophobicContact CB-CD2 4.47Å; I168-L233 HydrophobicContact CG1-CD2 4.23Å; I168-L233 HydrophobicContact CG2-CD2 4.05Å; I168-V283 HydrophobicContact CD1-CG2 4.19Å; I168-V283 HydrophobicContact CG1-CG2 3.94Å
169A90Very high84.8Confident2 Ų237.5 Ų37.52%0.01721%0.208CC..Hα-helixtrans-66.9-42.4-176.300000112I6 V9 F71 V165 Q166 L171 I172 T173I6-A169 HydrophobicContact CG2-CB 3.86Å; V9-A169 HydrophobicContact CG2-CB 3.66Å; F71-A169 HydrophobicContact CE2-CB 4.32Å; V165-A169 WeakPolarHBondContact O-CB 3.15Å; V165-A169 PolarHBondContact O-N 2.88Å; Q166-A169 PolarHBondContact O-N 3.19Å; A169-L171 PolarHBondContact O-N 3.02Å; A169-I172 PolarHBondContact O-N 3.1Å; A169-T173 PolarHBondContact O-N 2.9Å; A169-T173 PolarHBondContact O-OG1 3.18Å; A169-T173 VanDerWaalsContact O-OG1 3.07Å
170E88.4Confident84.5Confident3 Ų333.9 Ų33.91%0.01419%0.19CC..Hα-helixtrans-63.3-29.4-178.5-73.4177.7163.400113Q166 I172 R174Q166-E170 HydrophobicContact CG-CG 3.94Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.28Å; Q166-E170 PolarHBondContact NE2-OE1 2.61Å; Q166-E170 VanDerWaalsContact O-CB 3.3Å; Q166-E170 WeakPolarHBondContact O-CB 3.22Å; Q166-E170 VanDerWaalsContact O-CG 3.26Å; Q166-E170 WeakPolarHBondContact O-CG 3.45Å; Q166-E170 PolarHBondContact O-N 2.83Å; E170-I172 PolarHBondContact O-N 3.12Å; E170-R174 HydrophobicContact CB-CG 4.44Å; E170-R174 HydrophobicContact CG-CG 4.3Å; E170-R174 WeakPolarHBondContact O-CB 3.42Å; E170-R174 PolarHBondContact O-N 3.31Å; E170-R174 IonicContact OE1-CZ 3.78Å; E170-R174 IonicContact OE1-NE 3.96Å; E170-R174 IonicContact OE1-NH1 3.3Å; E170-R174 PolarHBondContact OE1-NH1 2.83Å; E170-R174 IonicContact OE1-NH2 2.7Å
171L86.3Confident84.4Confident6 Ų636.6 Ų36.63%0.03120%0.203CC..Hα-helixtrans-62.3-25.6173.4-78.4174.7000113.3I168 A169 V180 L233 N235I168-L171 PolarHBondContact O-N 2.97Å; A169-L171 PolarHBondContact O-N 3.02Å; L171-V180 HydrophobicContact CD2-CG2 4.18Å; L171-L233 HydrophobicContact CD1-CD1 3.65Å; L171-L233 HydrophobicContact CD1-CD2 3.72Å; L171-L233 HydrophobicContact CD1-CG 3.48Å; L171-L233 VanDerWaalsContact CD1-CG 3.48Å; L171-N235 HydrophobicContact CD1-CB 3.8Å; L171-N235 HydrophobicContact CD2-CB 3.82Å; L171-N235 HydrophobicContact CG-CB 3.64Å
172I87.1Confident84.3Confident59 Ų5939 Ų3930%0.30321%0.214SC..Hα-helixtrans-98.4-43.6-178.3-54.4163.7000110.1M69 A169 E170 F182 V185M69-I172 HydrophobicContact SD-CD1 3.79Å; A169-I172 PolarHBondContact O-N 3.1Å; E170-I172 PolarHBondContact O-N 3.12Å; I172-F182 HydrophobicContact CD1-CD2 4.03Å; I172-F182 HydrophobicContact CD1-CE2 4.37Å; I172-F182 HydrophobicContact CG2-CD2 4.29Å; I172-V185 HydrophobicContact CD1-CB 4.38Å; I172-V185 HydrophobicContact CD1-CG1 4.09Å; I172-V185 HydrophobicContact CD1-CG2 4.33Å; I172-V185 HydrophobicContact CG1-CB 4.4Å; I172-V185 HydrophobicContact CG1-CG2 3.87Å
173T84.1Confident84.4Confident46 Ų4640.2 Ų40.228%0.28223%0.229SC..Hα-helixtrans-94.9-29.1-166.462.90000113.8E7 A169E7-T173 VanDerWaalsContact O-CB 3.26Å; E7-T173 WeakPolarHBondContact O-CB 3.13Å; E7-T173 PolarHBondContact O-OG1 3.29Å; A169-T173 PolarHBondContact O-N 2.9Å; A169-T173 PolarHBondContact O-OG1 3.18Å; A169-T173 VanDerWaalsContact O-OG1 3.07Å
174R79.9Confident84.4Confident44 Ų4442.8 Ų42.817%0.16624%0.238CC..SBendtrans-93.8134.4-179.7-76.3-171.3171.5180-4.8110.8E7 E170 G176 D271E7-R174 IonicContact OE2-NE 3.93Å; E170-R174 HydrophobicContact CB-CG 4.44Å; E170-R174 HydrophobicContact CG-CG 4.3Å; E170-R174 WeakPolarHBondContact O-CB 3.42Å; E170-R174 PolarHBondContact O-N 3.31Å; E170-R174 IonicContact OE1-CZ 3.78Å; E170-R174 IonicContact OE1-NE 3.96Å; E170-R174 IonicContact OE1-NH1 3.3Å; E170-R174 PolarHBondContact OE1-NH1 2.83Å; E170-R174 IonicContact OE1-NH2 2.7Å; R174-G176 PolarHBondContact O-N 2.91Å; R174-D271 IonicContact CZ-OD2 2.7Å; R174-D271 IonicContact NH1-OD2 2.69Å; R174-D271 PolarHBondContact NH1-OD2 3.22Å; R174-D271 IonicContact NH2-OD2 2.74Å
175P71.2Confident84.5Confident98 Ų9842.8 Ų42.864%0.63624%0.238SC*.  trans-59.2125167.1-21.633000110.9
176G71.1Confident84.5Confident14 Ų1448.3 Ų48.314%0.14426%0.259CS..  trans-107.3173.7169.900000112.6R174 M178 N179 T268R174-G176 PolarHBondContact O-N 2.91Å; G176-M178 VanDerWaalsContact C-N 3.32Å; G176-N179 WeakPolarHBondContact CA-OD1 3.34Å; G176-N179 PolarHBondContact N-OD1 3.01Å; G176-N179 PolarHBondContact O-OD1 3.41Å; G176-T268 WeakPolarHBondContact CA-O 3.34Å
177L73.4Confident84.5Confident114 Ų11450.8 Ų50.860%0.59728%0.276SS*.SBendtrans-70.6-35.2164.2-64.6176.2000110.7L242 T268 L270L177-L242 HydrophobicContact CD1-CD2 4.35Å; L177-T268 PolarHBondContact N-OG1 2.78Å; L177-L270 HydrophobicContact CD1-CD2 4.46Å; L177-L270 HydrophobicContact CD2-CD1 4.18Å; L177-L270 HydrophobicContact CG-CD1 4.23Å; L177-L270 HydrophobicContact CG-CD2 4.25Å; L177-L270 HydrophobicContact CG-CG 4.49Å
178M72.5Confident84.5Confident79 Ų7950.6 Ų50.639%0.38927%0.274SS..SBendtrans-121.5102.8168.5-79.1174.3-80.300109.1G176 F247 T268G176-M178 VanDerWaalsContact C-N 3.32Å; M178-F247 HydrophobicContact CE-CD1 3.61Å; M178-F247 HydrophobicContact CE-CD2 3.32Å; M178-F247 HydrophobicContact CE-CE1 3.46Å; M178-F247 VanDerWaalsContact CE-CE1 3.46Å; M178-F247 HydrophobicContact CE-CE2 3.17Å; M178-F247 HydrophobicContact CE-CG 3.54Å; M178-F247 HydrophobicContact CE-CZ 3.23Å; M178-F247 HydrophobicContact SD-CE1 3.84Å; M178-F247 HydrophobicContact SD-CE2 3.99Å; M178-F247 HydrophobicContact SD-CZ 3.53Å; M178-F247 VanDerWaalsContact SD-CZ 3.53Å; M178-T268 HydrophobicContact CE-CG2 4.14Å; M178-T268 PolarHBondContact N-OG1 2.9Å; M178-T268 PolarHBondContact O-N 3Å; M178-T268 PolarHBondContact O-OG1 3.33Å
179N75.8Confident84.5Confident116 Ų11650.6 Ų50.662%0.6227%0.274SS*.PPolyproline II helixtrans-77.3136.3176.1-64-38.6000109.7G176G176-N179 WeakPolarHBondContact CA-OD1 3.34Å; G176-N179 PolarHBondContact N-OD1 3.01Å; G176-N179 PolarHBondContact O-OD1 3.41Å
180V84.4Confident84.4Confident14 Ų1452.2 Ų52.29%0.08529%0.286CS..PPolyproline II helixtrans-96133.9169.8177.60000107.1L171 D184 V185 V265 G267L171-V180 HydrophobicContact CD2-CG2 4.18Å; V180-D184 HydrophobicContact CG1-CB 3.78Å; V180-V185 HydrophobicContact CG1-CG2 3.66Å; V180-V265 HydrophobicContact CB-CG1 4.27Å; V180-V265 HydrophobicContact CG1-CG1 3.36Å; V180-V265 HydrophobicContact CG2-CG1 3.81Å; V180-G267 VanDerWaalsContact CG2-CA 3.47Å
181D87.2Confident84Confident85 Ų8554.7 Ų54.746%0.45530%0.297SS..PPolyproline II helixtrans-80.8158.6176.777.837.5000111.5A183 D184 V185D181-A183 PolarHBondContact O-N 2.83Å; D181-A183 VanDerWaalsContact OD1-CA 3.31Å; D181-A183 WeakPolarHBondContact OD1-CA 3.43Å; D181-A183 VanDerWaalsContact OD1-CB 3.29Å; D181-A183 WeakPolarHBondContact OD1-CB 3.44Å; D181-A183 PolarHBondContact OD1-N 3.09Å; D181-D184 PolarHBondContact O-N 2.87Å; D181-D184 PolarHBondContact OD1-N 3.44Å; D181-V185 PolarHBondContact O-N 3.23Å
182F89.1Confident83.1Confident63 Ų6360 Ų6028%0.27632%0.323SS..Hα-helixtrans-63.1-27.9179.9-179.5-111000112.5D68 M69 L98 I172 V185 R186D68-F182 HydrophobicContact CB-CE1 4.22Å; D68-F182 HydrophobicContact CB-CZ 4.12Å; M69-F182 HydrophobicContact CB-CE2 3.87Å; M69-F182 HydrophobicContact CB-CZ 4.11Å; M69-F182 HydrophobicContact CG-CE2 4.41Å; M69-F182 HydrophobicContact SD-CE2 4.06Å; L98-F182 HydrophobicContact CB-CZ 4.14Å; L98-F182 HydrophobicContact CD2-CE2 3.89Å; L98-F182 HydrophobicContact CD2-CZ 3.86Å; I172-F182 HydrophobicContact CD1-CD2 4.03Å; I172-F182 HydrophobicContact CD1-CE2 4.37Å; I172-F182 HydrophobicContact CG2-CD2 4.29Å; F182-V185 PolarHBondContact O-N 2.86Å; F182-R186 WeakPolarHBondContact O-CB 3.24Å; F182-R186 PolarHBondContact O-N 3.31Å
183A90.1Very high82.5Confident56 Ų5658.6 Ų58.646%0.46332%0.323SS..Hα-helixtrans-71.1-35179.700000111.7D181 R186 T187D181-A183 PolarHBondContact O-N 2.83Å; D181-A183 VanDerWaalsContact OD1-CA 3.31Å; D181-A183 WeakPolarHBondContact OD1-CA 3.43Å; D181-A183 VanDerWaalsContact OD1-CB 3.29Å; D181-A183 WeakPolarHBondContact OD1-CB 3.44Å; D181-A183 PolarHBondContact OD1-N 3.09Å; A183-R186 PolarHBondContact O-N 2.94Å; A183-T187 WeakPolarHBondContact O-CB 3.19Å; A183-T187 PolarHBondContact O-N 3.38Å; A183-T187 PolarHBondContact O-OG1 3.11Å
184D90.2Very high82.6Confident72 Ų7260.6 Ų60.639%0.38533%0.326SS..Hα-helixtrans-64.6-49.2172.7-72.9-25.1000110.5V180 D181 R186 T187 V188 V265V180-D184 HydrophobicContact CG1-CB 3.78Å; D181-D184 PolarHBondContact O-N 2.87Å; D181-D184 PolarHBondContact OD1-N 3.44Å; D184-R186 VanDerWaalsContact C-N 3.33Å; D184-R186 PolarHBondContact O-N 2.9Å; D184-T187 PolarHBondContact O-N 3.27Å; D184-V188 PolarHBondContact O-N 3.17Å; D184-V265 HydrophobicContact CB-CG1 4.26Å; D184-V265 HydrophobicContact CB-CG2 4.21Å
185V90.9Very high83.1Confident0 Ų058.5 Ų58.50%032%0.318CS..Hα-helixtrans-60.7-45.1175.8-179.40000110.6I168 I172 V180 D181 F182 T187 V188 M189 L233I168-V185 HydrophobicContact CG2-CG1 4.21Å; I172-V185 HydrophobicContact CD1-CB 4.38Å; I172-V185 HydrophobicContact CD1-CG1 4.09Å; I172-V185 HydrophobicContact CD1-CG2 4.33Å; I172-V185 HydrophobicContact CG1-CB 4.4Å; I172-V185 HydrophobicContact CG1-CG2 3.87Å; V180-V185 HydrophobicContact CG1-CG2 3.66Å; D181-V185 PolarHBondContact O-N 3.23Å; F182-V185 PolarHBondContact O-N 2.86Å; V185-T187 VanDerWaalsContact C-N 3.31Å; V185-T187 PolarHBondContact O-N 2.76Å; V185-V188 PolarHBondContact O-N 2.84Å; V185-M189 HydrophobicContact CG1-CG 3.91Å; V185-M189 VanDerWaalsContact O-CB 3.23Å; V185-M189 WeakPolarHBondContact O-CB 3.27Å; V185-M189 WeakPolarHBondContact O-CG 3.23Å; V185-M189 PolarHBondContact O-N 2.92Å; V185-L233 HydrophobicContact CG1-CD2 4.24Å; V185-L233 HydrophobicContact CG2-CD1 4.32Å
186R91.6Very high84Confident118 Ų11855.5 Ų55.545%0.44530%0.296SS..Hα-helixtrans-59.4-42.3176.6-173.1177.1-164.2-80-1.1111.5L98 F182 A183 D184 M189 S190L98-R186 HydrophobicContact CD1-CG 4.26Å; L98-R186 HydrophobicContact CD2-CB 4.05Å; L98-R186 HydrophobicContact CD2-CG 4.15Å; F182-R186 WeakPolarHBondContact O-CB 3.24Å; F182-R186 PolarHBondContact O-N 3.31Å; A183-R186 PolarHBondContact O-N 2.94Å; D184-R186 VanDerWaalsContact C-N 3.33Å; D184-R186 PolarHBondContact O-N 2.9Å; R186-M189 PolarHBondContact O-N 2.83Å; R186-S190 WeakPolarHBondContact O-CB 3.43Å; R186-S190 PolarHBondContact O-N 2.8Å; R186-S190 PolarHBondContact O-OG 3.42Å
187T90.3Very high84.9Confident74 Ų7455.1 Ų55.145%0.45429%0.291SS..Hα-helixtrans-62.2-48.4179.2-610000111A183 D184 V185A183-T187 WeakPolarHBondContact O-CB 3.19Å; A183-T187 PolarHBondContact O-N 3.38Å; A183-T187 PolarHBondContact O-OG1 3.11Å; D184-T187 PolarHBondContact O-N 3.27Å; V185-T187 VanDerWaalsContact C-N 3.31Å; V185-T187 PolarHBondContact O-N 2.76Å
188V90.7Very high85.8Confident0 Ų049.7 Ų49.70%026%0.263CS..Hα-helixtrans-66.5-38.4178.4172.80000112.2D184 V185 E191 L233 T263 V265 T285D184-V188 PolarHBondContact O-N 3.17Å; V185-V188 PolarHBondContact O-N 2.84Å; V188-E191 WeakPolarHBondContact O-CB 3.5Å; V188-L233 HydrophobicContact CG1-CB 4.11Å; V188-T263 HydrophobicContact CG2-CG2 3.87Å; V188-V265 HydrophobicContact CG2-CB 4.12Å; V188-V265 HydrophobicContact CG2-CG2 3.49Å; V188-V265 VanDerWaalsContact CG2-CG2 3.49Å; V188-T285 HydrophobicContact CG1-CG2 4.39Å; V188-T285 PolarHBondContact O-OG1 3.15Å
189M90.6Very high86.8Confident0 Ų049 Ų490%027%0.265CS..Hα-helixtrans-83.2-20.2-176.9-67.5-61-127.900113.8L98 V100 D130 S131 I168 V185 R186 E191 V283 T285L98-M189 HydrophobicContact CD1-CB 4.26Å; L98-M189 HydrophobicContact CD2-CB 4.44Å; V100-M189 HydrophobicContact CG1-CE 4.2Å; V100-M189 HydrophobicContact CG2-CB 4.43Å; V100-M189 HydrophobicContact CG2-CE 4.25Å; D130-M189 CarbonylContact C-O 3.57Å; S131-M189 WeakPolarHBondContact CB-O 3.25Å; I168-M189 HydrophobicContact CB-CE 4.32Å; I168-M189 HydrophobicContact CD1-CE 3.27Å; I168-M189 HydrophobicContact CG1-CE 3.67Å; I168-M189 HydrophobicContact CG2-CE 3.67Å; V185-M189 HydrophobicContact CG1-CG 3.91Å; V185-M189 VanDerWaalsContact O-CB 3.23Å; V185-M189 WeakPolarHBondContact O-CB 3.27Å; V185-M189 WeakPolarHBondContact O-CG 3.23Å; V185-M189 PolarHBondContact O-N 2.92Å; R186-M189 PolarHBondContact O-N 2.83Å; M189-E191 VanDerWaalsContact C-N 3.26Å; M189-V283 HydrophobicContact CE-CG1 4.29Å; M189-V283 HydrophobicContact SD-CG1 4.47Å; M189-T285 HydrophobicContact SD-CG2 3.74Å
190S86.7Confident87.6Confident36 Ų3643.5 Ų43.525%0.25224%0.236SC..THydrogen-bonded Turntrans-80.6-5.7171.7-72.30000113.1R186 M192R186-S190 WeakPolarHBondContact O-CB 3.43Å; R186-S190 PolarHBondContact O-N 2.8Å; R186-S190 PolarHBondContact O-OG 3.42Å; S190-M192 PolarHBondContact O-N 3.18Å
191E80Confident88.1Confident54 Ų5445.8 Ų45.825%0.25225%0.25SS..SBendtrans-6399.3165.2-70.2-60.2144.900109.1V188 M189 R230V188-E191 WeakPolarHBondContact O-CB 3.5Å; M189-E191 VanDerWaalsContact C-N 3.26Å; E191-R230 HydrophobicContact CB-CB 4.36Å; E191-R230 HydrophobicContact CG-CB 4.1Å; E191-R230 VanDerWaalsContact OE2-CD 3.3Å; E191-R230 WeakPolarHBondContact OE2-CD 3.3Å; E191-R230 IonicContact OE2-NH1 2.87Å
192M68.9Low88.6Confident118 Ų11842.2 Ų42.258%0.58123%0.233SC*.  trans-52.3141.8-174.4-69.3-110.5-68.500111.7S190 M289S190-M192 PolarHBondContact O-N 3.18Å; M192-M289 HydrophobicContact CB-SD 4.38Å
193G74.7Confident89Confident29 Ų2942.5 Ų42.530%0.29924%0.242SC..EExtended strand (participates in β ladder)trans127.9-158.7165.600000113.5L132L132-G193 PolarHBondContact N-O 3.31Å
194Y86.2Confident89.2Confident88 Ų8841 Ų4135%0.34523%0.233SC..EExtended strand (participates in β ladder)trans-77.6139.7178.5-67.9-85000109.6I122 L132 T134 G286 I287I122-Y194 HydrophobicContact CG2-CE1 3.94Å; L132-Y194 HydrophobicContact CD2-CD1 4.47Å; L132-Y194 HydrophobicContact CD2-CE1 4.08Å; T134-Y194 HydrophobicContact CG2-CD1 4.07Å; T134-Y194 HydrophobicContact CG2-CE1 4.23Å; Y194-G286 PolarHBondContact O-N 3.09Å; Y194-I287 PolarHBondContact O-N 2.96Å; Y194-I287 VanDerWaalsContact O-N 3.09Å
195A89.1Confident89.2Confident0 Ų045.9 Ų45.90%025%0.253CS..EExtended strand (participates in β ladder)trans-123.5153.8172.600000109.7S131 L132 I133 T134 A284 T285S131-A195 VanDerWaalsContact OG-CB 3.23Å; S131-A195 WeakPolarHBondContact OG-CB 3.45Å; L132-A195 PolarHBondContact O-N 3.16Å; I133-A195 VanDerWaalsContact CA-O 3.24Å; I133-A195 WeakPolarHBondContact CA-O 3.44Å; I133-A195 HydrophobicContact CG1-CB 3.63Å; T134-A195 PolarHBondContact N-O 3.49Å; A195-A284 CarbonylContact C-O 3.57Å; A195-A284 WeakPolarHBondContact CA-O 3.49Å; A195-A284 WeakPolarHBondContact CB-O 3.44Å; A195-T285 HydrophobicContact CB-CG2 3.87Å
196M89.8Confident89.4Confident36 Ų3650.5 Ų50.518%0.17728%0.278CS..EExtended strand (participates in β ladder)trans-142152.7-178.3-68.5-90-156.600108.7T134 L221 I224 V283 A284 I287T134-M196 WeakPolarHBondContact OG1-CE 3.4Å; M196-L221 HydrophobicContact CB-CD2 3.67Å; M196-I224 HydrophobicContact CB-CD1 3.33Å; M196-I224 HydrophobicContact CE-CD1 4.08Å; M196-I224 HydrophobicContact CG-CD1 3.19Å; M196-I224 HydrophobicContact SD-CD1 3.98Å; M196-V283 WeakPolarHBondContact O-CA 3.38Å; M196-A284 PolarHBondContact N-O 2.97Å; M196-A284 PolarHBondContact O-N 2.83Å; M196-I287 HydrophobicContact CB-CD1 4.01Å; M196-I287 HydrophobicContact CG-CD1 4.15Å
197M91Very high89.7Confident5 Ų545 Ų453%0.02526%0.257CS..EExtended strand (participates in β ladder)trans-128.4137.4-170.1-178.5-136.9172.800110.6I133 G163 A164 L220 T281 V282 V283I133-M197 HydrophobicContact CG2-CB 4.35Å; G163-M197 WeakPolarHBondContact O-CE 3.35Å; A164-M197 WeakPolarHBondContact CA-SD 3.26Å; A164-M197 HydrophobicContact CB-CE 4.44Å; A164-M197 HydrophobicContact CB-CG 4.37Å; A164-M197 HydrophobicContact CB-SD 3.47Å; A164-M197 WeakPolarHBondContact CB-SD 3.46Å; A164-M197 PolarHBondContact N-SD 2.89Å; A164-M197 VanDerWaalsContact N-SD 3.4Å; M197-L220 WeakPolarHBondContact O-CB 3.43Å; M197-T281 HydrophobicContact CE-CG2 3.39Å; M197-T281 HydrophobicContact CG-CG2 4.2Å; M197-V282 CarbonylContact C-O 3.55Å; M197-V282 VanDerWaalsContact CA-O 3.25Å; M197-V282 WeakPolarHBondContact CA-O 3.5Å; M197-V283 HydrophobicContact CB-CG2 4.37Å; M197-V283 HydrophobicContact CG-CG2 4.05Å
198G92.1Very high90Very high1 Ų141.6 Ų41.61%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-125151.7166.800000111.1A215 T281 V282G198-A215 WeakPolarHBondContact CA-O 3.08Å; G198-T281 WeakPolarHBondContact O-CA 2.98Å; G198-V282 PolarHBondContact N-O 3.16Å; G198-V282 PolarHBondContact O-N 2.84Å
199S92.7Very high90.2Very high63 Ų6346.1 Ų46.144%0.44126%0.258SS..EExtended strand (participates in β ladder)trans-144142.3175.158.70000110.9V280S199-V280 CarbonylContact C-O 3.58Å; S199-V280 WeakPolarHBondContact CA-O 3.37Å
200G93.7Very high90.5Very high2 Ų250.5 Ų50.52%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-131148.3173.200000110.5A211 R279 V280G200-A211 WeakPolarHBondContact CA-O 3.42Å; G200-R279 CarbonylContact O-C 3.53Å; G200-R279 VanDerWaalsContact O-CA 3.26Å; G200-R279 WeakPolarHBondContact O-CA 3.33Å; G200-V280 PolarHBondContact N-O 3.04Å; G200-V280 PolarHBondContact O-N 3.11Å
201V95.1Very high91Very high62 Ų6248.8 Ų48.838%0.37627%0.266SS..EExtended strand (participates in β ladder)trans-133.7129.6171.9-175.80000106.8L278 R279V201-L278 WeakPolarHBondContact CA-O 3.43Å; V201-R279 HydrophobicContact CG2-CB 3.95Å; V201-R279 HydrophobicContact CG2-CG 3.79Å
202A97.4Very high91.8Very high10 Ų1046.2 Ų46.28%0.08325%0.254CS..EExtended strand (participates in β ladder)trans-142.616917700000110.6R207 E210 A211 E277 L278A202-R207 HydrophobicContact CB-CB 4.07Å; A202-R207 WeakPolarHBondContact CB-O 3.31Å; A202-E210 HydrophobicContact CB-CB 3.61Å; A202-A211 HydrophobicContact CB-CB 4.04Å; A202-E277 WeakPolarHBondContact O-CA 3.49Å; A202-L278 PolarHBondContact N-O 2.94Å; A202-L278 PolarHBondContact O-N 3.23Å
203S96.4Very high93Very high69 Ų6945.3 Ų45.348%0.48325%0.249SC..EExtended strand (participates in β ladder)trans-142.1158.1-177.7610000111.3D276S203-D276 WeakPolarHBondContact CA-O 3.37Å; S203-D276 WeakPolarHBondContact CB-O 3.37Å
204G94.6Very high93.9Very high25 Ų2548.4 Ų48.426%0.25826%0.256SS..SBendtrans90.7-166.3-178.900000114.3D206 R207 D276G204-D206 PolarHBondContact O-N 3.35Å; G204-R207 WeakPolarHBondContact O-CB 3.25Å; G204-R207 VanDerWaalsContact O-CG 3.23Å; G204-R207 WeakPolarHBondContact O-CG 3.37Å; G204-R207 PolarHBondContact O-N 3.35Å; G204-D276 PolarHBondContact N-O 3.31Å; G204-D276 PolarHBondContact N-OD1 2.71Å
205E91.5Very high94.2Very high173 Ų17344.2 Ų44.281%0.80824%0.24SC*.THydrogen-bonded Turntrans-61.9-41.3-169.8-66.3-169.515600113
206D94.7Very high94.3Very high98 Ų9845.2 Ų45.252%0.52425%0.245SC..THydrogen-bonded Turntrans-94.412.4-176.6-60-41.7000113.3G204 A208 E209 E210G204-D206 PolarHBondContact O-N 3.35Å; D206-A208 PolarHBondContact O-N 3.29Å; D206-E209 PolarHBondContact O-N 3.29Å; D206-E209 VanDerWaalsContact O-N 3.09Å; D206-E210 HydrophobicContact CB-CG 4.33Å; D206-E210 PolarHBondContact O-N 2.96Å
207R96.8Very high94.3Very high1 Ų147.6 Ų47.60%0.00427%0.265CS..Hα-helixtrans-56-30.7-17369.2-177.3-175.3178.3-4.7114.4A202 G204 A211 D241 E246 L278A202-R207 HydrophobicContact CB-CB 4.07Å; A202-R207 WeakPolarHBondContact CB-O 3.31Å; G204-R207 WeakPolarHBondContact O-CB 3.25Å; G204-R207 VanDerWaalsContact O-CG 3.23Å; G204-R207 WeakPolarHBondContact O-CG 3.37Å; G204-R207 PolarHBondContact O-N 3.35Å; R207-A211 WeakPolarHBondContact O-CB 3.34Å; R207-A211 PolarHBondContact O-N 2.87Å; R207-D241 IonicContact CZ-OD2 4Å; R207-D241 IonicContact NH1-OD1 2.74Å; R207-D241 IonicContact NH1-OD2 3.16Å; R207-D241 PolarHBondContact NH1-OD2 3.44Å; R207-D241 PolarHBondContact NH2-O 2.98Å; R207-D241 IonicContact NH2-OD1 3.44Å; R207-D241 IonicContact NH2-OD2 3.61Å; R207-D241 PolarHBondContact NH2-OD2 2.98Å; R207-E246 WeakPolarHBondContact CG-OE1 3.14Å; R207-E246 IonicContact CZ-OE1 2.68Å; R207-E246 IonicContact CZ-OE2 3.77Å; R207-E246 IonicContact NE-OE1 3.4Å; R207-E246 PolarHBondContact NE-OE1 3.47Å; R207-E246 IonicContact NE-OE2 3.23Å; R207-E246 IonicContact NH2-OE1 3.76Å; R207-E246 PolarHBondContact NH2-OE1 2.87Å; R207-E246 IonicContact NH2-OE2 3.75Å; R207-E246 PolarHBondContact NH2-OE2 3.5Å; R207-L278 HydrophobicContact CB-CB 4.32Å; R207-L278 HydrophobicContact CG-CB 3.8Å; R207-L278 HydrophobicContact CG-CD1 4.38Å
208A96.6Very high94.3Very high4 Ų448.1 Ų48.13%0.03327%0.269CS..Hα-helixtrans-68.9-47.2179.300000112D206 A212 E246 T249 V250 L278D206-A208 PolarHBondContact O-N 3.29Å; A208-A212 VanDerWaalsContact O-CB 3.29Å; A208-A212 WeakPolarHBondContact O-CB 3.37Å; A208-A212 PolarHBondContact O-N 3.11Å; A208-A212 VanDerWaalsContact O-N 3.12Å; A208-E246 HydrophobicContact CB-CB 3.61Å; A208-E246 HydrophobicContact CB-CG 3.83Å; A208-T249 HydrophobicContact CB-CG2 4.25Å; A208-V250 HydrophobicContact CB-CG2 4.14Å; A208-V250 WeakPolarHBondContact O-CG2 3.45Å; A208-L278 HydrophobicContact CB-CD1 4.17Å
209E96.3Very high94Very high94 Ų9449.9 Ų49.944%0.43928%0.281SS..Hα-helixtrans-67.3-50.3178.1-171.8167.7-165.700109.8D206 A211 A212 E213 T249D206-E209 PolarHBondContact O-N 3.29Å; D206-E209 VanDerWaalsContact O-N 3.09Å; E209-A211 PolarHBondContact O-N 2.77Å; E209-A212 PolarHBondContact O-N 2.7Å; E209-E213 HydrophobicContact CG-CG 4.45Å; E209-E213 WeakPolarHBondContact O-CB 3.04Å; E209-E213 WeakPolarHBondContact O-CG 3.38Å; E209-E213 PolarHBondContact O-N 2.77Å; E209-T249 HydrophobicContact CB-CG2 3.85Å; E209-T249 HydrophobicContact CG-CG2 4.48Å
210E96.7Very high93.8Very high93 Ų9347.6 Ų47.644%0.43526%0.264SS..Hα-helixtrans-59-46.4-179.9-69.5-174.6178.600112.4A202 D206 A212 E213 M214A202-E210 HydrophobicContact CB-CB 3.61Å; D206-E210 HydrophobicContact CB-CG 4.33Å; D206-E210 PolarHBondContact O-N 2.96Å; E210-A212 PolarHBondContact O-N 2.72Å; E210-E213 PolarHBondContact O-N 3.47Å; E210-M214 WeakPolarHBondContact O-CB 3.35Å; E210-M214 VanDerWaalsContact O-CG 3.24Å; E210-M214 WeakPolarHBondContact O-CG 3.36Å; E210-M214 PolarHBondContact O-N 3.44Å
211A97.4Very high93.3Very high0 Ų048 Ų480%027%0.265CS..Hα-helixtrans-66.9-37.6179.300000112G200 A202 R207 E209 A215 L278 V280G200-A211 WeakPolarHBondContact CA-O 3.42Å; A202-A211 HydrophobicContact CB-CB 4.04Å; R207-A211 WeakPolarHBondContact O-CB 3.34Å; R207-A211 PolarHBondContact O-N 2.87Å; E209-A211 PolarHBondContact O-N 2.77Å; A211-A215 WeakPolarHBondContact O-CB 3.39Å; A211-A215 PolarHBondContact O-N 2.99Å; A211-L278 HydrophobicContact CB-CD2 3.77Å; A211-V280 HydrophobicContact CB-CB 4.32Å; A211-V280 HydrophobicContact CB-CG2 3.79Å
212A95.6Very high92.3Very high0 Ų048.7 Ų48.70%026%0.264CS..Hα-helixtrans-65.5-46.8175.500000111.3A208 E209 E210 A215 I216 V250 T253 V280A208-A212 VanDerWaalsContact O-CB 3.29Å; A208-A212 WeakPolarHBondContact O-CB 3.37Å; A208-A212 PolarHBondContact O-N 3.11Å; A208-A212 VanDerWaalsContact O-N 3.12Å; E209-A212 PolarHBondContact O-N 2.7Å; E210-A212 PolarHBondContact O-N 2.72Å; A212-A215 WeakPolarHBondContact O-CB 3.19Å; A212-A215 PolarHBondContact O-N 2.79Å; A212-I216 WeakPolarHBondContact O-CG1 3.33Å; A212-I216 PolarHBondContact O-N 3.18Å; A212-V250 HydrophobicContact CB-CB 4.42Å; A212-V250 HydrophobicContact CB-CG1 4.18Å; A212-V250 HydrophobicContact CB-CG2 4.24Å; A212-T253 HydrophobicContact CB-CG2 3.84Å; A212-V280 HydrophobicContact CB-CG2 4.47Å
213E94.4Very high91Very high99 Ų9955 Ų5546%0.46330%0.296SS..Hα-helixtrans-58.9-47.9176.6-74.8-168.3160.400111.5E209 E210 A215 I216 S217E209-E213 HydrophobicContact CG-CG 4.45Å; E209-E213 WeakPolarHBondContact O-CB 3.04Å; E209-E213 WeakPolarHBondContact O-CG 3.38Å; E209-E213 PolarHBondContact O-N 2.77Å; E210-E213 PolarHBondContact O-N 3.47Å; E213-A215 VanDerWaalsContact C-N 3.28Å; E213-A215 PolarHBondContact O-N 3.36Å; E213-I216 WeakPolarHBondContact O-CG1 3.34Å; E213-I216 PolarHBondContact O-N 3.03Å; E213-S217 VanDerWaalsContact O-CB 3.22Å; E213-S217 WeakPolarHBondContact O-CB 3.32Å; E213-S217 PolarHBondContact O-N 3.03Å; E213-S217 PolarHBondContact O-OG 3.08Å
214M93.6Very high89.9Confident93 Ų9353.1 Ų53.146%0.45828%0.281SS..Hα-helixtrans-58.9-38.8175.9-76178.668.800112.6E210 S218E210-M214 WeakPolarHBondContact O-CB 3.35Å; E210-M214 VanDerWaalsContact O-CG 3.24Å; E210-M214 WeakPolarHBondContact O-CG 3.36Å; E210-M214 PolarHBondContact O-N 3.44Å; M214-S218 PolarHBondContact O-N 3.38Å
215A93.3Very high89Confident0 Ų057 Ų570%030%0.296CS..Hα-helixtrans-66-47.2179.200000111.4G198 A211 A212 E213 S218 L221 V280 V282G198-A215 WeakPolarHBondContact CA-O 3.08Å; A211-A215 WeakPolarHBondContact O-CB 3.39Å; A211-A215 PolarHBondContact O-N 2.99Å; A212-A215 WeakPolarHBondContact O-CB 3.19Å; A212-A215 PolarHBondContact O-N 2.79Å; E213-A215 VanDerWaalsContact C-N 3.28Å; E213-A215 PolarHBondContact O-N 3.36Å; A215-S218 VanDerWaalsContact O-CB 3.27Å; A215-S218 WeakPolarHBondContact O-CB 3.34Å; A215-S218 PolarHBondContact O-N 2.98Å; A215-L221 WeakPolarHBondContact O-CD1 3.49Å; A215-V280 HydrophobicContact CB-CB 4.2Å; A215-V280 HydrophobicContact CB-CG1 4.02Å; A215-V282 HydrophobicContact CB-CG2 3.86Å
216I91.3Very high88.2Confident21 Ų2149.7 Ų49.711%0.10826%0.262CS..Hα-helixtrans-74.9-28.2-179.963.9176.4000113.1A212 E213 S218 L226 T253 I254 F257A212-I216 WeakPolarHBondContact O-CG1 3.33Å; A212-I216 PolarHBondContact O-N 3.18Å; E213-I216 WeakPolarHBondContact O-CG1 3.34Å; E213-I216 PolarHBondContact O-N 3.03Å; I216-S218 PolarHBondContact O-N 3.42Å; I216-L226 HydrophobicContact CB-CD1 4.28Å; I216-L226 HydrophobicContact CG2-CD1 4.28Å; I216-T253 HydrophobicContact CD1-CG2 3.93Å; I216-I254 HydrophobicContact CG2-CD1 3.32Å; I216-F257 HydrophobicContact CD1-CD1 4.13Å; I216-F257 HydrophobicContact CD1-CD2 3.52Å; I216-F257 HydrophobicContact CD1-CE1 3.91Å; I216-F257 HydrophobicContact CD1-CE2 3.26Å; I216-F257 HydrophobicContact CD1-CG 3.95Å; I216-F257 HydrophobicContact CD1-CZ 3.47Å; I216-F257 VanDerWaalsContact CD1-CZ 3.47Å
217S89Confident87.3Confident87 Ų8747.8 Ų47.861%0.60826%0.256SS*.THydrogen-bonded Turntrans-88.210.2176.5800000112.9E213E213-S217 VanDerWaalsContact O-CB 3.22Å; E213-S217 WeakPolarHBondContact O-CB 3.32Å; E213-S217 PolarHBondContact O-N 3.03Å; E213-S217 PolarHBondContact O-OG 3.08Å
218S90.5Very high86.6Confident15 Ų1548.9 Ų48.911%0.10527%0.268CS..  trans-55.7134.9-179.9172.30000110.9M214 A215 I216 L220 L221 E222M214-S218 PolarHBondContact O-N 3.38Å; A215-S218 VanDerWaalsContact O-CB 3.27Å; A215-S218 WeakPolarHBondContact O-CB 3.34Å; A215-S218 PolarHBondContact O-N 2.98Å; I216-S218 PolarHBondContact O-N 3.42Å; S218-L220 PolarHBondContact O-N 3.41Å; S218-L220 PolarHBondContact OG-N 2.87Å; S218-L221 WeakPolarHBondContact O-CA 3.19Å; S218-L221 PolarHBondContact O-N 2.87Å; S218-E222 PolarHBondContact O-N 3.27Å
219P87.3Confident86.1Confident38 Ų3848.9 Ų48.925%0.24727%0.268CS..THydrogen-bonded Turntrans-60.5-15.1174.2-29.640.4000114.7V143 L221 E222V143-P219 HydrophobicContact CG2-CB 4.34Å; V143-P219 HydrophobicContact CG2-CG 3.58Å; P219-L221 VanDerWaalsContact C-N 3.34Å; P219-E222 VanDerWaalsContact O-CB 3.27Å; P219-E222 WeakPolarHBondContact O-CB 3.42Å; P219-E222 PolarHBondContact O-N 3.29Å
220L87.7Confident85.7Confident16 Ų1649.8 Ų49.88%0.08427%0.267CS..THydrogen-bonded Turntrans-79.1-20.5173.2-62.1174.8000112.8I135 P136 K139 L140 V160 M197 S218I135-L220 HydrophobicContact CG2-CD2 3.99Å; P136-L220 HydrophobicContact CG-CD2 4.35Å; K139-L220 HydrophobicContact CB-CD2 4.12Å; L140-L220 HydrophobicContact CD2-CD1 4.43Å; L140-L220 HydrophobicContact CD2-CD2 3.94Å; L140-L220 HydrophobicContact CD2-CG 4.46Å; V160-L220 HydrophobicContact CB-CD1 4.42Å; V160-L220 HydrophobicContact CG1-CD1 3.4Å; V160-L220 HydrophobicContact CG2-CD1 4.08Å; M197-L220 WeakPolarHBondContact O-CB 3.43Å; S218-L220 PolarHBondContact O-N 3.41Å; S218-L220 PolarHBondContact OG-N 2.87Å
221L83.3Confident85.4Confident9 Ų945.3 Ų45.35%0.04725%0.247CC..SBendtrans-93.70.1170.5-61.3178.5000112.4M196 A215 S218 P219 D223 I224M196-L221 HydrophobicContact CB-CD2 3.67Å; A215-L221 WeakPolarHBondContact O-CD1 3.49Å; S218-L221 WeakPolarHBondContact O-CA 3.19Å; S218-L221 PolarHBondContact O-N 2.87Å; P219-L221 VanDerWaalsContact C-N 3.34Å; L221-D223 PolarHBondContact O-N 2.63Å; L221-I224 HydrophobicContact CD2-CD1 4.21Å; L221-I224 VanDerWaalsContact O-CB 3.32Å; L221-I224 WeakPolarHBondContact O-CB 3.21Å; L221-I224 PolarHBondContact O-N 3.19Å; L221-I224 VanDerWaalsContact O-N 3.14Å
222E73Confident85.2Confident77 Ų7745.4 Ų45.436%0.3625%0.247SC..THydrogen-bonded Turntrans-62.1139.3175.8-165.9-174.2-164.300110.1K139 K142 S218 P219 I224K139-E222 WeakPolarHBondContact CD-OE2 3.45Å; K139-E222 IonicContact NZ-OE2 2.72Å; K139-E222 PolarHBondContact NZ-OE2 2.91Å; K142-E222 IonicContact NZ-OE1 3.63Å; K142-E222 PolarHBondContact NZ-OE1 3.34Å; K142-E222 IonicContact NZ-OE2 2.85Å; K142-E222 PolarHBondContact NZ-OE2 3.45Å; S218-E222 PolarHBondContact O-N 3.27Å; P219-E222 VanDerWaalsContact O-CB 3.27Å; P219-E222 WeakPolarHBondContact O-CB 3.42Å; P219-E222 PolarHBondContact O-N 3.29Å; E222-I224 VanDerWaalsContact C-N 3.27Å
223D71Confident85Confident142 Ų14245.6 Ų45.676%0.75925%0.248SC*.THydrogen-bonded Turntrans74.39.6-173.6-44.1-53.4000114.9K139 L221K139-D223 IonicContact NZ-OD2 2.96Å; K139-D223 PolarHBondContact NZ-OD2 3.13Å; L221-D223 PolarHBondContact O-N 2.63Å
224I73.6Confident85Confident30 Ų3040.9 Ų40.915%0.15423%0.226CC..  trans-113.1125.2177.4-54.3174.5000109.5M196 L221 E222 L226 I287M196-I224 HydrophobicContact CB-CD1 3.33Å; M196-I224 HydrophobicContact CE-CD1 4.08Å; M196-I224 HydrophobicContact CG-CD1 3.19Å; M196-I224 HydrophobicContact SD-CD1 3.98Å; L221-I224 HydrophobicContact CD2-CD1 4.21Å; L221-I224 VanDerWaalsContact O-CB 3.32Å; L221-I224 WeakPolarHBondContact O-CB 3.21Å; L221-I224 PolarHBondContact O-N 3.19Å; L221-I224 VanDerWaalsContact O-N 3.14Å; E222-I224 VanDerWaalsContact C-N 3.27Å; I224-L226 PolarHBondContact O-N 2.99Å; I224-I287 HydrophobicContact CD1-CD1 4.16Å; I224-I287 HydrophobicContact CG2-CD1 3.78Å; I224-I287 HydrophobicContact CG2-CG1 4.18Å; I224-I287 HydrophobicContact CG2-CG2 3.84Å
225D74.9Confident85Confident108 Ų10836.5 Ų36.558%0.57820%0.204SC*.  trans-84.5108.6165.1-169.2-12.8000108.7S227 G228D225-S227 PolarHBondContact O-N 3.37Å; D225-S227 VanDerWaalsContact OD1-CB 3.26Å; D225-S227 WeakPolarHBondContact OD1-CB 3.45Å; D225-S227 PolarHBondContact OD1-N 2.91Å; D225-S227 PolarHBondContact OD1-OG 3.3Å; D225-S227 PolarHBondContact OD2-OG 3.1Å; D225-G228 PolarHBondContact O-N 3.2Å
226L75.5Confident85.1Confident18 Ų1836.5 Ų36.59%0.09420%0.204CC..G310 helixtrans-60.5-21.4176.7-74.3172.3000112.1I216 I224 G228 A229 F257 A284I216-L226 HydrophobicContact CB-CD1 4.28Å; I216-L226 HydrophobicContact CG2-CD1 4.28Å; I224-L226 PolarHBondContact O-N 2.99Å; L226-G228 PolarHBondContact O-N 3.03Å; L226-A229 VanDerWaalsContact O-CB 3.32Å; L226-A229 WeakPolarHBondContact O-CB 3.48Å; L226-A229 PolarHBondContact O-N 3.24Å; L226-A229 VanDerWaalsContact O-N 3.11Å; L226-F257 CarbonylContact C-O 3.51Å; L226-F257 HydrophobicContact CB-CB 4.43Å; L226-F257 WeakPolarHBondContact CB-O 3.35Å; L226-F257 HydrophobicContact CD1-CB 4Å; L226-A284 HydrophobicContact CD2-CB 3.54Å
227S76.6Confident85.2Confident58 Ų5835.5 Ų35.541%0.40620%0.199SC..G310 helixtrans-69.1-17.2172.676.90000112.9D225 F257 S259D225-S227 PolarHBondContact O-N 3.37Å; D225-S227 VanDerWaalsContact OD1-CB 3.26Å; D225-S227 WeakPolarHBondContact OD1-CB 3.45Å; D225-S227 PolarHBondContact OD1-N 2.91Å; D225-S227 PolarHBondContact OD1-OG 3.3Å; D225-S227 PolarHBondContact OD2-OG 3.1Å; S227-F257 PolarHBondContact N-O 3.35Å; S227-S259 WeakPolarHBondContact O-CB 3.37Å
228G81.7Confident85.5Confident24 Ų2431.3 Ų31.325%0.24717%0.17CC..G310 helixtrans-85-7.3171.700000114.2D225 L226D225-G228 PolarHBondContact O-N 3.2Å; L226-G228 PolarHBondContact O-N 3.03Å
229A85.9Confident85.5Confident4 Ų430.7 Ų30.73%0.03317%0.166CC..  trans-73.6141178.700000110.8L226 V232 A262 A284 I287L226-A229 VanDerWaalsContact O-CB 3.32Å; L226-A229 WeakPolarHBondContact O-CB 3.48Å; L226-A229 PolarHBondContact O-N 3.24Å; L226-A229 VanDerWaalsContact O-N 3.11Å; A229-V232 HydrophobicContact CB-CG2 4.2Å; A229-A262 WeakPolarHBondContact O-CB 3.34Å; A229-A284 HydrophobicContact CB-CB 4.1Å; A229-I287 HydrophobicContact CB-CG1 4.4Å
230R88.1Confident85.6Confident113 Ų11336.6 Ų36.643%0.42619%0.188SC..SBendtrans-92.4-26.8175.3-66.3-172.9177.5-168.8-0.1112.6E191 A262 T263 T285E191-R230 HydrophobicContact CB-CB 4.36Å; E191-R230 HydrophobicContact CG-CB 4.1Å; E191-R230 VanDerWaalsContact OE2-CD 3.3Å; E191-R230 WeakPolarHBondContact OE2-CD 3.3Å; E191-R230 IonicContact OE2-NH1 2.87Å; R230-A262 CarbonylContact O-C 3.45Å; R230-A262 WeakPolarHBondContact O-CA 3.36Å; R230-T263 PolarHBondContact O-N 3.13Å; R230-T285 PolarHBondContact N-O 2.95Å
231G90.4Very high85.7Confident0 Ų038.6 Ų38.60%020%0.199CC..EExtended strand (participates in β ladder)trans-134.5141.2177.800000110.4T263 T285G231-T263 CarbonylContact C-O 3.57Å; G231-T263 WeakPolarHBondContact CA-O 3.3Å; G231-T285 WeakPolarHBondContact CA-OG1 3.43Å; G231-T285 PolarHBondContact N-O 3.3Å; G231-T285 PolarHBondContact O-N 3.25Å; G231-T285 PolarHBondContact O-OG1 3.11Å
232V91.7Very high86.1Confident2 Ų239.1 Ų39.11%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-133.9118.3173.3-175.30000108.1A229 V234 I254 A258 T263 V264 V265 V282 V283A229-V232 HydrophobicContact CB-CG2 4.2Å; V232-V234 HydrophobicContact CG1-CG2 3.98Å; V232-I254 HydrophobicContact CG1-CG2 3.88Å; V232-A258 HydrophobicContact CG2-CB 4.14Å; V232-T263 PolarHBondContact N-O 3.37Å; V232-V264 HydrophobicContact CB-CG1 4.35Å; V232-V264 HydrophobicContact CB-CG2 4.22Å; V232-V264 HydrophobicContact CG2-CG2 4.49Å; V232-V264 CarbonylContact O-C 3.47Å; V232-V264 WeakPolarHBondContact O-CA 3.39Å; V232-V265 PolarHBondContact O-N 3.06Å; V232-V282 HydrophobicContact CG1-CG1 3.81Å; V232-V283 WeakPolarHBondContact CA-O 3.36Å
233L92.4Very high87Confident3 Ų340 Ų402%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-102.9128.3173.6-170.967.7000109I168 L171 V185 V188 V265 V282 V283I168-L233 HydrophobicContact CB-CD2 4.47Å; I168-L233 HydrophobicContact CG1-CD2 4.23Å; I168-L233 HydrophobicContact CG2-CD2 4.05Å; L171-L233 HydrophobicContact CD1-CD1 3.65Å; L171-L233 HydrophobicContact CD1-CD2 3.72Å; L171-L233 HydrophobicContact CD1-CG 3.48Å; L171-L233 VanDerWaalsContact CD1-CG 3.48Å; V185-L233 HydrophobicContact CG1-CD2 4.24Å; V185-L233 HydrophobicContact CG2-CD1 4.32Å; V188-L233 HydrophobicContact CG1-CB 4.11Å; L233-V265 CarbonylContact C-O 3.52Å; L233-V265 WeakPolarHBondContact CA-O 3.48Å; L233-V265 HydrophobicContact CD1-CB 3.84Å; L233-V265 HydrophobicContact CD1-CG1 3.69Å; L233-V282 CarbonylContact O-C 3.59Å; L233-V282 WeakPolarHBondContact O-CA 3.16Å; L233-V283 HydrophobicContact CB-CB 4.28Å; L233-V283 PolarHBondContact N-O 3.02Å; L233-V283 PolarHBondContact O-N 3.4Å
234V94.4Very high87.9Confident0 Ų039 Ų390%020%0.195CC..EExtended strand (participates in β ladder)trans-124.4125.1-179.3-171.40000109.5V232 I236 V250 I254 V265 I266 G267 V280 T281 V282V232-V234 HydrophobicContact CG1-CG2 3.98Å; V234-I236 HydrophobicContact CG1-CG1 4.4Å; V234-V250 HydrophobicContact CG1-CG1 4.23Å; V234-I254 HydrophobicContact CG1-CG1 4.22Å; V234-I254 HydrophobicContact CG2-CB 4.28Å; V234-I254 HydrophobicContact CG2-CG1 4.01Å; V234-I254 HydrophobicContact CG2-CG2 3.75Å; V234-V265 PolarHBondContact N-O 3.26Å; V234-I266 HydrophobicContact CB-CB 4.32Å; V234-I266 HydrophobicContact CB-CG1 4.1Å; V234-I266 HydrophobicContact CB-CG2 4.09Å; V234-I266 HydrophobicContact CG1-CG2 4.25Å; V234-I266 HydrophobicContact CG2-CG1 4.12Å; V234-G267 PolarHBondContact O-N 3.15Å; V234-V280 HydrophobicContact CG1-CG1 3.98Å; V234-T281 CarbonylContact C-O 3.48Å; V234-T281 VanDerWaalsContact CA-O 3.32Å; V234-T281 WeakPolarHBondContact CA-O 3.36Å; V234-V282 HydrophobicContact CG1-CG2 4.43Å
235N94.3Very high88.9Confident1 Ų141.3 Ų41.31%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-110.2124.4170.2-175.617.5000110G167 L171 T237 S269 V280 T281G167-N235 WeakPolarHBondContact O-CB 3.45Å; G167-N235 PolarHBondContact O-ND2 2.92Å; L171-N235 HydrophobicContact CD1-CB 3.8Å; L171-N235 HydrophobicContact CD2-CB 3.82Å; L171-N235 HydrophobicContact CG-CB 3.64Å; N235-T237 PolarHBondContact ND2-OG1 3.38Å; N235-S269 PolarHBondContact ND2-OG 3.03Å; N235-S269 PolarHBondContact OD1-OG 3.33Å; N235-V280 CarbonylContact O-C 3.56Å; N235-V280 WeakPolarHBondContact O-CA 3.17Å; N235-T281 PolarHBondContact N-O 3.07Å; N235-T281 PolarHBondContact O-N 3.14Å
236I95.4Very high89.9Confident0 Ų036.2 Ų36.20%018%0.181CC..EExtended strand (participates in β ladder)trans-105.4108.3171.6-57.7168.6000107.8V234 L242 F247 V250 I266 G267 T268 S269 L278 R279V234-I236 HydrophobicContact CG1-CG1 4.4Å; I236-L242 HydrophobicContact CG2-CD1 4.09Å; I236-L242 HydrophobicContact CG2-CD2 4.31Å; I236-F247 HydrophobicContact CD1-CD2 3.6Å; I236-F247 HydrophobicContact CD1-CE2 3.96Å; I236-F247 HydrophobicContact CD1-CG 4.48Å; I236-V250 HydrophobicContact CD1-CB 3.7Å; I236-V250 HydrophobicContact CD1-CG1 3.66Å; I236-V250 HydrophobicContact CD1-CG2 4.14Å; I236-V250 HydrophobicContact CG1-CB 4.3Å; I236-V250 HydrophobicContact CG1-CG1 3.85Å; I236-V250 HydrophobicContact CG1-CG2 4.46Å; I236-I266 HydrophobicContact CD1-CG2 3.96Å; I236-G267 PolarHBondContact N-O 3.4Å; I236-T268 HydrophobicContact CB-CG2 4.39Å; I236-T268 CarbonylContact O-C 3.52Å; I236-T268 VanDerWaalsContact O-CA 3.22Å; I236-T268 WeakPolarHBondContact O-CA 3.26Å; I236-S269 PolarHBondContact O-N 3.42Å; I236-L278 HydrophobicContact CG2-CD1 4.16Å; I236-L278 HydrophobicContact CG2-CD2 4.17Å; I236-L278 HydrophobicContact CG2-CG 4.1Å; I236-R279 CarbonylContact C-O 3.57Å; I236-R279 WeakPolarHBondContact CA-O 3.49Å
237T93.1Very high90.7Very high0 Ų037.1 Ų37.10%018%0.184CC..EExtended strand (participates in β ladder)trans-102.9124.3176.9-45.70000110.1N235 S269 D271 M274 R279N235-T237 PolarHBondContact ND2-OG1 3.38Å; T237-S269 VanDerWaalsContact CA-O 3.31Å; T237-S269 WeakPolarHBondContact CA-O 3.48Å; T237-S269 WeakPolarHBondContact CB-OG 3.28Å; T237-S269 PolarHBondContact OG1-OG 3.1Å; T237-D271 HydrophobicContact CG2-CB 3.77Å; T237-M274 HydrophobicContact CG2-SD 3.81Å; T237-R279 PolarHBondContact N-O 2.83Å; T237-R279 PolarHBondContact O-N 3.04Å
238A93.6Very high91.6Very high0 Ų039.5 Ų39.50%019%0.189CC..EExtended strand (participates in β ladder)trans-154.9172.9178.100000110.4L242 S269 L270 D271 L278A238-L242 HydrophobicContact CB-CB 3.98Å; A238-L242 HydrophobicContact CB-CD1 4.08Å; A238-L242 HydrophobicContact CB-CG 4.43Å; A238-S269 PolarHBondContact N-O 2.86Å; A238-L270 WeakPolarHBondContact O-CA 3.48Å; A238-D271 PolarHBondContact O-N 3.08Å; A238-L278 HydrophobicContact CB-CG 4.34Å
239G91.7Very high92.3Very high1 Ų140.5 Ų40.51%0.0119%0.19CC..  trans-72.9-169.5170.900000112.9D241 L242 L270 D271 M274G239-D241 VanDerWaalsContact C-OD1 3.28Å; G239-D241 VanDerWaalsContact CA-OD1 3.27Å; G239-D241 WeakPolarHBondContact CA-OD1 3.14Å; G239-D241 PolarHBondContact N-OD1 3.11Å; G239-D241 PolarHBondContact O-N 3.42Å; G239-D241 VanDerWaalsContact O-N 3.13Å; G239-L242 PolarHBondContact O-N 2.96Å; G239-L270 WeakPolarHBondContact O-CD2 3.24Å; G239-D271 WeakPolarHBondContact CA-O 3.07Å; G239-M274 WeakPolarHBondContact CA-O 3.48Å
240F88.5Confident92.7Very high162 Ų16240.3 Ų40.371%0.71119%0.189SC*.THydrogen-bonded Turntrans-68.9-4.3173.9-67.2-78.9000113.7L242 L270 P272F240-L242 VanDerWaalsContact C-N 3.34Å; F240-L270 HydrophobicContact CD1-CD1 4.12Å; F240-L270 HydrophobicContact CE1-CD1 3.87Å; F240-P272 HydrophobicContact CE2-CB 4.24Å; F240-P272 HydrophobicContact CE2-CG 4.21Å
241D90.8Very high92.9Very high58 Ų5835.2 Ų35.231%0.3117%0.171SC..THydrogen-bonded Turntrans-87.82.7177.564.6-36.1000113.3R207 G239 R243 D276R207-D241 IonicContact CZ-OD2 4Å; R207-D241 IonicContact NH1-OD1 2.74Å; R207-D241 IonicContact NH1-OD2 3.16Å; R207-D241 PolarHBondContact NH1-OD2 3.44Å; R207-D241 PolarHBondContact NH2-O 2.98Å; R207-D241 IonicContact NH2-OD1 3.44Å; R207-D241 IonicContact NH2-OD2 3.61Å; R207-D241 PolarHBondContact NH2-OD2 2.98Å; G239-D241 VanDerWaalsContact C-OD1 3.28Å; G239-D241 VanDerWaalsContact CA-OD1 3.27Å; G239-D241 WeakPolarHBondContact CA-OD1 3.14Å; G239-D241 PolarHBondContact N-OD1 3.11Å; G239-D241 PolarHBondContact O-N 3.42Å; G239-D241 VanDerWaalsContact O-N 3.13Å; D241-R243 WeakPolarHBondContact O-CG 3.42Å; D241-R243 PolarHBondContact O-N 3.28Å; D241-D276 PolarHBondContact OD2-N 3.27Å; D241-D276 VanDerWaalsContact OD2-N 3.15Å
242L91.4Very high93.1Very high20 Ų2040.2 Ų40.211%0.10520%0.197CC..  trans-59122.7173.8-177.862.5000110.9L177 I236 A238 G239 F240 E246 T268 L278L177-L242 HydrophobicContact CD1-CD2 4.35Å; I236-L242 HydrophobicContact CG2-CD1 4.09Å; I236-L242 HydrophobicContact CG2-CD2 4.31Å; A238-L242 HydrophobicContact CB-CB 3.98Å; A238-L242 HydrophobicContact CB-CD1 4.08Å; A238-L242 HydrophobicContact CB-CG 4.43Å; G239-L242 PolarHBondContact O-N 2.96Å; F240-L242 VanDerWaalsContact C-N 3.34Å; L242-E246 HydrophobicContact CD1-CB 4.06Å; L242-T268 HydrophobicContact CD2-CG2 3.84Å; L242-L278 HydrophobicContact CD1-CD1 3.65Å
243R91.4Very high93.1Very high97 Ų9741.2 Ų41.237%0.36620%0.204SC..  trans-97.6160.3-180-48.3-173.6-59.9-79.92.1112.3D241 D245 E246 F247D241-R243 WeakPolarHBondContact O-CG 3.42Å; D241-R243 PolarHBondContact O-N 3.28Å; R243-D245 WeakPolarHBondContact CB-OD1 3.48Å; R243-D245 IonicContact CZ-OD2 2.66Å; R243-D245 IonicContact NE-OD1 3.28Å; R243-D245 PolarHBondContact NE-OD1 3.23Å; R243-D245 IonicContact NE-OD2 3.15Å; R243-D245 PolarHBondContact NE-OD2 3.18Å; R243-D245 VanDerWaalsContact NE-OD2 3.15Å; R243-D245 IonicContact NH2-OD2 3.17Å; R243-D245 PolarHBondContact NH2-OD2 3.32Å; R243-E246 HydrophobicContact CB-CG 4.08Å; R243-E246 IonicContact CZ-OE1 3.95Å; R243-E246 IonicContact CZ-OE2 3.97Å; R243-E246 PolarHBondContact N-OE2 2.86Å; R243-E246 IonicContact NH1-OE1 3.11Å; R243-E246 PolarHBondContact NH1-OE1 3.47Å; R243-E246 IonicContact NH1-OE2 2.86Å; R243-E246 VanDerWaalsContact NH2-CG 3.29Å; R243-E246 IonicContact NH2-OE1 3.15Å; R243-E246 PolarHBondContact NH2-OE1 2.89Å; R243-E246 VanDerWaalsContact NH2-OE1 3.15Å; R243-E246 WeakPolarHBondContact O-CB 3.38Å; R243-E246 PolarHBondContact O-N 3.37Å; R243-F247 PolarHBondContact O-N 2.83Å
244L91.3Very high93Very high120 Ų12041.3 Ų41.363%0.62820%0.204SC*.Hα-helixtrans-66.4-40.3178.2179.962.1000111.9E246 F247 E248L244-E246 VanDerWaalsContact C-N 3.28Å; L244-E246 PolarHBondContact O-N 3.45Å; L244-F247 PolarHBondContact O-N 3.39Å; L244-E248 WeakPolarHBondContact O-CG 3.42Å; L244-E248 PolarHBondContact O-N 3.3Å
245D94.8Very high92.7Very high78 Ų7848.2 Ų48.242%0.41723%0.23SC..Hα-helixtrans-60.4-38.8175.555.1-60.6000111.5R243 E248 T249R243-D245 WeakPolarHBondContact CB-OD1 3.48Å; R243-D245 IonicContact CZ-OD2 2.66Å; R243-D245 IonicContact NE-OD1 3.28Å; R243-D245 PolarHBondContact NE-OD1 3.23Å; R243-D245 IonicContact NE-OD2 3.15Å; R243-D245 PolarHBondContact NE-OD2 3.18Å; R243-D245 VanDerWaalsContact NE-OD2 3.15Å; R243-D245 IonicContact NH2-OD2 3.17Å; R243-D245 PolarHBondContact NH2-OD2 3.32Å; D245-E248 PolarHBondContact O-N 2.98Å; D245-T249 WeakPolarHBondContact O-CB 3.09Å; D245-T249 PolarHBondContact O-N 3.42Å; D245-T249 PolarHBondContact O-OG1 3.2Å
246E95.1Very high92.4Very high1 Ų152 Ų521%0.00526%0.261CS..Hα-helixtrans-64.1-44.3176.6-66-178.5135.500111.8R207 A208 L242 R243 L244 T249 V250 L278R207-E246 WeakPolarHBondContact CG-OE1 3.14Å; R207-E246 IonicContact CZ-OE1 2.68Å; R207-E246 IonicContact CZ-OE2 3.77Å; R207-E246 IonicContact NE-OE1 3.4Å; R207-E246 PolarHBondContact NE-OE1 3.47Å; R207-E246 IonicContact NE-OE2 3.23Å; R207-E246 IonicContact NH2-OE1 3.76Å; R207-E246 PolarHBondContact NH2-OE1 2.87Å; R207-E246 IonicContact NH2-OE2 3.75Å; R207-E246 PolarHBondContact NH2-OE2 3.5Å; A208-E246 HydrophobicContact CB-CB 3.61Å; A208-E246 HydrophobicContact CB-CG 3.83Å; L242-E246 HydrophobicContact CD1-CB 4.06Å; R243-E246 HydrophobicContact CB-CG 4.08Å; R243-E246 IonicContact CZ-OE1 3.95Å; R243-E246 IonicContact CZ-OE2 3.97Å; R243-E246 PolarHBondContact N-OE2 2.86Å; R243-E246 IonicContact NH1-OE1 3.11Å; R243-E246 PolarHBondContact NH1-OE1 3.47Å; R243-E246 IonicContact NH1-OE2 2.86Å; R243-E246 VanDerWaalsContact NH2-CG 3.29Å; R243-E246 IonicContact NH2-OE1 3.15Å; R243-E246 PolarHBondContact NH2-OE1 2.89Å; R243-E246 VanDerWaalsContact NH2-OE1 3.15Å; R243-E246 WeakPolarHBondContact O-CB 3.38Å; R243-E246 PolarHBondContact O-N 3.37Å; L244-E246 VanDerWaalsContact C-N 3.28Å; L244-E246 PolarHBondContact O-N 3.45Å; E246-T249 PolarHBondContact O-N 2.8Å; E246-V250 WeakPolarHBondContact O-CG2 3.42Å; E246-V250 PolarHBondContact O-N 3.3Å; E246-L278 HydrophobicContact CB-CD1 4.13Å
247F92.9Very high91.9Very high38 Ų3857.1 Ų57.117%0.16728%0.284CS..Hα-helixtrans-61.2-46.3175.2177.9-91.5000112.1M178 I236 R243 L244 V250 G251 I266 T268M178-F247 HydrophobicContact CE-CD1 3.61Å; M178-F247 HydrophobicContact CE-CD2 3.32Å; M178-F247 HydrophobicContact CE-CE1 3.46Å; M178-F247 VanDerWaalsContact CE-CE1 3.46Å; M178-F247 HydrophobicContact CE-CE2 3.17Å; M178-F247 HydrophobicContact CE-CG 3.54Å; M178-F247 HydrophobicContact CE-CZ 3.23Å; M178-F247 HydrophobicContact SD-CE1 3.84Å; M178-F247 HydrophobicContact SD-CE2 3.99Å; M178-F247 HydrophobicContact SD-CZ 3.53Å; M178-F247 VanDerWaalsContact SD-CZ 3.53Å; I236-F247 HydrophobicContact CD1-CD2 3.6Å; I236-F247 HydrophobicContact CD1-CE2 3.96Å; I236-F247 HydrophobicContact CD1-CG 4.48Å; R243-F247 PolarHBondContact O-N 2.83Å; L244-F247 PolarHBondContact O-N 3.39Å; F247-V250 PolarHBondContact O-N 2.79Å; F247-G251 PolarHBondContact O-N 3.31Å; F247-I266 HydrophobicContact CE2-CG2 3.7Å; F247-I266 HydrophobicContact CZ-CB 4.42Å; F247-I266 HydrophobicContact CZ-CG2 3.94Å; F247-T268 HydrophobicContact CD2-CG2 3.66Å; F247-T268 HydrophobicContact CE2-CG2 3.83Å
248E94Very high91.6Very high107 Ų10757.7 Ų57.750%0.529%0.289SS..Hα-helixtrans-62.3-42.8177.8-73.8-175.717700111.5L244 D245 G251 N252L244-E248 WeakPolarHBondContact O-CG 3.42Å; L244-E248 PolarHBondContact O-N 3.3Å; D245-E248 PolarHBondContact O-N 2.98Å; E248-G251 PolarHBondContact O-N 3.01Å; E248-N252 VanDerWaalsContact O-CB 3.32Å; E248-N252 WeakPolarHBondContact O-CB 3.18Å; E248-N252 PolarHBondContact O-N 2.99Å; E248-N252 PolarHBondContact O-ND2 2.88Å; E248-N252 VanDerWaalsContact O-ND2 3.1Å
249T96.4Very high91.1Very high46 Ų4659.3 Ų59.328%0.28230%0.3SS..Hα-helixtrans-58.8-52.1176.9-67.40000111.1A208 E209 D245 E246 G251 N252 T253A208-T249 HydrophobicContact CB-CG2 4.25Å; E209-T249 HydrophobicContact CB-CG2 3.85Å; E209-T249 HydrophobicContact CG-CG2 4.48Å; D245-T249 WeakPolarHBondContact O-CB 3.09Å; D245-T249 PolarHBondContact O-N 3.42Å; D245-T249 PolarHBondContact O-OG1 3.2Å; E246-T249 PolarHBondContact O-N 2.8Å; T249-G251 VanDerWaalsContact C-N 3.31Å; T249-G251 PolarHBondContact O-N 2.78Å; T249-N252 PolarHBondContact O-N 2.82Å; T249-T253 WeakPolarHBondContact O-CB 3.35Å; T249-T253 PolarHBondContact O-N 3.29Å; T249-T253 PolarHBondContact O-OG1 3.35Å; T249-T253 VanDerWaalsContact O-OG1 3.06Å
250V95.5Very high90.6Very high0 Ų067.1 Ų67.10%034%0.341CS..Hα-helixtrans-58.9-46.4176.6177.50000110.4A208 A212 V234 I236 E246 F247 N252 T253 I254 L278 V280A208-V250 HydrophobicContact CB-CG2 4.14Å; A208-V250 WeakPolarHBondContact O-CG2 3.45Å; A212-V250 HydrophobicContact CB-CB 4.42Å; A212-V250 HydrophobicContact CB-CG1 4.18Å; A212-V250 HydrophobicContact CB-CG2 4.24Å; V234-V250 HydrophobicContact CG1-CG1 4.23Å; I236-V250 HydrophobicContact CD1-CB 3.7Å; I236-V250 HydrophobicContact CD1-CG1 3.66Å; I236-V250 HydrophobicContact CD1-CG2 4.14Å; I236-V250 HydrophobicContact CG1-CB 4.3Å; I236-V250 HydrophobicContact CG1-CG1 3.85Å; I236-V250 HydrophobicContact CG1-CG2 4.46Å; E246-V250 WeakPolarHBondContact O-CG2 3.42Å; E246-V250 PolarHBondContact O-N 3.3Å; F247-V250 PolarHBondContact O-N 2.79Å; V250-N252 PolarHBondContact O-N 3.37Å; V250-T253 PolarHBondContact O-N 2.94Å; V250-I254 HydrophobicContact CG1-CG1 4.28Å; V250-I254 WeakPolarHBondContact O-CG1 3.48Å; V250-I254 PolarHBondContact O-N 3.36Å; V250-L278 HydrophobicContact CG2-CD2 4.42Å; V250-V280 HydrophobicContact CG1-CG1 3.91Å; V250-V280 HydrophobicContact CG1-CG2 3.88Å; V250-V280 HydrophobicContact CG2-CG2 3.78Å
251G92.7Very high90.3Very high5 Ų566.6 Ų66.65%0.05235%0.346CS..Hα-helixtrans-60.7-42.7-178.800000113.5F247 E248 T249 R255F247-G251 PolarHBondContact O-N 3.31Å; E248-G251 PolarHBondContact O-N 3.01Å; T249-G251 VanDerWaalsContact C-N 3.31Å; T249-G251 PolarHBondContact O-N 2.78Å; G251-R255 WeakPolarHBondContact O-CB 3.42Å; G251-R255 WeakPolarHBondContact O-CG 3.27Å; G251-R255 PolarHBondContact O-N 3.34Å
252N93.3Very high90.1Very high105 Ų10564.4 Ų64.456%0.56134%0.336SS*.Hα-helixtrans-67.9-43.7177.7-70.5-29.7000111.3E248 T249 V250 I254 R255 A256E248-N252 VanDerWaalsContact O-CB 3.32Å; E248-N252 WeakPolarHBondContact O-CB 3.18Å; E248-N252 PolarHBondContact O-N 2.99Å; E248-N252 PolarHBondContact O-ND2 2.88Å; E248-N252 VanDerWaalsContact O-ND2 3.1Å; T249-N252 PolarHBondContact O-N 2.82Å; V250-N252 PolarHBondContact O-N 3.37Å; N252-I254 PolarHBondContact O-N 3.03Å; N252-R255 PolarHBondContact O-N 3.03Å; N252-A256 WeakPolarHBondContact O-CB 3.37Å; N252-A256 PolarHBondContact O-N 3.1Å
253T92.1Very high90Very high24 Ų2466.4 Ų66.415%0.14735%0.35CS..Hα-helixtrans-59.2-48.7176.1-62.50000110.6A212 I216 T249 V250 R255 A256 F257A212-T253 HydrophobicContact CB-CG2 3.84Å; I216-T253 HydrophobicContact CD1-CG2 3.93Å; T249-T253 WeakPolarHBondContact O-CB 3.35Å; T249-T253 PolarHBondContact O-N 3.29Å; T249-T253 PolarHBondContact O-OG1 3.35Å; T249-T253 VanDerWaalsContact O-OG1 3.06Å; V250-T253 PolarHBondContact O-N 2.94Å; T253-R255 PolarHBondContact O-N 3.02Å; T253-A256 PolarHBondContact O-N 3.49Å; T253-F257 VanDerWaalsContact O-CD2 3.25Å; T253-F257 WeakPolarHBondContact O-CD2 3.49Å
254I91Very high89.9Confident4 Ų463.1 Ų63.12%0.02134%0.34CS..Hα-helixtrans-64.9-42.4178.7-58.9-52.8000112.1I216 V232 V234 V250 N252 A256 F257 A258 V282I216-I254 HydrophobicContact CG2-CD1 3.32Å; V232-I254 HydrophobicContact CG1-CG2 3.88Å; V234-I254 HydrophobicContact CG1-CG1 4.22Å; V234-I254 HydrophobicContact CG2-CB 4.28Å; V234-I254 HydrophobicContact CG2-CG1 4.01Å; V234-I254 HydrophobicContact CG2-CG2 3.75Å; V250-I254 HydrophobicContact CG1-CG1 4.28Å; V250-I254 WeakPolarHBondContact O-CG1 3.48Å; V250-I254 PolarHBondContact O-N 3.36Å; N252-I254 PolarHBondContact O-N 3.03Å; I254-A256 PolarHBondContact O-N 3.48Å; I254-F257 PolarHBondContact O-N 3.39Å; I254-F257 VanDerWaalsContact O-N 3.13Å; I254-A258 WeakPolarHBondContact O-CB 3.38Å; I254-A258 PolarHBondContact O-N 3.36Å; I254-V282 HydrophobicContact CD1-CG2 3.54Å; I254-V282 HydrophobicContact CG1-CG2 4.35Å
255R88.4Confident89.9Confident145 Ų14558.2 Ų58.255%0.54732%0.315SS..Hα-helixtrans-62.8-30.4178.8-75.5177.1-168.8-78.7-2.2113G251 N252 T253 F257G251-R255 WeakPolarHBondContact O-CB 3.42Å; G251-R255 WeakPolarHBondContact O-CG 3.27Å; G251-R255 PolarHBondContact O-N 3.34Å; N252-R255 PolarHBondContact O-N 3.03Å; T253-R255 PolarHBondContact O-N 3.02Å; R255-F257 PolarHBondContact O-N 3.06Å
256A88.2Confident89.8Confident80 Ų8055.7 Ų55.766%0.66130%0.301SS*.Hα-helixtrans-67.3-22.9177.300000113.4N252 T253 I254N252-A256 WeakPolarHBondContact O-CB 3.37Å; N252-A256 PolarHBondContact O-N 3.1Å; T253-A256 PolarHBondContact O-N 3.49Å; I254-A256 PolarHBondContact O-N 3.48Å
257F85Confident89.7Confident109 Ų10955.7 Ų55.748%0.47830%0.301SS..Hα-helixtrans-105-24.6179.6-71.4-102000113.1I216 L226 S227 T253 I254 R255I216-F257 HydrophobicContact CD1-CD1 4.13Å; I216-F257 HydrophobicContact CD1-CD2 3.52Å; I216-F257 HydrophobicContact CD1-CE1 3.91Å; I216-F257 HydrophobicContact CD1-CE2 3.26Å; I216-F257 HydrophobicContact CD1-CG 3.95Å; I216-F257 HydrophobicContact CD1-CZ 3.47Å; I216-F257 VanDerWaalsContact CD1-CZ 3.47Å; L226-F257 CarbonylContact C-O 3.51Å; L226-F257 HydrophobicContact CB-CB 4.43Å; L226-F257 WeakPolarHBondContact CB-O 3.35Å; L226-F257 HydrophobicContact CD1-CB 4Å; S227-F257 PolarHBondContact N-O 3.35Å; T253-F257 VanDerWaalsContact O-CD2 3.25Å; T253-F257 WeakPolarHBondContact O-CD2 3.49Å; I254-F257 PolarHBondContact O-N 3.39Å; I254-F257 VanDerWaalsContact O-N 3.13Å; R255-F257 PolarHBondContact O-N 3.06Å
258A85.6Confident89.6Confident12 Ų1254 Ų5410%0.09929%0.294CS..SBendtrans-73.9152.1173.400000111V232 I254 V264V232-A258 HydrophobicContact CG2-CB 4.14Å; I254-A258 WeakPolarHBondContact O-CB 3.38Å; I254-A258 PolarHBondContact O-N 3.36Å; A258-V264 HydrophobicContact CB-CG2 3.89Å
259S82.7Confident89.5Confident33 Ų3348.9 Ų48.923%0.23127%0.27CS..  trans-70.7145.3171.5162.50000111.5S227 N261 A262S227-S259 WeakPolarHBondContact O-CB 3.37Å; S259-N261 PolarHBondContact O-N 2.95Å; S259-N261 PolarHBondContact OG-N 2.87Å; S259-A262 VanDerWaalsContact O-CB 3.25Å; S259-A262 WeakPolarHBondContact O-CB 3.42Å; S259-A262 PolarHBondContact O-N 2.96Å
260D80.8Confident89.1Confident165 Ų16548 Ų4888%0.88226%0.263SS*.THydrogen-bonded Turntrans-56.9-23.7174.3-67.3-30.5000113
261N82.6Confident88.8Confident151 Ų15148.8 Ų48.881%0.80727%0.268SS*.THydrogen-bonded Turntrans-94.4-0.9178.2-60.4-56.5000113.2S259S259-N261 PolarHBondContact O-N 2.95Å; S259-N261 PolarHBondContact OG-N 2.87Å
262A86.5Confident88.5Confident13 Ų1352.5 Ų52.511%0.10729%0.291CS..SBendtrans-79.3137.8178.500000110.5A229 R230 S259 V264A229-A262 WeakPolarHBondContact O-CB 3.34Å; R230-A262 CarbonylContact O-C 3.45Å; R230-A262 WeakPolarHBondContact O-CA 3.36Å; S259-A262 VanDerWaalsContact O-CB 3.25Å; S259-A262 WeakPolarHBondContact O-CB 3.42Å; S259-A262 PolarHBondContact O-N 2.96Å; A262-V264 HydrophobicContact CB-CG2 4.36Å; A262-V264 PolarHBondContact O-N 3.23Å; A262-V264 VanDerWaalsContact O-N 3.13Å
263T89.1Confident88.2Confident62 Ų6254.6 Ų54.638%0.3830%0.302SS..EExtended strand (participates in β ladder)trans-74.5102.8169.5-57.10000108.4V188 R230 G231 V232 V265V188-T263 HydrophobicContact CG2-CG2 3.87Å; R230-T263 PolarHBondContact O-N 3.13Å; G231-T263 CarbonylContact C-O 3.57Å; G231-T263 WeakPolarHBondContact CA-O 3.3Å; V232-T263 PolarHBondContact N-O 3.37Å; T263-V265 HydrophobicContact CG2-CG2 4.39Å
264V90.3Very high88.1Confident28 Ų2853.9 Ų53.917%0.1730%0.297CS..EExtended strand (participates in β ladder)trans-99.8117.8179.2-174.20000109.9V232 A258 A262 I266V232-V264 HydrophobicContact CB-CG1 4.35Å; V232-V264 HydrophobicContact CB-CG2 4.22Å; V232-V264 HydrophobicContact CG2-CG2 4.49Å; V232-V264 CarbonylContact O-C 3.47Å; V232-V264 WeakPolarHBondContact O-CA 3.39Å; A258-V264 HydrophobicContact CB-CG2 3.89Å; A262-V264 HydrophobicContact CB-CG2 4.36Å; A262-V264 PolarHBondContact O-N 3.23Å; A262-V264 VanDerWaalsContact O-N 3.13Å; V264-I266 HydrophobicContact CG1-CD1 4.13Å; V264-I266 HydrophobicContact CG1-CG1 3.86Å
265V91.5Very high88Confident17 Ų1759.7 Ų59.710%0.10333%0.328CS..EExtended strand (participates in β ladder)trans-113.3121.2176174.80000108.4V180 D184 V188 V232 L233 V234 T263V180-V265 HydrophobicContact CB-CG1 4.27Å; V180-V265 HydrophobicContact CG1-CG1 3.36Å; V180-V265 HydrophobicContact CG2-CG1 3.81Å; D184-V265 HydrophobicContact CB-CG1 4.26Å; D184-V265 HydrophobicContact CB-CG2 4.21Å; V188-V265 HydrophobicContact CG2-CB 4.12Å; V188-V265 HydrophobicContact CG2-CG2 3.49Å; V188-V265 VanDerWaalsContact CG2-CG2 3.49Å; V232-V265 PolarHBondContact O-N 3.06Å; L233-V265 CarbonylContact C-O 3.52Å; L233-V265 WeakPolarHBondContact CA-O 3.48Å; L233-V265 HydrophobicContact CD1-CB 3.84Å; L233-V265 HydrophobicContact CD1-CG1 3.69Å; V234-V265 PolarHBondContact N-O 3.26Å; T263-V265 HydrophobicContact CG2-CG2 4.39Å
266I92.9Very high88.1Confident25 Ų2557 Ų5713%0.12833%0.325CS..EExtended strand (participates in β ladder)trans-120.3123.7-179.1-49.4-174.8000107.6V234 I236 F247 V264V234-I266 HydrophobicContact CB-CB 4.32Å; V234-I266 HydrophobicContact CB-CG1 4.1Å; V234-I266 HydrophobicContact CB-CG2 4.09Å; V234-I266 HydrophobicContact CG1-CG2 4.25Å; V234-I266 HydrophobicContact CG2-CG1 4.12Å; I236-I266 HydrophobicContact CD1-CG2 3.96Å; F247-I266 HydrophobicContact CE2-CG2 3.7Å; F247-I266 HydrophobicContact CZ-CB 4.42Å; F247-I266 HydrophobicContact CZ-CG2 3.94Å; V264-I266 HydrophobicContact CG1-CD1 4.13Å; V264-I266 HydrophobicContact CG1-CG1 3.86Å
267G92Very high88.5Confident0 Ų057.4 Ų57.40%031%0.313CS..EExtended strand (participates in β ladder)trans-126.8167.9174.100000112.2V180 V234 I236V180-G267 VanDerWaalsContact CG2-CA 3.47Å; V234-G267 PolarHBondContact O-N 3.15Å; I236-G267 PolarHBondContact N-O 3.4Å
268T92.2Very high89Confident2 Ų252.2 Ų52.21%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-118.8145.7175.161.10000109.3G176 L177 M178 I236 L242 F247G176-T268 WeakPolarHBondContact CA-O 3.34Å; L177-T268 PolarHBondContact N-OG1 2.78Å; M178-T268 HydrophobicContact CE-CG2 4.14Å; M178-T268 PolarHBondContact N-OG1 2.9Å; M178-T268 PolarHBondContact O-N 3Å; M178-T268 PolarHBondContact O-OG1 3.33Å; I236-T268 HydrophobicContact CB-CG2 4.39Å; I236-T268 CarbonylContact O-C 3.52Å; I236-T268 VanDerWaalsContact O-CA 3.22Å; I236-T268 WeakPolarHBondContact O-CA 3.26Å; L242-T268 HydrophobicContact CD2-CG2 3.84Å; F247-T268 HydrophobicContact CD2-CG2 3.66Å; F247-T268 HydrophobicContact CE2-CG2 3.83Å
269S90.4Very high89.4Confident0 Ų054.7 Ų54.70%030%0.297CS..EExtended strand (participates in β ladder)trans-125.4133.6168.147.10000109.1N235 I236 T237 A238N235-S269 PolarHBondContact ND2-OG 3.03Å; N235-S269 PolarHBondContact OD1-OG 3.33Å; I236-S269 PolarHBondContact O-N 3.42Å; T237-S269 VanDerWaalsContact CA-O 3.31Å; T237-S269 WeakPolarHBondContact CA-O 3.48Å; T237-S269 WeakPolarHBondContact CB-OG 3.28Å; T237-S269 PolarHBondContact OG1-OG 3.1Å; A238-S269 PolarHBondContact N-O 2.86Å
270L88.9Confident90.1Very high27 Ų2753.1 Ų53.114%0.14129%0.286CS..EExtended strand (participates in β ladder)trans-90.8125.4177.4-67.2174.9000109.9L177 A238 G239 F240L177-L270 HydrophobicContact CD1-CD2 4.46Å; L177-L270 HydrophobicContact CD2-CD1 4.18Å; L177-L270 HydrophobicContact CG-CD1 4.23Å; L177-L270 HydrophobicContact CG-CD2 4.25Å; L177-L270 HydrophobicContact CG-CG 4.49Å; A238-L270 WeakPolarHBondContact O-CA 3.48Å; G239-L270 WeakPolarHBondContact O-CD2 3.24Å; F240-L270 HydrophobicContact CD1-CD1 4.12Å; F240-L270 HydrophobicContact CE1-CD1 3.87Å
271D89.1Confident90.7Very high18 Ų1845.6 Ų45.610%0.09625%0.246CC..  trans-116.8104.4172.2-162.7-37.1000109.5R174 T237 A238 G239 D273 M274R174-D271 IonicContact CZ-OD2 2.7Å; R174-D271 IonicContact NH1-OD2 2.69Å; R174-D271 PolarHBondContact NH1-OD2 3.22Å; R174-D271 IonicContact NH2-OD2 2.74Å; T237-D271 HydrophobicContact CG2-CB 3.77Å; A238-D271 PolarHBondContact O-N 3.08Å; G239-D271 WeakPolarHBondContact CA-O 3.07Å; D271-D273 PolarHBondContact O-N 2.8Å; D271-D273 VanDerWaalsContact O-N 3.12Å; D271-D273 WeakPolarHBondContact OD1-CB 3.47Å; D271-D273 PolarHBondContact OD1-N 3.45Å; D271-D273 VanDerWaalsContact OD1-N 3.08Å; D271-M274 HydrophobicContact CB-CB 4.32Å; D271-M274 HydrophobicContact CB-CG 3.9Å; D271-M274 HydrophobicContact CB-SD 3.92Å; D271-M274 PolarHBondContact O-N 3.23Å
272P85.7Confident91.2Very high83 Ų8338.4 Ų38.454%0.53921%0.208SC..THydrogen-bonded Turntrans-61-19.7-178.3-23.333.9000114.6F240 M274F240-P272 HydrophobicContact CE2-CB 4.24Å; F240-P272 HydrophobicContact CE2-CG 4.21Å; P272-M274 VanDerWaalsContact C-N 3.32Å
273D88.1Confident91.5Very high149 Ų14937.9 Ų37.980%0.79720%0.203SC*.THydrogen-bonded Turntrans-81.7-14.8179.1-65.2-36.1000111.8D271D271-D273 PolarHBondContact O-N 2.8Å; D271-D273 VanDerWaalsContact O-N 3.12Å; D271-D273 WeakPolarHBondContact OD1-CB 3.47Å; D271-D273 PolarHBondContact OD1-N 3.45Å; D271-D273 VanDerWaalsContact OD1-N 3.08Å
274M89.7Confident91.6Very high9 Ų935 Ų354%0.04419%0.185CC..  trans-85.7125.8175.5-66.8-176.36800110.8T237 G239 D271 P272 E277 R279T237-M274 HydrophobicContact CG2-SD 3.81Å; G239-M274 WeakPolarHBondContact CA-O 3.48Å; D271-M274 HydrophobicContact CB-CB 4.32Å; D271-M274 HydrophobicContact CB-CG 3.9Å; D271-M274 HydrophobicContact CB-SD 3.92Å; D271-M274 PolarHBondContact O-N 3.23Å; P272-M274 VanDerWaalsContact C-N 3.32Å; M274-E277 HydrophobicContact CE-CB 3.59Å; M274-E277 WeakPolarHBondContact CE-O 3.44Å; M274-R279 HydrophobicContact CE-CB 4.13Å
275N88.5Confident91.5Very high125 Ų12533.6 Ų33.667%0.66818%0.177SC*.SBendtrans-131.7128.9173.7-68.7-75.3000108.7E277N275-E277 PolarHBondContact O-N 3.42Å
276D91.4Very high91.2Very high88 Ų8832.9 Ų32.947%0.47117%0.173SC..SBendtrans58.412-176.1-164.835.9000114.2S203 G204 D241S203-D276 WeakPolarHBondContact CA-O 3.37Å; S203-D276 WeakPolarHBondContact CB-O 3.37Å; G204-D276 PolarHBondContact N-O 3.31Å; G204-D276 PolarHBondContact N-OD1 2.71Å; D241-D276 PolarHBondContact OD2-N 3.27Å; D241-D276 VanDerWaalsContact OD2-N 3.15Å
277E95Very high90.4Very high89 Ų8932.9 Ų32.942%0.41617%0.173SC..EExtended strand (participates in β ladder)trans-115142.7177.3-69-175176.100110.6A202 M274 N275A202-E277 WeakPolarHBondContact O-CA 3.49Å; M274-E277 HydrophobicContact CE-CB 3.59Å; M274-E277 WeakPolarHBondContact CE-O 3.44Å; N275-E277 PolarHBondContact O-N 3.42Å
278L95.5Very high89.3Confident0 Ų036.1 Ų36.10%021%0.206CC..EExtended strand (participates in β ladder)trans-132.3130.1173.7-173.3154.5000108.8V201 A202 R207 A208 A211 I236 A238 L242 E246 V250 V280V201-L278 WeakPolarHBondContact CA-O 3.43Å; A202-L278 PolarHBondContact N-O 2.94Å; A202-L278 PolarHBondContact O-N 3.23Å; R207-L278 HydrophobicContact CB-CB 4.32Å; R207-L278 HydrophobicContact CG-CB 3.8Å; R207-L278 HydrophobicContact CG-CD1 4.38Å; A208-L278 HydrophobicContact CB-CD1 4.17Å; A211-L278 HydrophobicContact CB-CD2 3.77Å; I236-L278 HydrophobicContact CG2-CD1 4.16Å; I236-L278 HydrophobicContact CG2-CD2 4.17Å; I236-L278 HydrophobicContact CG2-CG 4.1Å; A238-L278 HydrophobicContact CB-CG 4.34Å; L242-L278 HydrophobicContact CD1-CD1 3.65Å; E246-L278 HydrophobicContact CB-CD1 4.13Å; V250-L278 HydrophobicContact CG2-CD2 4.42Å; L278-V280 HydrophobicContact CD2-CG2 3.48Å; L278-V280 VanDerWaalsContact CD2-CG2 3.48Å
279R95.2Very high87.7Confident65 Ų6539.9 Ų39.925%0.24523%0.225CC..EExtended strand (participates in β ladder)trans-112.8127.8175.9177.1-176.3-55.2157.19109.7G200 V201 I236 T237 M274G200-R279 CarbonylContact O-C 3.53Å; G200-R279 VanDerWaalsContact O-CA 3.26Å; G200-R279 WeakPolarHBondContact O-CA 3.33Å; V201-R279 HydrophobicContact CG2-CB 3.95Å; V201-R279 HydrophobicContact CG2-CG 3.79Å; I236-R279 CarbonylContact C-O 3.57Å; I236-R279 WeakPolarHBondContact CA-O 3.49Å; T237-R279 PolarHBondContact N-O 2.83Å; T237-R279 PolarHBondContact O-N 3.04Å; M274-R279 HydrophobicContact CE-CB 4.13Å
280V95.9Very high85.9Confident0 Ų045.7 Ų45.70%026%0.256CS..EExtended strand (participates in β ladder)trans-108.9128.9170.1-178.20000108.4S199 G200 A211 A212 A215 V234 N235 V250 L278 V282S199-V280 CarbonylContact C-O 3.58Å; S199-V280 WeakPolarHBondContact CA-O 3.37Å; G200-V280 PolarHBondContact N-O 3.04Å; G200-V280 PolarHBondContact O-N 3.11Å; A211-V280 HydrophobicContact CB-CB 4.32Å; A211-V280 HydrophobicContact CB-CG2 3.79Å; A212-V280 HydrophobicContact CB-CG2 4.47Å; A215-V280 HydrophobicContact CB-CB 4.2Å; A215-V280 HydrophobicContact CB-CG1 4.02Å; V234-V280 HydrophobicContact CG1-CG1 3.98Å; N235-V280 CarbonylContact O-C 3.56Å; N235-V280 WeakPolarHBondContact O-CA 3.17Å; V250-V280 HydrophobicContact CG1-CG1 3.91Å; V250-V280 HydrophobicContact CG1-CG2 3.88Å; V250-V280 HydrophobicContact CG2-CG2 3.78Å; L278-V280 HydrophobicContact CD2-CG2 3.48Å; L278-V280 VanDerWaalsContact CD2-CG2 3.48Å; V280-V282 HydrophobicContact CG1-CG2 4.02Å
281T94.1Very high83.9Confident6 Ų653.7 Ų53.74%0.03729%0.29CS..EExtended strand (participates in β ladder)trans-118.8127.4169.8-62.80000109.1M197 G198 V234 N235M197-T281 HydrophobicContact CE-CG2 3.39Å; M197-T281 HydrophobicContact CG-CG2 4.2Å; G198-T281 WeakPolarHBondContact O-CA 2.98Å; V234-T281 CarbonylContact C-O 3.48Å; V234-T281 VanDerWaalsContact CA-O 3.32Å; V234-T281 WeakPolarHBondContact CA-O 3.36Å; N235-T281 PolarHBondContact N-O 3.07Å; N235-T281 PolarHBondContact O-N 3.14Å
282V93.4Very high81.8Confident1 Ų163 Ų631%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-116.7129.7178.7-1780000108.6M197 G198 A215 V232 L233 V234 I254 V280M197-V282 CarbonylContact C-O 3.55Å; M197-V282 VanDerWaalsContact CA-O 3.25Å; M197-V282 WeakPolarHBondContact CA-O 3.5Å; G198-V282 PolarHBondContact N-O 3.16Å; G198-V282 PolarHBondContact O-N 2.84Å; A215-V282 HydrophobicContact CB-CG2 3.86Å; V232-V282 HydrophobicContact CG1-CG1 3.81Å; L233-V282 CarbonylContact O-C 3.59Å; L233-V282 WeakPolarHBondContact O-CA 3.16Å; V234-V282 HydrophobicContact CG1-CG2 4.43Å; I254-V282 HydrophobicContact CD1-CG2 3.54Å; I254-V282 HydrophobicContact CG1-CG2 4.35Å; V280-V282 HydrophobicContact CG1-CG2 4.02Å
283V92.3Very high79.9Confident2 Ų264.4 Ų64.41%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-120.3113.7170.5-179.20000108.2I133 I168 M189 M196 M197 V232 L233 T285I133-V283 HydrophobicContact CD1-CG1 3.89Å; I133-V283 HydrophobicContact CG1-CG1 4.5Å; I168-V283 HydrophobicContact CD1-CG2 4.19Å; I168-V283 HydrophobicContact CG1-CG2 3.94Å; M189-V283 HydrophobicContact CE-CG1 4.29Å; M189-V283 HydrophobicContact SD-CG1 4.47Å; M196-V283 WeakPolarHBondContact O-CA 3.38Å; M197-V283 HydrophobicContact CB-CG2 4.37Å; M197-V283 HydrophobicContact CG-CG2 4.05Å; V232-V283 WeakPolarHBondContact CA-O 3.36Å; L233-V283 HydrophobicContact CB-CB 4.28Å; L233-V283 PolarHBondContact N-O 3.02Å; L233-V283 PolarHBondContact O-N 3.4Å; V283-T285 HydrophobicContact CG1-CG2 4.14Å
284A90.8Very high77.9Confident0 Ų065.6 Ų65.60%033%0.333CS..EExtended strand (participates in β ladder)trans-98.3129.3175.800000109.6A195 M196 L226 A229 I287A195-A284 CarbonylContact C-O 3.57Å; A195-A284 WeakPolarHBondContact CA-O 3.49Å; A195-A284 WeakPolarHBondContact CB-O 3.44Å; M196-A284 PolarHBondContact N-O 2.97Å; M196-A284 PolarHBondContact O-N 2.83Å; L226-A284 HydrophobicContact CD2-CB 3.54Å; A229-A284 HydrophobicContact CB-CB 4.1Å; A284-I287 HydrophobicContact CB-CD1 3.91Å; A284-I287 WeakPolarHBondContact O-CD1 3.46Å
285T89.6Confident76Confident0 Ų072.4 Ų72.40%037%0.368CS..EExtended strand (participates in β ladder)trans-121.5161.8-17666.80000111.7V188 M189 A195 R230 G231 V283V188-T285 HydrophobicContact CG1-CG2 4.39Å; V188-T285 PolarHBondContact O-OG1 3.15Å; M189-T285 HydrophobicContact SD-CG2 3.74Å; A195-T285 HydrophobicContact CB-CG2 3.87Å; R230-T285 PolarHBondContact N-O 2.95Å; G231-T285 WeakPolarHBondContact CA-OG1 3.43Å; G231-T285 PolarHBondContact N-O 3.3Å; G231-T285 PolarHBondContact O-N 3.25Å; G231-T285 PolarHBondContact O-OG1 3.11Å; V283-T285 HydrophobicContact CG1-CG2 4.14Å
286G84.2Confident74.1Confident1 Ų171.9 Ų71.91%0.0137%0.37CS..EExtended strand (participates in β ladder)trans74.221.9-179.100000114.6Y194Y194-G286 PolarHBondContact O-N 3.09Å
287I77.4Confident72.2Confident25 Ų2575.1 Ų75.113%0.12839%0.386CS..EExtended strand (participates in β ladder)trans-75.9137.4-175.2-58.4161.6000110.5Y194 M196 I224 A229 A284Y194-I287 PolarHBondContact O-N 2.96Å; Y194-I287 VanDerWaalsContact O-N 3.09Å; M196-I287 HydrophobicContact CB-CD1 4.01Å; M196-I287 HydrophobicContact CG-CD1 4.15Å; I224-I287 HydrophobicContact CD1-CD1 4.16Å; I224-I287 HydrophobicContact CG2-CD1 3.78Å; I224-I287 HydrophobicContact CG2-CG1 4.18Å; I224-I287 HydrophobicContact CG2-CG2 3.84Å; A229-I287 HydrophobicContact CB-CG1 4.4Å; A284-I287 HydrophobicContact CB-CD1 3.91Å; A284-I287 WeakPolarHBondContact O-CD1 3.46Å
288G67.4Low70.3Confident69 Ų6977 Ų7771%0.71140%0.403SS*.THydrogen-bonded Turntrans82.59.5170.800000115.5D290G288-D290 VanDerWaalsContact C-N 3.28Å; G288-D290 PolarHBondContact O-N 3.47Å
289M59.1Low68.1Low81 Ų8183 Ų8340%0.39944%0.44SS..  trans-80.7-1.7175.5-67.7-161.882.500114.3M192 K291M192-M289 HydrophobicContact CB-SD 4.38Å; M289-K291 PolarHBondContact O-N 3.3Å
290D52.8Low65.8Low122 Ų12287 Ų8765%0.65247%0.466SS*.  trans-70.231.8-180-85.8-23.7000115.1G288 R292G288-D290 VanDerWaalsContact C-N 3.28Å; G288-D290 PolarHBondContact O-N 3.47Å; D290-R292 PolarHBondContact O-N 2.84Å
291K47.6Very low63.5Low195 Ų19595.7 Ų95.785%0.84850%0.504SS*.  trans-69.476144.6-73.7-169.1179.1-177.30107.9M289 P293M289-K291 PolarHBondContact O-N 3.3Å; K291-P293 WeakPolarHBondContact O-CD 3.5Å; K291-P293 VanDerWaalsContact O-N 3.16Å
292R43.9Very low61.1Low213 Ų213103.9 Ų103.980%0.80454%0.542SS*.  trans-48.3124152.3-80-179.3175.8-178.8-1.1105.7D290 E294D290-R292 PolarHBondContact O-N 2.84Å; R292-E294 PolarHBondContact O-N 2.67Å
293P46.1Very low59Low113 Ų113109.5 Ų109.573%0.73458%0.576SS**  trans-54.4118.9170.920.6-28.8000106.1K291 I295K291-P293 WeakPolarHBondContact O-CD 3.5Å; K291-P293 VanDerWaalsContact O-N 3.16Å; P293-I295 VanDerWaalsContact C-N 3.34Å; P293-I295 PolarHBondContact O-N 3.16Å
294E45.6Very low56.7Low174 Ų174118 Ų11881%0.81362%0.616SS**  trans-52.2107.8169.2-83.9-177.9155.400105.6R292 T296R292-E294 PolarHBondContact O-N 2.67Å; E294-T296 PolarHBondContact O-N 3.2Å; E294-T296 PolarHBondContact O-OG1 2.68Å
295I49.5Very low54.6Low152 Ų152125.8 Ų125.878%0.77965%0.652SS**  trans-64.989.7170.9-58.9171.6000104.4P293 L297P293-I295 VanDerWaalsContact C-N 3.34Å; P293-I295 PolarHBondContact O-N 3.16Å; I295-L297 VanDerWaalsContact C-N 3.26Å; I295-L297 PolarHBondContact O-N 2.83Å
296T48.4Very low52.3Low114 Ų114131.5 Ų131.570%0.69969%0.689SS**  trans-7295.117110.10000104.2E294 V298E294-T296 PolarHBondContact O-N 3.2Å; E294-T296 PolarHBondContact O-OG1 2.68Å; T296-V298 VanDerWaalsContact C-N 3.33Å; T296-V298 PolarHBondContact O-N 3.11Å
297L53.2Low50.3Low155 Ų155138.2 Ų138.281%0.81273%0.73SS**  trans-51.5103.1168.5-78.7150.4000106.9I295 T299I295-L297 VanDerWaalsContact C-N 3.26Å; I295-L297 PolarHBondContact O-N 2.83Å; L297-T299 PolarHBondContact O-N 3.01Å
298V54.8Low48.6Very low129 Ų129145.5 Ų145.578%0.78277%0.765SS**  trans-66.393.1175.8-177.20000106.1T296 N300T296-V298 VanDerWaalsContact C-N 3.33Å; T296-V298 PolarHBondContact O-N 3.11Å; V298-N300 PolarHBondContact O-N 3.1Å
299T49.3Very low47.2Very low125 Ų125149.9 Ų149.977%0.76777%0.772SS**  trans-60106.2170-11.30000106.8L297 K301L297-T299 PolarHBondContact O-N 3.01Å; T299-K301 VanDerWaalsContact C-N 3.26Å; T299-K301 PolarHBondContact O-N 3.22Å
300N45.7Very low46.2Very low149 Ų149157 Ų15780%0.79780%0.795SS**  trans-67.583.8-176.3-145.57000108.5V298 Q302V298-N300 PolarHBondContact O-N 3.1Å; N300-Q302 PolarHBondContact O-N 2.86Å
301K47.5Very low45.4Very low184 Ų184162.5 Ų162.580%0.881%0.808SS**  trans-69.397.7172.9-83.4-175175.3178.60107.3T299 V303T299-K301 VanDerWaalsContact C-N 3.26Å; T299-K301 PolarHBondContact O-N 3.22Å; K301-V303 PolarHBondContact O-N 2.93Å
302Q45.6Very low45.2Very low178 Ų178161.9 Ų161.983%0.83281%0.808SS**  trans-53101.1166-74.4175.2-11.500108.8N300 Q304N300-Q302 PolarHBondContact O-N 2.86Å; Q302-Q304 PolarHBondContact O-N 3.49Å; Q302-Q304 VanDerWaalsContact O-N 3.16Å
303V49.1Very low45.1Very low118 Ų118161 Ų16172%0.71581%0.813SS**  trans-75.5100.2168.8-1780000106.1K301 Q305K301-V303 PolarHBondContact O-N 2.93Å; V303-Q305 VanDerWaalsContact C-N 3.3Å; V303-Q305 HydrophobicContact CG1-CG 4.12Å; V303-Q305 PolarHBondContact O-N 3.41Å
304Q44Very low44.7Very low182 Ų182164.2 Ų164.285%0.8582%0.818SS**  trans-61.294.4164.4-82173.7-10.400108Q302Q302-Q304 PolarHBondContact O-N 3.49Å; Q302-Q304 VanDerWaalsContact O-N 3.16Å
305Q44.9Very low44.4Very low162 Ų162159.5 Ų159.576%0.75782%0.816SS**  trans-82.3126.1165.4-83.5-175.94.100108.9V303 V307V303-Q305 VanDerWaalsContact C-N 3.3Å; V303-Q305 HydrophobicContact CG1-CG 4.12Å; V303-Q305 PolarHBondContact O-N 3.41Å; Q305-V307 PolarHBondContact O-N 2.74Å
306P42.5Very low43.8Very low120 Ų120161 Ų16178%0.77982%0.822SS**  trans-69124.317625.8-30.1000110M308P306-M308 PolarHBondContact O-N 3.44Å; P306-M308 VanDerWaalsContact O-N 3.07Å
307V42Very low43.4Very low142 Ų142159.8 Ų159.886%0.86182%0.824SS**  trans-66.6102.2176.1-1760000107.9Q305Q305-V307 PolarHBondContact O-N 2.74Å
308M41.3Very low42.7Very low178 Ų178158.5 Ų158.588%0.87783%0.825SS**  trans-85.7118.6171.4-103.5-166.417100110.1P306 R310P306-M308 PolarHBondContact O-N 3.44Å; P306-M308 VanDerWaalsContact O-N 3.07Å; M308-R310 PolarHBondContact O-N 2.68Å; M308-R310 VanDerWaalsContact O-N 3.16Å
309D38.5Very low42Very low161 Ų161160.5 Ų160.586%0.86183%0.83SS**  trans-44.6105.2171.9-82.3-47000113.7
310R39Very low41.4Very low232 Ų232160.9 Ų160.988%0.87583%0.832SS**  trans-143.761.2161.6-74.9-168174.1159.9-1.3111.4M308M308-R310 PolarHBondContact O-N 2.68Å; M308-R310 VanDerWaalsContact O-N 3.16Å
311Y35.5Very low40.9Very low236 Ų236162.4 Ų162.493%0.92583%0.834SS**  trans-121.976.1166.1-82.3-83.7000110.5
312Q42.9Very low40.4Very low183 Ų183162.8 Ų162.886%0.85584%0.839SS**  trans-12684157.7-89.2-176.1-15.200108.1
313Q41.1Very low39.9Very low195 Ų195163 Ų16391%0.91184%0.84SS**  trans-155100.9145.1-111.4169.624.200108G315Q313-G315 PolarHBondContact O-N 3.11Å
314H39.5Very low39.5Very low180 Ų180166.8 Ų166.883%0.83385%0.847SS**  trans-67.1119.5172-76.345.6000109
315G39Very low39.2Very low75 Ų75164 Ų16477%0.77385%0.845SS**  trans-144.284.9166.100000108.1Q313 A317Q313-G315 PolarHBondContact O-N 3.11Å; G315-A317 PolarHBondContact O-N 3.36Å
316M36.3Very low38.9Very low184 Ų184163 Ų16391%0.90685%0.849SS**  trans-72.3120.8-179.9-67.6175.472.900110.4
317A40Very low38.8Very low88 Ų88161.8 Ų161.873%0.72785%0.85SS**  trans-147.6120.8150.300000108.5G315G315-A317 PolarHBondContact O-N 3.36Å
318P38Very low38.5Very low128 Ų128164.1 Ų164.183%0.83185%0.848SS**PPolyproline II helixtrans-78.5122.4-173.328.1-30.6000111.4
319L41.5Very low38.2Very low171 Ų171162.5 Ų162.590%0.89585%0.848SS**PPolyproline II helixtrans-95119.4163.4-74.9169000108.9
320T35.8Very low38.2Very low133 Ų133159.9 Ų159.982%0.81684%0.838SS**PPolyproline II helixtrans-47.9131.9177.427.20000113.5E322T320-E322 PolarHBondContact O-N 3.15Å
321Q36.1Very low38Very low180 Ų180155.2 Ų155.284%0.84183%0.83SS**PPolyproline II helixtrans-64.3118.5167.6-76.8170.8-22.200110.4
322E36.1Very low38.2Very low192 Ų192150.5 Ų150.590%0.89782%0.821SS**  trans-114.7112.3154.9-83.9-175131.100109.2T320T320-E322 PolarHBondContact O-N 3.15Å
323Q35.2Very low37.8Very low182 Ų182149 Ų14985%0.8582%0.818SS**  trans-68.7125.6176.9-65.9168.1-9.200109.4
324K40Very low37.6Very low199 Ų199143.3 Ų143.387%0.86581%0.805SS**  trans-113.3136.3163-105.8-176.1177-178.90110.3
325P39.1Very low37.6Very low124 Ų124140.7 Ų140.781%0.80580%0.804SS**  trans-83.6146.8-163.2-3.723.3000112.3A327P325-A327 PolarHBondContact O-N 3.4Å
326V36.8Very low37.7Very low140 Ų140146.4 Ų146.485%0.84881%0.811SS**  trans-63.4110.4171.6177.90000109.5K328V326-K328 PolarHBondContact O-N 3.3Å
327A40.4Very low37.8Very low95 Ų95143.6 Ų143.679%0.78580%0.804SS**  trans-78.1118.5169.200000109.2P325P325-A327 PolarHBondContact O-N 3.4Å
328K36.3Very low38Very low191 Ų191144.2 Ų144.283%0.8381%0.809SS**  trans-62132.4176.3-82.1175.6171.1177.80110.8V326 V330V326-K328 PolarHBondContact O-N 3.3Å; K328-V330 PolarHBondContact O-N 3.48Å
329V35.9Very low38.4Very low143 Ų143147.6 Ų147.687%0.86781%0.81SS**  trans-63.9110.2166.9-176.50000108
330V38.4Very low38.8Very low107 Ų107147.9 Ų147.965%0.64881%0.807SS**  trans-90.9119170.3177.90000107.3K328 D332K328-V330 PolarHBondContact O-N 3.48Å; V330-D332 PolarHBondContact O-N 3.45Å
331N34.9Very low39.8Very low134 Ų134146 Ų14672%0.71780%0.798SS**  trans-9183-179.1-163.725.5000107.9N333N331-N333 PolarHBondContact O-N 2.89Å; N331-N333 VanDerWaalsContact O-N 3.09Å
332D39.2Very low41.3Very low137 Ų137142.1 Ų142.173%0.73378%0.782SS**  trans-80.387.5178.6-80.8-28000110.4V330 A334V330-D332 PolarHBondContact O-N 3.45Å; D332-A334 VanDerWaalsContact C-N 3.33Å; D332-A334 PolarHBondContact O-N 3.42Å
333N35.2Very low43Very low150 Ų150139.5 Ų139.580%0.80277%0.765SS**  trans-7685.3159.4-86-19.8000108.6N331N331-N333 PolarHBondContact O-N 2.89Å; N331-N333 VanDerWaalsContact O-N 3.09Å
334A36.9Very low44.7Very low76 Ų76136.7 Ų136.763%0.62876%0.755SS**  trans-107.9133.3165.600000109.7D332 Q336D332-A334 VanDerWaalsContact C-N 3.33Å; D332-A334 PolarHBondContact O-N 3.42Å; A334-Q336 PolarHBondContact O-N 2.91Å
335P39.2Very low46.2Very low125 Ų125133 Ų13381%0.81275%0.745SS**  trans-63.6127.4-176.7-12.725.6000110.4T337P335-T337 PolarHBondContact O-N 3.16Å
336Q40Very low47.7Very low196 Ų196129.7 Ų129.792%0.91672%0.72SS**  trans-60.4102.7174-72.2175.3-16.300109A334 A338A334-Q336 PolarHBondContact O-N 2.91Å; Q336-A338 PolarHBondContact O-N 2.75Å
337T38.8Very low49.1Very low124 Ų124126.3 Ų126.376%0.76170%0.701SS**  trans-62.2122.7166.146.70000107.5P335 K339P335-T337 PolarHBondContact O-N 3.16Å; T337-K339 PolarHBondContact O-N 2.79Å
338A43.5Very low50.5Low101 Ų101125.5 Ų125.584%0.83569%0.694SS**  trans-48.5107.7174.500000108.6Q336 E340Q336-A338 PolarHBondContact O-N 2.75Å; A338-E340 PolarHBondContact O-N 2.91Å
339K47.3Very low52.5Low199 Ų199124.4 Ų124.487%0.86569%0.69SS**PPolyproline II helixtrans-65.7118.2173.4-82-177.3171-175.20106.6T337T337-K339 PolarHBondContact O-N 2.79Å
340E50.6Low54.1Low177 Ų177122.2 Ų122.283%0.82767%0.673SS**PPolyproline II helixtrans-51.4134.5161.4-77.9174.7145.700108.1A338 D342A338-E340 PolarHBondContact O-N 2.91Å; E340-D342 PolarHBondContact O-N 3.24Å
341P56.7Low55.7Low95 Ų95121.1 Ų121.162%0.61766%0.657SS**PPolyproline II helixtrans-57.8133.4179.922.9-30.7000109Y343P341-Y343 PolarHBondContact O-N 2.93Å
342D67.8Low56.9Low97 Ų97124.1 Ų124.152%0.51966%0.664SS.*PPolyproline II helixtrans-58.4142.5175.7-163.3-11000107.8E340 L344 D345E340-D342 PolarHBondContact O-N 3.24Å; D342-L344 PolarHBondContact O-N 2.78Å; D342-D345 WeakPolarHBondContact O-CB 3.35Å; D342-D345 PolarHBondContact O-N 2.9Å
343Y70.5Confident57.4Low137 Ų137126.4 Ų126.454%0.53767%0.67SS.*G310 helixtrans-55.3-23.4-179.8-178-100000111.8P341P341-Y343 PolarHBondContact O-N 2.93Å
344L71.7Confident58Low123 Ų123123.1 Ų123.164%0.64466%0.664SS**G310 helixtrans-72.7-25.6174.6-66.6170.6000114.3D342 I346 R351D342-L344 PolarHBondContact O-N 2.78Å; L344-I346 VanDerWaalsContact C-N 3.29Å; L344-I346 PolarHBondContact O-N 3.16Å; L344-R351 PolarHBondContact O-NH2 2.97Å; L344-R351 VanDerWaalsContact O-NH2 3.14Å
345D71.5Confident58.4Low121 Ų121130.3 Ų130.365%0.64769%0.692SS**G310 helixtrans-80.5-8.7179.7-67-28.9000112.9D342 P347D342-D345 WeakPolarHBondContact O-CB 3.35Å; D342-D345 PolarHBondContact O-N 2.9Å; D345-P347 WeakPolarHBondContact O-CD 3.2Å
346I69.8Low59.4Low56 Ų56130.6 Ų130.629%0.28769%0.686SS.*SBendtrans-84.6121.7178.1-54.6174.5000109.3L344 L350 R351L344-I346 VanDerWaalsContact C-N 3.29Å; L344-I346 PolarHBondContact O-N 3.16Å; I346-L350 HydrophobicContact CG2-CB 3.79Å; I346-R351 HydrophobicContact CG2-CG 4.3Å; I346-R351 PolarHBondContact O-NE 3.44Å; I346-R351 PolarHBondContact O-NH2 2.92Å
347P65.8Low60.4Low68 Ų68127.2 Ų127.244%0.44267%0.674SS.*  trans-52.6141.6175.6-28.235.3000113D345 F349 L350D345-P347 WeakPolarHBondContact O-CD 3.2Å; P347-F349 HydrophobicContact CB-CD1 3.81Å; P347-F349 HydrophobicContact CB-CE1 3.63Å; P347-F349 HydrophobicContact CG-CE1 4.4Å; P347-F349 PolarHBondContact O-N 3.07Å; P347-L350 PolarHBondContact O-N 3.16Å
348A71.2Confident61.6Low78 Ų78127.3 Ų127.365%0.64567%0.669SS**G310 helixtrans-56.7-31.3-169.600000114.4L350 R351A348-L350 VanDerWaalsContact C-N 3.3Å; A348-L350 PolarHBondContact O-N 3.5Å; A348-R351 PolarHBondContact O-N 3.37Å
349F77.2Confident62.6Low168 Ų168128.9 Ų128.974%0.73766%0.659SS**G310 helixtrans-71.2-22.3179.776.7-89000113.6P347P347-F349 HydrophobicContact CB-CD1 3.81Å; P347-F349 HydrophobicContact CB-CE1 3.63Å; P347-F349 HydrophobicContact CG-CE1 4.4Å; P347-F349 PolarHBondContact O-N 3.07Å
350L69.8Low63.6Low98 Ų98124.5 Ų124.551%0.51365%0.646SS.*G310 helixtrans-87.7-12.7177.8-72.7168.7000113.4I346 P347 A348 K352I346-L350 HydrophobicContact CG2-CB 3.79Å; P347-L350 PolarHBondContact O-N 3.16Å; A348-L350 VanDerWaalsContact C-N 3.3Å; A348-L350 PolarHBondContact O-N 3.5Å; L350-K352 PolarHBondContact O-N 3.44Å
351R73.1Confident64.5Low84 Ų84121 Ų12132%0.31763%0.634SS.*G310 helixtrans-69.9-11.6-175.9-63-176.7-170.4176.6-0.9114.1L344 I346 A348L344-R351 PolarHBondContact O-NH2 2.97Å; L344-R351 VanDerWaalsContact O-NH2 3.14Å; I346-R351 HydrophobicContact CG2-CG 4.3Å; I346-R351 PolarHBondContact O-NE 3.44Å; I346-R351 PolarHBondContact O-NH2 2.92Å; A348-R351 PolarHBondContact O-N 3.37Å
352K60.3Low65Low196 Ų196122.9 Ų122.985%0.85264%0.635SS**G310 helixtrans-92.512.5-173.2-84.2-169.8174.9-178.60116.2L350L350-K352 PolarHBondContact O-N 3.44Å
353Q49.4Very low64.8Low186 Ų186124.8 Ų124.887%0.86964%0.644SS**G310 helixtrans-114.311.9173.3-79.8-166-2000114.4
354A48.1Very low64.3Low81 Ų81123.8 Ų123.867%0.66965%0.653SS**  trans-106.81.6-176.400000115.6
355D44.3Very low63.7Low227 Ų227123.9 Ų123.9100%1.21465%0.654SS**  trans-115.20171-72.8-32.2000110.7

Retrieved 355 of 355 residues in 64.9 ms (Link to these results)

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