A0AA82N804_SCHMA Loading...

Ubiquitin, putative

AlphaFold DB (A0A3Q0KK80), UniProt , Accession A0AA82N804, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 132 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
1M91.5Very high89.9Confident19 Ų1966.9 Ų66.99%0.09435%0.35CS..  0139.7069.1173.517800114L3 V17 D19 L57 I62 D64M1-L3 HydrophobicContact CE-CD1 3.6Å; M1-L3 HydrophobicContact CE-CG 4.25Å; M1-L3 HydrophobicContact CG-CG 4.3Å; M1-L3 HydrophobicContact SD-CD1 4.13Å; M1-L3 HydrophobicContact SD-CD2 4.06Å; M1-L3 HydrophobicContact SD-CG 4.15Å; M1-V17 HydrophobicContact CE-CG2 3.29Å; M1-V17 HydrophobicContact CG-CG2 3.48Å; M1-V17 VanDerWaalsContact CG-CG2 3.48Å; M1-V17 PolarHBondContact N-O 3.17Å; M1-V17 PolarHBondContact O-N 2.98Å; M1-V17 VanDerWaalsContact O-O 3.05Å; M1-V17 HydrophobicContact SD-CG2 4.21Å; M1-D19 WeakPolarHBondContact CA-OD1 3.43Å; M1-D19 WeakPolarHBondContact CB-OD1 3.25Å; M1-D19 PolarHBondContact N-OD1 3.28Å; M1-L57 HydrophobicContact CE-CB 3.8Å; M1-L57 HydrophobicContact CE-CD1 3.12Å; M1-L57 HydrophobicContact CE-CG 4.06Å; M1-I62 HydrophobicContact CE-CG2 4.47Å; M1-D64 VanDerWaalsContact C-OD1 3.29Å; M1-D64 WeakPolarHBondContact CA-OD1 3.49Å; M1-D64 HydrophobicContact CB-CB 4.01Å; M1-D64 WeakPolarHBondContact CB-OD1 3.27Å
2Q93.4Very high90.2Very high95 Ų9568.3 Ų68.344%0.44435%0.353SS..EExtended strand (participates in β ladder)trans-95.3119.6171.2-74.5-177.549.200110.1V14 Q16 D64 G65Q2-V14 HydrophobicContact CB-CG1 4.07Å; Q2-V14 HydrophobicContact CG-CG1 4.31Å; Q2-Q16 HydrophobicContact CG-CG 4.29Å; Q2-Q16 VanDerWaalsContact CG-OE1 3.31Å; Q2-Q16 VanDerWaalsContact NE2-NE2 3.18Å; Q2-D64 PolarHBondContact N-OD1 2.78Å; Q2-G65 WeakPolarHBondContact O-CA 3.1Å; Q2-G65 PolarHBondContact O-N 2.73Å
3L95.1Very high90.5Very high0 Ų070.8 Ų70.80%036%0.36CS..EExtended strand (participates in β ladder)trans-116.3136.3176.8-63.6178.5000109.9M1 V14 V15 V17 L26 I62 K63 D66 L68M1-L3 HydrophobicContact CE-CD1 3.6Å; M1-L3 HydrophobicContact CE-CG 4.25Å; M1-L3 HydrophobicContact CG-CG 4.3Å; M1-L3 HydrophobicContact SD-CD1 4.13Å; M1-L3 HydrophobicContact SD-CD2 4.06Å; M1-L3 HydrophobicContact SD-CG 4.15Å; L3-V14 CarbonylContact O-C 3.53Å; L3-V14 WeakPolarHBondContact O-CA 3.32Å; L3-V15 HydrophobicContact CB-CG2 4.2Å; L3-V15 PolarHBondContact N-O 3.31Å; L3-V15 WeakPolarHBondContact O-CG2 3.38Å; L3-V15 PolarHBondContact O-N 3.23Å; L3-V17 HydrophobicContact CD1-CG2 4.02Å; L3-L26 HydrophobicContact CD1-CD1 3.77Å; L3-L26 HydrophobicContact CD1-CD2 3.87Å; L3-L26 HydrophobicContact CD1-CG 4.45Å; L3-I62 HydrophobicContact CD1-CG2 3.97Å; L3-I62 HydrophobicContact CD2-CG2 3.6Å; L3-I62 HydrophobicContact CG-CG2 4.46Å; L3-K63 WeakPolarHBondContact CD2-O 3.4Å; L3-D66 HydrophobicContact CD2-CB 4.07Å; L3-L68 HydrophobicContact CB-CD1 3.85Å; L3-L68 HydrophobicContact CD1-CD1 3.88Å; L3-L68 HydrophobicContact CD2-CD1 4.14Å; L3-L68 HydrophobicContact CG-CD1 4.19Å
4T95.7Very high90.8Very high27 Ų2771.7 Ų71.717%0.16637%0.37CS..EExtended strand (participates in β ladder)trans-93.2117.9175.5-610000109.1E12 D66 R67 L68T4-E12 HydrophobicContact CG2-CB 4.21Å; T4-E12 HydrophobicContact CG2-CG 4.32Å; T4-D66 PolarHBondContact N-O 3.15Å; T4-R67 HydrophobicContact CG2-CG 3.85Å; T4-R67 CarbonylContact O-C 3.44Å; T4-R67 VanDerWaalsContact O-CA 3.3Å; T4-R67 WeakPolarHBondContact O-CA 3.26Å; T4-L68 PolarHBondContact O-N 2.83Å
5V95.8Very high91.1Very high0 Ų067.4 Ų67.40%035%0.348CS..EExtended strand (participates in β ladder)trans-106.9120.6179.3176.40000109.3E12 K13 V15 V30 F34 L43 L68 L70V5-E12 VanDerWaalsContact O-CA 3.3Å; V5-E12 WeakPolarHBondContact O-CA 3.43Å; V5-K13 PolarHBondContact N-O 3.46Å; V5-K13 PolarHBondContact O-N 3.36Å; V5-V15 HydrophobicContact CB-CG2 4.36Å; V5-V15 HydrophobicContact CG2-CG2 3.46Å; V5-V15 VanDerWaalsContact CG2-CG2 3.46Å; V5-V30 HydrophobicContact CG1-CG2 4.24Å; V5-V30 HydrophobicContact CG2-CG2 3.98Å; V5-F34 HydrophobicContact CB-CE2 4.1Å; V5-F34 HydrophobicContact CG1-CE2 3.88Å; V5-F34 HydrophobicContact CG1-CZ 4.32Å; V5-L43 HydrophobicContact CG1-CD2 4.18Å; V5-L68 WeakPolarHBondContact CA-O 3.49Å; V5-L68 HydrophobicContact CG2-CB 4.46Å; V5-L70 HydrophobicContact CG1-CB 3.66Å; V5-L70 HydrophobicContact CG1-CD2 4.35Å
6K94.1Very high91.3Very high101 Ų10170.9 Ų70.944%0.43936%0.363SS..EExtended strand (participates in β ladder)trans-109.5109.6178.3-178.2169.7-179.3173.30110.9E12 L68 T69 L70K6-E12 HydrophobicContact CB-CB 3.94Å; K6-E12 HydrophobicContact CG-CB 4.21Å; K6-L68 PolarHBondContact N-O 3.12Å; K6-T69 WeakPolarHBondContact O-CA 3.38Å; K6-L70 PolarHBondContact O-N 2.92Å
7P91Very high91.4Very high4 Ų467.6 Ų67.63%0.02635%0.347CS..EExtended strand (participates in β ladder)trans-70.4158.1166.5-12.728.5000111.4T9 R10 A11 F34 L70P7-T9 VanDerWaalsContact C-N 3.35Å; P7-R10 HydrophobicContact CB-CB 4.16Å; P7-R10 HydrophobicContact CG-CB 4.1Å; P7-A11 WeakPolarHBondContact CD-O 3.24Å; P7-F34 HydrophobicContact CG-CD1 3.84Å; P7-F34 HydrophobicContact CG-CE1 3.28Å; P7-F34 HydrophobicContact CG-CZ 3.68Å; P7-L70 WeakPolarHBondContact CA-O 3.41Å; P7-L70 HydrophobicContact CB-CD2 4.49Å; P7-L70 HydrophobicContact CG-CD2 4.26Å
8L85.8Confident91.5Very high134 Ų13471.2 Ų71.270%0.70237%0.367SS*.SBendtrans-71.1-29.8174.2-67.3-179.5000113.4T69 L71L8-T69 HydrophobicContact CD2-CG2 4.26Å; L8-L71 HydrophobicContact CD1-CD2 3.37Å; L8-L71 HydrophobicContact CD2-CD2 4.34Å; L8-L71 HydrophobicContact CG-CD2 3.77Å
9T78.9Confident91.4Very high115 Ų11572.9 Ų72.971%0.70638%0.377SS*.SBendtrans-107.2-10.6-170.3540000114.1P7P7-T9 VanDerWaalsContact C-N 3.35Å
10R79.1Confident91.4Very high160 Ų16075.5 Ų75.560%0.60439%0.391SS*.SBendtrans-133165.5-172.9-66.1-174.5179.4-171.50.7110.9P7P7-R10 HydrophobicContact CB-CB 4.16Å; P7-R10 HydrophobicContact CG-CB 4.1Å
11A88.2Confident91.4Very high81 Ų8172 Ų7267%0.66937%0.373SS*.  trans-59.7149.6171.700000111.6P7P7-A11 WeakPolarHBondContact CD-O 3.24Å
12E93.5Very high91.6Very high84 Ų8476.1 Ų76.139%0.39339%0.389SS..  trans-69.2148.7174.562.5-167-143.400111.7T4 V5 K6 R67T4-E12 HydrophobicContact CG2-CB 4.21Å; T4-E12 HydrophobicContact CG2-CG 4.32Å; V5-E12 VanDerWaalsContact O-CA 3.3Å; V5-E12 WeakPolarHBondContact O-CA 3.43Å; K6-E12 HydrophobicContact CB-CB 3.94Å; K6-E12 HydrophobicContact CG-CB 4.21Å; E12-R67 VanDerWaalsContact CD-NH1 3.32Å; E12-R67 IonicContact OE1-CZ 3.06Å; E12-R67 IonicContact OE1-NH1 3.77Å; E12-R67 PolarHBondContact OE1-NH1 3.3Å; E12-R67 IonicContact OE1-NH2 2.73Å; E12-R67 IonicContact OE2-CZ 2.78Å; E12-R67 IonicContact OE2-NH1 3.19Å; E12-R67 PolarHBondContact OE2-NH1 3.38Å; E12-R67 IonicContact OE2-NH2 2.67Å; E12-R67 PolarHBondContact OE2-NH2 3.07Å
13K93.7Very high91.7Very high100 Ų10071.6 Ų71.644%0.43537%0.368SS..EExtended strand (participates in β ladder)trans-131.5151.2174.3-61.9-173.8179.4-172.60109.9V5 A33 F34V5-K13 PolarHBondContact N-O 3.46Å; V5-K13 PolarHBondContact O-N 3.36Å; K13-A33 HydrophobicContact CD-CB 4.46Å; K13-A33 PolarHBondContact NZ-O 3.12Å; K13-F34 HydrophobicContact CB-CE1 4.19Å; K13-F34 HydrophobicContact CB-CE2 4.03Å; K13-F34 HydrophobicContact CB-CZ 3.53Å; K13-F34 HydrophobicContact CD-CD1 4.15Å; K13-F34 HydrophobicContact CD-CE1 3.7Å; K13-F34 HydrophobicContact CD-CE2 4.31Å; K13-F34 HydrophobicContact CD-CZ 3.82Å; K13-F34 HydrophobicContact CG-CE1 3.72Å; K13-F34 HydrophobicContact CG-CE2 4.4Å; K13-F34 HydrophobicContact CG-CZ 3.61Å
14V95.2Very high91.7Very high84 Ų8473.4 Ų73.451%0.50938%0.38SS..EExtended strand (participates in β ladder)trans-90.5130.2172.1-176.20000108.7Q2 L3Q2-V14 HydrophobicContact CB-CG1 4.07Å; Q2-V14 HydrophobicContact CG-CG1 4.31Å; L3-V14 CarbonylContact O-C 3.53Å; L3-V14 WeakPolarHBondContact O-CA 3.32Å
15V94.8Very high91.6Very high7 Ų775.4 Ų75.44%0.04239%0.39CS..EExtended strand (participates in β ladder)trans-116139.7174-80.80000109.7L3 V5 L26 A29 V30 A33L3-V15 HydrophobicContact CB-CG2 4.2Å; L3-V15 PolarHBondContact N-O 3.31Å; L3-V15 WeakPolarHBondContact O-CG2 3.38Å; L3-V15 PolarHBondContact O-N 3.23Å; V5-V15 HydrophobicContact CB-CG2 4.36Å; V5-V15 HydrophobicContact CG2-CG2 3.46Å; V5-V15 VanDerWaalsContact CG2-CG2 3.46Å; V15-L26 HydrophobicContact CG2-CD1 3.94Å; V15-A29 HydrophobicContact CB-CB 4.25Å; V15-A29 HydrophobicContact CG1-CB 4.34Å; V15-V30 HydrophobicContact CG2-CG2 4.49Å; V15-A33 HydrophobicContact CG1-CB 3.64Å
16Q94.1Very high91.6Very high123 Ų12375.4 Ų75.458%0.57539%0.39SS*.EExtended strand (participates in β ladder)trans-100.5130177.8-70.3-88.39.400109Q2Q2-Q16 HydrophobicContact CG-CG 4.29Å; Q2-Q16 VanDerWaalsContact CG-OE1 3.31Å; Q2-Q16 VanDerWaalsContact NE2-NE2 3.18Å
17V94.3Very high91.6Very high16 Ų1671 Ų7110%0.09737%0.371CS..  trans-140.2163.9172.5-64.30000110.1M1 L3 A21 L26 A29 L57M1-V17 HydrophobicContact CE-CG2 3.29Å; M1-V17 HydrophobicContact CG-CG2 3.48Å; M1-V17 VanDerWaalsContact CG-CG2 3.48Å; M1-V17 PolarHBondContact N-O 3.17Å; M1-V17 PolarHBondContact O-N 2.98Å; M1-V17 VanDerWaalsContact O-O 3.05Å; M1-V17 HydrophobicContact SD-CG2 4.21Å; L3-V17 HydrophobicContact CD1-CG2 4.02Å; V17-A21 HydrophobicContact CB-CB 3.92Å; V17-A21 HydrophobicContact CG2-CB 4.12Å; V17-L26 HydrophobicContact CG1-CD1 4.03Å; V17-A29 HydrophobicContact CG1-CB 3.7Å; V17-L57 HydrophobicContact CG2-CD1 4.26Å
18N92.9Very high91.8Very high131 Ų13173.8 Ų73.870%0.70139%0.391SS*.  trans-66.7155.5177.4-65-28.1000111.6N20 A21N18-N20 PolarHBondContact O-N 3.37Å; N18-A21 HydrophobicContact CB-CB 4.24Å; N18-A21 WeakPolarHBondContact O-CB 3.01Å; N18-A21 PolarHBondContact O-N 2.9Å
19D89.3Confident92.1Very high105 Ų10568.4 Ų68.456%0.56137%0.365SS*.THydrogen-bonded Turntrans-66.5-27.5-178.8-64.3-19.1000112.8M1M1-D19 WeakPolarHBondContact CA-OD1 3.43Å; M1-D19 WeakPolarHBondContact CB-OD1 3.25Å; M1-D19 PolarHBondContact N-OD1 3.28Å
20N90.6Very high92.8Very high123 Ų12362.9 Ų62.966%0.65833%0.331SS*.THydrogen-bonded Turntrans-101.522.4174.8-61.1-14.5000112.2N18N18-N20 PolarHBondContact O-N 3.37Å
21A93.3Very high93.3Very high2 Ų259.2 Ų59.22%0.01732%0.32CS..  trans-64.7150.2-17800000112.2V17 N18 D25 L57V17-A21 HydrophobicContact CB-CB 3.92Å; V17-A21 HydrophobicContact CG2-CB 4.12Å; N18-A21 HydrophobicContact CB-CB 4.24Å; N18-A21 WeakPolarHBondContact O-CB 3.01Å; N18-A21 PolarHBondContact O-N 2.9Å; A21-D25 WeakPolarHBondContact CA-OD2 3.42Å; A21-D25 HydrophobicContact CB-CB 3.95Å; A21-L57 HydrophobicContact CB-CD1 3.81Å; A21-L57 WeakPolarHBondContact O-CB 3.18Å; A21-L57 VanDerWaalsContact O-CG 3.31Å; A21-L57 WeakPolarHBondContact O-CG 3.45Å; A21-L57 PolarHBondContact O-N 3.4Å
22Y95.2Very high93.4Very high107 Ų10761 Ų6142%0.4233%0.326SS..BIsolated β-bridgetrans-90.1165.1174.3-69.2-100.5000110.5S24 D25 L26 D54 P56Y22-S24 WeakPolarHBondContact CB-OG 3.47Å; Y22-S24 PolarHBondContact O-N 3.38Å; Y22-D25 PolarHBondContact N-OD2 3.48Å; Y22-D25 WeakPolarHBondContact O-CB 3.4Å; Y22-D25 PolarHBondContact O-N 2.92Å; Y22-D25 VanDerWaalsContact O-N 3.13Å; Y22-L26 PolarHBondContact O-N 2.79Å; Y22-D54 WeakPolarHBondContact CD1-O 3.31Å; Y22-D54 VanDerWaalsContact CE1-O 3.27Å; Y22-D54 WeakPolarHBondContact CE1-O 3.27Å; Y22-P56 HydrophobicContact CD1-CG 4.38Å; Y22-P56 HydrophobicContact CE1-CG 3.99Å
23V95.2Very high93.2Very high0 Ų058.2 Ų58.20%032%0.317CS..Hα-helixtrans-57.2-37.2173.11710000110.9D25 L26 L27 L50 D52 K55 L57 Y60V23-D25 VanDerWaalsContact C-N 3.34Å; V23-D25 PolarHBondContact O-N 2.94Å; V23-L26 PolarHBondContact O-N 3.34Å; V23-L27 HydrophobicContact CG1-CD1 4.07Å; V23-L27 HydrophobicContact CG1-CG 4.29Å; V23-L27 VanDerWaalsContact O-CG 3.3Å; V23-L27 WeakPolarHBondContact O-CG 3.31Å; V23-L27 PolarHBondContact O-N 2.88Å; V23-L50 HydrophobicContact CG1-CB 3.91Å; V23-L50 HydrophobicContact CG2-CB 4.15Å; V23-L50 HydrophobicContact CG2-CD1 4.4Å; V23-L50 HydrophobicContact CG2-CD2 4.34Å; V23-D52 VanDerWaalsContact CB-O 3.24Å; V23-D52 WeakPolarHBondContact CB-O 3.43Å; V23-D52 WeakPolarHBondContact CG2-O 3.47Å; V23-K55 WeakPolarHBondContact CG2-O 3.15Å; V23-K55 PolarHBondContact N-O 3.32Å; V23-K55 VanDerWaalsContact N-O 3.08Å; V23-L57 HydrophobicContact CB-CD2 4.48Å; V23-L57 HydrophobicContact CG2-CD2 3.81Å; V23-Y60 HydrophobicContact CG2-CD2 4.21Å; V23-Y60 HydrophobicContact CG2-CE2 3.76Å
24S94.7Very high92.9Very high38 Ų3853.8 Ų53.827%0.26630%0.298SS..Hα-helixtrans-57.3-40.7174.2550000113.9Y22 L27 S28 K53Y22-S24 WeakPolarHBondContact CB-OG 3.47Å; Y22-S24 PolarHBondContact O-N 3.38Å; S24-L27 PolarHBondContact O-N 3.45Å; S24-S28 PolarHBondContact O-N 2.82Å; S24-S28 PolarHBondContact O-OG 3.39Å; S24-K53 WeakPolarHBondContact CB-O 3.43Å; S24-K53 PolarHBondContact N-O 3.36Å; S24-K53 PolarHBondContact OG-O 3.19Å
25D94.9Very high92.4Very high68 Ų6855.8 Ų55.836%0.36431%0.306SS..Hα-helixtrans-66.2-42177.1-61-45.3000111.1A21 Y22 V23 S28 A29A21-D25 WeakPolarHBondContact CA-OD2 3.42Å; A21-D25 HydrophobicContact CB-CB 3.95Å; Y22-D25 PolarHBondContact N-OD2 3.48Å; Y22-D25 WeakPolarHBondContact O-CB 3.4Å; Y22-D25 PolarHBondContact O-N 2.92Å; Y22-D25 VanDerWaalsContact O-N 3.13Å; V23-D25 VanDerWaalsContact C-N 3.34Å; V23-D25 PolarHBondContact O-N 2.94Å; D25-S28 WeakPolarHBondContact O-CB 3.25Å; D25-S28 PolarHBondContact O-N 3.47Å; D25-A29 PolarHBondContact O-N 3.22Å
26L95Very high91.9Very high0 Ų056.3 Ų56.30%031%0.308CS..Hα-helixtrans-65.6-41.3177.1-177.258.3000112L3 V15 V17 Y22 V23 S28 A29 V30 L43 L50 L57 L68L3-L26 HydrophobicContact CD1-CD1 3.77Å; L3-L26 HydrophobicContact CD1-CD2 3.87Å; L3-L26 HydrophobicContact CD1-CG 4.45Å; V15-L26 HydrophobicContact CG2-CD1 3.94Å; V17-L26 HydrophobicContact CG1-CD1 4.03Å; Y22-L26 PolarHBondContact O-N 2.79Å; V23-L26 PolarHBondContact O-N 3.34Å; L26-S28 VanDerWaalsContact C-N 3.27Å; L26-S28 PolarHBondContact O-N 3.28Å; L26-A29 PolarHBondContact O-N 2.97Å; L26-V30 HydrophobicContact CD1-CG2 4.36Å; L26-V30 WeakPolarHBondContact O-CB 3.43Å; L26-V30 VanDerWaalsContact O-CG2 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.33Å; L26-V30 PolarHBondContact O-N 3.46Å; L26-L43 HydrophobicContact CB-CD1 4.45Å; L26-L43 HydrophobicContact CD2-CD1 3.74Å; L26-L43 HydrophobicContact CG-CD1 3.68Å; L26-L50 HydrophobicContact CD2-CD1 4.24Å; L26-L57 HydrophobicContact CB-CD1 3.95Å; L26-L57 HydrophobicContact CB-CD2 4.28Å; L26-L57 HydrophobicContact CD2-CD1 4.24Å; L26-L57 HydrophobicContact CD2-CD2 3.77Å; L26-L68 HydrophobicContact CD2-CD1 4.48Å; L26-L68 HydrophobicContact CD2-CD2 3.83Å
27L94.5Very high91.5Very high10 Ų1053 Ų535%0.05229%0.294CS..Hα-helixtrans-61.2-38.7174.2-66.9169.9000111.6V23 S24 V30 K31 P38 Q41 L43 K53V23-L27 HydrophobicContact CG1-CD1 4.07Å; V23-L27 HydrophobicContact CG1-CG 4.29Å; V23-L27 VanDerWaalsContact O-CG 3.3Å; V23-L27 WeakPolarHBondContact O-CG 3.31Å; V23-L27 PolarHBondContact O-N 2.88Å; S24-L27 PolarHBondContact O-N 3.45Å; L27-V30 PolarHBondContact O-N 3.46Å; L27-K31 PolarHBondContact O-N 2.95Å; L27-P38 HydrophobicContact CB-CB 4.01Å; L27-P38 HydrophobicContact CB-CG 4.33Å; L27-P38 HydrophobicContact CD1-CB 4.45Å; L27-Q41 HydrophobicContact CD2-CB 3.75Å; L27-Q41 VanDerWaalsContact CD2-OE1 3.26Å; L27-Q41 PolarHBondContact O-NE2 3.46Å; L27-Q41 PolarHBondContact O-OE1 2.97Å; L27-L43 HydrophobicContact CD2-CD1 3.72Å; L27-L43 HydrophobicContact CD2-CG 4.11Å; L27-L43 HydrophobicContact CG-CD1 4.35Å; L27-K53 HydrophobicContact CD1-CG 4.19Å
28S93.7Very high91.2Very high62 Ų6253.9 Ų53.943%0.43430%0.301SS..Hα-helixtrans-65.1-44.2174.9-58.80000111.8S24 D25 L26 V30 K31 C32S24-S28 PolarHBondContact O-N 2.82Å; S24-S28 PolarHBondContact O-OG 3.39Å; D25-S28 WeakPolarHBondContact O-CB 3.25Å; D25-S28 PolarHBondContact O-N 3.47Å; L26-S28 VanDerWaalsContact C-N 3.27Å; L26-S28 PolarHBondContact O-N 3.28Å; S28-V30 VanDerWaalsContact C-N 3.33Å; S28-V30 PolarHBondContact O-N 2.99Å; S28-K31 WeakPolarHBondContact O-CB 3.45Å; S28-K31 PolarHBondContact O-N 3.45Å; S28-C32 PolarHBondContact O-N 2.75Å
29A93.9Very high90.9Very high20 Ų2054.3 Ų54.317%0.16530%0.298CS..Hα-helixtrans-62.6-40.8176.200000112V15 V17 D25 L26 K31 C32 A33V15-A29 HydrophobicContact CB-CB 4.25Å; V15-A29 HydrophobicContact CG1-CB 4.34Å; V17-A29 HydrophobicContact CG1-CB 3.7Å; D25-A29 PolarHBondContact O-N 3.22Å; L26-A29 PolarHBondContact O-N 2.97Å; A29-K31 VanDerWaalsContact C-N 3.34Å; A29-C32 PolarHBondContact O-N 2.66Å; A29-A33 WeakPolarHBondContact O-CB 3.41Å; A29-A33 PolarHBondContact O-N 3.13Å
30V92.8Very high90.8Very high0 Ų052.6 Ų52.60%029%0.285CS..Hα-helixtrans-66-36.9175.2171.10000111.3V5 V15 L26 L27 S28 A33 F34 Q41 L43 L70V5-V30 HydrophobicContact CG1-CG2 4.24Å; V5-V30 HydrophobicContact CG2-CG2 3.98Å; V15-V30 HydrophobicContact CG2-CG2 4.49Å; L26-V30 HydrophobicContact CD1-CG2 4.36Å; L26-V30 WeakPolarHBondContact O-CB 3.43Å; L26-V30 VanDerWaalsContact O-CG2 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.33Å; L26-V30 PolarHBondContact O-N 3.46Å; L27-V30 PolarHBondContact O-N 3.46Å; S28-V30 VanDerWaalsContact C-N 3.33Å; S28-V30 PolarHBondContact O-N 2.99Å; V30-A33 PolarHBondContact O-N 3.46Å; V30-F34 HydrophobicContact CG1-CD2 3.88Å; V30-F34 PolarHBondContact O-N 3.29Å; V30-Q41 VanDerWaalsContact CB-OE1 3.31Å; V30-Q41 HydrophobicContact CG1-CG 4.23Å; V30-Q41 VanDerWaalsContact CG1-OE1 3.22Å; V30-L43 HydrophobicContact CG2-CD1 4.39Å; V30-L43 HydrophobicContact CG2-CD2 4.29Å; V30-L70 HydrophobicContact CG1-CD1 4.13Å; V30-L70 HydrophobicContact CG1-CD2 3.72Å
31K90.3Very high90.8Very high83 Ų8347.2 Ų47.236%0.36126%0.256SS..Hα-helixtrans-57.6-51.5172.6177.7-175.1176.4152.60110.3L27 S28 A29 A33 D35 I36 D37L27-K31 PolarHBondContact O-N 2.95Å; S28-K31 WeakPolarHBondContact O-CB 3.45Å; S28-K31 PolarHBondContact O-N 3.45Å; A29-K31 VanDerWaalsContact C-N 3.34Å; K31-A33 VanDerWaalsContact C-N 3.28Å; K31-A33 PolarHBondContact O-N 3.16Å; K31-D35 WeakPolarHBondContact O-CA 3.36Å; K31-D35 PolarHBondContact O-N 2.71Å; K31-I36 VanDerWaalsContact CA-O 3.27Å; K31-I36 WeakPolarHBondContact CA-O 3.44Å; K31-I36 VanDerWaalsContact CB-O 3.3Å; K31-I36 WeakPolarHBondContact CB-O 3.35Å; K31-I36 WeakPolarHBondContact CG-O 3.37Å; K31-D37 WeakPolarHBondContact CE-OD1 3.33Å; K31-D37 IonicContact NZ-OD1 3.03Å; K31-D37 PolarHBondContact NZ-OD1 2.86Å
32C89.4Confident90.8Very high117 Ų11752.2 Ų52.279%0.79127%0.274SS*.Hα-helixtrans-62.1-35.2178.7-67.10000112.9S28 A29S28-C32 PolarHBondContact O-N 2.75Å; A29-C32 PolarHBondContact O-N 2.66Å
33A89.2Confident90.7Very high26 Ų2647.2 Ų47.222%0.21525%0.254CS..Hα-helixtrans-80.5-33.2-176.900000114.4K13 V15 A29 V30 K31K13-A33 HydrophobicContact CD-CB 4.46Å; K13-A33 PolarHBondContact NZ-O 3.12Å; V15-A33 HydrophobicContact CG1-CB 3.64Å; A29-A33 WeakPolarHBondContact O-CB 3.41Å; A29-A33 PolarHBondContact O-N 3.13Å; V30-A33 PolarHBondContact O-N 3.46Å; K31-A33 VanDerWaalsContact C-N 3.28Å; K31-A33 PolarHBondContact O-N 3.16Å
34F87.2Confident90.7Very high7 Ų748.4 Ų48.43%0.03126%0.262CS..Hα-helixtrans-118.4-7.3-173.3-66.7-83.8000114.8V5 P7 K13 V30 I36 L70V5-F34 HydrophobicContact CB-CE2 4.1Å; V5-F34 HydrophobicContact CG1-CE2 3.88Å; V5-F34 HydrophobicContact CG1-CZ 4.32Å; P7-F34 HydrophobicContact CG-CD1 3.84Å; P7-F34 HydrophobicContact CG-CE1 3.28Å; P7-F34 HydrophobicContact CG-CZ 3.68Å; K13-F34 HydrophobicContact CB-CE1 4.19Å; K13-F34 HydrophobicContact CB-CE2 4.03Å; K13-F34 HydrophobicContact CB-CZ 3.53Å; K13-F34 HydrophobicContact CD-CD1 4.15Å; K13-F34 HydrophobicContact CD-CE1 3.7Å; K13-F34 HydrophobicContact CD-CE2 4.31Å; K13-F34 HydrophobicContact CD-CZ 3.82Å; K13-F34 HydrophobicContact CG-CE1 3.72Å; K13-F34 HydrophobicContact CG-CE2 4.4Å; K13-F34 HydrophobicContact CG-CZ 3.61Å; V30-F34 HydrophobicContact CG1-CD2 3.88Å; V30-F34 PolarHBondContact O-N 3.29Å; F34-I36 HydrophobicContact CB-CD1 3.65Å; F34-I36 HydrophobicContact CB-CG1 4.1Å; F34-L70 HydrophobicContact CD2-CD2 4.26Å; F34-L70 HydrophobicContact CG-CD2 4.38Å
35D85.1Confident90.7Very high127 Ų12747.1 Ų47.168%0.67925%0.252SS*.  trans59.643.5-175.3-159.536.6000113.5K31K31-D35 WeakPolarHBondContact O-CA 3.36Å; K31-D35 PolarHBondContact O-N 2.71Å
36I84.5Confident90.6Very high17 Ų1751.9 Ų51.99%0.08727%0.269CS..  trans-119.3128.4179.4-57.9159.8000107.7K31 F34 Q41 L70 T72K31-I36 VanDerWaalsContact CA-O 3.27Å; K31-I36 WeakPolarHBondContact CA-O 3.44Å; K31-I36 VanDerWaalsContact CB-O 3.3Å; K31-I36 WeakPolarHBondContact CB-O 3.35Å; K31-I36 WeakPolarHBondContact CG-O 3.37Å; F34-I36 HydrophobicContact CB-CD1 3.65Å; F34-I36 HydrophobicContact CB-CG1 4.1Å; I36-Q41 HydrophobicContact CB-CG 4.12Å; I36-Q41 HydrophobicContact CG2-CG 3.69Å; I36-Q41 PolarHBondContact O-NE2 3.36Å; I36-L70 HydrophobicContact CD1-CD2 3.89Å; I36-T72 HydrophobicContact CD1-CG2 3.58Å; I36-T72 HydrophobicContact CG1-CG2 4.49Å; I36-T72 HydrophobicContact CG2-CG2 4.42Å
37D86.3Confident90.3Very high53 Ų5354.9 Ų54.928%0.28330%0.3SS..  trans-69.4144.5179.7-73.7-56.5000112.5K31 E39 Y40 Q41 Q77K31-D37 WeakPolarHBondContact CE-OD1 3.33Å; K31-D37 IonicContact NZ-OD1 3.03Å; K31-D37 PolarHBondContact NZ-OD1 2.86Å; D37-E39 PolarHBondContact O-N 3.21Å; D37-Y40 HydrophobicContact CB-CD2 3.84Å; D37-Y40 HydrophobicContact CB-CE2 4.19Å; D37-Y40 PolarHBondContact O-N 3.33Å; D37-Q41 WeakPolarHBondContact O-CG 3.26Å; D37-Q41 PolarHBondContact O-N 3.45Å; D37-Q77 PolarHBondContact OD2-NE2 3.47Å
38P88.1Confident90.2Very high36 Ų3657.9 Ų57.923%0.23432%0.321CS..THydrogen-bonded Turntrans-50.5-28.5-178.5-32.935.3000115.5L27 Y40 Q41L27-P38 HydrophobicContact CB-CB 4.01Å; L27-P38 HydrophobicContact CB-CG 4.33Å; L27-P38 HydrophobicContact CD1-CB 4.45Å; P38-Y40 VanDerWaalsContact C-N 3.33Å; P38-Q41 PolarHBondContact O-N 3.3Å
39E86.1Confident90.2Very high139 Ų13957.2 Ų57.265%0.6532%0.315SS*.THydrogen-bonded Turntrans-69.1-31.5177.1-173.9175.7175.300113D37D37-E39 PolarHBondContact O-N 3.21Å
40Y86.4Confident90.2Very high69 Ų6956.9 Ų56.927%0.27131%0.311SS..THydrogen-bonded Turntrans-93.9-6.3179.4-52.9-57.2000112.9D37 P38 K73 T75D37-Y40 HydrophobicContact CB-CD2 3.84Å; D37-Y40 HydrophobicContact CB-CE2 4.19Å; D37-Y40 PolarHBondContact O-N 3.33Å; P38-Y40 VanDerWaalsContact C-N 3.33Å; Y40-K73 PolarHBondContact O-N 3.24Å; Y40-T75 HydrophobicContact CD1-CG2 3.95Å; Y40-T75 HydrophobicContact CD2-CG2 3.44Å; Y40-T75 VanDerWaalsContact CD2-CG2 3.44Å; Y40-T75 HydrophobicContact CE1-CG2 4.38Å; Y40-T75 HydrophobicContact CE2-CG2 3.92Å; Y40-T75 HydrophobicContact CG-CG2 3.47Å; Y40-T75 VanDerWaalsContact CG-CG2 3.47Å
41Q91Very high90Very high11 Ų1162.4 Ų62.45%0.05134%0.34CS..EExtended strand (participates in β ladder)trans-86.3138.2174.6-63.7176.93300111.1L27 V30 I36 D37 P38 L70L27-Q41 HydrophobicContact CD2-CB 3.75Å; L27-Q41 VanDerWaalsContact CD2-OE1 3.26Å; L27-Q41 PolarHBondContact O-NE2 3.46Å; L27-Q41 PolarHBondContact O-OE1 2.97Å; V30-Q41 VanDerWaalsContact CB-OE1 3.31Å; V30-Q41 HydrophobicContact CG1-CG 4.23Å; V30-Q41 VanDerWaalsContact CG1-OE1 3.22Å; I36-Q41 HydrophobicContact CB-CG 4.12Å; I36-Q41 HydrophobicContact CG2-CG 3.69Å; I36-Q41 PolarHBondContact O-NE2 3.36Å; D37-Q41 WeakPolarHBondContact O-CG 3.26Å; D37-Q41 PolarHBondContact O-N 3.45Å; P38-Q41 PolarHBondContact O-N 3.3Å; Q41-L70 HydrophobicContact CB-CD1 3.97Å; Q41-L70 HydrophobicContact CG-CD1 4.15Å
42R92.5Very high90.1Very high107 Ų10762.1 Ų62.140%0.40434%0.342SS..EExtended strand (participates in β ladder)trans-136.1100.5168.5-160.5178.8-160.61783.2109.1L71R42-L71 HydrophobicContact CB-CB 4.19Å; R42-L71 PolarHBondContact N-O 3.39Å; R42-L71 WeakPolarHBondContact O-CB 3.47Å; R42-L71 PolarHBondContact O-N 3.48Å
43L94.4Very high90.1Very high1 Ų161.8 Ų61.81%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-83137.5179.5-67.9170000110.5V5 L26 L27 V30 P49 L50 T69 L70V5-L43 HydrophobicContact CG1-CD2 4.18Å; L26-L43 HydrophobicContact CB-CD1 4.45Å; L26-L43 HydrophobicContact CD2-CD1 3.74Å; L26-L43 HydrophobicContact CG-CD1 3.68Å; L27-L43 HydrophobicContact CD2-CD1 3.72Å; L27-L43 HydrophobicContact CD2-CG 4.11Å; L27-L43 HydrophobicContact CG-CD1 4.35Å; V30-L43 HydrophobicContact CG2-CD1 4.39Å; V30-L43 HydrophobicContact CG2-CD2 4.29Å; L43-P49 WeakPolarHBondContact O-CA 3.49Å; L43-L50 HydrophobicContact CB-CB 4.29Å; L43-L50 HydrophobicContact CB-CD1 3.83Å; L43-L50 HydrophobicContact CB-CG 4.29Å; L43-L50 HydrophobicContact CD1-CD1 4.4Å; L43-L50 PolarHBondContact O-N 2.88Å; L43-T69 WeakPolarHBondContact CA-O 3.47Å; L43-L70 HydrophobicContact CD2-CB 4.12Å; L43-L70 HydrophobicContact CD2-CD1 3.82Å; L43-L70 HydrophobicContact CG-CD1 4.38Å
44V95Very high90.3Very high26 Ų2666.5 Ų66.516%0.15835%0.349CS..EExtended strand (participates in β ladder)trans-128.8128.2179.5-176.40000109.1C48 P49 T69 L71V44-C48 WeakPolarHBondContact CA-O 3.35Å; V44-P49 HydrophobicContact CG2-CB 4.37Å; V44-T69 PolarHBondContact N-O 3.47Å; V44-T69 PolarHBondContact O-N 3.37Å; V44-L71 HydrophobicContact CG2-CD1 3.79Å; V44-L71 HydrophobicContact CG2-CG 4.21Å
45F94.9Very high90.6Very high11 Ų1169.3 Ų69.35%0.04836%0.361CS..EExtended strand (participates in β ladder)trans-121.5122.4175.2179.6-118000109.6G47 C48 I62 D66 L68F45-G47 PolarHBondContact O-N 2.86Å; F45-G47 VanDerWaalsContact O-N 3.11Å; F45-C48 PolarHBondContact N-O 3.46Å; F45-C48 WeakPolarHBondContact O-CA 3.46Å; F45-C48 WeakPolarHBondContact O-CB 3.33Å; F45-C48 PolarHBondContact O-N 3.27Å; F45-I62 HydrophobicContact CB-CD1 4.29Å; F45-I62 HydrophobicContact CB-CG1 4.33Å; F45-I62 HydrophobicContact CD1-CD1 4.27Å; F45-I62 HydrophobicContact CD1-CG1 3.49Å; F45-I62 VanDerWaalsContact CD1-CG1 3.49Å; F45-I62 HydrophobicContact CD2-CG1 4.27Å; F45-I62 HydrophobicContact CE1-CG1 3.68Å; F45-I62 HydrophobicContact CE2-CG1 4.45Å; F45-I62 HydrophobicContact CG-CD1 4.27Å; F45-I62 HydrophobicContact CG-CG1 3.78Å; F45-I62 HydrophobicContact CZ-CG1 4.16Å; F45-D66 HydrophobicContact CE2-CB 3.8Å; F45-D66 HydrophobicContact CZ-CB 4.25Å; F45-D66 VanDerWaalsContact CZ-OD2 3.32Å; F45-D66 WeakPolarHBondContact CZ-OD2 3.16Å; F45-L68 HydrophobicContact CB-CD2 4.18Å; F45-L68 HydrophobicContact CB-CG 4.44Å; F45-L68 HydrophobicContact CD2-CG 4.28Å
46K91.5Very high91.1Very high167 Ų16764.8 Ų64.873%0.72634%0.339SS*.THydrogen-bonded Turntrans49.537.7-179.7-63.2177.8178.5166.70114.3C48K46-C48 VanDerWaalsContact C-N 3.25Å; K46-C48 PolarHBondContact O-N 3.48Å
47G89.9Confident91.5Very high64 Ų6464 Ų6466%0.6633%0.334SS*.THydrogen-bonded Turntrans81.7-6.7-177.200000114.9F45 P49F45-G47 PolarHBondContact O-N 2.86Å; F45-G47 VanDerWaalsContact O-N 3.11Å; G47-P49 WeakPolarHBondContact O-CD 3.47Å
48C91.8Very high91.8Very high73 Ų7365.9 Ų65.949%0.49334%0.344SS..EExtended strand (participates in β ladder)trans-93.5117.1175.6-63.30000110.9V44 F45 K46V44-C48 WeakPolarHBondContact CA-O 3.35Å; F45-C48 PolarHBondContact N-O 3.46Å; F45-C48 WeakPolarHBondContact O-CA 3.46Å; F45-C48 WeakPolarHBondContact O-CB 3.33Å; F45-C48 PolarHBondContact O-N 3.27Å; K46-C48 VanDerWaalsContact C-N 3.25Å; K46-C48 PolarHBondContact O-N 3.48Å
49P93.3Very high92Very high48 Ų4869.2 Ų69.231%0.31236%0.36SS..EExtended strand (participates in β ladder)trans-71.3136173.428.5-32.6000111.2L43 V44 G47 L51L43-P49 WeakPolarHBondContact O-CA 3.49Å; V44-P49 HydrophobicContact CG2-CB 4.37Å; G47-P49 WeakPolarHBondContact O-CD 3.47Å; P49-L51 HydrophobicContact CB-CD2 4.16Å; P49-L51 HydrophobicContact CB-CG 4.13Å; P49-L51 HydrophobicContact CG-CD1 4.24Å; P49-L51 HydrophobicContact CG-CD2 4.45Å; P49-L51 HydrophobicContact CG-CG 4.13Å; P49-L51 PolarHBondContact O-N 3Å; P49-L51 VanDerWaalsContact O-N 3.08Å
50L93.8Very high92.2Very high12 Ų1264.9 Ų64.96%0.06334%0.338CS..  trans-8084.7174-59.6-179.7000109.3V23 L26 L43 L57 Y60 I62 L68V23-L50 HydrophobicContact CG1-CB 3.91Å; V23-L50 HydrophobicContact CG2-CB 4.15Å; V23-L50 HydrophobicContact CG2-CD1 4.4Å; V23-L50 HydrophobicContact CG2-CD2 4.34Å; L26-L50 HydrophobicContact CD2-CD1 4.24Å; L43-L50 HydrophobicContact CB-CB 4.29Å; L43-L50 HydrophobicContact CB-CD1 3.83Å; L43-L50 HydrophobicContact CB-CG 4.29Å; L43-L50 HydrophobicContact CD1-CD1 4.4Å; L43-L50 PolarHBondContact O-N 2.88Å; L50-L57 HydrophobicContact CD1-CD2 4.2Å; L50-Y60 HydrophobicContact CD2-CD1 3.46Å; L50-Y60 VanDerWaalsContact CD2-CD1 3.46Å; L50-Y60 HydrophobicContact CD2-CD2 3.51Å; L50-Y60 HydrophobicContact CD2-CE1 3.67Å; L50-Y60 HydrophobicContact CD2-CE2 3.69Å; L50-Y60 HydrophobicContact CD2-CG 3.36Å; L50-I62 HydrophobicContact CD1-CD1 3.92Å; L50-I62 HydrophobicContact CD2-CD1 3.97Å; L50-L68 HydrophobicContact CD1-CD2 3.69Å
51L89.6Confident92.5Very high117 Ų11763.4 Ų63.461%0.61334%0.344SS*.  trans-87.8-30.6-175.5-64.7176.5000113.7P49P49-L51 HydrophobicContact CB-CD2 4.16Å; P49-L51 HydrophobicContact CB-CG 4.13Å; P49-L51 HydrophobicContact CG-CD1 4.24Å; P49-L51 HydrophobicContact CG-CD2 4.45Å; P49-L51 HydrophobicContact CG-CG 4.13Å; P49-L51 PolarHBondContact O-N 3Å; P49-L51 VanDerWaalsContact O-N 3.08Å
52D92.3Very high92.6Very high77 Ų7762.9 Ų62.941%0.41234%0.341SS..  trans-95.4112.9-174.1-170.8-12.3000109.8V23 D54 K55V23-D52 VanDerWaalsContact CB-O 3.24Å; V23-D52 WeakPolarHBondContact CB-O 3.43Å; V23-D52 WeakPolarHBondContact CG2-O 3.47Å; D52-D54 VanDerWaalsContact C-N 3.33Å; D52-D54 PolarHBondContact OD1-N 3.39Å; D52-K55 HydrophobicContact CB-CB 3.82Å; D52-K55 HydrophobicContact CB-CD 4.42Å
53K89.9Confident92.7Very high109 Ų10964.7 Ų64.747%0.47435%0.352SS..THydrogen-bonded Turntrans-71.7-30.1-175.5-67.3-177.4-178.4177.60112.3S24 L27 K55S24-K53 WeakPolarHBondContact CB-O 3.43Å; S24-K53 PolarHBondContact N-O 3.36Å; S24-K53 PolarHBondContact OG-O 3.19Å; L27-K53 HydrophobicContact CD1-CG 4.19Å; K53-K55 VanDerWaalsContact C-N 3.29Å
54D93Very high92.6Very high126 Ų12669.6 Ų69.667%0.67438%0.378SS*.THydrogen-bonded Turntrans-94.16.7-175.3-55.8-44.1000111.7Y22 D52Y22-D54 WeakPolarHBondContact CD1-O 3.31Å; Y22-D54 VanDerWaalsContact CE1-O 3.27Å; Y22-D54 WeakPolarHBondContact CE1-O 3.27Å; D52-D54 VanDerWaalsContact C-N 3.33Å; D52-D54 PolarHBondContact OD1-N 3.39Å
55K93.8Very high92.6Very high66 Ų6670.8 Ų70.829%0.28740%0.396SS..SBendtrans-88.8132.7175.6-171.6162.6173.5-176.60111V23 D52 K53 N59 Y60V23-K55 WeakPolarHBondContact CG2-O 3.15Å; V23-K55 PolarHBondContact N-O 3.32Å; V23-K55 VanDerWaalsContact N-O 3.08Å; D52-K55 HydrophobicContact CB-CB 3.82Å; D52-K55 HydrophobicContact CB-CD 4.42Å; K53-K55 VanDerWaalsContact C-N 3.29Å; K55-N59 HydrophobicContact CD-CB 4.3Å; K55-N59 HydrophobicContact CG-CB 3.91Å; K55-Y60 HydrophobicContact CB-CE2 3.87Å; K55-Y60 HydrophobicContact CD-CD2 4.21Å; K55-Y60 HydrophobicContact CD-CE2 3.48Å; K55-Y60 VanDerWaalsContact CD-CE2 3.48Å; K55-Y60 HydrophobicContact CG-CD2 4.16Å; K55-Y60 HydrophobicContact CG-CE2 3.59Å
56P94.3Very high92.6Very high32 Ų3272 Ų7221%0.20840%0.403CS..BIsolated β-bridgetrans-60.5143.3172.6-21.530.6000111.6Y22 L58 N59Y22-P56 HydrophobicContact CD1-CG 4.38Å; Y22-P56 HydrophobicContact CE1-CG 3.99Å; P56-L58 PolarHBondContact O-N 3.12Å; P56-N59 WeakPolarHBondContact O-CB 3.45Å; P56-N59 PolarHBondContact O-N 3.01Å
57L93.7Very high92.8Very high0 Ų070.2 Ų70.20%039%0.391CS..G310 helixtrans-63.1-32.9177.3-66.5167000111.9M1 V17 A21 V23 L26 L50 N59 Y60 I62M1-L57 HydrophobicContact CE-CB 3.8Å; M1-L57 HydrophobicContact CE-CD1 3.12Å; M1-L57 HydrophobicContact CE-CG 4.06Å; V17-L57 HydrophobicContact CG2-CD1 4.26Å; A21-L57 HydrophobicContact CB-CD1 3.81Å; A21-L57 WeakPolarHBondContact O-CB 3.18Å; A21-L57 VanDerWaalsContact O-CG 3.31Å; A21-L57 WeakPolarHBondContact O-CG 3.45Å; A21-L57 PolarHBondContact O-N 3.4Å; V23-L57 HydrophobicContact CB-CD2 4.48Å; V23-L57 HydrophobicContact CG2-CD2 3.81Å; L26-L57 HydrophobicContact CB-CD1 3.95Å; L26-L57 HydrophobicContact CB-CD2 4.28Å; L26-L57 HydrophobicContact CD2-CD1 4.24Å; L26-L57 HydrophobicContact CD2-CD2 3.77Å; L50-L57 HydrophobicContact CD1-CD2 4.2Å; L57-N59 PolarHBondContact O-N 2.92Å; L57-Y60 WeakPolarHBondContact O-CB 3.43Å; L57-Y60 PolarHBondContact O-N 3.01Å; L57-I62 HydrophobicContact CB-CB 4.33Å; L57-I62 HydrophobicContact CB-CD1 4.39Å; L57-I62 HydrophobicContact CD2-CD1 3.8Å; L57-I62 PolarHBondContact O-N 2.91Å
58L92.1Very high93Very high92 Ų9267.2 Ų67.248%0.48236%0.361SS..G310 helixtrans-56.8-33.6173-69.1166.5000112.6P56 Y60 G61P56-L58 PolarHBondContact O-N 3.12Å; L58-Y60 PolarHBondContact O-N 3.03Å; L58-G61 WeakPolarHBondContact O-CA 3.35Å; L58-G61 PolarHBondContact O-N 2.85Å
59N92.2Very high93.2Very high106 Ų10666.6 Ų66.657%0.56735%0.354SS*.G310 helixtrans-71.8-13.9178.4-70.56000113K55 P56 L57K55-N59 HydrophobicContact CD-CB 4.3Å; K55-N59 HydrophobicContact CG-CB 3.91Å; P56-N59 WeakPolarHBondContact O-CB 3.45Å; P56-N59 PolarHBondContact O-N 3.01Å; L57-N59 PolarHBondContact O-N 2.92Å
60Y91.7Very high93.2Very high49 Ų4964.3 Ų64.319%0.19234%0.34CS..G310 helixtrans-94.41.1169.3-70.9-83.8000112.5V23 L50 K55 L57 L58 I62V23-Y60 HydrophobicContact CG2-CD2 4.21Å; V23-Y60 HydrophobicContact CG2-CE2 3.76Å; L50-Y60 HydrophobicContact CD2-CD1 3.46Å; L50-Y60 VanDerWaalsContact CD2-CD1 3.46Å; L50-Y60 HydrophobicContact CD2-CD2 3.51Å; L50-Y60 HydrophobicContact CD2-CE1 3.67Å; L50-Y60 HydrophobicContact CD2-CE2 3.69Å; L50-Y60 HydrophobicContact CD2-CG 3.36Å; K55-Y60 HydrophobicContact CB-CE2 3.87Å; K55-Y60 HydrophobicContact CD-CD2 4.21Å; K55-Y60 HydrophobicContact CD-CE2 3.48Å; K55-Y60 VanDerWaalsContact CD-CE2 3.48Å; K55-Y60 HydrophobicContact CG-CD2 4.16Å; K55-Y60 HydrophobicContact CG-CE2 3.59Å; L57-Y60 WeakPolarHBondContact O-CB 3.43Å; L57-Y60 PolarHBondContact O-N 3.01Å; L58-Y60 PolarHBondContact O-N 3.03Å; Y60-I62 VanDerWaalsContact C-N 3.27Å; Y60-I62 PolarHBondContact O-N 3.23Å
61G91.8Very high93.1Very high38 Ų3866.6 Ų66.639%0.39235%0.351SS..THydrogen-bonded Turntrans70.722-176.400000113.6L58L58-G61 WeakPolarHBondContact O-CA 3.35Å; L58-G61 PolarHBondContact O-N 2.85Å
62I93.7Very high92.9Very high0 Ų063.7 Ų63.70%034%0.339CS..  trans-78.3131.8176.3-62.4166000108.6M1 L3 F45 L50 L57 Y60 D66 L68M1-I62 HydrophobicContact CE-CG2 4.47Å; L3-I62 HydrophobicContact CD1-CG2 3.97Å; L3-I62 HydrophobicContact CD2-CG2 3.6Å; L3-I62 HydrophobicContact CG-CG2 4.46Å; F45-I62 HydrophobicContact CB-CD1 4.29Å; F45-I62 HydrophobicContact CB-CG1 4.33Å; F45-I62 HydrophobicContact CD1-CD1 4.27Å; F45-I62 HydrophobicContact CD1-CG1 3.49Å; F45-I62 VanDerWaalsContact CD1-CG1 3.49Å; F45-I62 HydrophobicContact CD2-CG1 4.27Å; F45-I62 HydrophobicContact CE1-CG1 3.68Å; F45-I62 HydrophobicContact CE2-CG1 4.45Å; F45-I62 HydrophobicContact CG-CD1 4.27Å; F45-I62 HydrophobicContact CG-CG1 3.78Å; F45-I62 HydrophobicContact CZ-CG1 4.16Å; L50-I62 HydrophobicContact CD1-CD1 3.92Å; L50-I62 HydrophobicContact CD2-CD1 3.97Å; L57-I62 HydrophobicContact CB-CB 4.33Å; L57-I62 HydrophobicContact CB-CD1 4.39Å; L57-I62 HydrophobicContact CD2-CD1 3.8Å; L57-I62 PolarHBondContact O-N 2.91Å; Y60-I62 VanDerWaalsContact C-N 3.27Å; Y60-I62 PolarHBondContact O-N 3.23Å; I62-D66 HydrophobicContact CG2-CB 4.33Å; I62-L68 HydrophobicContact CD1-CD2 4.07Å
63K93.1Very high92.2Very high145 Ų14565.4 Ų65.463%0.6334%0.342SS*.  trans-127.1169.2-179.7-61.9-176.6-178.1-176.80111.2L3 G65 D66L3-K63 WeakPolarHBondContact CD2-O 3.4Å; K63-G65 PolarHBondContact O-N 3.42Å; K63-D66 PolarHBondContact N-OD2 3.29Å; K63-D66 VanDerWaalsContact O-CB 3.31Å; K63-D66 WeakPolarHBondContact O-CB 3.3Å; K63-D66 PolarHBondContact O-N 2.71Å; K63-D66 VanDerWaalsContact O-N 3.13Å
64D93.9Very high90.9Very high104 Ų10468.2 Ų68.256%0.55636%0.361SS*.THydrogen-bonded Turntrans-53.2132.8170.3-167.965.7000111.7M1 Q2 D66M1-D64 VanDerWaalsContact C-OD1 3.29Å; M1-D64 WeakPolarHBondContact CA-OD1 3.49Å; M1-D64 HydrophobicContact CB-CB 4.01Å; M1-D64 WeakPolarHBondContact CB-OD1 3.27Å; Q2-D64 PolarHBondContact N-OD1 2.78Å; D64-D66 VanDerWaalsContact C-N 3.34Å
65G93.4Very high89Confident51 Ų5164.1 Ų64.153%0.52634%0.341SS..THydrogen-bonded Turntrans85-5-177.400000115.4Q2 K63Q2-G65 WeakPolarHBondContact O-CA 3.1Å; Q2-G65 PolarHBondContact O-N 2.73Å; K63-G65 PolarHBondContact O-N 3.42Å
66D95.5Very high86.8Confident37 Ų3766.2 Ų66.220%0.19836%0.361CS..  trans-67.3152179.9-88.6-36.7000113.1L3 T4 F45 I62 K63 D64L3-D66 HydrophobicContact CD2-CB 4.07Å; T4-D66 PolarHBondContact N-O 3.15Å; F45-D66 HydrophobicContact CE2-CB 3.8Å; F45-D66 HydrophobicContact CZ-CB 4.25Å; F45-D66 VanDerWaalsContact CZ-OD2 3.32Å; F45-D66 WeakPolarHBondContact CZ-OD2 3.16Å; I62-D66 HydrophobicContact CG2-CB 4.33Å; K63-D66 PolarHBondContact N-OD2 3.29Å; K63-D66 VanDerWaalsContact O-CB 3.31Å; K63-D66 WeakPolarHBondContact O-CB 3.3Å; K63-D66 PolarHBondContact O-N 2.71Å; K63-D66 VanDerWaalsContact O-N 3.13Å; D64-D66 VanDerWaalsContact C-N 3.34Å
67R95Very high84.6Confident128 Ų12868 Ų6848%0.48337%0.367SS..EExtended strand (participates in β ladder)trans-103.6129.2176.6-83.1169.572.210910.3111.5T4 E12T4-R67 HydrophobicContact CG2-CG 3.85Å; T4-R67 CarbonylContact O-C 3.44Å; T4-R67 VanDerWaalsContact O-CA 3.3Å; T4-R67 WeakPolarHBondContact O-CA 3.26Å; E12-R67 VanDerWaalsContact CD-NH1 3.32Å; E12-R67 IonicContact OE1-CZ 3.06Å; E12-R67 IonicContact OE1-NH1 3.77Å; E12-R67 PolarHBondContact OE1-NH1 3.3Å; E12-R67 IonicContact OE1-NH2 2.73Å; E12-R67 IonicContact OE2-CZ 2.78Å; E12-R67 IonicContact OE2-NH1 3.19Å; E12-R67 PolarHBondContact OE2-NH1 3.38Å; E12-R67 IonicContact OE2-NH2 2.67Å; E12-R67 PolarHBondContact OE2-NH2 3.07Å
68L95.8Very high82.3Confident2 Ų278.6 Ų78.61%0.0141%0.407CS..EExtended strand (participates in β ladder)trans-116.1147.8174-61.697.9000111.3L3 T4 V5 K6 L26 F45 L50 I62L3-L68 HydrophobicContact CB-CD1 3.85Å; L3-L68 HydrophobicContact CD1-CD1 3.88Å; L3-L68 HydrophobicContact CD2-CD1 4.14Å; L3-L68 HydrophobicContact CG-CD1 4.19Å; T4-L68 PolarHBondContact O-N 2.83Å; V5-L68 WeakPolarHBondContact CA-O 3.49Å; V5-L68 HydrophobicContact CG2-CB 4.46Å; K6-L68 PolarHBondContact N-O 3.12Å; L26-L68 HydrophobicContact CD2-CD1 4.48Å; L26-L68 HydrophobicContact CD2-CD2 3.83Å; F45-L68 HydrophobicContact CB-CD2 4.18Å; F45-L68 HydrophobicContact CB-CG 4.44Å; F45-L68 HydrophobicContact CD2-CG 4.28Å; L50-L68 HydrophobicContact CD1-CD2 3.69Å; I62-L68 HydrophobicContact CD1-CD2 4.07Å
69T95.6Very high80.4Confident59 Ų5977.3 Ų77.336%0.36241%0.405SS..EExtended strand (participates in β ladder)trans-96127.4171.9-56.70000109.4K6 L8 L43 V44 L71K6-T69 WeakPolarHBondContact O-CA 3.38Å; L8-T69 HydrophobicContact CD2-CG2 4.26Å; L43-T69 WeakPolarHBondContact CA-O 3.47Å; V44-T69 PolarHBondContact N-O 3.47Å; V44-T69 PolarHBondContact O-N 3.37Å; T69-L71 HydrophobicContact CG2-CD2 4.13Å
70L94Very high79.2Confident1 Ų177.1 Ų77.11%0.00540%0.404CS..EExtended strand (participates in β ladder)trans-95.8115.8171.8175.463.9000109.7V5 K6 P7 V30 F34 I36 Q41 L43 T72V5-L70 HydrophobicContact CG1-CB 3.66Å; V5-L70 HydrophobicContact CG1-CD2 4.35Å; K6-L70 PolarHBondContact O-N 2.92Å; P7-L70 WeakPolarHBondContact CA-O 3.41Å; P7-L70 HydrophobicContact CB-CD2 4.49Å; P7-L70 HydrophobicContact CG-CD2 4.26Å; V30-L70 HydrophobicContact CG1-CD1 4.13Å; V30-L70 HydrophobicContact CG1-CD2 3.72Å; F34-L70 HydrophobicContact CD2-CD2 4.26Å; F34-L70 HydrophobicContact CG-CD2 4.38Å; I36-L70 HydrophobicContact CD1-CD2 3.89Å; Q41-L70 HydrophobicContact CB-CD1 3.97Å; Q41-L70 HydrophobicContact CG-CD1 4.15Å; L43-L70 HydrophobicContact CD2-CB 4.12Å; L43-L70 HydrophobicContact CD2-CD1 3.82Å; L43-L70 HydrophobicContact CG-CD1 4.38Å; L70-T72 HydrophobicContact CG-CG2 4.44Å
71L91.1Very high78.4Confident59 Ų5979.5 Ų79.531%0.30942%0.416SS..EExtended strand (participates in β ladder)trans-96.9127.2166.3-54177.8000108.2L8 R42 V44 T69L8-L71 HydrophobicContact CD1-CD2 3.37Å; L8-L71 HydrophobicContact CD2-CD2 4.34Å; L8-L71 HydrophobicContact CG-CD2 3.77Å; R42-L71 HydrophobicContact CB-CB 4.19Å; R42-L71 PolarHBondContact N-O 3.39Å; R42-L71 WeakPolarHBondContact O-CB 3.47Å; R42-L71 PolarHBondContact O-N 3.48Å; V44-L71 HydrophobicContact CG2-CD1 3.79Å; V44-L71 HydrophobicContact CG2-CG 4.21Å; T69-L71 HydrophobicContact CG2-CD2 4.13Å
72T84.8Confident77.9Confident57 Ų5780.2 Ų80.235%0.3541%0.409SS..EExtended strand (participates in β ladder)trans-94.1120.7171.549.80000108.5I36 L70I36-T72 HydrophobicContact CD1-CG2 3.58Å; I36-T72 HydrophobicContact CG1-CG2 4.49Å; I36-T72 HydrophobicContact CG2-CG2 4.42Å; L70-T72 HydrophobicContact CG-CG2 4.44Å
73K78.6Confident77.2Confident112 Ų11283.1 Ų83.149%0.48743%0.429SS..PPolyproline II helixtrans-63.9137.7163.2-70.4179.7-179.2171.70107Y40 T75Y40-K73 PolarHBondContact O-N 3.24Å; K73-T75 PolarHBondContact O-N 2.9Å; K73-T75 PolarHBondContact O-OG1 3.41Å
74I62.4Low76.7Confident168 Ų16880.7 Ų80.786%0.86242%0.423SS*.  trans-50.5106.5-177.6-61.8166.5000107.6
75T52.3Low76.3Confident40 Ų4077.2 Ų77.225%0.24540%0.404CS..  trans-81.4134175.3-0.80000107Y40 K73 Q77Y40-T75 HydrophobicContact CD1-CG2 3.95Å; Y40-T75 HydrophobicContact CD2-CG2 3.44Å; Y40-T75 VanDerWaalsContact CD2-CG2 3.44Å; Y40-T75 HydrophobicContact CE1-CG2 4.38Å; Y40-T75 HydrophobicContact CE2-CG2 3.92Å; Y40-T75 HydrophobicContact CG-CG2 3.47Å; Y40-T75 VanDerWaalsContact CG-CG2 3.47Å; K73-T75 PolarHBondContact O-N 2.9Å; K73-T75 PolarHBondContact O-OG1 3.41Å; T75-Q77 VanDerWaalsContact CB-N 3.29Å; T75-Q77 HydrophobicContact CG2-CB 3.45Å; T75-Q77 VanDerWaalsContact CG2-CB 3.45Å; T75-Q77 HydrophobicContact CG2-CG 3.46Å; T75-Q77 VanDerWaalsContact CG2-CG 3.46Å; T75-Q77 PolarHBondContact O-N 3.5Å
76P48.6Very low75.9Confident111 Ų11178.6 Ų78.672%0.72139%0.393SS*.  trans-73.518.2148.132.2-29.8000111.1R78P76-R78 CarbonylContact O-C 3.59Å; P76-R78 PolarHBondContact O-N 2.95Å
77Q47.7Very low75.4Confident70 Ų7083.7 Ų83.733%0.32741%0.414SS..  trans-68.366.3167.8-84.2-178.9-22.900110.9D37 T75D37-Q77 PolarHBondContact OD2-NE2 3.47Å; T75-Q77 VanDerWaalsContact CB-N 3.29Å; T75-Q77 HydrophobicContact CG2-CB 3.45Å; T75-Q77 VanDerWaalsContact CG2-CB 3.45Å; T75-Q77 HydrophobicContact CG2-CG 3.46Å; T75-Q77 VanDerWaalsContact CG2-CG 3.46Å; T75-Q77 PolarHBondContact O-N 3.5Å
78R45.3Very low75Confident222 Ų22284.3 Ų84.384%0.83842%0.417SS*.SBend-79.1123.4108-77178.4163.4144.9-3.4103P76 D80P76-R78 CarbonylContact O-C 3.59Å; P76-R78 PolarHBondContact O-N 2.95Å; R78-D80 WeakPolarHBondContact O-CA 3.45Å; R78-D80 PolarHBondContact O-N 2.77Å
79S52.7Low74.7Confident65 Ų6584.9 Ų84.946%0.45542%0.42SS..  trans-47.1107.5158.9-40.40000104.1F81 L84S79-F81 PolarHBondContact O-N 3.49Å; S79-F81 VanDerWaalsContact O-N 3.13Å; S79-L84 VanDerWaalsContact CB-CG 3.46Å
80D66.2Low74.2Confident102 Ų10284.8 Ų84.855%0.54543%0.426SS..  trans-54.1135-166.9-157.3-13000104.7R78 E82 S83 L84R78-D80 WeakPolarHBondContact O-CA 3.45Å; R78-D80 PolarHBondContact O-N 2.77Å; D80-E82 HydrophobicContact CB-CB 4.43Å; D80-E82 CarbonylContact O-C 3.08Å; D80-E82 PolarHBondContact O-N 3.23Å; D80-S83 WeakPolarHBondContact O-CA 3.43Å; D80-S83 WeakPolarHBondContact O-CB 3.5Å; D80-S83 PolarHBondContact O-N 2.95Å; D80-L84 PolarHBondContact O-N 3.11Å; D80-L84 VanDerWaalsContact O-N 3.12Å
81F75.9Confident73.9Confident99 Ų9990.5 Ų90.543%0.43445%0.452SS..Hα-helixtrans-51.4-32.5-170.9163.7-89.1000109.9S79 L84 L85 F105 L106S79-F81 PolarHBondContact O-N 3.49Å; S79-F81 VanDerWaalsContact O-N 3.13Å; F81-L84 PolarHBondContact O-N 3.3Å; F81-L85 HydrophobicContact CE1-CB 4.28Å; F81-L85 HydrophobicContact CE1-CD2 3.81Å; F81-L85 HydrophobicContact CZ-CB 4.36Å; F81-L85 HydrophobicContact CZ-CD2 4.08Å; F81-L85 VanDerWaalsContact O-CB 3.25Å; F81-L85 WeakPolarHBondContact O-CB 3.41Å; F81-L85 PolarHBondContact O-N 3.42Å; F81-F105 HydrophobicContact CD1-CE1 4.38Å; F81-F105 AromaticContact CE1-CD1 3.66Å; F81-F105 HydrophobicContact CE1-CD1 3.66Å; F81-F105 AromaticContact CE1-CE1 3.23Å; F81-F105 HydrophobicContact CE1-CE1 3.23Å; F81-F105 HydrophobicContact CE1-CZ 4.18Å; F81-F105 HydrophobicContact CZ-CD1 4.17Å; F81-F105 AromaticContact CZ-CE1 3.45Å; F81-F105 HydrophobicContact CZ-CE1 3.45Å; F81-F105 VanDerWaalsContact CZ-CE1 3.45Å; F81-F105 AromaticContact CZ-CZ 3.96Å; F81-F105 HydrophobicContact CZ-CZ 3.96Å; F81-L106 HydrophobicContact CD1-CD2 4.08Å; F81-L106 HydrophobicContact CE1-CD2 4.35Å
82E81Confident73.8Confident52 Ų5293.3 Ų93.324%0.24346%0.462CS..Hα-helixtrans-49.5-51.7166.5-160.6175.3153.400114.8D80 L85 R86 V102 L106D80-E82 HydrophobicContact CB-CB 4.43Å; D80-E82 CarbonylContact O-C 3.08Å; D80-E82 PolarHBondContact O-N 3.23Å; E82-L85 PolarHBondContact O-N 3.46Å; E82-R86 WeakPolarHBondContact O-CB 2.99Å; E82-R86 WeakPolarHBondContact O-CG 3.48Å; E82-R86 PolarHBondContact O-N 3.27Å; E82-R86 IonicContact OE1-CZ 3.32Å; E82-R86 IonicContact OE1-NH1 2.71Å; E82-R86 PolarHBondContact OE1-NH1 3.11Å; E82-R86 IonicContact OE1-NH2 3.23Å; E82-R86 PolarHBondContact OE1-NH2 3.33Å; E82-V102 HydrophobicContact CB-CG1 4.31Å; E82-V102 HydrophobicContact CG-CG1 3.24Å; E82-L106 HydrophobicContact CB-CD1 4Å; E82-L106 HydrophobicContact CG-CD1 3.59Å; E82-L106 WeakPolarHBondContact OE2-CD1 3.5Å
83S78.5Confident73.9Confident61 Ų6194.4 Ų94.443%0.42747%0.465SS..Hα-helixtrans-66.2-40.4178.8-59.10000112.5D80 K87D80-S83 WeakPolarHBondContact O-CA 3.43Å; D80-S83 WeakPolarHBondContact O-CB 3.5Å; D80-S83 PolarHBondContact O-N 2.95Å; S83-K87 WeakPolarHBondContact O-CB 3.35Å; S83-K87 PolarHBondContact O-N 3.03Å
84L82.5Confident73.9Confident94 Ų9493.8 Ų93.849%0.49247%0.473SS..Hα-helixtrans-65.4-45.6174.8-75.8170.8000111.3S79 D80 F81 K87 Y88S79-L84 VanDerWaalsContact CB-CG 3.46Å; D80-L84 PolarHBondContact O-N 3.11Å; D80-L84 VanDerWaalsContact O-N 3.12Å; F81-L84 PolarHBondContact O-N 3.3Å; L84-K87 PolarHBondContact O-N 3.03Å; L84-Y88 WeakPolarHBondContact O-CB 3.04Å; L84-Y88 PolarHBondContact O-N 3.32Å
85L85.5Confident74.9Confident32 Ų3294.4 Ų94.417%0.16847%0.472CS..Hα-helixtrans-63.3-44.2178.6-175.164000110.9F81 E82 K87 Y88 L89 V102 F105F81-L85 HydrophobicContact CE1-CB 4.28Å; F81-L85 HydrophobicContact CE1-CD2 3.81Å; F81-L85 HydrophobicContact CZ-CB 4.36Å; F81-L85 HydrophobicContact CZ-CD2 4.08Å; F81-L85 VanDerWaalsContact O-CB 3.25Å; F81-L85 WeakPolarHBondContact O-CB 3.41Å; F81-L85 PolarHBondContact O-N 3.42Å; E82-L85 PolarHBondContact O-N 3.46Å; L85-K87 PolarHBondContact O-N 2.95Å; L85-Y88 PolarHBondContact O-N 3.12Å; L85-L89 HydrophobicContact CD1-CD1 4.26Å; L85-L89 HydrophobicContact CD1-CG 4.36Å; L85-L89 HydrophobicContact CG-CD1 3.95Å; L85-L89 HydrophobicContact CG-CG 4.47Å; L85-L89 WeakPolarHBondContact O-CB 3.48Å; L85-L89 VanDerWaalsContact O-CG 3.26Å; L85-L89 WeakPolarHBondContact O-CG 3.27Å; L85-L89 PolarHBondContact O-N 2.65Å; L85-V102 HydrophobicContact CB-CG2 4.17Å; L85-V102 HydrophobicContact CD2-CB 4.44Å; L85-V102 HydrophobicContact CD2-CG2 3.85Å; L85-V102 HydrophobicContact CG-CG2 3.8Å; L85-F105 HydrophobicContact CD2-CB 4.2Å; L85-F105 HydrophobicContact CD2-CD1 3.79Å; L85-F105 HydrophobicContact CD2-CE1 4.45Å; L85-F105 HydrophobicContact CD2-CG 4.01Å
86R84.7Confident76.4Confident80 Ų8095.2 Ų95.230%0.30248%0.476SS..Hα-helixtrans-54.6-50.6173.1-84.5-175.1173.6116.511.8111.6E82 L89 A90 D99 V102E82-R86 WeakPolarHBondContact O-CB 2.99Å; E82-R86 WeakPolarHBondContact O-CG 3.48Å; E82-R86 PolarHBondContact O-N 3.27Å; E82-R86 IonicContact OE1-CZ 3.32Å; E82-R86 IonicContact OE1-NH1 2.71Å; E82-R86 PolarHBondContact OE1-NH1 3.11Å; E82-R86 IonicContact OE1-NH2 3.23Å; E82-R86 PolarHBondContact OE1-NH2 3.33Å; R86-L89 PolarHBondContact O-N 2.89Å; R86-A90 WeakPolarHBondContact O-CB 3.46Å; R86-A90 PolarHBondContact O-N 3.01Å; R86-D99 IonicContact CZ-OD1 3.95Å; R86-D99 VanDerWaalsContact CZ-OD1 3.32Å; R86-D99 IonicContact NE-OD1 2.85Å; R86-D99 PolarHBondContact NE-OD1 2.9Å; R86-D99 IonicContact NH2-OD1 2.66Å; R86-D99 PolarHBondContact NH2-OD1 3.34Å; R86-V102 HydrophobicContact CB-CG2 4.38Å; R86-V102 HydrophobicContact CG-CB 4.24Å; R86-V102 HydrophobicContact CG-CG1 4.21Å; R86-V102 HydrophobicContact CG-CG2 3.65Å
87K85.1Confident78.3Confident143 Ų14394.6 Ų94.662%0.62247%0.467SS*.Hα-helixtrans-62.8-44.3-179.4-173179177.6-177.70111.5S83 L84 L85 A90 E91S83-K87 WeakPolarHBondContact O-CB 3.35Å; S83-K87 PolarHBondContact O-N 3.03Å; L84-K87 PolarHBondContact O-N 3.03Å; L85-K87 PolarHBondContact O-N 2.95Å; K87-A90 PolarHBondContact O-N 3.48Å; K87-E91 WeakPolarHBondContact O-CB 3.47Å; K87-E91 PolarHBondContact O-N 3.22Å
88Y87Confident80Confident141 Ų14192.9 Ų92.955%0.55346%0.462SS*.Hα-helixtrans-62.4-43.7178.7-174.7-92.9000112.1L84 L85 E91 K92L84-Y88 WeakPolarHBondContact O-CB 3.04Å; L84-Y88 PolarHBondContact O-N 3.32Å; L85-Y88 PolarHBondContact O-N 3.12Å; Y88-E91 PolarHBondContact O-N 3.13Å; Y88-K92 HydrophobicContact CD2-CG 4.26Å; Y88-K92 HydrophobicContact CE1-CB 4.36Å; Y88-K92 HydrophobicContact CE1-CG 4.19Å; Y88-K92 HydrophobicContact CE2-CG 3.9Å; Y88-K92 WeakPolarHBondContact O-CB 3.31Å; Y88-K92 PolarHBondContact O-N 2.69Å
89L89.3Confident81.8Confident14 Ų1486 Ų867%0.07344%0.442CS..Hα-helixtrans-65.1-44.3176.6-71.2168.1000111.5L85 R86 E91 L93 P98 V101 V102L85-L89 HydrophobicContact CD1-CD1 4.26Å; L85-L89 HydrophobicContact CD1-CG 4.36Å; L85-L89 HydrophobicContact CG-CD1 3.95Å; L85-L89 HydrophobicContact CG-CG 4.47Å; L85-L89 WeakPolarHBondContact O-CB 3.48Å; L85-L89 VanDerWaalsContact O-CG 3.26Å; L85-L89 WeakPolarHBondContact O-CG 3.27Å; L85-L89 PolarHBondContact O-N 2.65Å; R86-L89 PolarHBondContact O-N 2.89Å; L89-E91 VanDerWaalsContact C-N 3.28Å; L89-E91 PolarHBondContact O-N 3.25Å; L89-L93 HydrophobicContact CD2-CD1 3.91Å; L89-L93 CarbonylContact O-C 3.5Å; L89-L93 VanDerWaalsContact O-CA 3.25Å; L89-L93 WeakPolarHBondContact O-CA 3.3Å; L89-L93 WeakPolarHBondContact O-CB 3.27Å; L89-L93 PolarHBondContact O-N 2.81Å; L89-L93 VanDerWaalsContact O-O 3.08Å; L89-P98 HydrophobicContact CB-CB 3.97Å; L89-V101 HydrophobicContact CD1-CB 3.84Å; L89-V101 HydrophobicContact CD1-CG1 3.65Å; L89-V101 HydrophobicContact CD2-CG1 4.3Å; L89-V102 HydrophobicContact CD1-CG2 3.68Å
90A85.8Confident83.4Confident58 Ų5889.2 Ų89.248%0.47945%0.448SS..Hα-helixtrans-62.4-35.1177.300000112.7R86 K87R86-A90 WeakPolarHBondContact O-CB 3.46Å; R86-A90 PolarHBondContact O-N 3.01Å; K87-A90 PolarHBondContact O-N 3.48Å
91E87.5Confident84.5Confident121 Ų12186.5 Ų86.557%0.56544%0.435SS*.Hα-helixtrans-81-41.4-178.7-164.6-16612900113.1K87 Y88 L89K87-E91 WeakPolarHBondContact O-CB 3.47Å; K87-E91 PolarHBondContact O-N 3.22Å; Y88-E91 PolarHBondContact O-N 3.13Å; L89-E91 VanDerWaalsContact C-N 3.28Å; L89-E91 PolarHBondContact O-N 3.25Å
92K88.5Confident85.1Confident118 Ų11881.8 Ų81.851%0.51341%0.414SS..Hα-helixtrans-99.1-24.2-173.1-60.8-52.5-170.7-147.70114.2Y88Y88-K92 HydrophobicContact CD2-CG 4.26Å; Y88-K92 HydrophobicContact CE1-CB 4.36Å; Y88-K92 HydrophobicContact CE1-CG 4.19Å; Y88-K92 HydrophobicContact CE2-CG 3.9Å; Y88-K92 WeakPolarHBondContact O-CB 3.31Å; Y88-K92 PolarHBondContact O-N 2.69Å
93L86.2Confident85.4Confident80 Ų8082.5 Ų82.542%0.41943%0.425SS..  trans-136.563.9-172.1-77.3156.4000110.6L89 E95 V96L89-L93 HydrophobicContact CD2-CD1 3.91Å; L89-L93 CarbonylContact O-C 3.5Å; L89-L93 VanDerWaalsContact O-CA 3.25Å; L89-L93 WeakPolarHBondContact O-CA 3.3Å; L89-L93 WeakPolarHBondContact O-CB 3.27Å; L89-L93 PolarHBondContact O-N 2.81Å; L89-L93 VanDerWaalsContact O-O 3.08Å; L93-E95 PolarHBondContact O-N 2.67Å; L93-E95 VanDerWaalsContact O-N 3.15Å; L93-V96 HydrophobicContact CB-CG2 4.21Å; L93-V96 HydrophobicContact CD2-CG2 4.43Å; L93-V96 PolarHBondContact O-N 2.98Å; L93-V96 VanDerWaalsContact O-N 3.17Å
94P79.8Confident85.9Confident99 Ų9984.8 Ų84.864%0.64343%0.427SS*.THydrogen-bonded Turntrans-64-19.7-178.726.9-34.9000113.4V96P94-V96 PolarHBondContact O-N 2.74Å
95E83.1Confident86.3Confident180 Ų18084.4 Ų84.484%0.84142%0.422SS*.THydrogen-bonded Turntrans-64.1-22.1176.9-52.6-67.1149.500113.1L93L93-E95 PolarHBondContact O-N 2.67Å; L93-E95 VanDerWaalsContact O-N 3.15Å
96V84.7Confident86.4Confident57 Ų5785.2 Ų85.235%0.34543%0.426SS..SBendtrans-109.1137.2-170.2-158.80000109.8L93 P94 P98 V101L93-V96 HydrophobicContact CB-CG2 4.21Å; L93-V96 HydrophobicContact CD2-CG2 4.43Å; L93-V96 PolarHBondContact O-N 2.98Å; L93-V96 VanDerWaalsContact O-N 3.17Å; P94-V96 PolarHBondContact O-N 2.74Å; V96-P98 WeakPolarHBondContact O-CD 3.18Å; V96-P98 VanDerWaalsContact O-N 3.07Å; V96-V101 HydrophobicContact CB-CG2 4.34Å; V96-V101 HydrophobicContact CG1-CG2 3.27Å
97N87.3Confident86.6Confident98 Ų9886.7 Ų86.752%0.52444%0.436SS..  trans-66108.2172.9-176.7-23.7000109.6D99 F100 V101N97-D99 VanDerWaalsContact C-N 3.27Å; N97-D99 PolarHBondContact O-N 3.01Å; N97-D99 PolarHBondContact OD1-N 3.25Å; N97-D99 VanDerWaalsContact OD1-N 3.12Å; N97-F100 HydrophobicContact CB-CB 4.12Å; N97-F100 PolarHBondContact O-N 3.34Å; N97-F100 PolarHBondContact OD1-N 2.8Å; N97-V101 PolarHBondContact O-N 3.06Å
98P83.9Confident86.8Confident34 Ų3482.8 Ų82.822%0.22143%0.43CS..Hα-helixtrans-64.6-34.1-172.425.5-31.8000111.5L89 V96 F100 V101 V102L89-P98 HydrophobicContact CB-CB 3.97Å; V96-P98 WeakPolarHBondContact O-CD 3.18Å; V96-P98 VanDerWaalsContact O-N 3.07Å; P98-F100 PolarHBondContact O-N 2.9Å; P98-V101 PolarHBondContact O-N 3.18Å; P98-V102 WeakPolarHBondContact O-CB 3.43Å; P98-V102 WeakPolarHBondContact O-CG2 3.42Å; P98-V102 PolarHBondContact O-N 2.89Å
99D82.1Confident86.9Confident79 Ų7979.4 Ų79.442%0.42242%0.422SS..Hα-helixtrans-65.7-39.8178.9-72.4-49.2000112.5R86 N97 S103R86-D99 IonicContact CZ-OD1 3.95Å; R86-D99 VanDerWaalsContact CZ-OD1 3.32Å; R86-D99 IonicContact NE-OD1 2.85Å; R86-D99 PolarHBondContact NE-OD1 2.9Å; R86-D99 IonicContact NH2-OD1 2.66Å; R86-D99 PolarHBondContact NH2-OD1 3.34Å; N97-D99 VanDerWaalsContact C-N 3.27Å; N97-D99 PolarHBondContact O-N 3.01Å; N97-D99 PolarHBondContact OD1-N 3.25Å; N97-D99 VanDerWaalsContact OD1-N 3.12Å; D99-S103 VanDerWaalsContact O-CB 3.27Å; D99-S103 WeakPolarHBondContact O-CB 3.3Å; D99-S103 PolarHBondContact O-N 3.44Å; D99-S103 PolarHBondContact O-OG 3.24Å
100F87.5Confident86.7Confident132 Ų13281.6 Ų81.658%0.57944%0.438SS*.Hα-helixtrans-66-47.3178.4-179-99.5000111.5N97 P98 S103 K104N97-F100 HydrophobicContact CB-CB 4.12Å; N97-F100 PolarHBondContact O-N 3.34Å; N97-F100 PolarHBondContact OD1-N 2.8Å; P98-F100 PolarHBondContact O-N 2.9Å; F100-S103 PolarHBondContact O-N 3.45Å; F100-K104 HydrophobicContact CE1-CG 4.1Å; F100-K104 HydrophobicContact CE2-CG 4.3Å; F100-K104 HydrophobicContact CZ-CG 3.96Å; F100-K104 WeakPolarHBondContact O-CB 3.2Å; F100-K104 PolarHBondContact O-N 3.16Å
101V88.8Confident86.9Confident45 Ų4583.2 Ų83.227%0.27344%0.442SS..Hα-helixtrans-63.9-46.9-179.71760000110.7L89 V96 N97 P98 S103 K104 F105L89-V101 HydrophobicContact CD1-CB 3.84Å; L89-V101 HydrophobicContact CD1-CG1 3.65Å; L89-V101 HydrophobicContact CD2-CG1 4.3Å; V96-V101 HydrophobicContact CB-CG2 4.34Å; V96-V101 HydrophobicContact CG1-CG2 3.27Å; N97-V101 PolarHBondContact O-N 3.06Å; P98-V101 PolarHBondContact O-N 3.18Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 2.9Å; V101-K104 PolarHBondContact O-N 2.89Å; V101-F105 VanDerWaalsContact O-CB 3.24Å; V101-F105 WeakPolarHBondContact O-CB 3.48Å; V101-F105 PolarHBondContact O-N 2.84Å
102V88.9Confident86.9Confident0 Ų085.5 Ų85.50%045%0.445CS..Hα-helixtrans-61-45.9-179.5168.90000110.6E82 L85 R86 L89 P98 K104 F105 L106E82-V102 HydrophobicContact CB-CG1 4.31Å; E82-V102 HydrophobicContact CG-CG1 3.24Å; L85-V102 HydrophobicContact CB-CG2 4.17Å; L85-V102 HydrophobicContact CD2-CB 4.44Å; L85-V102 HydrophobicContact CD2-CG2 3.85Å; L85-V102 HydrophobicContact CG-CG2 3.8Å; R86-V102 HydrophobicContact CB-CG2 4.38Å; R86-V102 HydrophobicContact CG-CB 4.24Å; R86-V102 HydrophobicContact CG-CG1 4.21Å; R86-V102 HydrophobicContact CG-CG2 3.65Å; L89-V102 HydrophobicContact CD1-CG2 3.68Å; P98-V102 WeakPolarHBondContact O-CB 3.43Å; P98-V102 WeakPolarHBondContact O-CG2 3.42Å; P98-V102 PolarHBondContact O-N 2.89Å; V102-K104 PolarHBondContact O-N 2.7Å; V102-F105 PolarHBondContact O-N 3.45Å; V102-L106 HydrophobicContact CG1-CD1 4.12Å; V102-L106 WeakPolarHBondContact O-CB 3.47Å; V102-L106 WeakPolarHBondContact O-CG 3.4Å; V102-L106 PolarHBondContact O-N 2.99Å
103S86.1Confident86.7Confident66 Ų6683.7 Ų83.746%0.46244%0.441SS..Hα-helixtrans-61-45.3177-60.50000111.9D99 F100 V101 Q107D99-S103 VanDerWaalsContact O-CB 3.27Å; D99-S103 WeakPolarHBondContact O-CB 3.3Å; D99-S103 PolarHBondContact O-N 3.44Å; D99-S103 PolarHBondContact O-OG 3.24Å; F100-S103 PolarHBondContact O-N 3.45Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 2.9Å; S103-Q107 VanDerWaalsContact O-CB 3.31Å; S103-Q107 WeakPolarHBondContact O-CB 3.45Å; S103-Q107 PolarHBondContact O-N 3.26Å
104K90Very high86.6Confident109 Ų10986.1 Ų86.147%0.47446%0.455SS..Hα-helixtrans-66.8-39.5178.1-82.1-69.6178-166.20112.8F100 V101 V102 Q107 A108F100-K104 HydrophobicContact CE1-CG 4.1Å; F100-K104 HydrophobicContact CE2-CG 4.3Å; F100-K104 HydrophobicContact CZ-CG 3.96Å; F100-K104 WeakPolarHBondContact O-CB 3.2Å; F100-K104 PolarHBondContact O-N 3.16Å; V101-K104 PolarHBondContact O-N 2.89Å; V102-K104 PolarHBondContact O-N 2.7Å; K104-Q107 PolarHBondContact O-N 3.47Å; K104-A108 WeakPolarHBondContact O-CB 3.45Å; K104-A108 PolarHBondContact O-N 2.87Å
105F90.5Very high87.1Confident87 Ų8785.8 Ų85.838%0.38246%0.455SS..Hα-helixtrans-63-50.8176.7178.6-89.4000110.9F81 L85 V101 V102 Q107 A108 L109F81-F105 HydrophobicContact CD1-CE1 4.38Å; F81-F105 AromaticContact CE1-CD1 3.66Å; F81-F105 HydrophobicContact CE1-CD1 3.66Å; F81-F105 AromaticContact CE1-CE1 3.23Å; F81-F105 HydrophobicContact CE1-CE1 3.23Å; F81-F105 HydrophobicContact CE1-CZ 4.18Å; F81-F105 HydrophobicContact CZ-CD1 4.17Å; F81-F105 AromaticContact CZ-CE1 3.45Å; F81-F105 HydrophobicContact CZ-CE1 3.45Å; F81-F105 VanDerWaalsContact CZ-CE1 3.45Å; F81-F105 AromaticContact CZ-CZ 3.96Å; F81-F105 HydrophobicContact CZ-CZ 3.96Å; L85-F105 HydrophobicContact CD2-CB 4.2Å; L85-F105 HydrophobicContact CD2-CD1 3.79Å; L85-F105 HydrophobicContact CD2-CE1 4.45Å; L85-F105 HydrophobicContact CD2-CG 4.01Å; V101-F105 VanDerWaalsContact O-CB 3.24Å; V101-F105 WeakPolarHBondContact O-CB 3.48Å; V101-F105 PolarHBondContact O-N 2.84Å; V102-F105 PolarHBondContact O-N 3.45Å; F105-Q107 VanDerWaalsContact C-N 3.29Å; F105-Q107 PolarHBondContact O-N 2.92Å; F105-A108 PolarHBondContact O-N 3.03Å; F105-L109 HydrophobicContact CE1-CB 4.35Å; F105-L109 HydrophobicContact CE1-CD2 4.12Å; F105-L109 WeakPolarHBondContact O-CB 3.3Å; F105-L109 PolarHBondContact O-N 3.26Å
106L88.1Confident87.2Confident49 Ų4979.9 Ų79.926%0.25743%0.428SS..Hα-helixtrans-62-38.4178.4-72.2178.4000111.9F81 E82 V102 L109 S110F81-L106 HydrophobicContact CD1-CD2 4.08Å; F81-L106 HydrophobicContact CE1-CD2 4.35Å; E82-L106 HydrophobicContact CB-CD1 4Å; E82-L106 HydrophobicContact CG-CD1 3.59Å; E82-L106 WeakPolarHBondContact OE2-CD1 3.5Å; V102-L106 HydrophobicContact CG1-CD1 4.12Å; V102-L106 WeakPolarHBondContact O-CB 3.47Å; V102-L106 WeakPolarHBondContact O-CG 3.4Å; V102-L106 PolarHBondContact O-N 2.99Å; L106-L109 PolarHBondContact O-N 3.38Å; L106-S110 VanDerWaalsContact O-CB 3.26Å; L106-S110 WeakPolarHBondContact O-CB 3.46Å; L106-S110 PolarHBondContact O-N 2.69Å
107Q89Confident87.2Confident111 Ų11179.9 Ų79.952%0.51943%0.43SS..Hα-helixtrans-60.1-50.1173.3-173.9-18029.600111.3S103 K104 F105 L109 S110 V111S103-Q107 VanDerWaalsContact O-CB 3.31Å; S103-Q107 WeakPolarHBondContact O-CB 3.45Å; S103-Q107 PolarHBondContact O-N 3.26Å; K104-Q107 PolarHBondContact O-N 3.47Å; F105-Q107 VanDerWaalsContact C-N 3.29Å; F105-Q107 PolarHBondContact O-N 2.92Å; Q107-L109 VanDerWaalsContact C-N 3.35Å; Q107-L109 PolarHBondContact O-N 2.82Å; Q107-S110 PolarHBondContact O-N 2.75Å; Q107-V111 WeakPolarHBondContact O-CG2 3.46Å; Q107-V111 PolarHBondContact O-N 3.06Å
108A89.4Confident87Confident60 Ų6082.7 Ų82.750%0.49644%0.438SS..Hα-helixtrans-64.6-39.3179.600000112.4K104 F105 R112K104-A108 WeakPolarHBondContact O-CB 3.45Å; K104-A108 PolarHBondContact O-N 2.87Å; F105-A108 PolarHBondContact O-N 3.03Å; A108-R112 WeakPolarHBondContact O-CB 3.31Å; A108-R112 PolarHBondContact O-N 3.27Å
109L88Confident87Confident70 Ų7084.5 Ų84.537%0.36645%0.451SS..Hα-helixtrans-63-47.2176.4-174.473.4000110.9F105 L106 Q107 R112 L113F105-L109 HydrophobicContact CE1-CB 4.35Å; F105-L109 HydrophobicContact CE1-CD2 4.12Å; F105-L109 WeakPolarHBondContact O-CB 3.3Å; F105-L109 PolarHBondContact O-N 3.26Å; L106-L109 PolarHBondContact O-N 3.38Å; Q107-L109 VanDerWaalsContact C-N 3.35Å; Q107-L109 PolarHBondContact O-N 2.82Å; L109-R112 PolarHBondContact O-N 2.95Å; L109-L113 HydrophobicContact CD1-CD1 4.41Å; L109-L113 HydrophobicContact CD2-CD1 4.39Å; L109-L113 HydrophobicContact CG-CD1 3.93Å; L109-L113 WeakPolarHBondContact O-CB 3.4Å; L109-L113 WeakPolarHBondContact O-CG 3.32Å; L109-L113 PolarHBondContact O-N 2.91Å
110S86.2Confident87.2Confident60 Ų6084.4 Ų84.442%0.4245%0.451SS..Hα-helixtrans-60.4-47.4177.71730000111.7L106 Q107 R112 L113 N114L106-S110 VanDerWaalsContact O-CB 3.26Å; L106-S110 WeakPolarHBondContact O-CB 3.46Å; L106-S110 PolarHBondContact O-N 2.69Å; Q107-S110 PolarHBondContact O-N 2.75Å; S110-R112 VanDerWaalsContact C-N 3.31Å; S110-R112 PolarHBondContact O-N 3.42Å; S110-L113 PolarHBondContact O-N 3.13Å; S110-N114 WeakPolarHBondContact O-CB 3.33Å; S110-N114 VanDerWaalsContact O-CG 3.25Å; S110-N114 PolarHBondContact O-N 2.86Å; S110-N114 PolarHBondContact O-ND2 2.83Å; S110-N114 PolarHBondContact OG-ND2 3.08Å
111V89.4Confident86.9Confident93 Ų9381.4 Ų81.456%0.56444%0.44SS*.Hα-helixtrans-59.3-44.4176.8171.20000110.9Q107 S115Q107-V111 WeakPolarHBondContact O-CG2 3.46Å; Q107-V111 PolarHBondContact O-N 3.06Å; V111-S115 WeakPolarHBondContact O-CB 3.24Å; V111-S115 PolarHBondContact O-N 3.3Å; V111-S115 VanDerWaalsContact O-N 3.12Å; V111-S115 PolarHBondContact O-OG 3.3Å
112R87.2Confident86.6Confident168 Ų16884.7 Ų84.763%0.63445%0.452SS*.Hα-helixtrans-64.6-48.4179-175.5175.7-74.6-169.3-3.7111.8A108 L109 S110 N114 S115 M116A108-R112 WeakPolarHBondContact O-CB 3.31Å; A108-R112 PolarHBondContact O-N 3.27Å; L109-R112 PolarHBondContact O-N 2.95Å; S110-R112 VanDerWaalsContact C-N 3.31Å; S110-R112 PolarHBondContact O-N 3.42Å; R112-N114 VanDerWaalsContact C-N 3.35Å; R112-N114 PolarHBondContact O-N 2.96Å; R112-S115 PolarHBondContact O-N 3.25Å; R112-S115 VanDerWaalsContact O-N 3.16Å; R112-S115 PolarHBondContact O-OG 3.25Å; R112-M116 HydrophobicContact CG-CE 3.83Å; R112-M116 HydrophobicContact CG-SD 4.42Å; R112-M116 WeakPolarHBondContact O-CG 3.49Å; R112-M116 PolarHBondContact O-N 3.43Å
113L84.6Confident86.4Confident80 Ų8089.5 Ų89.542%0.41948%0.478SS..Hα-helixtrans-60.7-43.6179.3-79.8168.2000111.9L109 S110 S115 M116L109-L113 HydrophobicContact CD1-CD1 4.41Å; L109-L113 HydrophobicContact CD2-CD1 4.39Å; L109-L113 HydrophobicContact CG-CD1 3.93Å; L109-L113 WeakPolarHBondContact O-CB 3.4Å; L109-L113 WeakPolarHBondContact O-CG 3.32Å; L109-L113 PolarHBondContact O-N 2.91Å; S110-L113 PolarHBondContact O-N 3.13Å; L113-S115 PolarHBondContact O-N 2.95Å; L113-M116 PolarHBondContact O-N 3.49Å
114N85.1Confident86.3Confident132 Ų13289.5 Ų89.571%0.70647%0.473SS*.Hα-helixtrans-69.5-20.6179-69.9-36.4000113.3S110 R112S110-N114 WeakPolarHBondContact O-CB 3.33Å; S110-N114 VanDerWaalsContact O-CG 3.25Å; S110-N114 PolarHBondContact O-N 2.86Å; S110-N114 PolarHBondContact O-ND2 2.83Å; S110-N114 PolarHBondContact OG-ND2 3.08Å; R112-N114 VanDerWaalsContact C-N 3.35Å; R112-N114 PolarHBondContact O-N 2.96Å
115S88.7Confident85.8Confident92 Ų9286.8 Ų86.864%0.64347%0.471SS*.Hα-helixtrans-86.2-11.4175.570.70000114V111 R112 L113V111-S115 WeakPolarHBondContact O-CB 3.24Å; V111-S115 PolarHBondContact O-N 3.3Å; V111-S115 VanDerWaalsContact O-N 3.12Å; V111-S115 PolarHBondContact O-OG 3.3Å; R112-S115 PolarHBondContact O-N 3.25Å; R112-S115 VanDerWaalsContact O-N 3.16Å; R112-S115 PolarHBondContact O-OG 3.25Å; L113-S115 PolarHBondContact O-N 2.95Å
116M85Confident85.2Confident56 Ų5685.4 Ų85.428%0.27647%0.472SS..SBendtrans-85.8142.1-176.5-81.2175.8171.300111.8R112 L113 D120 I121 L124R112-M116 HydrophobicContact CG-CE 3.83Å; R112-M116 HydrophobicContact CG-SD 4.42Å; R112-M116 WeakPolarHBondContact O-CG 3.49Å; R112-M116 PolarHBondContact O-N 3.43Å; L113-M116 PolarHBondContact O-N 3.49Å; M116-D120 HydrophobicContact CB-CB 4.02Å; M116-D120 HydrophobicContact CG-CB 4.07Å; M116-I121 HydrophobicContact CB-CD1 4.46Å; M116-I121 HydrophobicContact CB-CG1 3.94Å; M116-L124 HydrophobicContact CE-CD1 3.65Å; M116-L124 HydrophobicContact SD-CD1 3.52Å; M116-L124 VanDerWaalsContact SD-CD1 3.52Å
117S86.5Confident84.7Confident57 Ų5787.6 Ų87.640%0.39949%0.487SS..  trans-73.6161.6169.873.40000110.5S119 D120 I121S117-S119 PolarHBondContact O-N 2.95Å; S117-D120 WeakPolarHBondContact CB-OD2 3.37Å; S117-D120 PolarHBondContact N-OD2 3.41Å; S117-D120 VanDerWaalsContact N-OD2 3.13Å; S117-D120 WeakPolarHBondContact O-CB 3.49Å; S117-D120 PolarHBondContact O-N 3.18Å; S117-D120 PolarHBondContact OG-N 3.05Å; S117-D120 PolarHBondContact OG-OD2 2.66Å; S117-I121 WeakPolarHBondContact O-CG1 3.48Å; S117-I121 PolarHBondContact O-N 2.94Å; S117-I121 VanDerWaalsContact O-N 3.11Å
118F82.1Confident83.4Confident156 Ų15691.4 Ų91.468%0.68450%0.497SS*.Hα-helixtrans-56.5-38.2178.1-157.3-92.9000111.9D120 I121 E122F118-D120 PolarHBondContact O-N 2.81Å; F118-I121 PolarHBondContact O-N 2.85Å; F118-E122 HydrophobicContact CD1-CG 4.17Å; F118-E122 HydrophobicContact CE1-CG 4.11Å; F118-E122 PolarHBondContact O-N 2.82Å
119S84.2Confident81.9Confident72 Ų7293.1 Ų93.150%0.50351%0.505SS..Hα-helixtrans-64.5-37.5176.4-51.60000112.8S117 I121 E122 N123S117-S119 PolarHBondContact O-N 2.95Å; S119-I121 VanDerWaalsContact C-N 3.34Å; S119-E122 PolarHBondContact O-N 2.8Å; S119-N123 PolarHBondContact O-N 2.88Å; S119-N123 PolarHBondContact O-ND2 3.31Å; S119-N123 VanDerWaalsContact O-ND2 3.11Å
120D86.2Confident80.2Confident77 Ų7797.2 Ų97.241%0.41253%0.527SS..Hα-helixtrans-67.4-37.8176.2-61.2-45.8000111.5M116 S117 F118 N123 L124M116-D120 HydrophobicContact CB-CB 4.02Å; M116-D120 HydrophobicContact CG-CB 4.07Å; S117-D120 WeakPolarHBondContact CB-OD2 3.37Å; S117-D120 PolarHBondContact N-OD2 3.41Å; S117-D120 VanDerWaalsContact N-OD2 3.13Å; S117-D120 WeakPolarHBondContact O-CB 3.49Å; S117-D120 PolarHBondContact O-N 3.18Å; S117-D120 PolarHBondContact OG-N 3.05Å; S117-D120 PolarHBondContact OG-OD2 2.66Å; F118-D120 PolarHBondContact O-N 2.81Å; D120-N123 PolarHBondContact O-N 2.86Å; D120-L124 PolarHBondContact O-N 2.86Å
121I82.1Confident78.4Confident69 Ų6998.9 Ų98.935%0.35454%0.538SS..Hα-helixtrans-65.7-43.6176.9-62.8169.7000110.5M116 S117 F118 S119 L124 A125M116-I121 HydrophobicContact CB-CD1 4.46Å; M116-I121 HydrophobicContact CB-CG1 3.94Å; S117-I121 WeakPolarHBondContact O-CG1 3.48Å; S117-I121 PolarHBondContact O-N 2.94Å; S117-I121 VanDerWaalsContact O-N 3.11Å; F118-I121 PolarHBondContact O-N 2.85Å; S119-I121 VanDerWaalsContact C-N 3.34Å; I121-L124 WeakPolarHBondContact O-CB 3.46Å; I121-L124 PolarHBondContact O-N 2.83Å; I121-A125 PolarHBondContact O-N 2.66Å
122E81.8Confident76.1Confident114 Ų114100.8 Ų100.853%0.53358%0.577SS.*Hα-helixtrans-62.8-41175.9-74.5-174.3143.100112.1F118 S119 L124 A125 S126F118-E122 HydrophobicContact CD1-CG 4.17Å; F118-E122 HydrophobicContact CE1-CG 4.11Å; F118-E122 PolarHBondContact O-N 2.82Å; S119-E122 PolarHBondContact O-N 2.8Å; E122-L124 VanDerWaalsContact C-N 3.34Å; E122-L124 PolarHBondContact O-N 3.08Å; E122-A125 PolarHBondContact O-N 2.88Å; E122-S126 PolarHBondContact O-N 3.03Å; E122-S126 PolarHBondContact O-OG 2.91Å
123N84.8Confident75.5Confident101 Ų10197.5 Ų97.554%0.5457%0.574SS.*Hα-helixtrans-63.7-38.5174.2-74.4-35.8000112.2S119 D120 S126 V127S119-N123 PolarHBondContact O-N 2.88Å; S119-N123 PolarHBondContact O-ND2 3.31Å; S119-N123 VanDerWaalsContact O-ND2 3.11Å; D120-N123 PolarHBondContact O-N 2.86Å; N123-S126 PolarHBondContact O-N 3.13Å; N123-S126 PolarHBondContact O-OG 2.92Å; N123-V127 VanDerWaalsContact O-CG2 3.31Å; N123-V127 WeakPolarHBondContact O-CG2 3.49Å; N123-V127 PolarHBondContact O-N 3.26Å
124L82.6Confident75Confident66 Ų6698.4 Ų98.435%0.34658%0.582SS.*Hα-helixtrans-63.8-43.3174.3-111.1164.7000111.9M116 D120 I121 E122 S126 V127 W128M116-L124 HydrophobicContact CE-CD1 3.65Å; M116-L124 HydrophobicContact SD-CD1 3.52Å; M116-L124 VanDerWaalsContact SD-CD1 3.52Å; D120-L124 PolarHBondContact O-N 2.86Å; I121-L124 WeakPolarHBondContact O-CB 3.46Å; I121-L124 PolarHBondContact O-N 2.83Å; E122-L124 VanDerWaalsContact C-N 3.34Å; E122-L124 PolarHBondContact O-N 3.08Å; L124-S126 VanDerWaalsContact C-N 3.34Å; L124-S126 PolarHBondContact O-N 2.79Å; L124-V127 PolarHBondContact O-N 2.98Å; L124-W128 PolarHBondContact O-N 3.25Å
125A79.6Confident74.5Confident53 Ų5396.5 Ų96.544%0.43858%0.575SS.*Hα-helixtrans-65.4-38.117900000112.1I121 E122 W128 S129I121-A125 PolarHBondContact O-N 2.66Å; E122-A125 PolarHBondContact O-N 2.88Å; A125-W128 PolarHBondContact O-N 3.03Å; A125-S129 PolarHBondContact O-N 2.92Å; A125-S129 VanDerWaalsContact O-N 3.12Å; A125-S129 PolarHBondContact O-OG 2.85Å
126S78.9Confident73.6Confident57 Ų5796.8 Ų96.840%0.39957%0.571SS.*Hα-helixtrans-68.3-37-179.766.90000112.3E122 N123 L124 W128 S129E122-S126 PolarHBondContact O-N 3.03Å; E122-S126 PolarHBondContact O-OG 2.91Å; N123-S126 PolarHBondContact O-N 3.13Å; N123-S126 PolarHBondContact O-OG 2.92Å; L124-S126 VanDerWaalsContact C-N 3.34Å; L124-S126 PolarHBondContact O-N 2.79Å; S126-W128 VanDerWaalsContact C-N 3.3Å; S126-W128 PolarHBondContact O-N 3.34Å; S126-S129 PolarHBondContact O-N 3.48Å
127V77.3Confident72.9Confident95 Ų9599.3 Ų99.358%0.57659%0.59SS**Hα-helixtrans-60.8-39.5175.7172.90000111.6N123 L124N123-V127 VanDerWaalsContact O-CG2 3.31Å; N123-V127 WeakPolarHBondContact O-CG2 3.49Å; N123-V127 PolarHBondContact O-N 3.26Å; L124-V127 PolarHBondContact O-N 2.98Å
128W61.2Low72Confident191 Ų191102.1 Ų102.172%0.72360%0.603SS**Hα-helixtrans-80.6-22.8-179.8-72.5-8.4000114.4L124 A125 S126 L130 S131L124-W128 PolarHBondContact O-N 3.25Å; A125-W128 PolarHBondContact O-N 3.03Å; S126-W128 VanDerWaalsContact C-N 3.3Å; S126-W128 PolarHBondContact O-N 3.34Å; W128-L130 PolarHBondContact O-N 3.39Å; W128-S131 PolarHBondContact O-N 2.82Å; W128-S131 PolarHBondContact O-OG 3.11Å; W128-S131 VanDerWaalsContact O-OG 3.07Å
129S58.8Low71.3Confident96 Ų9698.3 Ų98.367%0.67160%0.597SS**Hα-helixtrans-67.9-19.9178-57.20000113A125 S126A125-S129 PolarHBondContact O-N 2.92Å; A125-S129 VanDerWaalsContact O-N 3.12Å; A125-S129 PolarHBondContact O-OG 2.85Å; S126-S129 PolarHBondContact O-N 3.48Å
130L51.2Low70.3Confident157 Ų157100.3 Ų100.382%0.82260%0.604SS**THydrogen-bonded Turntrans-93.4-6.2-177.6-78.1158000114.1W128W128-L130 PolarHBondContact O-N 3.39Å
131S50Low69Low94 Ų94102.3 Ų102.366%0.65762%0.62SS**  trans-106.214.4-173.243.50000115.2W128W128-S131 PolarHBondContact O-N 2.82Å; W128-S131 PolarHBondContact O-OG 3.11Å; W128-S131 VanDerWaalsContact O-OG 3.07Å
132G39.3Very low67.8Low134 Ų134105.3 Ų105.3100%1.38164%0.644SS**  trans-117.20173.900000111.8

Retrieved 132 of 132 residues in 91.9 ms (Link to these results)

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