A0A077ZQN6_TRITR Loading...

Reverse transcriptase domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZQN6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 189 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
1M54.2Low81.8Confident128 Ų12888.4 Ų88.463%0.63145%0.447SS*.  0135.20-168.9166.6-86.400107.5A6 F104M1-A6 HydrophobicContact CE-CB 4.43Å; M1-A6 HydrophobicContact CG-CB 4.41Å; M1-A6 HydrophobicContact SD-CB 3.42Å; M1-A6 WeakPolarHBondContact SD-CB 3.48Å; M1-F104 HydrophobicContact CE-CE1 4.41Å; M1-F104 HydrophobicContact CE-CE2 3.64Å; M1-F104 HydrophobicContact CE-CZ 3.32Å; M1-F104 HydrophobicContact SD-CZ 3.91Å
2Q55.5Low82.9Confident105 Ų10593.8 Ų93.849%0.49147%0.465SS..  trans-73.5139.7178.7-75.6174.1-28.400110G4 I5Q2-G4 PolarHBondContact O-N 3.41Å; Q2-I5 HydrophobicContact CB-CD1 3.9Å; Q2-I5 HydrophobicContact CB-CG1 4.43Å; Q2-I5 PolarHBondContact O-N 3.33Å
3L56.2Low83.8Confident185 Ų18590.2 Ų90.297%0.96945%0.446SS*.BIsolated β-bridgetrans-53.4127.4174.5-77.9141.6000109.7
4G78.6Confident84.5Confident47 Ų4788 Ų8849%0.48544%0.437SS..THydrogen-bonded Turntrans97.9-7.7174.100000117.2Q2 T119Q2-G4 PolarHBondContact O-N 3.41Å; G4-T119 PolarHBondContact O-OG1 3.12Å
5I89.1Confident85.1Confident21 Ų2196.9 Ų96.911%0.10846%0.463CS..THydrogen-bonded Turntrans-87.8-34174.6-59.5178.2000111.8Q2 H90 M118 T119 R120Q2-I5 HydrophobicContact CB-CD1 3.9Å; Q2-I5 HydrophobicContact CB-CG1 4.43Å; Q2-I5 PolarHBondContact O-N 3.33Å; I5-H90 HydrophobicContact CD1-CB 4.03Å; I5-H90 HydrophobicContact CG1-CB 4.31Å; I5-H90 HydrophobicContact CG2-CB 4.48Å; I5-M118 HydrophobicContact CG2-SD 4.06Å; I5-T119 PolarHBondContact O-N 3.42Å; I5-T119 PolarHBondContact O-OG1 2.98Å; I5-R120 HydrophobicContact CG2-CB 4.38Å; I5-R120 PolarHBondContact O-N 2.79Å
6A93.6Very high85.7Confident16 Ų1697.3 Ų97.313%0.13247%0.468CS..EExtended strand (participates in β ladder)trans-141158.5172.800000109.7M1 F104 Q117 M118M1-A6 HydrophobicContact CE-CB 4.43Å; M1-A6 HydrophobicContact CG-CB 4.41Å; M1-A6 HydrophobicContact SD-CB 3.42Å; M1-A6 WeakPolarHBondContact SD-CB 3.48Å; A6-F104 HydrophobicContact CB-CE1 4.09Å; A6-F104 HydrophobicContact CB-CZ 4.07Å; A6-Q117 CarbonylContact C-O 3.58Å; A6-Q117 WeakPolarHBondContact CA-O 3.24Å; A6-Q117 WeakPolarHBondContact CB-O 3.31Å; A6-M118 HydrophobicContact CB-SD 3.77Å
7R94.6Very high86.2Confident76 Ų7694.9 Ų94.929%0.28746%0.462SS..EExtended strand (participates in β ladder)trans-126151171.770.4177.3-172.2104.9-6.6110.6E13 F116 Q117 T119R7-E13 IonicContact CZ-OE1 3.81Å; R7-E13 IonicContact CZ-OE2 3.41Å; R7-E13 IonicContact NH1-OE1 2.69Å; R7-E13 PolarHBondContact NH1-OE1 2.9Å; R7-E13 IonicContact NH1-OE2 2.8Å; R7-E13 PolarHBondContact NH1-OE2 3.08Å; R7-E13 IonicContact NH2-OE1 3.2Å; R7-E13 PolarHBondContact NH2-OE1 3.25Å; R7-E13 IonicContact NH2-OE2 3.65Å; R7-F116 CarbonylContact O-C 3.54Å; R7-F116 WeakPolarHBondContact O-CA 3.44Å; R7-Q117 HydrophobicContact CG-CG 3.82Å; R7-Q117 PolarHBondContact N-O 3.49Å; R7-Q117 PolarHBondContact O-N 2.89Å; R7-T119 HydrophobicContact CB-CG2 4.37Å; R7-T119 HydrophobicContact CG-CG2 4.1Å
8K95Very high86.5Confident113 Ų11394.4 Ų94.449%0.49148%0.476SS..EExtended strand (participates in β ladder)trans-66.6136.1167-171.9167.7178.1166.40108.7Q114 F116K8-Q114 VanDerWaalsContact CE-OE1 3.32Å; K8-Q114 VanDerWaalsContact NZ-NE2 3.19Å; K8-F116 HydrophobicContact CB-CD1 4.07Å; K8-F116 HydrophobicContact CB-CE1 3.8Å; K8-F116 HydrophobicContact CB-CZ 4.37Å; K8-F116 HydrophobicContact CD-CZ 4.45Å; K8-F116 HydrophobicContact CG-CE1 4.29Å; K8-F116 HydrophobicContact CG-CZ 4.39Å
9V95.8Very high86.8Confident6 Ų693.9 Ų93.94%0.03650%0.497CS..PPolyproline II helixtrans-85.3127.4174.8179.80000108E13 L14 T115 Q117V9-E13 HydrophobicContact CG1-CB 3.68Å; V9-L14 HydrophobicContact CB-CD2 4.36Å; V9-L14 HydrophobicContact CG1-CD2 4.05Å; V9-T115 HydrophobicContact CB-CG2 3.95Å; V9-T115 HydrophobicContact CG2-CG2 3.83Å; V9-T115 PolarHBondContact N-O 3.26Å; V9-Q117 HydrophobicContact CG2-CB 3.88Å; V9-Q117 HydrophobicContact CG2-CG 3.83Å
10E94.8Very high87.2Confident97 Ų9794.6 Ų94.645%0.45349%0.492SS..PPolyproline II helixtrans-69.1153.5179.5-66-175.9-166.900111.3K12 E13 L14E10-K12 HydrophobicContact CB-CG 4.17Å; E10-K12 PolarHBondContact O-N 2.66Å; E10-K12 VanDerWaalsContact O-N 3.12Å; E10-K12 WeakPolarHBondContact OE2-CE 3.05Å; E10-K12 IonicContact OE2-NZ 2.66Å; E10-K12 PolarHBondContact OE2-NZ 3.45Å; E10-E13 HydrophobicContact CB-CG 4.26Å; E10-E13 PolarHBondContact N-OE2 2.89Å; E10-E13 WeakPolarHBondContact O-CA 3.46Å; E10-E13 WeakPolarHBondContact O-CB 2.93Å; E10-E13 PolarHBondContact O-N 2.85Å; E10-L14 PolarHBondContact O-N 3.36Å
11Q92.8Very high87.6Confident178 Ų17892.5 Ų92.583%0.83248%0.481SS*.G310 helixtrans-56.1-35.2-178-163.6173.910.400112.7E13 L14Q11-E13 VanDerWaalsContact C-N 3.3Å; Q11-E13 PolarHBondContact O-N 3.24Å; Q11-L14 HydrophobicContact CG-CD1 4.11Å; Q11-L14 PolarHBondContact O-N 2.81Å
12K94.7Very high89.7Confident154 Ų15489 Ų8967%0.6746%0.461SS*.G310 helixtrans-69.6-23.5176.172.4-170.5-168-143.60113.8E10E10-K12 HydrophobicContact CB-CG 4.17Å; E10-K12 PolarHBondContact O-N 2.66Å; E10-K12 VanDerWaalsContact O-N 3.12Å; E10-K12 WeakPolarHBondContact OE2-CE 3.05Å; E10-K12 IonicContact OE2-NZ 2.66Å; E10-K12 PolarHBondContact OE2-NZ 3.45Å
13E94.3Very high91.6Very high47 Ų4788.2 Ų88.222%0.2245%0.454CS..G310 helixtrans-93.4-10.9-179-63.5-179.4102.900112.7R7 V9 E10 Q11 R15 L16 R103R7-E13 IonicContact CZ-OE1 3.81Å; R7-E13 IonicContact CZ-OE2 3.41Å; R7-E13 IonicContact NH1-OE1 2.69Å; R7-E13 PolarHBondContact NH1-OE1 2.9Å; R7-E13 IonicContact NH1-OE2 2.8Å; R7-E13 PolarHBondContact NH1-OE2 3.08Å; R7-E13 IonicContact NH2-OE1 3.2Å; R7-E13 PolarHBondContact NH2-OE1 3.25Å; R7-E13 IonicContact NH2-OE2 3.65Å; V9-E13 HydrophobicContact CG1-CB 3.68Å; E10-E13 HydrophobicContact CB-CG 4.26Å; E10-E13 PolarHBondContact N-OE2 2.89Å; E10-E13 WeakPolarHBondContact O-CA 3.46Å; E10-E13 WeakPolarHBondContact O-CB 2.93Å; E10-E13 PolarHBondContact O-N 2.85Å; Q11-E13 VanDerWaalsContact C-N 3.3Å; Q11-E13 PolarHBondContact O-N 3.24Å; E13-R15 PolarHBondContact O-N 2.93Å; E13-R15 VanDerWaalsContact O-N 3.08Å; E13-L16 PolarHBondContact O-N 3.37Å; E13-R103 PolarHBondContact O-NH2 3.22Å
14L94.2Very high93.6Very high59 Ų5979.6 Ų79.631%0.30941%0.409SS..THydrogen-bonded Turntrans-55.6-34.5-172.6-71.7175.3000113.5V9 E10 Q11 R103 T115V9-L14 HydrophobicContact CB-CD2 4.36Å; V9-L14 HydrophobicContact CG1-CD2 4.05Å; E10-L14 PolarHBondContact O-N 3.36Å; Q11-L14 HydrophobicContact CG-CD1 4.11Å; Q11-L14 PolarHBondContact O-N 2.81Å; L14-R103 PolarHBondContact O-NH1 2.91Å; L14-T115 HydrophobicContact CD2-CG2 4.19Å
15R93.8Very high94.4Very high222 Ų22279.9 Ų79.984%0.83840%0.402SS*.THydrogen-bonded Turntrans-102.67179.4-61.4-175.4-179.3176.10.2113.9E13E13-R15 PolarHBondContact O-N 2.93Å; E13-R15 VanDerWaalsContact O-N 3.08Å
16L93.6Very high94.6Very high103 Ų10381.7 Ų81.754%0.53941%0.41SS..  trans-116150.6179.6-62.9175.3000110.8E13 R103E13-L16 PolarHBondContact O-N 3.37Å; L16-R103 PolarHBondContact O-NH2 2.84Å
17P94.2Very high94.6Very high57 Ų5785.8 Ų85.837%0.3743%0.427SS..SBendcis-67.9138.1-16.725.3-29.7000111.6G19 R20 I21P17-G19 PolarHBondContact O-N 3.33Å; P17-R20 HydrophobicContact CB-CB 4.3Å; P17-R20 HydrophobicContact CG-CB 3.8Å; P17-R20 PolarHBondContact O-N 2.87Å; P17-R20 VanDerWaalsContact O-N 3.15Å; P17-I21 WeakPolarHBondContact O-CG1 3.48Å
18A92.8Very high94.5Very high85 Ų8584.8 Ų84.870%0.70244%0.439SS*.THydrogen-bonded Turntrans-57.5134.1-179.800000111.1R20A18-R20 PolarHBondContact O-N 2.85Å
19G91.8Very high94.3Very high85 Ų8582.5 Ų82.588%0.87644%0.435SS*.THydrogen-bonded Turntrans71.33.7-179.900000115.8P17P17-G19 PolarHBondContact O-N 3.33Å
20R94.5Very high94.2Very high108 Ų10890.4 Ų90.441%0.40846%0.464SS..  trans-128.347.4179.9-73-169.569.8142-0.9111.5P17 A18 D98 S100 F101P17-R20 HydrophobicContact CB-CB 4.3Å; P17-R20 HydrophobicContact CG-CB 3.8Å; P17-R20 PolarHBondContact O-N 2.87Å; P17-R20 VanDerWaalsContact O-N 3.15Å; A18-R20 PolarHBondContact O-N 2.85Å; R20-D98 IonicContact NH2-OD1 3.75Å; R20-D98 PolarHBondContact NH2-OD1 3.39Å; R20-S100 VanDerWaalsContact O-CB 3.24Å; R20-S100 WeakPolarHBondContact O-CB 3.22Å; R20-S100 PolarHBondContact O-OG 3.4Å; R20-F101 HydrophobicContact CB-CE1 4.31Å; R20-F101 HydrophobicContact CB-CE2 4.19Å; R20-F101 HydrophobicContact CB-CZ 3.71Å; R20-F101 HydrophobicContact CG-CE2 4.41Å; R20-F101 HydrophobicContact CG-CZ 3.82Å
21I96.1Very high93.9Very high50 Ų5091.2 Ų91.226%0.25647%0.468SS..  trans-124.5129.3-178-66.8167.1000107.9P17 Y23P17-I21 WeakPolarHBondContact O-CG1 3.48Å; I21-Y23 HydrophobicContact CG2-CD2 4.14Å; I21-Y23 HydrophobicContact CG2-CE2 3.64Å
22W97Very high93.8Very high54 Ų5488.6 Ų88.621%0.20547%0.466CS..  trans-139.4138.3173.6-172.9-91.1000110.4C48 V51 S100 F101 R103W22-C48 HydrophobicContact CH2-CB 3.74Å; W22-C48 HydrophobicContact CZ2-CB 4.18Å; W22-V51 VanDerWaalsContact CH2-O 3.31Å; W22-V51 WeakPolarHBondContact CH2-O 3.47Å; W22-S100 PolarHBondContact N-O 3.34Å; W22-S100 VanDerWaalsContact N-O 3.1Å; W22-F101 HydrophobicContact CB-CB 4.28Å; W22-F101 HydrophobicContact CB-CD1 3.87Å; W22-F101 CarbonylContact O-C 3.58Å; W22-R103 WeakPolarHBondContact O-CB 3.39Å; W22-R103 PolarHBondContact O-N 3.11Å; W22-R103 VanDerWaalsContact O-N 3.17Å
23Y96.7Very high93.8Very high90 Ų9085.1 Ų85.135%0.35347%0.466SS..BIsolated β-bridgetrans-105.3120.6176.5-73-96000109.6I21 P25 R103 L105 T115I21-Y23 HydrophobicContact CG2-CD2 4.14Å; I21-Y23 HydrophobicContact CG2-CE2 3.64Å; Y23-P25 WeakPolarHBondContact O-CD 3.39Å; Y23-R103 CarbonylContact C-O 3.58Å; Y23-R103 WeakPolarHBondContact CA-O 3.16Å; Y23-R103 HydrophobicContact CD1-CB 3.94Å; Y23-R103 HydrophobicContact CE1-CB 4.02Å; Y23-R103 HydrophobicContact CG-CB 4.33Å; Y23-L105 HydrophobicContact CD1-CD2 4.16Å; Y23-L105 HydrophobicContact CD1-CG 4.02Å; Y23-L105 HydrophobicContact CE1-CD2 3.72Å; Y23-L105 HydrophobicContact CE1-CG 4.11Å; Y23-T115 HydrophobicContact CE1-CG2 3.67Å; Y23-T115 PolarHBondContact OH-OG1 2.95Å
24L96.6Very high93.5Very high3 Ų390.9 Ų90.92%0.01649%0.486CS..  trans-79.3118.4172-67.6175.8000109.6F42 A44 L53 L102 R103 V122L24-F42 HydrophobicContact CB-CD1 3.84Å; L24-F42 HydrophobicContact CD1-CB 4.28Å; L24-F42 HydrophobicContact CD1-CD1 4.16Å; L24-F42 HydrophobicContact CD1-CG 4.44Å; L24-A44 HydrophobicContact CD2-CB 3.88Å; L24-L53 HydrophobicContact CD2-CD2 3.82Å; L24-L102 HydrophobicContact CD1-CB 4.18Å; L24-L102 HydrophobicContact CD1-CD2 3.78Å; L24-R103 PolarHBondContact N-O 2.79Å; L24-V122 HydrophobicContact CD1-CG2 4.19Å
25P96.3Very high93.2Very high54 Ų5491.5 Ų91.535%0.35149%0.493SS..  trans-62.7148.1163.425.4-28000109.2Y23 D43 S46Y23-P25 WeakPolarHBondContact O-CD 3.39Å; P25-D43 WeakPolarHBondContact CD-O 3.34Å; P25-D43 HydrophobicContact CG-CB 4.25Å; P25-D43 PolarHBondContact O-N 3.33Å; P25-S46 VanDerWaalsContact CG-CB 3.41Å
26H94.4Very high93Very high58 Ų5888.8 Ų88.827%0.26950%0.495SS..EExtended strand (participates in β ladder)trans-148.2156.3-179.762-70.8000110.3I40 V41 F42 L105 W106H26-I40 HydrophobicContact CB-CG2 3.92Å; H26-V41 CarbonylContact C-O 3.26Å; H26-V41 WeakPolarHBondContact CA-O 3.2Å; H26-V41 WeakPolarHBondContact CB-O 3.33Å; H26-F42 HydrophobicContact CB-CD1 3.65Å; H26-F42 HydrophobicContact CB-CE1 3.68Å; H26-F42 HydrophobicContact CB-CG 4.26Å; H26-F42 HydrophobicContact CB-CZ 4.3Å; H26-F42 AromaticContact CG-CE1 3.96Å; H26-L105 PolarHBondContact CE1-O 3.39Å; H26-L105 PolarHBondContact NE2-O 3.3Å; H26-W106 AromaticContact NE2-CE3 3.97Å
27H92.9Very high92.7Very high103 Ų10388.9 Ų88.948%0.47749%0.491SS..EExtended strand (participates in β ladder)trans-147.2154.6176.360.4-84.3000111V41H27-V41 PolarHBondContact N-O 2.71Å; H27-V41 PolarHBondContact O-N 3.01Å
28G91.6Very high92.5Very high54 Ų5489.7 Ų89.756%0.55750%0.495SS*.EExtended strand (participates in β ladder)trans-86.3128.3177.100000111.6
29V92.1Very high92.3Very high66 Ų6693.6 Ų93.640%0.449%0.492SS..EExtended strand (participates in β ladder)trans-111132.2173.7-179.60000109.3V38 R39 V41V29-V38 WeakPolarHBondContact O-CA 3.14Å; V29-R39 PolarHBondContact N-O 3.06Å; V29-R39 PolarHBondContact O-N 2.73Å; V29-V41 HydrophobicContact CB-CG2 4.43Å; V29-V41 HydrophobicContact CG2-CG2 3.75Å
30R92.2Very high92.3Very high172 Ų17292.7 Ų92.765%0.64947%0.466SS*.EExtended strand (participates in β ladder)trans-110.8134.6174.5-69178.5-175.1-172.60.7109.5V38R30-V38 HydrophobicContact CG-CG2 3.86Å
31H89.3Confident92.2Very high113 Ų11389.7 Ų89.752%0.52346%0.46SS..EExtended strand (participates in β ladder)trans-79.2132.8173.5-172.9-82.4000109.7A33 R34H31-A33 VanDerWaalsContact C-N 3.3Å; H31-A33 WeakPolarHBondContact ND1-CB 3.49Å; H31-A33 PolarHBondContact ND1-N 2.94Å; H31-A33 PolarHBondContact O-N 2.95Å; H31-R34 HydrophobicContact CB-CB 4.34Å; H31-R34 CarbonylContact O-C 3.59Å; H31-R34 PolarHBondContact O-N 3.06Å
32P91.2Very high92.1Very high124 Ų12488 Ų8881%0.80545%0.451SS*.THydrogen-bonded Turntrans-54-43.1-178-2834.7000113.7R34P32-R34 VanDerWaalsContact C-N 3.31Å; P32-R34 PolarHBondContact O-N 2.91Å
33A93.3Very high92.1Very high80 Ų8088.5 Ų88.566%0.66146%0.457SS*.THydrogen-bonded Turntrans-77.7-8.5177.500000114.9H31H31-A33 VanDerWaalsContact C-N 3.3Å; H31-A33 WeakPolarHBondContact ND1-CB 3.49Å; H31-A33 PolarHBondContact ND1-N 2.94Å; H31-A33 PolarHBondContact O-N 2.95Å
34R89.8Confident92.1Very high169 Ų16984.3 Ų84.364%0.63844%0.441SS*.EExtended strand (participates in β ladder)trans-140.264.8-178.8-60-173.7-169.4-179.76.4110.2H31 P32 N36 K37H31-R34 HydrophobicContact CB-CB 4.34Å; H31-R34 CarbonylContact O-C 3.59Å; H31-R34 PolarHBondContact O-N 3.06Å; P32-R34 VanDerWaalsContact C-N 3.31Å; P32-R34 PolarHBondContact O-N 2.91Å; R34-N36 PolarHBondContact O-N 2.86Å; R34-N36 VanDerWaalsContact O-N 3.15Å; R34-K37 HydrophobicContact CB-CB 4.4Å; R34-K37 PolarHBondContact O-N 3.34Å
35P86.8Confident92Very high72 Ų7287.4 Ų87.447%0.46846%0.463SS..EExtended strand (participates in β ladder)trans-62.5-26.9-170.925-34.9000113.4K37P35-K37 PolarHBondContact O-N 3.46Å
36N90.6Very high92Very high165 Ų16587 Ų8788%0.88246%0.462SS*.EExtended strand (participates in β ladder)trans-74.4-9.3178.6-62-15.7000113.5R34R34-N36 PolarHBondContact O-N 2.86Å; R34-N36 VanDerWaalsContact O-N 3.15Å
37K87.3Confident92.2Very high104 Ų10488.8 Ų88.845%0.45248%0.476SS..EExtended strand (participates in β ladder)trans-106.2103.3179.3-169.2170.8-175.91720110.2R34 P35R34-K37 HydrophobicContact CB-CB 4.4Å; R34-K37 PolarHBondContact O-N 3.34Å; P35-K37 PolarHBondContact O-N 3.46Å
38V89.3Confident92.3Very high75 Ų7587.3 Ų87.346%0.45548%0.477SS..EExtended strand (participates in β ladder)trans-88.5133.2171.6-173.40000109.5V29 R30V29-V38 WeakPolarHBondContact O-CA 3.14Å; R30-V38 HydrophobicContact CG-CG2 3.86Å
39R89.4Confident92.4Very high167 Ų16794 Ų9463%0.6349%0.494SS*.EExtended strand (participates in β ladder)trans-109.7134.2166.9-64.6-174.8-176.8-130.86.4108.9V29V29-R39 PolarHBondContact N-O 3.06Å; V29-R39 PolarHBondContact O-N 2.73Å
40I90.8Very high92.6Very high66 Ų6694.1 Ų94.134%0.33851%0.508SS..EExtended strand (participates in β ladder)trans-86.6127.9173.2-57.9169.2000107.6H26 F42 W106H26-I40 HydrophobicContact CB-CG2 3.92Å; I40-F42 HydrophobicContact CB-CE2 4.37Å; I40-F42 HydrophobicContact CG2-CD2 4.29Å; I40-F42 HydrophobicContact CG2-CE1 4.45Å; I40-F42 HydrophobicContact CG2-CE2 3.63Å; I40-F42 HydrophobicContact CG2-CZ 3.71Å; I40-W106 HydrophobicContact CD1-CH2 3.82Å; I40-W106 HydrophobicContact CD1-CZ3 3.57Å; I40-W106 HydrophobicContact CG1-CZ3 4.42Å
41V92.2Very high92.8Very high45 Ų4588.9 Ų88.927%0.27350%0.495SS..EExtended strand (participates in β ladder)trans-109.9126.9174.1179.70000108.1H26 H27 V29H26-V41 CarbonylContact C-O 3.26Å; H26-V41 WeakPolarHBondContact CA-O 3.2Å; H26-V41 WeakPolarHBondContact CB-O 3.33Å; H27-V41 PolarHBondContact N-O 2.71Å; H27-V41 PolarHBondContact O-N 3.01Å; V29-V41 HydrophobicContact CB-CG2 4.43Å; V29-V41 HydrophobicContact CG2-CG2 3.75Å
42F95Very high93.2Very high15 Ų1584.2 Ų84.27%0.06648%0.475CS..EExtended strand (participates in β ladder)trans-94.8135172.9-68-85.8000109.5L24 H26 I40 F104 M118 V122L24-F42 HydrophobicContact CB-CD1 3.84Å; L24-F42 HydrophobicContact CD1-CB 4.28Å; L24-F42 HydrophobicContact CD1-CD1 4.16Å; L24-F42 HydrophobicContact CD1-CG 4.44Å; H26-F42 HydrophobicContact CB-CD1 3.65Å; H26-F42 HydrophobicContact CB-CE1 3.68Å; H26-F42 HydrophobicContact CB-CG 4.26Å; H26-F42 HydrophobicContact CB-CZ 4.3Å; H26-F42 AromaticContact CG-CE1 3.96Å; I40-F42 HydrophobicContact CB-CE2 4.37Å; I40-F42 HydrophobicContact CG2-CD2 4.29Å; I40-F42 HydrophobicContact CG2-CE1 4.45Å; I40-F42 HydrophobicContact CG2-CE2 3.63Å; I40-F42 HydrophobicContact CG2-CZ 3.71Å; F42-F104 HydrophobicContact CE1-CB 3.83Å; F42-F104 AromaticContact CE1-CD1 3.83Å; F42-F104 HydrophobicContact CE1-CD1 3.83Å; F42-F104 HydrophobicContact CE1-CD2 4.2Å; F42-F104 HydrophobicContact CE1-CE1 4.48Å; F42-F104 AromaticContact CE1-CG 3.69Å; F42-F104 HydrophobicContact CE1-CG 3.69Å; F42-F104 HydrophobicContact CZ-CD1 4.23Å; F42-F104 HydrophobicContact CZ-CD2 4.46Å; F42-F104 HydrophobicContact CZ-CE1 4.45Å; F42-F104 HydrophobicContact CZ-CG 4.26Å; F42-M118 HydrophobicContact CD2-CE 4.06Å; F42-M118 HydrophobicContact CE1-CE 3.89Å; F42-M118 HydrophobicContact CE2-CE 3.14Å; F42-M118 HydrophobicContact CZ-CE 3.04Å; F42-V122 HydrophobicContact CB-CG2 4.24Å; F42-V122 HydrophobicContact CD2-CB 4.18Å; F42-V122 HydrophobicContact CD2-CG1 4.08Å; F42-V122 HydrophobicContact CE2-CG1 4.41Å; F42-V122 HydrophobicContact CG-CG2 4.47Å
43D95.9Very high93.4Very high63 Ų6378.9 Ų78.934%0.33744%0.44SS..  trans-108.292.1179.5-179.510.6000110.8P25 S45 S46P25-D43 WeakPolarHBondContact CD-O 3.34Å; P25-D43 HydrophobicContact CG-CB 4.25Å; P25-D43 PolarHBondContact O-N 3.33Å; D43-S45 PolarHBondContact O-N 3.15Å; D43-S45 WeakPolarHBondContact OD1-CA 3.33Å; D43-S45 WeakPolarHBondContact OD1-CB 3.42Å; D43-S45 PolarHBondContact OD1-N 3.39Å; D43-S46 PolarHBondContact OD1-N 3.15Å
44A96.5Very high93.6Very high2 Ų275.9 Ų75.92%0.01741%0.413CS..THydrogen-bonded Turntrans-80.6-2.6174.300000113.6L24 L53 N54 L125L24-A44 HydrophobicContact CD2-CB 3.88Å; A44-L53 HydrophobicContact CB-CB 4.33Å; A44-L53 HydrophobicContact CB-CD2 4.32Å; A44-L53 PolarHBondContact O-N 2.94Å; A44-N54 WeakPolarHBondContact O-CB 3.42Å; A44-N54 PolarHBondContact O-N 3.22Å; A44-L125 HydrophobicContact CB-CD2 3.66Å
45S96.1Very high94Very high69 Ų6971.1 Ų71.148%0.48341%0.405SS..THydrogen-bonded Turntrans-92.6-13.3174.8-62.90000112.4D43 V47 S52 N54D43-S45 PolarHBondContact O-N 3.15Å; D43-S45 WeakPolarHBondContact OD1-CA 3.33Å; D43-S45 WeakPolarHBondContact OD1-CB 3.42Å; D43-S45 PolarHBondContact OD1-N 3.39Å; S45-V47 PolarHBondContact O-N 3.03Å; S45-S52 VanDerWaalsContact O-CB 3.31Å; S45-S52 WeakPolarHBondContact O-CB 3.46Å; S45-N54 PolarHBondContact OG-ND2 3.17Å
46S96.2Very high94.4Very high45 Ų4571.8 Ų71.832%0.31541%0.411SS..  trans-56131.5174.6-165.70000111.7P25 D43 S52P25-S46 VanDerWaalsContact CG-CB 3.41Å; D43-S46 PolarHBondContact OD1-N 3.15Å; S46-S52 WeakPolarHBondContact O-CA 3.47Å; S46-S52 WeakPolarHBondContact O-CB 3.44Å
47V97.3Very high94.6Very high96 Ų9666.3 Ų66.358%0.58238%0.381SS*.  trans-96.5125.8-176.6178.50000109.5S45 V51S45-V47 PolarHBondContact O-N 3.03Å; V47-V51 CarbonylContact C-O 3.54Å; V47-V51 WeakPolarHBondContact CA-O 3.35Å
48C95.2Very high95Very high72 Ų7272 Ų7249%0.48640%0.4SS..BIsolated β-bridgetrans-126.5130.9170.5-170.30000108W22 G50 V51W22-C48 HydrophobicContact CH2-CB 3.74Å; W22-C48 HydrophobicContact CZ2-CB 4.18Å; C48-G50 PolarHBondContact O-N 3.41Å; C48-G50 VanDerWaalsContact O-N 3.13Å; C48-V51 PolarHBondContact N-O 3.27Å; C48-V51 PolarHBondContact O-N 2.64Å
49E94.3Very high95.3Very high194 Ų19474.8 Ų74.891%0.90741%0.406SS*.THydrogen-bonded Turntrans52.137.3-179.1-59.6-178175.200113.6V51E49-V51 VanDerWaalsContact C-N 3.32Å; E49-V51 PolarHBondContact O-N 3.11Å
50G96Very high95.5Very high69 Ų6968.7 Ų68.771%0.71140%0.395SS*.THydrogen-bonded Turntrans81.21.3177.600000115.6C48C48-G50 PolarHBondContact O-N 3.41Å; C48-G50 VanDerWaalsContact O-N 3.13Å
51V96.1Very high95.7Very high62 Ų6269.9 Ų69.938%0.37641%0.407SS..BIsolated β-bridgetrans-128.3147.7-178.9-176.10000110.7W22 V47 C48 E49 S55 C56W22-V51 VanDerWaalsContact CH2-O 3.31Å; W22-V51 WeakPolarHBondContact CH2-O 3.47Å; V47-V51 CarbonylContact C-O 3.54Å; V47-V51 WeakPolarHBondContact CA-O 3.35Å; C48-V51 PolarHBondContact N-O 3.27Å; C48-V51 PolarHBondContact O-N 2.64Å; E49-V51 VanDerWaalsContact C-N 3.32Å; E49-V51 PolarHBondContact O-N 3.11Å; V51-S55 WeakPolarHBondContact CG1-OG 3.32Å; V51-C56 WeakPolarHBondContact CG1-SG 3.12Å
52S97Very high95.6Very high14 Ų1473.2 Ų73.210%0.09842%0.424CS..  trans-120.9154.4167.368.10000110.5S45 S46 N54 S55 C56S45-S52 VanDerWaalsContact O-CB 3.31Å; S45-S52 WeakPolarHBondContact O-CB 3.46Å; S46-S52 WeakPolarHBondContact O-CA 3.47Å; S46-S52 WeakPolarHBondContact O-CB 3.44Å; S52-N54 VanDerWaalsContact C-N 3.25Å; S52-N54 PolarHBondContact O-N 2.7Å; S52-S55 PolarHBondContact N-OG 3.1Å; S52-S55 WeakPolarHBondContact O-CB 3.49Å; S52-S55 PolarHBondContact O-N 3.42Å; S52-S55 PolarHBondContact O-OG 3.04Å; S52-S55 PolarHBondContact OG-N 3.23Å; S52-C56 PolarHBondContact O-N 3.13Å
53L96.8Very high95.5Very high12 Ų1274.7 Ų74.76%0.06343%0.432CS..Hα-helixtrans-56.4-42.4177.7-177.462.6000111.6L24 A44 S55 C56 L57 F101 L102 L125L24-L53 HydrophobicContact CD2-CD2 3.82Å; A44-L53 HydrophobicContact CB-CB 4.33Å; A44-L53 HydrophobicContact CB-CD2 4.32Å; A44-L53 PolarHBondContact O-N 2.94Å; L53-S55 PolarHBondContact O-N 2.87Å; L53-C56 WeakPolarHBondContact O-CB 3.5Å; L53-C56 PolarHBondContact O-N 3.01Å; L53-L57 HydrophobicContact CD1-CG 4.41Å; L53-L57 HydrophobicContact CD2-CD1 4.41Å; L53-L57 HydrophobicContact CG-CD1 3.95Å; L53-L57 HydrophobicContact CG-CG 4.28Å; L53-L57 WeakPolarHBondContact O-CG 3.38Å; L53-L57 PolarHBondContact O-N 2.85Å; L53-L57 VanDerWaalsContact O-N 3.1Å; L53-F101 HydrophobicContact CD1-CB 4.16Å; L53-L102 HydrophobicContact CD2-CD2 3.85Å; L53-L125 HydrophobicContact CD2-CD2 3.67Å
54N97.3Very high95.3Very high17 Ų1775 Ų759%0.09143%0.433CS..Hα-helixtrans-64.4-23.5177.3-82-18.9000114.5A44 S45 S52 C56 G124 L125 R126A44-N54 WeakPolarHBondContact O-CB 3.42Å; A44-N54 PolarHBondContact O-N 3.22Å; S45-N54 PolarHBondContact OG-ND2 3.17Å; S52-N54 VanDerWaalsContact C-N 3.25Å; S52-N54 PolarHBondContact O-N 2.7Å; N54-C56 VanDerWaalsContact C-N 3.32Å; N54-G124 PolarHBondContact ND2-O 3.3Å; N54-G124 PolarHBondContact OD1-O 2.99Å; N54-L125 WeakPolarHBondContact OD1-CA 3.35Å; N54-R126 HydrophobicContact CB-CB 4.19Å; N54-R126 VanDerWaalsContact O-CD 3.32Å; N54-R126 WeakPolarHBondContact O-CD 3.24Å; N54-R126 WeakPolarHBondContact OD1-CB 3.31Å; N54-R126 PolarHBondContact OD1-N 3.47Å
55S96.9Very high95.1Very high69 Ų6976 Ų7648%0.48344%0.438SS..Hα-helixtrans-74-26.4173.376.60000112.2V51 S52 L53V51-S55 WeakPolarHBondContact CG1-OG 3.32Å; S52-S55 PolarHBondContact N-OG 3.1Å; S52-S55 WeakPolarHBondContact O-CB 3.49Å; S52-S55 PolarHBondContact O-N 3.42Å; S52-S55 PolarHBondContact O-OG 3.04Å; S52-S55 PolarHBondContact OG-N 3.23Å; L53-S55 PolarHBondContact O-N 2.87Å
56C95.6Very high94.9Very high87 Ų8778.7 Ų78.759%0.58845%0.447SS*.Hα-helixtrans-87.5-21.5176.1-57.90000113.7V51 S52 L53 N54V51-C56 WeakPolarHBondContact CG1-SG 3.12Å; S52-C56 PolarHBondContact O-N 3.13Å; L53-C56 WeakPolarHBondContact O-CB 3.5Å; L53-C56 PolarHBondContact O-N 3.01Å; N54-C56 VanDerWaalsContact C-N 3.32Å
57L96Very high94.8Very high49 Ų4979.8 Ų79.826%0.25745%0.449SS..SBendtrans-85.4136-178.7-66.8175.1000112.2L53 L125 R126L53-L57 HydrophobicContact CD1-CG 4.41Å; L53-L57 HydrophobicContact CD2-CD1 4.41Å; L53-L57 HydrophobicContact CG-CD1 3.95Å; L53-L57 HydrophobicContact CG-CG 4.28Å; L53-L57 WeakPolarHBondContact O-CG 3.38Å; L53-L57 PolarHBondContact O-N 2.85Å; L53-L57 VanDerWaalsContact O-N 3.1Å; L57-L125 HydrophobicContact CD1-CB 4.28Å; L57-L125 HydrophobicContact CD1-CD2 4Å; L57-R126 HydrophobicContact CB-CB 4.38Å
58R95.3Very high94.7Very high225 Ų22580.8 Ų80.885%0.84945%0.45SS*.  trans-76.5138.3168.3-64.4-177.7-179.6-171.2-0109.4G60 S127R58-G60 PolarHBondContact O-N 2.92Å; R58-S127 VanDerWaalsContact O-CB 3.27Å; R58-S127 WeakPolarHBondContact O-CB 3.34Å
59K94.3Very high94.7Very high132 Ų13281 Ų8157%0.57445%0.45SS*.  trans-57.1-31.1176.2-173.6-177.5174.9-170.80112.8R126 A130K59-R126 HydrophobicContact CB-CG 4.31Å; K59-A130 WeakPolarHBondContact O-CB 3.45Å
60G94Very high94.7Very high40 Ų4071.9 Ų71.941%0.41241%0.408SS..  trans79.5174.6-168.300000112R58R58-G60 PolarHBondContact O-N 2.92Å
61P94.8Very high94.7Very high90 Ų9071.3 Ų71.358%0.58439%0.388SS*.  trans-66.9153.3176.728.6-34.1000111.3L63 A130P61-L63 HydrophobicContact CB-CD2 4.28Å; P61-L63 HydrophobicContact CB-CG 4.41Å; P61-L63 HydrophobicContact CG-CD1 4.25Å; P61-L63 HydrophobicContact CG-CD2 4.12Å; P61-L63 HydrophobicContact CG-CG 4.03Å; P61-L63 PolarHBondContact O-N 2.8Å; P61-A130 WeakPolarHBondContact O-CB 3.37Å
62D91.9Very high94.7Very high116 Ų11673.2 Ų73.262%0.6240%0.395SS*.  trans-76.9113167.7-161.3-17.6000109L64D62-L64 WeakPolarHBondContact OD1-CB 3.48Å; D62-L64 WeakPolarHBondContact OD1-CG 3.37Å; D62-L64 PolarHBondContact OD1-N 2.95Å
63L92.2Very high94.5Very high45 Ų4574.7 Ų74.724%0.23640%0.4CS..  trans-111.59.1-179.7-61.8178.2000111.5P61 M133 Y134 K137P61-L63 HydrophobicContact CB-CD2 4.28Å; P61-L63 HydrophobicContact CB-CG 4.41Å; P61-L63 HydrophobicContact CG-CD1 4.25Å; P61-L63 HydrophobicContact CG-CD2 4.12Å; P61-L63 HydrophobicContact CG-CG 4.03Å; P61-L63 PolarHBondContact O-N 2.8Å; L63-M133 HydrophobicContact CB-CB 3.74Å; L63-M133 HydrophobicContact CD1-CB 4.27Å; L63-M133 WeakPolarHBondContact O-CE 3.47Å; L63-Y134 HydrophobicContact CD1-CD2 4.36Å; L63-K137 PolarHBondContact O-NZ 2.87Å
64L91Very high94.5Very high69 Ų6976.6 Ų76.636%0.36141%0.409SS..PPolyproline II helixtrans-66.1142.3175.6-64.5174.9000110.4D62 M133 V158D62-L64 WeakPolarHBondContact OD1-CB 3.48Å; D62-L64 WeakPolarHBondContact OD1-CG 3.37Å; D62-L64 PolarHBondContact OD1-N 2.95Å; L64-M133 HydrophobicContact CD2-CE 4.38Å; L64-M133 HydrophobicContact CD2-CG 4.33Å; L64-M133 HydrophobicContact CD2-SD 4.34Å; L64-V158 HydrophobicContact CD2-CB 4.47Å; L64-V158 HydrophobicContact CD2-CG2 3.61Å
65N92.5Very high94.4Very high25 Ų2584.9 Ų84.913%0.13444%0.438CS..PPolyproline II helixtrans-80.1147168.4-60-39.2000108.6L67 K137 R153 R154 F156N65-L67 PolarHBondContact O-N 3.06Å; N65-K137 PolarHBondContact OD1-NZ 3.01Å; N65-R153 PolarHBondContact ND2-O 2.99Å; N65-R154 WeakPolarHBondContact ND2-CA 3.28Å; N65-R154 PolarHBondContact ND2-O 2.93Å; N65-F156 WeakPolarHBondContact CB-O 3.46Å; N65-F156 PolarHBondContact ND2-O 2.73Å
66D93Very high94.4Very high124 Ų12489.3 Ų89.366%0.66345%0.445SS*.PPolyproline II helixtrans-60.5129.7177.6-69.9-37.9000110.7I68 P69 L70D66-I68 PolarHBondContact O-N 2.85Å; D66-P69 VanDerWaalsContact CB-CD 3.5Å; D66-P69 HydrophobicContact CB-CG 3.84Å; D66-P69 WeakPolarHBondContact O-CD 3.28Å; D66-L70 WeakPolarHBondContact O-CB 3.46Å; D66-L70 PolarHBondContact O-N 3.01Å
67L93.5Very high94.5Very high68 Ų6887.7 Ų87.736%0.35643%0.428SS..Hα-helixtrans-66.2-36.6-175.2-176.860.5000112.3N65 L70 L71 Y157N65-L67 PolarHBondContact O-N 3.06Å; L67-L70 PolarHBondContact O-N 2.85Å; L67-L71 HydrophobicContact CD1-CD1 4.17Å; L67-L71 HydrophobicContact CD1-CD2 4.48Å; L67-L71 HydrophobicContact CD1-CG 4.05Å; L67-L71 HydrophobicContact CG-CD1 3.93Å; L67-L71 HydrophobicContact CG-CG 4.25Å; L67-L71 WeakPolarHBondContact O-CB 3.49Å; L67-L71 VanDerWaalsContact O-CG 3.27Å; L67-L71 WeakPolarHBondContact O-CG 3.41Å; L67-L71 PolarHBondContact O-N 3.23Å; L67-Y157 HydrophobicContact CB-CD2 4.33Å; L67-Y157 HydrophobicContact CB-CE2 3.96Å; L67-Y157 HydrophobicContact CD1-CD1 4.37Å; L67-Y157 HydrophobicContact CD1-CD2 3.92Å; L67-Y157 HydrophobicContact CD1-CE1 4.44Å; L67-Y157 HydrophobicContact CD1-CE2 4.02Å; L67-Y157 HydrophobicContact CD1-CG 4.1Å; L67-Y157 HydrophobicContact CG-CE2 4.39Å
68I95.3Very high94.5Very high118 Ų11889.7 Ų89.761%0.60545%0.451SS*.Hα-helixtrans-67.4-52.9-176.3-57.4-59.5000112D66 L70 L71 I72D66-I68 PolarHBondContact O-N 2.85Å; I68-L70 PolarHBondContact O-N 3.41Å; I68-L71 PolarHBondContact O-N 2.78Å; I68-I72 HydrophobicContact CG2-CD1 4.02Å; I68-I72 WeakPolarHBondContact O-CG1 3.4Å; I68-I72 PolarHBondContact O-N 3.06Å
69P94Very high94.7Very high75 Ų7580.6 Ų80.649%0.48742%0.42SS..Hα-helixtrans-56.5-37.6173.5-26.336.1000113D66 I72 Q73D66-P69 VanDerWaalsContact CB-CD 3.5Å; D66-P69 HydrophobicContact CB-CG 3.84Å; D66-P69 WeakPolarHBondContact O-CD 3.28Å; P69-I72 PolarHBondContact O-N 2.89Å; P69-Q73 WeakPolarHBondContact O-CB 3.49Å; P69-Q73 PolarHBondContact O-N 3.42Å
70L94.8Very high94.8Very high4 Ų477.9 Ų77.92%0.02142%0.416CS..Hα-helixtrans-64.1-45.1177.6-176.867000112.4D66 L67 I68 I72 Q73 F74 S155 Y157 M162D66-L70 WeakPolarHBondContact O-CB 3.46Å; D66-L70 PolarHBondContact O-N 3.01Å; L67-L70 PolarHBondContact O-N 2.85Å; I68-L70 PolarHBondContact O-N 3.41Å; L70-I72 VanDerWaalsContact C-N 3.28Å; L70-I72 PolarHBondContact O-N 2.85Å; L70-Q73 PolarHBondContact O-N 3.02Å; L70-F74 WeakPolarHBondContact O-CB 3.2Å; L70-F74 PolarHBondContact O-N 2.77Å; L70-S155 VanDerWaalsContact CD1-CA 3.43Å; L70-Y157 VanDerWaalsContact CD2-CB 3.45Å; L70-Y157 HydrophobicContact CD2-CG 4.39Å; L70-M162 HydrophobicContact CD1-CB 4.31Å; L70-M162 WeakPolarHBondContact CD1-O 3.41Å; L70-M162 HydrophobicContact CD2-CE 3.31Å; L70-M162 HydrophobicContact CG-CB 4.38Å; L70-M162 HydrophobicContact CG-CE 3.85Å
71L95.7Very high94.9Very high56 Ų5677 Ų7729%0.29340%0.403SS..Hα-helixtrans-68.3-26.8177-70.1175.5000113.2L67 I68 R75L67-L71 HydrophobicContact CD1-CD1 4.17Å; L67-L71 HydrophobicContact CD1-CD2 4.48Å; L67-L71 HydrophobicContact CD1-CG 4.05Å; L67-L71 HydrophobicContact CG-CD1 3.93Å; L67-L71 HydrophobicContact CG-CG 4.25Å; L67-L71 WeakPolarHBondContact O-CB 3.49Å; L67-L71 VanDerWaalsContact O-CG 3.27Å; L67-L71 WeakPolarHBondContact O-CG 3.41Å; L67-L71 PolarHBondContact O-N 3.23Å; I68-L71 PolarHBondContact O-N 2.78Å; L71-R75 WeakPolarHBondContact O-CG 3.2Å; L71-R75 PolarHBondContact O-N 3.03Å; L71-R75 PolarHBondContact O-NE 3.3Å
72I96Very high94.9Very high103 Ų10378.2 Ų78.253%0.52840%0.403SS..Hα-helixtrans-71.8-48.2170.9-67.8167.9000109.4I68 P69 L70 F74 R75 R76I68-I72 HydrophobicContact CG2-CD1 4.02Å; I68-I72 WeakPolarHBondContact O-CG1 3.4Å; I68-I72 PolarHBondContact O-N 3.06Å; P69-I72 PolarHBondContact O-N 2.89Å; L70-I72 VanDerWaalsContact C-N 3.28Å; L70-I72 PolarHBondContact O-N 2.85Å; I72-F74 VanDerWaalsContact C-N 3.31Å; I72-F74 PolarHBondContact O-N 2.92Å; I72-R75 CarbonylContact O-C 3.52Å; I72-R75 PolarHBondContact O-N 2.88Å; I72-R76 PolarHBondContact O-N 3.43Å
73Q93.9Very high95Very high44 Ų4475 Ų7521%0.20639%0.393CS..Hα-helixtrans-58.6-41.5177.3177.760.92300111.7P69 L70 R75 R76 D163 S164P69-Q73 WeakPolarHBondContact O-CB 3.49Å; P69-Q73 PolarHBondContact O-N 3.42Å; L70-Q73 PolarHBondContact O-N 3.02Å; Q73-R75 PolarHBondContact O-N 2.94Å; Q73-R76 WeakPolarHBondContact O-CB 3.43Å; Q73-R76 PolarHBondContact O-N 3.43Å; Q73-D163 PolarHBondContact NE2-OD1 2.95Å; Q73-S164 PolarHBondContact O-OG 2.72Å
74F95.7Very high94.8Very high53 Ų5377.7 Ų77.723%0.23241%0.407CS..Hα-helixtrans-64.5-25.3176.3-178.4-112.5000113.7L70 I72 P80 V81 M162 D163 S164L70-F74 WeakPolarHBondContact O-CB 3.2Å; L70-F74 PolarHBondContact O-N 2.77Å; I72-F74 VanDerWaalsContact C-N 3.31Å; I72-F74 PolarHBondContact O-N 2.92Å; F74-P80 HydrophobicContact CD2-CB 4.27Å; F74-P80 HydrophobicContact CE1-CB 4.49Å; F74-P80 HydrophobicContact CE2-CB 3.59Å; F74-P80 HydrophobicContact CZ-CB 3.72Å; F74-V81 WeakPolarHBondContact CE2-O 3.36Å; F74-M162 HydrophobicContact CB-CB 4.34Å; F74-M162 HydrophobicContact CD2-CB 3.92Å; F74-M162 HydrophobicContact CG-CB 4.26Å; F74-D163 VanDerWaalsContact CD2-O 3.28Å; F74-D163 WeakPolarHBondContact CD2-O 3.45Å; F74-S164 WeakPolarHBondContact O-CB 3.36Å
75R96.5Very high94.6Very high190 Ų19075.9 Ų75.972%0.71740%0.399SS*.THydrogen-bonded Turntrans-101.91.4178.7-70.8-170.3-77.3-178.5-4.5113.6L71 I72 Q73L71-R75 WeakPolarHBondContact O-CG 3.2Å; L71-R75 PolarHBondContact O-N 3.03Å; L71-R75 PolarHBondContact O-NE 3.3Å; I72-R75 CarbonylContact O-C 3.52Å; I72-R75 PolarHBondContact O-N 2.88Å; Q73-R75 PolarHBondContact O-N 2.94Å
76R96.5Very high94.1Very high162 Ų16280.1 Ų80.161%0.61142%0.418SS*.SBendtrans-69.1-40.9-171.1-178.5176172.2-177.1-3.8112.3I72 Q73 S164I72-R76 PolarHBondContact O-N 3.43Å; Q73-R76 WeakPolarHBondContact O-CB 3.43Å; Q73-R76 PolarHBondContact O-N 3.43Å; R76-S164 PolarHBondContact N-OG 2.91Å
77F97.2Very high93.5Very high54 Ų5479.2 Ų79.224%0.23741%0.406CS..SBendtrans-124.2167.1-173.1-55.4-73.1000112.5V79 S164 F165 E166F77-V79 VanDerWaalsContact C-N 3.3Å; F77-V79 PolarHBondContact O-N 3.2Å; F77-S164 VanDerWaalsContact CD2-O 3.29Å; F77-S164 WeakPolarHBondContact CD2-O 3.33Å; F77-S164 PolarHBondContact N-OG 3.15Å; F77-F165 WeakPolarHBondContact CB-O 3.36Å; F77-E166 HydrophobicContact CD1-CG 3.44Å; F77-E166 VanDerWaalsContact CD1-CG 3.44Å; F77-E166 HydrophobicContact CE1-CG 3.62Å; F77-E166 WeakPolarHBondContact CE1-OE1 3.4Å; F77-E166 HydrophobicContact CG-CG 4.11Å; F77-E166 HydrophobicContact CZ-CG 4.41Å
78A97.1Very high93.1Very high91 Ų9176.5 Ų76.575%0.75239%0.391SS*.SBendtrans-70.7-20.7-169.200000114.5P80A78-P80 VanDerWaalsContact O-CD 3.22Å; A78-P80 WeakPolarHBondContact O-CD 3.34Å
79V98Very high92.5Very high33 Ų3372 Ų7220%0.237%0.368CS..EExtended strand (participates in β ladder)trans-11291.4-177-173.10000110.1F77 S164 F165 V168 A171F77-V79 VanDerWaalsContact C-N 3.3Å; F77-V79 PolarHBondContact O-N 3.2Å; V79-S164 CarbonylContact O-C 3.49Å; V79-S164 VanDerWaalsContact O-CA 3.24Å; V79-S164 WeakPolarHBondContact O-CA 3.48Å; V79-F165 WeakPolarHBondContact CB-O 3.42Å; V79-F165 PolarHBondContact N-O 3.22Å; V79-F165 PolarHBondContact O-N 2.84Å; V79-V168 HydrophobicContact CG1-CG2 4.27Å; V79-V168 HydrophobicContact CG2-CG2 4.08Å; V79-A171 HydrophobicContact CG1-CB 3.95Å
80P97.2Very high92.2Very high75 Ų7571.1 Ų71.149%0.48736%0.357SS..EExtended strand (participates in β ladder)trans-76.6143.2176.730.6-34.6000111.8F74 A78F74-P80 HydrophobicContact CD2-CB 4.27Å; F74-P80 HydrophobicContact CE1-CB 4.49Å; F74-P80 HydrophobicContact CE2-CB 3.59Å; F74-P80 HydrophobicContact CZ-CB 3.72Å; A78-P80 VanDerWaalsContact O-CD 3.22Å; A78-P80 WeakPolarHBondContact O-CD 3.34Å
81V96.6Very high91.9Very high23 Ų2374 Ų7414%0.13937%0.37CS..EExtended strand (participates in β ladder)trans-127.2130.2175.6177.50000109.7F74 Y161 M162 D163 F165 A171F74-V81 WeakPolarHBondContact CE2-O 3.36Å; V81-Y161 HydrophobicContact CB-CE1 4.45Å; V81-Y161 HydrophobicContact CG1-CD1 4.18Å; V81-Y161 HydrophobicContact CG1-CE1 3.79Å; V81-M162 WeakPolarHBondContact O-CA 3.5Å; V81-D163 PolarHBondContact N-O 3.33Å; V81-D163 PolarHBondContact O-N 3.38Å; V81-F165 HydrophobicContact CB-CE2 4.25Å; V81-F165 HydrophobicContact CG2-CD2 3.86Å; V81-F165 HydrophobicContact CG2-CE2 3.85Å; V81-A171 HydrophobicContact CG2-CB 3.95Å
82I95.4Very high91.6Very high114 Ų11471.8 Ų71.859%0.58536%0.359SS*.EExtended strand (participates in β ladder)trans-127.1139.3170.7-168.5167.3000110Y161 M162I82-Y161 CarbonylContact C-O 3.59Å; I82-Y161 VanDerWaalsContact CA-O 3.28Å; I82-Y161 WeakPolarHBondContact CA-O 3.18Å; I82-M162 HydrophobicContact CD1-CG 4.26Å; I82-M162 HydrophobicContact CG1-CG 4.13Å
83A92.9Very high91.4Very high48 Ų4870.9 Ų70.940%0.39735%0.352SS..EExtended strand (participates in β ladder)trans-144.4153.9171.500000111N160 Y161A83-N160 WeakPolarHBondContact O-CA 3.42Å; A83-Y161 HydrophobicContact CB-CD1 4.22Å; A83-Y161 PolarHBondContact N-O 3.2Å; A83-Y161 PolarHBondContact O-N 3.2Å
84D88.9Confident91.5Very high102 Ų10269 Ų6955%0.54534%0.344SS..EExtended strand (participates in β ladder)trans-114.1135.4177.5-177.151.8000109.8E86 N160D84-E86 PolarHBondContact O-N 3.4Å; D84-N160 PolarHBondContact OD1-ND2 2.91Å
85V85.2Confident91.3Very high31 Ų3169.5 Ų69.519%0.18835%0.352CS..  trans-82.1100.7173-177.20000109R87 M88 F132 F156 D159V85-R87 PolarHBondContact O-N 3.19Å; V85-M88 HydrophobicContact CB-CB 4.46Å; V85-M88 HydrophobicContact CG1-CB 4.31Å; V85-M88 PolarHBondContact O-N 2.85Å; V85-F132 HydrophobicContact CB-CZ 4.32Å; V85-F132 HydrophobicContact CG1-CE2 4.3Å; V85-F132 HydrophobicContact CG1-CZ 4.04Å; V85-F132 HydrophobicContact CG2-CZ 4.46Å; V85-F156 HydrophobicContact CG2-CE1 3.94Å; V85-D159 PolarHBondContact N-O 2.98Å
86E82Confident91.2Very high115 Ų11566.5 Ų66.554%0.53735%0.35SS..THydrogen-bonded Turntrans-58125.3-178.6-174.6177.5-160.600111.2D84 M88 Q91D84-E86 PolarHBondContact O-N 3.4Å; E86-M88 VanDerWaalsContact C-N 3.31Å; E86-M88 PolarHBondContact O-N 3.27Å; E86-Q91 PolarHBondContact O-NE2 3.43Å
87R81.3Confident91.1Very high104 Ų10464.4 Ų64.439%0.39235%0.347SS..THydrogen-bonded Turntrans53.844.9177.5-62.7176.2-166.292.517.8112.4V85 F89 H90V85-R87 PolarHBondContact O-N 3.19Å; R87-F89 VanDerWaalsContact C-N 3.28Å; R87-F89 PolarHBondContact O-N 3.35Å; R87-H90 HydrophobicContact CB-CB 4.21Å; R87-H90 PolarHBondContact O-N 2.98Å
88M84.1Confident91Very high11 Ų1164.3 Ų64.35%0.05435%0.349CS..G310 helixtrans-32.2-53.5-178.267.4175.5-68.700115.1V85 E86 H90 Q91 F132 V158 D159V85-M88 HydrophobicContact CB-CB 4.46Å; V85-M88 HydrophobicContact CG1-CB 4.31Å; V85-M88 PolarHBondContact O-N 2.85Å; E86-M88 VanDerWaalsContact C-N 3.31Å; E86-M88 PolarHBondContact O-N 3.27Å; M88-H90 VanDerWaalsContact C-N 3.35Å; M88-H90 PolarHBondContact O-N 2.9Å; M88-Q91 WeakPolarHBondContact O-CB 3.42Å; M88-Q91 PolarHBondContact O-N 3.49Å; M88-Q91 VanDerWaalsContact O-N 3.15Å; M88-F132 HydrophobicContact CB-CD2 3.88Å; M88-F132 HydrophobicContact CB-CE1 4.09Å; M88-F132 HydrophobicContact CB-CE2 3.45Å; M88-F132 VanDerWaalsContact CB-CE2 3.45Å; M88-F132 HydrophobicContact CB-CG 4.4Å; M88-F132 HydrophobicContact CB-CZ 3.55Å; M88-F132 HydrophobicContact CE-CB 4.04Å; M88-F132 HydrophobicContact CE-CD1 3.19Å; M88-F132 HydrophobicContact CE-CD2 4.18Å; M88-F132 HydrophobicContact CE-CE1 3.6Å; M88-F132 HydrophobicContact CE-CG 3.5Å; M88-F132 HydrophobicContact CE-CZ 4.26Å; M88-F132 WeakPolarHBondContact O-CD2 3.38Å; M88-F132 VanDerWaalsContact O-CE2 3.22Å; M88-F132 WeakPolarHBondContact O-CE2 3.21Å; M88-V158 HydrophobicContact CE-CG1 3.81Å; M88-V158 HydrophobicContact SD-CG1 4.05Å; M88-D159 HydrophobicContact CB-CB 4.3Å; M88-D159 HydrophobicContact CG-CB 4.43Å; M88-D159 HydrophobicContact SD-CB 3.71Å
89F84.4Confident90.9Very high25 Ų2560.7 Ų60.711%0.1132%0.316CS..G310 helixtrans-68.8-33.7-175-59.7-68.6000112.6R87 Q91 V92 Q121 F123 A128 F132R87-F89 VanDerWaalsContact C-N 3.28Å; R87-F89 PolarHBondContact O-N 3.35Å; F89-Q91 PolarHBondContact O-N 3.07Å; F89-V92 PolarHBondContact O-N 3.39Å; F89-Q121 CarbonylContact C-O 3.51Å; F89-Q121 VanDerWaalsContact C-O 3.26Å; F89-Q121 HydrophobicContact CB-CB 4.16Å; F89-Q121 WeakPolarHBondContact CB-O 3.44Å; F89-Q121 WeakPolarHBondContact O-CB 3.41Å; F89-Q121 PolarHBondContact O-N 2.96Å; F89-F123 HydrophobicContact CD2-CB 4.19Å; F89-F123 HydrophobicContact CD2-CD2 4.17Å; F89-F123 HydrophobicContact CE2-CB 4.41Å; F89-F123 AromaticContact CE2-CD2 3.54Å; F89-F123 HydrophobicContact CE2-CD2 3.54Å; F89-F123 HydrophobicContact CE2-CE2 4.34Å; F89-F123 HydrophobicContact CE2-CG 4.47Å; F89-F123 HydrophobicContact CZ-CD2 4.15Å; F89-A128 HydrophobicContact CD1-CB 3.71Å; F89-A128 HydrophobicContact CE1-CB 3.71Å; F89-F132 HydrophobicContact CD1-CB 4.4Å; F89-F132 HydrophobicContact CE1-CB 4.44Å
90H87.5Confident90.9Very high56 Ų5659.4 Ų59.426%0.25931%0.309SS..G310 helixtrans-71.3-11.4178.5-57.9154.3000112.9I5 R87 M88 V92 R120 Q121I5-H90 HydrophobicContact CD1-CB 4.03Å; I5-H90 HydrophobicContact CG1-CB 4.31Å; I5-H90 HydrophobicContact CG2-CB 4.48Å; R87-H90 HydrophobicContact CB-CB 4.21Å; R87-H90 PolarHBondContact O-N 2.98Å; M88-H90 VanDerWaalsContact C-N 3.35Å; M88-H90 PolarHBondContact O-N 2.9Å; H90-V92 VanDerWaalsContact C-N 3.3Å; H90-R120 WeakPolarHBondContact O-CB 3.09Å; H90-R120 VanDerWaalsContact O-CD 3.28Å; H90-R120 WeakPolarHBondContact O-CD 3.27Å; H90-R120 WeakPolarHBondContact O-CG 3.31Å; H90-Q121 PolarHBondContact CD2-O 2.89Å
91Q87.5Confident90.9Very high65 Ų6558.3 Ų58.330%0.30430%0.296SS..G310 helixtrans-77.7-16.3175.1-54.7-57.5-8.600112.9E86 M88 F89 R120 D186E86-Q91 PolarHBondContact O-NE2 3.43Å; M88-Q91 WeakPolarHBondContact O-CB 3.42Å; M88-Q91 PolarHBondContact O-N 3.49Å; M88-Q91 VanDerWaalsContact O-N 3.15Å; F89-Q91 PolarHBondContact O-N 3.07Å; Q91-R120 PolarHBondContact O-NH1 3.18Å; Q91-D186 PolarHBondContact OE1-OD1 3.17Å
92V90.2Very high90.9Very high9 Ų957.6 Ų57.66%0.05529%0.292CS..SBendtrans-103.2125.6-174.6-175.60000110.5F89 H90 R120 Q121 F132 A135F89-V92 PolarHBondContact O-N 3.39Å; H90-V92 VanDerWaalsContact C-N 3.3Å; V92-R120 CarbonylContact O-C 3.46Å; V92-R120 WeakPolarHBondContact O-CA 3.36Å; V92-R120 WeakPolarHBondContact O-CB 3.36Å; V92-R120 WeakPolarHBondContact O-CD 3.41Å; V92-Q121 HydrophobicContact CB-CB 4.39Å; V92-Q121 HydrophobicContact CB-CG 3.84Å; V92-Q121 HydrophobicContact CG1-CG 3.84Å; V92-Q121 PolarHBondContact O-N 2.91Å; V92-F132 HydrophobicContact CG2-CB 4.27Å; V92-F132 HydrophobicContact CG2-CD2 3.74Å; V92-F132 HydrophobicContact CG2-CG 4.48Å; V92-A135 HydrophobicContact CG1-CB 4.22Å; V92-A135 HydrophobicContact CG2-CB 3.92Å
93Q92.4Very high90.9Very high83 Ų8352.3 Ų52.339%0.38826%0.264SS..BIsolated β-bridgetrans-67.9145.8175.1-65.4-167.49.400112.4G187 V189Q93-G187 PolarHBondContact NE2-O 3.28Å; Q93-V189 WeakPolarHBondContact CB-OXT 3.4Å; Q93-V189 WeakPolarHBondContact CG-O 3.43Å; Q93-V189 VanDerWaalsContact N-C 3.34Å; Q93-V189 PolarHBondContact N-O 3.09Å; Q93-V189 PolarHBondContact N-OXT 3.42Å
94V93.9Very high91.1Very high6 Ų650 Ų504%0.03625%0.245CC..PPolyproline II helixtrans-96.7126.6166.2175.60000107.2L96 D98 Q99 L102 T119 R120 Q121V94-L96 PolarHBondContact O-N 3.1Å; V94-D98 HydrophobicContact CG1-CB 4.01Å; V94-Q99 HydrophobicContact CB-CG 4.05Å; V94-Q99 HydrophobicContact CG1-CG 3.85Å; V94-Q99 PolarHBondContact O-NE2 3.35Å; V94-L102 HydrophobicContact CB-CD1 4.25Å; V94-L102 HydrophobicContact CG1-CD1 3.94Å; V94-L102 HydrophobicContact CG2-CD1 3.57Å; V94-T119 PolarHBondContact N-O 3.2Å; V94-R120 VanDerWaalsContact CG2-C 3.43Å; V94-Q121 HydrophobicContact CG2-CG 4.11Å
95P93.5Very high91.5Very high62 Ų6249 Ų4940%0.40324%0.24SC..PPolyproline II helixtrans-49.7137.5176.1-27.834.6000111.6H97 D98 Q99P95-H97 VanDerWaalsContact CB-CE1 3.43Å; P95-H97 WeakPolarHBondContact CB-CE1 3.34Å; P95-H97 PolarHBondContact O-N 3.01Å; P95-D98 PolarHBondContact O-N 3.41Å; P95-Q99 PolarHBondContact O-N 3.21Å
96L93.4Very high91.9Very high128 Ų12851.7 Ų51.767%0.6725%0.246SC*.THydrogen-bonded Turntrans-52.5-35.7-172.4-176.963.3000113.4V94 D98V94-L96 PolarHBondContact O-N 3.1Å; L96-D98 VanDerWaalsContact C-N 3.28Å; L96-D98 PolarHBondContact O-N 3.25Å
97H94Very high92.4Very high118 Ų11849.1 Ų49.155%0.54624%0.239SC..THydrogen-bonded Turntrans-75.5-10.5-179.661.8-93.1000114.7P95P95-H97 VanDerWaalsContact CB-CE1 3.43Å; P95-H97 WeakPolarHBondContact CB-CE1 3.34Å; P95-H97 PolarHBondContact O-N 3.01Å
98D95.3Very high92.6Very high52 Ų5249.9 Ų49.928%0.27825%0.247SC..THydrogen-bonded Turntrans-109-14.4179-71.2-24.3000113.2R20 V94 P95 L96 S100 F101R20-D98 IonicContact NH2-OD1 3.75Å; R20-D98 PolarHBondContact NH2-OD1 3.39Å; V94-D98 HydrophobicContact CG1-CB 4.01Å; P95-D98 PolarHBondContact O-N 3.41Å; L96-D98 VanDerWaalsContact C-N 3.28Å; L96-D98 PolarHBondContact O-N 3.25Å; D98-S100 PolarHBondContact O-N 3.26Å; D98-S100 VanDerWaalsContact O-N 3.11Å; D98-F101 WeakPolarHBondContact O-CB 3.42Å; D98-F101 PolarHBondContact O-N 2.62Å
99Q96Very high92.7Very high15 Ų1552.7 Ų52.77%0.0728%0.279CS..G310 helixtrans-58.2-28.5-179.7-66.5-179.910.800113.2V94 P95 F101 L102 Q117 M118V94-Q99 HydrophobicContact CB-CG 4.05Å; V94-Q99 HydrophobicContact CG1-CG 3.85Å; V94-Q99 PolarHBondContact O-NE2 3.35Å; P95-Q99 PolarHBondContact O-N 3.21Å; Q99-F101 PolarHBondContact O-N 3Å; Q99-L102 PolarHBondContact O-N 3.06Å; Q99-Q117 HydrophobicContact CB-CG 4.42Å; Q99-Q117 VanDerWaalsContact CB-NE2 3.25Å; Q99-M118 WeakPolarHBondContact CB-O 3.38Å; Q99-M118 WeakPolarHBondContact CG-O 3.47Å
100S96.8Very high92.9Very high5 Ų560 Ų604%0.03532%0.318CS..G310 helixtrans-66.7-15.8178.257.40000114R20 W22 D98 L102 R103R20-S100 VanDerWaalsContact O-CB 3.24Å; R20-S100 WeakPolarHBondContact O-CB 3.22Å; R20-S100 PolarHBondContact O-OG 3.4Å; W22-S100 PolarHBondContact N-O 3.34Å; W22-S100 VanDerWaalsContact N-O 3.1Å; D98-S100 PolarHBondContact O-N 3.26Å; D98-S100 VanDerWaalsContact O-N 3.11Å; S100-L102 VanDerWaalsContact C-N 3.33Å; S100-R103 WeakPolarHBondContact O-CD 3.44Å
101F96.7Very high93Very high52 Ų5262.7 Ų62.723%0.22833%0.332CS..G310 helixtrans-82.6-11171-66.9-72.4000113.6R20 W22 L53 D98 Q99R20-F101 HydrophobicContact CB-CE1 4.31Å; R20-F101 HydrophobicContact CB-CE2 4.19Å; R20-F101 HydrophobicContact CB-CZ 3.71Å; R20-F101 HydrophobicContact CG-CE2 4.41Å; R20-F101 HydrophobicContact CG-CZ 3.82Å; W22-F101 HydrophobicContact CB-CB 4.28Å; W22-F101 HydrophobicContact CB-CD1 3.87Å; W22-F101 CarbonylContact O-C 3.58Å; L53-F101 HydrophobicContact CD1-CB 4.16Å; D98-F101 WeakPolarHBondContact O-CB 3.42Å; D98-F101 PolarHBondContact O-N 2.62Å; Q99-F101 PolarHBondContact O-N 3Å
102L96.8Very high93.2Very high8 Ų863.3 Ų63.34%0.04235%0.347CS..G310 helixtrans-110.435.8179.6-52.3179.4000110.9L24 L53 V94 Q99 S100 M118 L125L24-L102 HydrophobicContact CD1-CB 4.18Å; L24-L102 HydrophobicContact CD1-CD2 3.78Å; L53-L102 HydrophobicContact CD2-CD2 3.85Å; V94-L102 HydrophobicContact CB-CD1 4.25Å; V94-L102 HydrophobicContact CG1-CD1 3.94Å; V94-L102 HydrophobicContact CG2-CD1 3.57Å; Q99-L102 PolarHBondContact O-N 3.06Å; S100-L102 VanDerWaalsContact C-N 3.33Å; L102-M118 HydrophobicContact CB-CB 3.79Å; L102-M118 HydrophobicContact CB-CG 4.33Å; L102-M118 HydrophobicContact CD1-CB 4.11Å; L102-M118 PolarHBondContact O-N 3.4Å; L102-L125 HydrophobicContact CD1-CD1 4.34Å; L102-L125 HydrophobicContact CD2-CD1 3.89Å; L102-L125 HydrophobicContact CD2-CD2 3.76Å; L102-L125 HydrophobicContact CD2-CG 4.44Å
103R97.1Very high93.4Very high3 Ų366.7 Ų66.71%0.01137%0.369CS..EExtended strand (participates in β ladder)trans-75.3155.1174.5-72.4167.7174.2-168.11.3110.9E13 L14 L16 W22 Y23 L24 S100 T115 F116 Q117E13-R103 PolarHBondContact O-NH2 3.22Å; L14-R103 PolarHBondContact O-NH1 2.91Å; L16-R103 PolarHBondContact O-NH2 2.84Å; W22-R103 WeakPolarHBondContact O-CB 3.39Å; W22-R103 PolarHBondContact O-N 3.11Å; W22-R103 VanDerWaalsContact O-N 3.17Å; Y23-R103 CarbonylContact C-O 3.58Å; Y23-R103 WeakPolarHBondContact CA-O 3.16Å; Y23-R103 HydrophobicContact CD1-CB 3.94Å; Y23-R103 HydrophobicContact CE1-CB 4.02Å; Y23-R103 HydrophobicContact CG-CB 4.33Å; L24-R103 PolarHBondContact N-O 2.79Å; S100-R103 WeakPolarHBondContact O-CD 3.44Å; R103-T115 HydrophobicContact CB-CG2 4.24Å; R103-T115 HydrophobicContact CG-CG2 4.18Å; R103-F116 CarbonylContact C-O 3.56Å; R103-F116 WeakPolarHBondContact CA-O 3.42Å; R103-F116 WeakPolarHBondContact CB-O 3.45Å; R103-Q117 HydrophobicContact CG-CB 3.73Å
104F96.6Very high93.6Very high0 Ų065.2 Ų65.20%036%0.363CS..EExtended strand (participates in β ladder)trans-151.6156.4171.160.8-81.9000109.1M1 A6 F42 W106 F116 M118M1-F104 HydrophobicContact CE-CE1 4.41Å; M1-F104 HydrophobicContact CE-CE2 3.64Å; M1-F104 HydrophobicContact CE-CZ 3.32Å; M1-F104 HydrophobicContact SD-CZ 3.91Å; A6-F104 HydrophobicContact CB-CE1 4.09Å; A6-F104 HydrophobicContact CB-CZ 4.07Å; F42-F104 HydrophobicContact CE1-CB 3.83Å; F42-F104 AromaticContact CE1-CD1 3.83Å; F42-F104 HydrophobicContact CE1-CD1 3.83Å; F42-F104 HydrophobicContact CE1-CD2 4.2Å; F42-F104 HydrophobicContact CE1-CE1 4.48Å; F42-F104 AromaticContact CE1-CG 3.69Å; F42-F104 HydrophobicContact CE1-CG 3.69Å; F42-F104 HydrophobicContact CZ-CD1 4.23Å; F42-F104 HydrophobicContact CZ-CD2 4.46Å; F42-F104 HydrophobicContact CZ-CE1 4.45Å; F42-F104 HydrophobicContact CZ-CG 4.26Å; F104-W106 HydrophobicContact CD2-CB 4.33Å; F104-W106 HydrophobicContact CE2-CB 4.1Å; F104-F116 HydrophobicContact CD1-CB 4.21Å; F104-F116 HydrophobicContact CD2-CB 4.23Å; F104-F116 HydrophobicContact CE1-CB 3.6Å; F104-F116 HydrophobicContact CE2-CB 3.63Å; F104-F116 HydrophobicContact CE2-CD2 4.43Å; F104-F116 HydrophobicContact CE2-CG 4.18Å; F104-F116 HydrophobicContact CG-CB 4.48Å; F104-F116 HydrophobicContact CZ-CB 3.26Å; F104-F116 HydrophobicContact CZ-CG 4.06Å; F104-F116 PolarHBondContact N-O 3.06Å; F104-F116 PolarHBondContact O-N 3.33Å; F104-M118 HydrophobicContact CD1-CE 4.24Å; F104-M118 HydrophobicContact CD1-CG 4.33Å; F104-M118 HydrophobicContact CE1-CE 3.69Å; F104-M118 HydrophobicContact CE1-CG 4.02Å; F104-M118 HydrophobicContact CE1-SD 3.98Å; F104-M118 HydrophobicContact CZ-CE 4.15Å
105L96.1Very high93.7Very high82 Ų8265.8 Ų65.843%0.42937%0.366SS..EExtended strand (participates in β ladder)trans-91.1138174.5-63.6174.6000109Y23 H26 P113 Q114Y23-L105 HydrophobicContact CD1-CD2 4.16Å; Y23-L105 HydrophobicContact CD1-CG 4.02Å; Y23-L105 HydrophobicContact CE1-CD2 3.72Å; Y23-L105 HydrophobicContact CE1-CG 4.11Å; H26-L105 PolarHBondContact CE1-O 3.39Å; H26-L105 PolarHBondContact NE2-O 3.3Å; L105-P113 HydrophobicContact CB-CB 4.21Å; L105-Q114 CarbonylContact C-O 3.54Å; L105-Q114 WeakPolarHBondContact CA-O 3.22Å
106W95.1Very high93.8Very high86 Ų8664.1 Ų64.133%0.32635%0.353SS..EExtended strand (participates in β ladder)trans-136.9139.3175.8-175.7-93.1000110.1H26 I40 F104 Q114 F116H26-W106 AromaticContact NE2-CE3 3.97Å; I40-W106 HydrophobicContact CD1-CH2 3.82Å; I40-W106 HydrophobicContact CD1-CZ3 3.57Å; I40-W106 HydrophobicContact CG1-CZ3 4.42Å; F104-W106 HydrophobicContact CD2-CB 4.33Å; F104-W106 HydrophobicContact CE2-CB 4.1Å; W106-Q114 PolarHBondContact N-O 3.02Å; W106-Q114 PolarHBondContact O-N 2.93Å; W106-F116 HydrophobicContact CB-CD2 3.63Å; W106-F116 HydrophobicContact CB-CE2 3.74Å; W106-F116 HydrophobicContact CG-CE2 4.34Å
107T91.8Very high93.9Very high61 Ų6158.2 Ų58.237%0.37432%0.322SS..  trans-120.3133-178.1-50.90000109.4G109 E111T107-G109 WeakPolarHBondContact CG2-O 3.44Å; T107-E111 WeakPolarHBondContact CG2-O 3.32Å
108E85.6Confident94Very high121 Ų12152.8 Ų52.857%0.56530%0.297SS*.  trans-105.1113.6170.2-64.7-172.6-17900108.5D110 E111E108-D110 PolarHBondContact O-N 3.27Å; E108-E111 WeakPolarHBondContact O-CB 3.45Å; E108-E111 PolarHBondContact O-N 2.82Å
109G86.4Confident94Very high70 Ų7051.4 Ų51.472%0.72229%0.29SS*.THydrogen-bonded Turntrans61.7-130.2-175.900000112.4T107T107-G109 WeakPolarHBondContact CG2-O 3.44Å
110D87.9Confident93.9Very high177 Ų17752.6 Ų52.695%0.94729%0.294SS*.THydrogen-bonded Turntrans-99.213.4-178.3-61.2-40000113E108E108-D110 PolarHBondContact O-N 3.27Å
111E90Very high93.7Very high114 Ų11453.2 Ų53.253%0.53330%0.296SS..SBendtrans-69167.4177.2-65.4-169.6176.300112.5T107 E108T107-E111 WeakPolarHBondContact CG2-O 3.32Å; E108-E111 WeakPolarHBondContact O-CB 3.45Å; E108-E111 PolarHBondContact O-N 2.82Å
112A92.3Very high93.5Very high77 Ų7750.8 Ų50.864%0.63629%0.286SS*.PPolyproline II helixtrans-66.5142.1170.500000110.5Q114A112-Q114 PolarHBondContact O-N 3.27Å
113P94.1Very high93.1Very high80 Ų8057.2 Ų57.252%0.51931%0.313SS..PPolyproline II helixtrans-57.4132.9176.6-2230.8000112L105L105-P113 HydrophobicContact CB-CB 4.21Å
114Q95.4Very high92.8Very high53 Ų5358.5 Ų58.525%0.24833%0.328CS..EExtended strand (participates in β ladder)trans-105148.7178-61-179.5-4.900110.4K8 L105 W106 A112 F116K8-Q114 VanDerWaalsContact CE-OE1 3.32Å; K8-Q114 VanDerWaalsContact NZ-NE2 3.19Å; L105-Q114 CarbonylContact C-O 3.54Å; L105-Q114 WeakPolarHBondContact CA-O 3.22Å; W106-Q114 PolarHBondContact N-O 3.02Å; W106-Q114 PolarHBondContact O-N 2.93Å; A112-Q114 PolarHBondContact O-N 3.27Å; Q114-F116 HydrophobicContact CB-CD2 4.46Å; Q114-F116 HydrophobicContact CB-CE2 3.85Å
115T96.7Very high92.7Very high17 Ų1758.9 Ų58.910%0.10433%0.33CS..EExtended strand (participates in β ladder)trans-88.4127.5178.1-58.80000111.2V9 L14 Y23 R103V9-T115 HydrophobicContact CB-CG2 3.95Å; V9-T115 HydrophobicContact CG2-CG2 3.83Å; V9-T115 PolarHBondContact N-O 3.26Å; L14-T115 HydrophobicContact CD2-CG2 4.19Å; Y23-T115 HydrophobicContact CE1-CG2 3.67Å; Y23-T115 PolarHBondContact OH-OG1 2.95Å; R103-T115 HydrophobicContact CB-CG2 4.24Å; R103-T115 HydrophobicContact CG-CG2 4.18Å
116F96.3Very high92.6Very high28 Ų2861.3 Ų61.312%0.12333%0.333CS..EExtended strand (participates in β ladder)trans-118.5160.3169.7-69.1-99.2000109.6R7 K8 R103 F104 W106 Q114R7-F116 CarbonylContact O-C 3.54Å; R7-F116 WeakPolarHBondContact O-CA 3.44Å; K8-F116 HydrophobicContact CB-CD1 4.07Å; K8-F116 HydrophobicContact CB-CE1 3.8Å; K8-F116 HydrophobicContact CB-CZ 4.37Å; K8-F116 HydrophobicContact CD-CZ 4.45Å; K8-F116 HydrophobicContact CG-CE1 4.29Å; K8-F116 HydrophobicContact CG-CZ 4.39Å; R103-F116 CarbonylContact C-O 3.56Å; R103-F116 WeakPolarHBondContact CA-O 3.42Å; R103-F116 WeakPolarHBondContact CB-O 3.45Å; F104-F116 HydrophobicContact CD1-CB 4.21Å; F104-F116 HydrophobicContact CD2-CB 4.23Å; F104-F116 HydrophobicContact CE1-CB 3.6Å; F104-F116 HydrophobicContact CE2-CB 3.63Å; F104-F116 HydrophobicContact CE2-CD2 4.43Å; F104-F116 HydrophobicContact CE2-CG 4.18Å; F104-F116 HydrophobicContact CG-CB 4.48Å; F104-F116 HydrophobicContact CZ-CB 3.26Å; F104-F116 HydrophobicContact CZ-CG 4.06Å; F104-F116 PolarHBondContact N-O 3.06Å; F104-F116 PolarHBondContact O-N 3.33Å; W106-F116 HydrophobicContact CB-CD2 3.63Å; W106-F116 HydrophobicContact CB-CE2 3.74Å; W106-F116 HydrophobicContact CG-CE2 4.34Å; Q114-F116 HydrophobicContact CB-CD2 4.46Å; Q114-F116 HydrophobicContact CB-CE2 3.85Å
117Q95.9Very high92.5Very high4 Ų458.1 Ų58.12%0.01932%0.324CS..EExtended strand (participates in β ladder)trans-134.8142.1170.671.6-179.141.400111.1A6 R7 V9 Q99 R103A6-Q117 CarbonylContact C-O 3.58Å; A6-Q117 WeakPolarHBondContact CA-O 3.24Å; A6-Q117 WeakPolarHBondContact CB-O 3.31Å; R7-Q117 HydrophobicContact CG-CG 3.82Å; R7-Q117 PolarHBondContact N-O 3.49Å; R7-Q117 PolarHBondContact O-N 2.89Å; V9-Q117 HydrophobicContact CG2-CB 3.88Å; V9-Q117 HydrophobicContact CG2-CG 3.83Å; Q99-Q117 HydrophobicContact CB-CG 4.42Å; Q99-Q117 VanDerWaalsContact CB-NE2 3.25Å; R103-Q117 HydrophobicContact CG-CB 3.73Å
118M95.8Very high92.6Very high4 Ų455.3 Ų55.32%0.0231%0.307CS..EExtended strand (participates in β ladder)trans-72.5133.3175-64.9-67.6-171.800110.8I5 A6 F42 Q99 L102 F104 R120 V122I5-M118 HydrophobicContact CG2-SD 4.06Å; A6-M118 HydrophobicContact CB-SD 3.77Å; F42-M118 HydrophobicContact CD2-CE 4.06Å; F42-M118 HydrophobicContact CE1-CE 3.89Å; F42-M118 HydrophobicContact CE2-CE 3.14Å; F42-M118 HydrophobicContact CZ-CE 3.04Å; Q99-M118 WeakPolarHBondContact CB-O 3.38Å; Q99-M118 WeakPolarHBondContact CG-O 3.47Å; L102-M118 HydrophobicContact CB-CB 3.79Å; L102-M118 HydrophobicContact CB-CG 4.33Å; L102-M118 HydrophobicContact CD1-CB 4.11Å; L102-M118 PolarHBondContact O-N 3.4Å; F104-M118 HydrophobicContact CD1-CE 4.24Å; F104-M118 HydrophobicContact CD1-CG 4.33Å; F104-M118 HydrophobicContact CE1-CE 3.69Å; F104-M118 HydrophobicContact CE1-CG 4.02Å; F104-M118 HydrophobicContact CE1-SD 3.98Å; F104-M118 HydrophobicContact CZ-CE 4.15Å; M118-R120 WeakPolarHBondContact CB-O 3.47Å; M118-V122 HydrophobicContact CB-CG1 4.22Å; M118-V122 HydrophobicContact CE-CG1 3.81Å; M118-V122 HydrophobicContact CG-CG1 3.58Å; M118-V122 HydrophobicContact SD-CG1 3.89Å
119T95.2Very high92.8Very high23 Ų2352.6 Ų52.614%0.14130%0.3CS..SBendtrans-97.4-11.1171.952.40000111.4G4 I5 R7 V94G4-T119 PolarHBondContact O-OG1 3.12Å; I5-T119 PolarHBondContact O-N 3.42Å; I5-T119 PolarHBondContact O-OG1 2.98Å; R7-T119 HydrophobicContact CB-CG2 4.37Å; R7-T119 HydrophobicContact CG-CG2 4.1Å; V94-T119 PolarHBondContact N-O 3.2Å
120R93.4Very high93.1Very high39 Ų3949.8 Ų49.815%0.14727%0.27CS..BIsolated β-bridgetrans-124.9159179.4-56.8-66.6-176.2155.3-4.4111.1I5 H90 Q91 V92 V94 M118 V189I5-R120 HydrophobicContact CG2-CB 4.38Å; I5-R120 PolarHBondContact O-N 2.79Å; H90-R120 WeakPolarHBondContact O-CB 3.09Å; H90-R120 VanDerWaalsContact O-CD 3.28Å; H90-R120 WeakPolarHBondContact O-CD 3.27Å; H90-R120 WeakPolarHBondContact O-CG 3.31Å; Q91-R120 PolarHBondContact O-NH1 3.18Å; V92-R120 CarbonylContact O-C 3.46Å; V92-R120 WeakPolarHBondContact O-CA 3.36Å; V92-R120 WeakPolarHBondContact O-CB 3.36Å; V92-R120 WeakPolarHBondContact O-CD 3.41Å; V94-R120 VanDerWaalsContact CG2-C 3.43Å; M118-R120 WeakPolarHBondContact CB-O 3.47Å; R120-V189 PolarHBondContact NH1-O 2.8Å
121Q92.6Very high93.3Very high19 Ų1943.2 Ų43.29%0.08924%0.238CC..  trans-62.1146.8179-64.4-76.9-17.800110.5F89 H90 V92 V94 L125F89-Q121 CarbonylContact C-O 3.51Å; F89-Q121 VanDerWaalsContact C-O 3.26Å; F89-Q121 HydrophobicContact CB-CB 4.16Å; F89-Q121 WeakPolarHBondContact CB-O 3.44Å; F89-Q121 WeakPolarHBondContact O-CB 3.41Å; F89-Q121 PolarHBondContact O-N 2.96Å; H90-Q121 PolarHBondContact CD2-O 2.89Å; V92-Q121 HydrophobicContact CB-CB 4.39Å; V92-Q121 HydrophobicContact CB-CG 3.84Å; V92-Q121 HydrophobicContact CG1-CG 3.84Å; V92-Q121 PolarHBondContact O-N 2.91Å; V94-Q121 HydrophobicContact CG2-CG 4.11Å; Q121-L125 VanDerWaalsContact OE1-CD1 3.23Å
122V92.2Very high93.4Very high1 Ų138 Ų381%0.00621%0.213CC..  trans-115.4154175.5-64.10000111.2L24 F42 M118 L125L24-V122 HydrophobicContact CD1-CG2 4.19Å; F42-V122 HydrophobicContact CB-CG2 4.24Å; F42-V122 HydrophobicContact CD2-CB 4.18Å; F42-V122 HydrophobicContact CD2-CG1 4.08Å; F42-V122 HydrophobicContact CE2-CG1 4.41Å; F42-V122 HydrophobicContact CG-CG2 4.47Å; M118-V122 HydrophobicContact CB-CG1 4.22Å; M118-V122 HydrophobicContact CE-CG1 3.81Å; M118-V122 HydrophobicContact CG-CG1 3.58Å; M118-V122 HydrophobicContact SD-CG1 3.89Å; V122-L125 HydrophobicContact CG2-CD1 3.85Å; V122-L125 HydrophobicContact CG2-CD2 4.34Å; V122-L125 HydrophobicContact CG2-CG 3.84Å
123F88.3Confident93.4Very high142 Ų14234.5 Ų34.562%0.62318%0.184SC*.THydrogen-bonded Turntrans-61.7144.4168.7-174.1-103.2000110.6F89F89-F123 HydrophobicContact CD2-CB 4.19Å; F89-F123 HydrophobicContact CD2-CD2 4.17Å; F89-F123 HydrophobicContact CE2-CB 4.41Å; F89-F123 AromaticContact CE2-CD2 3.54Å; F89-F123 HydrophobicContact CE2-CD2 3.54Å; F89-F123 HydrophobicContact CE2-CE2 4.34Å; F89-F123 HydrophobicContact CE2-CG 4.47Å; F89-F123 HydrophobicContact CZ-CD2 4.15Å
124G90.5Very high93.3Very high30 Ų3037.5 Ų37.531%0.30919%0.186SC..THydrogen-bonded Turntrans100.7-12.6178.900000114.7N54N54-G124 PolarHBondContact ND2-O 3.3Å; N54-G124 PolarHBondContact OD1-O 2.99Å
125L94.6Very high93.1Very high8 Ų835.3 Ų35.34%0.04218%0.177CC..  trans-76.3132.3173.2-58.3172.9000111A44 L53 N54 L57 L102 Q121 V122 S127 A128A44-L125 HydrophobicContact CB-CD2 3.66Å; L53-L125 HydrophobicContact CD2-CD2 3.67Å; N54-L125 WeakPolarHBondContact OD1-CA 3.35Å; L57-L125 HydrophobicContact CD1-CB 4.28Å; L57-L125 HydrophobicContact CD1-CD2 4Å; L102-L125 HydrophobicContact CD1-CD1 4.34Å; L102-L125 HydrophobicContact CD2-CD1 3.89Å; L102-L125 HydrophobicContact CD2-CD2 3.76Å; L102-L125 HydrophobicContact CD2-CG 4.44Å; Q121-L125 VanDerWaalsContact OE1-CD1 3.23Å; V122-L125 HydrophobicContact CG2-CD1 3.85Å; V122-L125 HydrophobicContact CG2-CD2 4.34Å; V122-L125 HydrophobicContact CG2-CG 3.84Å; L125-S127 PolarHBondContact O-N 3.24Å; L125-A128 HydrophobicContact CB-CB 3.83Å; L125-A128 WeakPolarHBondContact O-CB 3.41Å; L125-A128 PolarHBondContact O-N 2.83Å; L125-A128 VanDerWaalsContact O-N 3.11Å
126R94.8Very high92.9Very high133 Ų13335.1 Ų35.150%0.50218%0.175SC..THydrogen-bonded Turntrans-59.9-31.4-179.9-173.3177.7-177.7-177.63.7113.3N54 L57 K59N54-R126 HydrophobicContact CB-CB 4.19Å; N54-R126 VanDerWaalsContact O-CD 3.32Å; N54-R126 WeakPolarHBondContact O-CD 3.24Å; N54-R126 WeakPolarHBondContact OD1-CB 3.31Å; N54-R126 PolarHBondContact OD1-N 3.47Å; L57-R126 HydrophobicContact CB-CB 4.38Å; K59-R126 HydrophobicContact CB-CG 4.31Å
127S93.7Very high92.7Very high20 Ų2035 Ų3514%0.1417%0.174CC..THydrogen-bonded Turntrans-89.5-12.3179.6560000114R58 L125 A130 S131R58-S127 VanDerWaalsContact O-CB 3.27Å; R58-S127 WeakPolarHBondContact O-CB 3.34Å; L125-S127 PolarHBondContact O-N 3.24Å; S127-A130 PolarHBondContact O-N 3.45Å; S127-S131 WeakPolarHBondContact O-CB 3.37Å; S127-S131 PolarHBondContact O-N 2.9Å; S127-S131 PolarHBondContact O-OG 3.03Å
128A92Very high92.6Very high1 Ų138.1 Ų38.11%0.00819%0.189CC..Hα-helixtrans-62.9-41.2-171.700000113.9F89 L125 A130 S131 F132F89-A128 HydrophobicContact CD1-CB 3.71Å; F89-A128 HydrophobicContact CE1-CB 3.71Å; L125-A128 HydrophobicContact CB-CB 3.83Å; L125-A128 WeakPolarHBondContact O-CB 3.41Å; L125-A128 PolarHBondContact O-N 2.83Å; L125-A128 VanDerWaalsContact O-N 3.11Å; A128-A130 PolarHBondContact O-N 2.98Å; A128-S131 PolarHBondContact O-N 3.33Å; A128-F132 WeakPolarHBondContact O-CB 3.27Å; A128-F132 PolarHBondContact O-N 2.94Å
129P91.2Very high92.4Very high64 Ų6438.3 Ų38.342%0.41619%0.19SC..Hα-helixtrans-59.8-45.7178.1-26.135.6000113.1M133P129-M133 WeakPolarHBondContact O-CB 3.4Å; P129-M133 VanDerWaalsContact O-CG 3.29Å; P129-M133 WeakPolarHBondContact O-CG 3.29Å; P129-M133 PolarHBondContact O-N 3.41Å
130A92.2Very high92.3Very high12 Ų1237.2 Ų37.210%0.09918%0.184CC..Hα-helixtrans-66.3-42.3178.400000111.5K59 P61 S127 A128 M133 Y134K59-A130 WeakPolarHBondContact O-CB 3.45Å; P61-A130 WeakPolarHBondContact O-CB 3.37Å; S127-A130 PolarHBondContact O-N 3.45Å; A128-A130 PolarHBondContact O-N 2.98Å; A130-M133 PolarHBondContact O-N 2.95Å; A130-Y134 WeakPolarHBondContact O-CB 3.45Å; A130-Y134 PolarHBondContact O-N 3.32Å
131S92.2Very high92.4Very high38 Ų3838.8 Ų38.827%0.26619%0.194SC..Hα-helixtrans-62-45.5179-53.40000111.4S127 A128 A135S127-S131 WeakPolarHBondContact O-CB 3.37Å; S127-S131 PolarHBondContact O-N 2.9Å; S127-S131 PolarHBondContact O-OG 3.03Å; A128-S131 PolarHBondContact O-N 3.33Å; S131-A135 VanDerWaalsContact O-CB 3.31Å; S131-A135 WeakPolarHBondContact O-CB 3.2Å; S131-A135 PolarHBondContact O-N 2.99Å
132F91.1Very high92.4Very high6 Ų642.4 Ų42.43%0.02621%0.214CC..Hα-helixtrans-64.4-49.7176.5174.5-93.2000112.4V85 M88 F89 V92 A128 Y134 A135 L136V85-F132 HydrophobicContact CB-CZ 4.32Å; V85-F132 HydrophobicContact CG1-CE2 4.3Å; V85-F132 HydrophobicContact CG1-CZ 4.04Å; V85-F132 HydrophobicContact CG2-CZ 4.46Å; M88-F132 HydrophobicContact CB-CD2 3.88Å; M88-F132 HydrophobicContact CB-CE1 4.09Å; M88-F132 HydrophobicContact CB-CE2 3.45Å; M88-F132 VanDerWaalsContact CB-CE2 3.45Å; M88-F132 HydrophobicContact CB-CG 4.4Å; M88-F132 HydrophobicContact CB-CZ 3.55Å; M88-F132 HydrophobicContact CE-CB 4.04Å; M88-F132 HydrophobicContact CE-CD1 3.19Å; M88-F132 HydrophobicContact CE-CD2 4.18Å; M88-F132 HydrophobicContact CE-CE1 3.6Å; M88-F132 HydrophobicContact CE-CG 3.5Å; M88-F132 HydrophobicContact CE-CZ 4.26Å; M88-F132 WeakPolarHBondContact O-CD2 3.38Å; M88-F132 VanDerWaalsContact O-CE2 3.22Å; M88-F132 WeakPolarHBondContact O-CE2 3.21Å; F89-F132 HydrophobicContact CD1-CB 4.4Å; F89-F132 HydrophobicContact CE1-CB 4.44Å; V92-F132 HydrophobicContact CG2-CB 4.27Å; V92-F132 HydrophobicContact CG2-CD2 3.74Å; V92-F132 HydrophobicContact CG2-CG 4.48Å; A128-F132 WeakPolarHBondContact O-CB 3.27Å; A128-F132 PolarHBondContact O-N 2.94Å; F132-Y134 VanDerWaalsContact C-N 3.26Å; F132-Y134 PolarHBondContact O-N 3.45Å; F132-A135 PolarHBondContact O-N 3.44Å; F132-L136 HydrophobicContact CE1-CB 4.24Å; F132-L136 HydrophobicContact CE1-CD2 3.76Å; F132-L136 HydrophobicContact CZ-CB 4.23Å; F132-L136 HydrophobicContact CZ-CD2 3.95Å; F132-L136 HydrophobicContact CZ-CG 4.5Å; F132-L136 WeakPolarHBondContact O-CB 3.27Å; F132-L136 PolarHBondContact O-N 3.03Å
133M92.2Very high92.6Very high3 Ų345 Ų452%0.01523%0.225CC..Hα-helixtrans-61.1-38.4-179.4-74.6-63.4-6600111.6L63 L64 P129 A130 K137L63-M133 HydrophobicContact CB-CB 3.74Å; L63-M133 HydrophobicContact CD1-CB 4.27Å; L63-M133 WeakPolarHBondContact O-CE 3.47Å; L64-M133 HydrophobicContact CD2-CE 4.38Å; L64-M133 HydrophobicContact CD2-CG 4.33Å; L64-M133 HydrophobicContact CD2-SD 4.34Å; P129-M133 WeakPolarHBondContact O-CB 3.4Å; P129-M133 VanDerWaalsContact O-CG 3.29Å; P129-M133 WeakPolarHBondContact O-CG 3.29Å; P129-M133 PolarHBondContact O-N 3.41Å; A130-M133 PolarHBondContact O-N 2.95Å; M133-K137 VanDerWaalsContact O-CB 3.27Å; M133-K137 WeakPolarHBondContact O-CB 3.32Å; M133-K137 WeakPolarHBondContact O-CG 3.49Å; M133-K137 PolarHBondContact O-N 2.95Å
134Y92.9Very high92.8Very high143 Ų14338.7 Ų38.756%0.56120%0.199SC*.Hα-helixtrans-63-52.8174-177.9-95.8000111.2L63 A130 F132 L136 K137 Q138L63-Y134 HydrophobicContact CD1-CD2 4.36Å; A130-Y134 WeakPolarHBondContact O-CB 3.45Å; A130-Y134 PolarHBondContact O-N 3.32Å; F132-Y134 VanDerWaalsContact C-N 3.26Å; F132-Y134 PolarHBondContact O-N 3.45Å; Y134-L136 PolarHBondContact O-N 3.43Å; Y134-K137 PolarHBondContact O-N 3.27Å; Y134-Q138 VanDerWaalsContact O-CB 3.27Å; Y134-Q138 WeakPolarHBondContact O-CB 3.31Å; Y134-Q138 PolarHBondContact O-N 2.87Å
135A92.1Very high93Very high7 Ų740.9 Ų40.96%0.05820%0.204CC..Hα-helixtrans-56.3-47.5179.800000112.5V92 S131 F132 Q138 C139 V189V92-A135 HydrophobicContact CG1-CB 4.22Å; V92-A135 HydrophobicContact CG2-CB 3.92Å; S131-A135 VanDerWaalsContact O-CB 3.31Å; S131-A135 WeakPolarHBondContact O-CB 3.2Å; S131-A135 PolarHBondContact O-N 2.99Å; F132-A135 PolarHBondContact O-N 3.44Å; A135-Q138 PolarHBondContact O-N 3.42Å; A135-C139 VanDerWaalsContact O-CB 3.24Å; A135-C139 WeakPolarHBondContact O-CB 3.15Å; A135-C139 PolarHBondContact O-N 3.45Å; A135-V189 HydrophobicContact CB-CB 4.23Å; A135-V189 HydrophobicContact CB-CG1 3.4Å
136L91.8Very high93Very high12 Ų1243.9 Ų43.96%0.06323%0.225CC..Hα-helixtrans-61.1-50.2177.8176.865.3000111.5F132 Y134 Q138 C139 I140 F156 L182F132-L136 HydrophobicContact CE1-CB 4.24Å; F132-L136 HydrophobicContact CE1-CD2 3.76Å; F132-L136 HydrophobicContact CZ-CB 4.23Å; F132-L136 HydrophobicContact CZ-CD2 3.95Å; F132-L136 HydrophobicContact CZ-CG 4.5Å; F132-L136 WeakPolarHBondContact O-CB 3.27Å; F132-L136 PolarHBondContact O-N 3.03Å; Y134-L136 PolarHBondContact O-N 3.43Å; L136-Q138 VanDerWaalsContact C-N 3.31Å; L136-Q138 PolarHBondContact O-N 3.39Å; L136-C139 PolarHBondContact O-N 3.46Å; L136-I140 HydrophobicContact CD1-CD1 4.15Å; L136-I140 HydrophobicContact CG-CD1 4.07Å; L136-I140 WeakPolarHBondContact O-CD1 3.39Å; L136-I140 VanDerWaalsContact O-CG1 3.31Å; L136-I140 WeakPolarHBondContact O-CG1 3.49Å; L136-I140 PolarHBondContact O-N 3.02Å; L136-F156 HydrophobicContact CD1-CZ 4.29Å; L136-F156 HydrophobicContact CD2-CB 4.49Å; L136-F156 HydrophobicContact CD2-CD1 3.67Å; L136-F156 HydrophobicContact CD2-CD2 4.22Å; L136-F156 HydrophobicContact CD2-CE1 3.81Å; L136-F156 HydrophobicContact CD2-CE2 4.35Å; L136-F156 HydrophobicContact CD2-CG 3.88Å; L136-F156 HydrophobicContact CD2-CZ 4.16Å; L136-L182 HydrophobicContact CD1-CD1 4.48Å; L136-L182 HydrophobicContact CD1-CD2 3.68Å
137K92.6Very high92.9Very high26 Ų2642.5 Ų42.511%0.11323%0.231CC..Hα-helixtrans-63.5-39.3-179.3-71.8-175.5163.41790111.3L63 N65 M133 Y134 M141 R153L63-K137 PolarHBondContact O-NZ 2.87Å; N65-K137 PolarHBondContact OD1-NZ 3.01Å; M133-K137 VanDerWaalsContact O-CB 3.27Å; M133-K137 WeakPolarHBondContact O-CB 3.32Å; M133-K137 WeakPolarHBondContact O-CG 3.49Å; M133-K137 PolarHBondContact O-N 2.95Å; Y134-K137 PolarHBondContact O-N 3.27Å; K137-M141 WeakPolarHBondContact O-CG 3.32Å; K137-M141 PolarHBondContact O-N 3.16Å; K137-M141 VanDerWaalsContact O-N 3.16Å; K137-R153 HydrophobicContact CB-CG 3.94Å; K137-R153 HydrophobicContact CD-CG 3.95Å; K137-R153 HydrophobicContact CG-CG 3.62Å
138Q92.7Very high92.9Very high69 Ų6943.1 Ų43.132%0.32223%0.233SC..Hα-helixtrans-66.4-48.3177.5-171.658.546.500111.2Y134 A135 L136 I140 M141 D142Y134-Q138 VanDerWaalsContact O-CB 3.27Å; Y134-Q138 WeakPolarHBondContact O-CB 3.31Å; Y134-Q138 PolarHBondContact O-N 2.87Å; A135-Q138 PolarHBondContact O-N 3.42Å; L136-Q138 VanDerWaalsContact C-N 3.31Å; L136-Q138 PolarHBondContact O-N 3.39Å; Q138-I140 VanDerWaalsContact C-N 3.3Å; Q138-I140 PolarHBondContact O-N 2.96Å; Q138-M141 PolarHBondContact O-N 3.31Å; Q138-D142 WeakPolarHBondContact CG-OD2 3.44Å; Q138-D142 PolarHBondContact NE2-OD1 3.28Å; Q138-D142 PolarHBondContact NE2-OD2 3.4Å; Q138-D142 VanDerWaalsContact O-CG 3.28Å; Q138-D142 PolarHBondContact O-N 2.86Å
139C92.4Very high93Very high8 Ų843.1 Ų43.15%0.05423%0.232CC..Hα-helixtrans-55.1-43.5175.7176.90000112.4A135 L136 D142 H143A135-C139 VanDerWaalsContact O-CB 3.24Å; A135-C139 WeakPolarHBondContact O-CB 3.15Å; A135-C139 PolarHBondContact O-N 3.45Å; L136-C139 PolarHBondContact O-N 3.46Å; C139-D142 PolarHBondContact O-N 3.34Å; C139-H143 WeakPolarHBondContact O-CB 3.33Å; C139-H143 PolarHBondContact O-N 2.93Å
140I93.6Very high93.1Very high0 Ų045.3 Ų45.30%024%0.237CC..Hα-helixtrans-59.6-48.7174.5-68.8162.1000110.6L136 Q138 D142 H143 V144 V152 F156 L178 L182L136-I140 HydrophobicContact CD1-CD1 4.15Å; L136-I140 HydrophobicContact CG-CD1 4.07Å; L136-I140 WeakPolarHBondContact O-CD1 3.39Å; L136-I140 VanDerWaalsContact O-CG1 3.31Å; L136-I140 WeakPolarHBondContact O-CG1 3.49Å; L136-I140 PolarHBondContact O-N 3.02Å; Q138-I140 VanDerWaalsContact C-N 3.3Å; Q138-I140 PolarHBondContact O-N 2.96Å; I140-D142 VanDerWaalsContact C-N 3.26Å; I140-D142 PolarHBondContact O-N 3.43Å; I140-H143 PolarHBondContact O-N 3.2Å; I140-V144 HydrophobicContact CG2-CB 4.2Å; I140-V144 HydrophobicContact CG2-CG2 4.18Å; I140-V144 WeakPolarHBondContact O-CB 3.27Å; I140-V144 PolarHBondContact O-N 3.22Å; I140-V152 HydrophobicContact CD1-CG1 4.26Å; I140-F156 HydrophobicContact CD1-CD2 4.06Å; I140-F156 HydrophobicContact CD1-CE2 3.54Å; I140-F156 HydrophobicContact CD1-CZ 4.35Å; I140-L178 HydrophobicContact CG1-CD1 4.19Å; I140-L182 HydrophobicContact CG1-CD2 3.95Å
141M93.8Very high93.1Very high73 Ų7347.7 Ų47.736%0.3625%0.246SC..Hα-helixtrans-66.5-28.2-178.3-66.3-53.7-5100113.4K137 Q138K137-M141 WeakPolarHBondContact O-CG 3.32Å; K137-M141 PolarHBondContact O-N 3.16Å; K137-M141 VanDerWaalsContact O-N 3.16Å; Q138-M141 PolarHBondContact O-N 3.31Å
142D94.3Very high93.2Very high95 Ų9545.9 Ų45.951%0.50823%0.233SC..Hα-helixtrans-85.5-24.7-177.8-66.8-22.5000113.3Q138 C139 I140Q138-D142 WeakPolarHBondContact CG-OD2 3.44Å; Q138-D142 PolarHBondContact NE2-OD1 3.28Å; Q138-D142 PolarHBondContact NE2-OD2 3.4Å; Q138-D142 VanDerWaalsContact O-CG 3.28Å; Q138-D142 PolarHBondContact O-N 2.86Å; C139-D142 PolarHBondContact O-N 3.34Å; I140-D142 VanDerWaalsContact C-N 3.26Å; I140-D142 PolarHBondContact O-N 3.43Å
143H94.6Very high93.2Very high54 Ų5449.2 Ų49.225%0.2525%0.246CC..Hα-helixtrans-129.9-9.5-167.4-58.5-37.5000115.8C139 I140 R180 G181C139-H143 WeakPolarHBondContact O-CB 3.33Å; C139-H143 PolarHBondContact O-N 2.93Å; I140-H143 PolarHBondContact O-N 3.2Å; H143-R180 PolarHBondContact O-NH2 2.69Å; H143-G181 WeakPolarHBondContact CB-O 3.39Å
144V94.4Very high93.2Very high10 Ų1057 Ų576%0.06128%0.275CS..SBendtrans-105.2144.2175.3178.60000108.8I140 S146 I148 E177 L178I140-V144 HydrophobicContact CG2-CB 4.2Å; I140-V144 HydrophobicContact CG2-CG2 4.18Å; I140-V144 WeakPolarHBondContact O-CB 3.27Å; I140-V144 PolarHBondContact O-N 3.22Å; V144-S146 PolarHBondContact O-N 3.02Å; V144-I148 HydrophobicContact CG1-CB 3.91Å; V144-I148 HydrophobicContact CG1-CG2 3.68Å; V144-E177 HydrophobicContact CG1-CG 4.02Å; V144-L178 HydrophobicContact CG2-CD1 4.31Å
145D94.4Very high93.3Very high77 Ų7750.3 Ų50.341%0.41225%0.249SC..  trans-45.1137.5171.6176.3-94.3000111.8V147 I148 G149 E177D145-V147 VanDerWaalsContact C-N 3.25Å; D145-V147 PolarHBondContact O-N 3.04Å; D145-V147 VanDerWaalsContact O-N 3.13Å; D145-V147 WeakPolarHBondContact OD1-CB 3.28Å; D145-V147 PolarHBondContact OD1-N 3.04Å; D145-I148 HydrophobicContact CB-CB 4.45Å; D145-I148 HydrophobicContact CB-CD1 4.4Å; D145-I148 PolarHBondContact O-N 3Å; D145-G149 PolarHBondContact O-N 2.78Å; D145-E177 PolarHBondContact N-OE1 3.37Å
146S93.5Very high93.4Very high71 Ų7150.1 Ų50.150%0.49725%0.247SC..Hα-helixtrans-58-33.4-170.466.20000114.4V144 Q150V144-S146 PolarHBondContact O-N 3.02Å; S146-Q150 VanDerWaalsContact O-CG 3.26Å; S146-Q150 WeakPolarHBondContact O-CG 3.43Å; S146-Q150 PolarHBondContact O-N 3.33Å
147V92.9Very high93.3Very high104 Ų10453.5 Ų53.563%0.6326%0.26SS*.Hα-helixtrans-73.9-49.5179.8179.60000109.5D145 G149 Q150 Q151D145-V147 VanDerWaalsContact C-N 3.25Å; D145-V147 PolarHBondContact O-N 3.04Å; D145-V147 VanDerWaalsContact O-N 3.13Å; D145-V147 WeakPolarHBondContact OD1-CB 3.28Å; D145-V147 PolarHBondContact OD1-N 3.04Å; V147-G149 PolarHBondContact O-N 2.93Å; V147-Q150 PolarHBondContact O-N 3.16Å; V147-Q151 PolarHBondContact O-N 3.36Å
148I94.3Very high93Very high33 Ų3354.2 Ų54.217%0.16927%0.266CS..Hα-helixtrans-64-42.8178.5-63.9174.8000110.4V144 D145 Q150 Q151 V152 V174 E177V144-I148 HydrophobicContact CG1-CB 3.91Å; V144-I148 HydrophobicContact CG1-CG2 3.68Å; D145-I148 HydrophobicContact CB-CB 4.45Å; D145-I148 HydrophobicContact CB-CD1 4.4Å; D145-I148 PolarHBondContact O-N 3Å; I148-Q150 PolarHBondContact O-N 3.35Å; I148-Q151 WeakPolarHBondContact O-CB 3.44Å; I148-Q151 PolarHBondContact O-N 3.45Å; I148-V152 HydrophobicContact CG2-CG2 3.88Å; I148-V152 WeakPolarHBondContact O-CB 3.27Å; I148-V152 WeakPolarHBondContact O-CG2 3.37Å; I148-V152 PolarHBondContact O-N 2.88Å; I148-V174 HydrophobicContact CD1-CG2 4.42Å; I148-V174 HydrophobicContact CG1-CG2 4.45Å; I148-V174 HydrophobicContact CG2-CG1 3.88Å; I148-V174 HydrophobicContact CG2-CG2 4.36Å; I148-E177 HydrophobicContact CD1-CB 4.28Å; I148-E177 HydrophobicContact CD1-CG 3.99Å
149G94.9Very high92.5Very high0 Ų053.3 Ų53.30%026%0.264CS..Hα-helixtrans-61.6-40.8-179.400000112.3D145 V147 Q151 R153D145-G149 PolarHBondContact O-N 2.78Å; V147-G149 PolarHBondContact O-N 2.93Å; G149-Q151 PolarHBondContact O-N 3.42Å; G149-R153 WeakPolarHBondContact O-CB 3.43Å; G149-R153 PolarHBondContact O-N 2.94Å
150Q93.1Very high92.4Very high111 Ų11155.5 Ų55.552%0.51928%0.275SS..Hα-helixtrans-63.4-39.9175.9-78.1-179.533.400112.9S146 V147 I148S146-Q150 VanDerWaalsContact O-CG 3.26Å; S146-Q150 WeakPolarHBondContact O-CG 3.43Å; S146-Q150 PolarHBondContact O-N 3.33Å; V147-Q150 PolarHBondContact O-N 3.16Å; I148-Q150 PolarHBondContact O-N 3.35Å
151Q91.6Very high92.4Very high61 Ų6155.7 Ų55.729%0.28528%0.276SS..Hα-helixtrans-65.3-60.2174173.1-179.9-24.100110.2V147 I148 G149 R153 R154 S155 D163 F165V147-Q151 PolarHBondContact O-N 3.36Å; I148-Q151 WeakPolarHBondContact O-CB 3.44Å; I148-Q151 PolarHBondContact O-N 3.45Å; G149-Q151 PolarHBondContact O-N 3.42Å; Q151-R153 VanDerWaalsContact C-N 3.27Å; Q151-R153 PolarHBondContact O-N 2.81Å; Q151-R154 WeakPolarHBondContact O-CB 3.29Å; Q151-R154 PolarHBondContact O-N 2.89Å; Q151-S155 PolarHBondContact O-N 3.09Å; Q151-S155 PolarHBondContact O-OG 3.13Å; Q151-D163 PolarHBondContact NE2-OD2 2.96Å; Q151-F165 VanDerWaalsContact NE2-CE1 3.31Å
152V93.5Very high92.5Very high0 Ų053.2 Ų53.20%026%0.263CS..Hα-helixtrans-61.4-35.1-171168.60000112.2I140 I148 R154 S155 F156 Y161 V174 L178I140-V152 HydrophobicContact CD1-CG1 4.26Å; I148-V152 HydrophobicContact CG2-CG2 3.88Å; I148-V152 WeakPolarHBondContact O-CB 3.27Å; I148-V152 WeakPolarHBondContact O-CG2 3.37Å; I148-V152 PolarHBondContact O-N 2.88Å; V152-R154 PolarHBondContact O-N 2.81Å; V152-R154 VanDerWaalsContact O-N 3.14Å; V152-S155 WeakPolarHBondContact O-CA 3.28Å; V152-S155 WeakPolarHBondContact O-CB 3.44Å; V152-S155 PolarHBondContact O-N 2.82Å; V152-F156 HydrophobicContact CG1-CD2 4.34Å; V152-F156 HydrophobicContact CG1-CE2 3.63Å; V152-F156 VanDerWaalsContact O-CD2 3.28Å; V152-F156 WeakPolarHBondContact O-CD2 3.44Å; V152-Y161 HydrophobicContact CB-CE2 4.27Å; V152-Y161 HydrophobicContact CG1-CD2 4.16Å; V152-Y161 HydrophobicContact CG1-CE2 3.73Å; V152-Y161 HydrophobicContact CG2-CE2 4.12Å; V152-V174 HydrophobicContact CG2-CG1 3.79Å; V152-L178 HydrophobicContact CG1-CD1 3.56Å; V152-L178 HydrophobicContact CG1-CD2 3.65Å; V152-L178 HydrophobicContact CG1-CG 4.15Å
153R92.6Very high92.5Very high76 Ų7648.7 Ų48.729%0.28724%0.239SC..THydrogen-bonded Turntrans-58-27.8175.8-168.2-178.463.986.1-1.8113.3N65 K137 G149 Q151N65-R153 PolarHBondContact ND2-O 2.99Å; K137-R153 HydrophobicContact CB-CG 3.94Å; K137-R153 HydrophobicContact CD-CG 3.95Å; K137-R153 HydrophobicContact CG-CG 3.62Å; G149-R153 WeakPolarHBondContact O-CB 3.43Å; G149-R153 PolarHBondContact O-N 2.94Å; Q151-R153 VanDerWaalsContact C-N 3.27Å; Q151-R153 PolarHBondContact O-N 2.81Å
154R92.5Very high92.7Very high166 Ų16646.1 Ų46.163%0.62623%0.227SC*.THydrogen-bonded Turntrans-89.4-9.2177.1-63.6178.6176.5173.70.9113N65 Q151 V152N65-R154 WeakPolarHBondContact ND2-CA 3.28Å; N65-R154 PolarHBondContact ND2-O 2.93Å; Q151-R154 WeakPolarHBondContact O-CB 3.29Å; Q151-R154 PolarHBondContact O-N 2.89Å; V152-R154 PolarHBondContact O-N 2.81Å; V152-R154 VanDerWaalsContact O-N 3.14Å
155S95Very high92.8Very high3 Ų345.7 Ų45.72%0.02123%0.225CC..SBendtrans-96.210.5-175.8-57.40000113.4L70 Q151 V152 Y161 M162 D163L70-S155 VanDerWaalsContact CD1-CA 3.43Å; Q151-S155 PolarHBondContact O-N 3.09Å; Q151-S155 PolarHBondContact O-OG 3.13Å; V152-S155 WeakPolarHBondContact O-CA 3.28Å; V152-S155 WeakPolarHBondContact O-CB 3.44Å; V152-S155 PolarHBondContact O-N 2.82Å; S155-Y161 VanDerWaalsContact CB-CE2 3.43Å; S155-Y161 CarbonylContact O-C 3.55Å; S155-Y161 WeakPolarHBondContact O-CA 3.12Å; S155-M162 WeakPolarHBondContact CB-O 3.5Å; S155-M162 PolarHBondContact O-N 3.42Å; S155-D163 PolarHBondContact OG-OD2 3.47Å
156F93.1Very high93Very high4 Ų448.3 Ų48.32%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-103137.1175.7-80-87.4000112.7N65 V85 L136 I140 V152 N160 Y161 L178N65-F156 WeakPolarHBondContact CB-O 3.46Å; N65-F156 PolarHBondContact ND2-O 2.73Å; V85-F156 HydrophobicContact CG2-CE1 3.94Å; L136-F156 HydrophobicContact CD1-CZ 4.29Å; L136-F156 HydrophobicContact CD2-CB 4.49Å; L136-F156 HydrophobicContact CD2-CD1 3.67Å; L136-F156 HydrophobicContact CD2-CD2 4.22Å; L136-F156 HydrophobicContact CD2-CE1 3.81Å; L136-F156 HydrophobicContact CD2-CE2 4.35Å; L136-F156 HydrophobicContact CD2-CG 3.88Å; L136-F156 HydrophobicContact CD2-CZ 4.16Å; I140-F156 HydrophobicContact CD1-CD2 4.06Å; I140-F156 HydrophobicContact CD1-CE2 3.54Å; I140-F156 HydrophobicContact CD1-CZ 4.35Å; V152-F156 HydrophobicContact CG1-CD2 4.34Å; V152-F156 HydrophobicContact CG1-CE2 3.63Å; V152-F156 VanDerWaalsContact O-CD2 3.28Å; V152-F156 WeakPolarHBondContact O-CD2 3.44Å; F156-N160 CarbonylContact C-O 3.13Å; F156-N160 WeakPolarHBondContact CA-O 3.26Å; F156-Y161 HydrophobicContact CD2-CD2 4.19Å; F156-Y161 HydrophobicContact CE1-CD2 4.48Å; F156-Y161 HydrophobicContact CE1-CG 4.47Å; F156-Y161 AromaticContact CE2-CD2 3.88Å; F156-Y161 HydrophobicContact CE2-CD2 3.88Å; F156-Y161 HydrophobicContact CZ-CD2 4.05Å; F156-Y161 HydrophobicContact CZ-CG 4.28Å; F156-L178 HydrophobicContact CZ-CD2 4.37Å
157Y90.8Very high93.2Very high82 Ų8248.2 Ų48.232%0.32223%0.231SC..EExtended strand (participates in β ladder)trans-121.1105.5162-172-102.6000109.4L67 L70 D159 N160L67-Y157 HydrophobicContact CB-CD2 4.33Å; L67-Y157 HydrophobicContact CB-CE2 3.96Å; L67-Y157 HydrophobicContact CD1-CD1 4.37Å; L67-Y157 HydrophobicContact CD1-CD2 3.92Å; L67-Y157 HydrophobicContact CD1-CE1 4.44Å; L67-Y157 HydrophobicContact CD1-CE2 4.02Å; L67-Y157 HydrophobicContact CD1-CG 4.1Å; L67-Y157 HydrophobicContact CG-CE2 4.39Å; L70-Y157 VanDerWaalsContact CD2-CB 3.45Å; L70-Y157 HydrophobicContact CD2-CG 4.39Å; Y157-D159 PolarHBondContact O-N 3.49Å; Y157-N160 PolarHBondContact N-O 3.13Å; Y157-N160 PolarHBondContact O-N 3.17Å
158V85.7Confident93.5Very high42 Ų4247.3 Ų47.326%0.25523%0.226SC..THydrogen-bonded Turntrans55.3-106.6-171.7-167.30000110.3L64 M88L64-V158 HydrophobicContact CD2-CB 4.47Å; L64-V158 HydrophobicContact CD2-CG2 3.61Å; M88-V158 HydrophobicContact CE-CG1 3.81Å; M88-V158 HydrophobicContact SD-CG1 4.05Å
159D82.1Confident93.6Very high49 Ų4951.8 Ų51.826%0.26225%0.25SC..THydrogen-bonded Turntrans-97.8-7.6179.850.4-5.3000113.8V85 M88 Y157V85-D159 PolarHBondContact N-O 2.98Å; M88-D159 HydrophobicContact CB-CB 4.3Å; M88-D159 HydrophobicContact CG-CB 4.43Å; M88-D159 HydrophobicContact SD-CB 3.71Å; Y157-D159 PolarHBondContact O-N 3.49Å
160N89.9Confident93.7Very high54 Ų5455.6 Ų55.629%0.28927%0.268SS..EExtended strand (participates in β ladder)trans-97.9117.5-176.8-59.2162.2000111.1A83 D84 F156 Y157A83-N160 WeakPolarHBondContact O-CA 3.42Å; D84-N160 PolarHBondContact OD1-ND2 2.91Å; F156-N160 CarbonylContact C-O 3.13Å; F156-N160 WeakPolarHBondContact CA-O 3.26Å; Y157-N160 PolarHBondContact N-O 3.13Å; Y157-N160 PolarHBondContact O-N 3.17Å
161Y93.9Very high93.9Very high5 Ų550.6 Ų50.62%0.0225%0.245CC..EExtended strand (participates in β ladder)trans-80.9127163.7174.9-113.6000108.8V81 I82 A83 V152 S155 F156 D163 L178V81-Y161 HydrophobicContact CB-CE1 4.45Å; V81-Y161 HydrophobicContact CG1-CD1 4.18Å; V81-Y161 HydrophobicContact CG1-CE1 3.79Å; I82-Y161 CarbonylContact C-O 3.59Å; I82-Y161 VanDerWaalsContact CA-O 3.28Å; I82-Y161 WeakPolarHBondContact CA-O 3.18Å; A83-Y161 HydrophobicContact CB-CD1 4.22Å; A83-Y161 PolarHBondContact N-O 3.2Å; A83-Y161 PolarHBondContact O-N 3.2Å; V152-Y161 HydrophobicContact CB-CE2 4.27Å; V152-Y161 HydrophobicContact CG1-CD2 4.16Å; V152-Y161 HydrophobicContact CG1-CE2 3.73Å; V152-Y161 HydrophobicContact CG2-CE2 4.12Å; S155-Y161 VanDerWaalsContact CB-CE2 3.43Å; S155-Y161 CarbonylContact O-C 3.55Å; S155-Y161 WeakPolarHBondContact O-CA 3.12Å; F156-Y161 HydrophobicContact CD2-CD2 4.19Å; F156-Y161 HydrophobicContact CE1-CD2 4.48Å; F156-Y161 HydrophobicContact CE1-CG 4.47Å; F156-Y161 AromaticContact CE2-CD2 3.88Å; F156-Y161 HydrophobicContact CE2-CD2 3.88Å; F156-Y161 HydrophobicContact CZ-CD2 4.05Å; F156-Y161 HydrophobicContact CZ-CG 4.28Å; Y161-D163 HydrophobicContact CE1-CB 4.2Å; Y161-D163 HydrophobicContact CE2-CB 4.06Å; Y161-D163 VanDerWaalsContact OH-CB 3.27Å; Y161-D163 WeakPolarHBondContact OH-CB 3.33Å; Y161-D163 PolarHBondContact OH-OD2 3.43Å; Y161-D163 VanDerWaalsContact OH-OD2 3.13Å; Y161-L178 HydrophobicContact CD1-CD2 4.28Å; Y161-L178 HydrophobicContact CD2-CD2 4.2Å; Y161-L178 HydrophobicContact CE1-CD2 4.21Å; Y161-L178 HydrophobicContact CE2-CD2 4.15Å; Y161-L178 HydrophobicContact CG-CD2 4.27Å
162M94.9Very high94.2Very high20 Ų2051.7 Ų51.710%0.09925%0.253CS..EExtended strand (participates in β ladder)trans-137.1119.1177.9-67.7-173.3-66.300109.8L70 F74 V81 I82 S155L70-M162 HydrophobicContact CD1-CB 4.31Å; L70-M162 WeakPolarHBondContact CD1-O 3.41Å; L70-M162 HydrophobicContact CD2-CE 3.31Å; L70-M162 HydrophobicContact CG-CB 4.38Å; L70-M162 HydrophobicContact CG-CE 3.85Å; F74-M162 HydrophobicContact CB-CB 4.34Å; F74-M162 HydrophobicContact CD2-CB 3.92Å; F74-M162 HydrophobicContact CG-CB 4.26Å; V81-M162 WeakPolarHBondContact O-CA 3.5Å; I82-M162 HydrophobicContact CD1-CG 4.26Å; I82-M162 HydrophobicContact CG1-CG 4.13Å; S155-M162 WeakPolarHBondContact CB-O 3.5Å; S155-M162 PolarHBondContact O-N 3.42Å
163D95.9Very high94.3Very high0 Ų055.1 Ų55.10%028%0.277CS..EExtended strand (participates in β ladder)trans-147.7171.7178.9-146-22000111.2Q73 F74 V81 Q151 S155 Y161 F165Q73-D163 PolarHBondContact NE2-OD1 2.95Å; F74-D163 VanDerWaalsContact CD2-O 3.28Å; F74-D163 WeakPolarHBondContact CD2-O 3.45Å; V81-D163 PolarHBondContact N-O 3.33Å; V81-D163 PolarHBondContact O-N 3.38Å; Q151-D163 PolarHBondContact NE2-OD2 2.96Å; S155-D163 PolarHBondContact OG-OD2 3.47Å; Y161-D163 HydrophobicContact CE1-CB 4.2Å; Y161-D163 HydrophobicContact CE2-CB 4.06Å; Y161-D163 VanDerWaalsContact OH-CB 3.27Å; Y161-D163 WeakPolarHBondContact OH-CB 3.33Å; Y161-D163 PolarHBondContact OH-OD2 3.43Å; Y161-D163 VanDerWaalsContact OH-OD2 3.13Å; D163-F165 HydrophobicContact CB-CE2 3.97Å; D163-F165 HydrophobicContact CB-CZ 4.12Å
164S97.6Very high94.5Very high1 Ų152 Ų521%0.00727%0.266CS..EExtended strand (participates in β ladder)trans-143.4154.7168.469.10000111.8Q73 F74 R76 F77 V79Q73-S164 PolarHBondContact O-OG 2.72Å; F74-S164 WeakPolarHBondContact O-CB 3.36Å; R76-S164 PolarHBondContact N-OG 2.91Å; F77-S164 VanDerWaalsContact CD2-O 3.29Å; F77-S164 WeakPolarHBondContact CD2-O 3.33Å; F77-S164 PolarHBondContact N-OG 3.15Å; V79-S164 CarbonylContact O-C 3.49Å; V79-S164 VanDerWaalsContact O-CA 3.24Å; V79-S164 WeakPolarHBondContact O-CA 3.48Å
165F97.7Very high94.6Very high1 Ų145.4 Ų45.40%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-135.9158.3-174.7-57.7-84.9000111.4F77 V79 V81 Q151 D163 E170 A171 V174F77-F165 WeakPolarHBondContact CB-O 3.36Å; V79-F165 WeakPolarHBondContact CB-O 3.42Å; V79-F165 PolarHBondContact N-O 3.22Å; V79-F165 PolarHBondContact O-N 2.84Å; V81-F165 HydrophobicContact CB-CE2 4.25Å; V81-F165 HydrophobicContact CG2-CD2 3.86Å; V81-F165 HydrophobicContact CG2-CE2 3.85Å; Q151-F165 VanDerWaalsContact NE2-CE1 3.31Å; D163-F165 HydrophobicContact CB-CE2 3.97Å; D163-F165 HydrophobicContact CB-CZ 4.12Å; F165-E170 HydrophobicContact CB-CB 4.36Å; F165-E170 HydrophobicContact CB-CG 4.33Å; F165-E170 HydrophobicContact CD1-CG 3.74Å; F165-E170 HydrophobicContact CG-CG 4.38Å; F165-A171 HydrophobicContact CB-CB 3.97Å; F165-A171 HydrophobicContact CD2-CB 3.48Å; F165-A171 VanDerWaalsContact CD2-CB 3.48Å; F165-A171 HydrophobicContact CE2-CB 4.2Å; F165-A171 HydrophobicContact CG-CB 3.86Å; F165-V174 HydrophobicContact CE1-CB 3.9Å; F165-V174 HydrophobicContact CE1-CG1 4.04Å; F165-V174 HydrophobicContact CE1-CG2 3.72Å; F165-V174 HydrophobicContact CZ-CB 3.81Å; F165-V174 HydrophobicContact CZ-CG1 3.66Å; F165-V174 HydrophobicContact CZ-CG2 4.17Å
166E97.5Very high94.6Very high132 Ų13252.3 Ų52.362%0.61728%0.275SS*.SBendtrans-73.3-34.4179.9-69-175-179.500111.6F77 E170F77-E166 HydrophobicContact CD1-CG 3.44Å; F77-E166 VanDerWaalsContact CD1-CG 3.44Å; F77-E166 HydrophobicContact CE1-CG 3.62Å; F77-E166 WeakPolarHBondContact CE1-OE1 3.4Å; F77-E166 HydrophobicContact CG-CG 4.11Å; F77-E166 HydrophobicContact CZ-CG 4.41Å; E166-E170 PolarHBondContact N-OE2 3.48Å
167T98.1Very high94.7Very high69 Ų6953.9 Ų53.942%0.42328%0.282SS..SBendtrans-130.7156-176.969.40000112.1D169 E170 A171T167-D169 VanDerWaalsContact C-N 3.29Å; T167-D169 PolarHBondContact O-N 3.21Å; T167-E170 WeakPolarHBondContact OG1-CB 3.42Å; T167-E170 PolarHBondContact OG1-N 3.29Å; T167-A171 PolarHBondContact O-N 2.95Å
168V98Very high94.8Very high85 Ų8550.5 Ų50.552%0.51527%0.269SS..Hα-helixtrans-64.9-36.5175.5176.80000111.1V79 A171 L172V79-V168 HydrophobicContact CG1-CG2 4.27Å; V79-V168 HydrophobicContact CG2-CG2 4.08Å; V168-A171 PolarHBondContact O-N 3.31Å; V168-L172 HydrophobicContact CG1-CD1 3.91Å; V168-L172 HydrophobicContact CG1-CG 4.18Å; V168-L172 WeakPolarHBondContact O-CB 3.29Å; V168-L172 VanDerWaalsContact O-CG 3.28Å; V168-L172 WeakPolarHBondContact O-CG 3.39Å; V168-L172 PolarHBondContact O-N 3.03Å
169D98.1Very high95.2Very high127 Ų12755.9 Ų55.968%0.67929%0.289SS*.Hα-helixtrans-65.4-41.7-179.4-68.6-31.9000112T167 L172 S173T167-D169 VanDerWaalsContact C-N 3.29Å; T167-D169 PolarHBondContact O-N 3.21Å; D169-L172 PolarHBondContact O-N 2.91Å; D169-S173 WeakPolarHBondContact O-CB 3.24Å; D169-S173 PolarHBondContact O-N 3.14Å
170E96.6Very high95.7Very high80 Ų8060 Ų6037%0.37430%0.301SS..Hα-helixtrans-61.1-49.4173.3-173.9-172.7-170.200111.2F165 E166 T167 L172 S173 V174F165-E170 HydrophobicContact CB-CB 4.36Å; F165-E170 HydrophobicContact CB-CG 4.33Å; F165-E170 HydrophobicContact CD1-CG 3.74Å; F165-E170 HydrophobicContact CG-CG 4.38Å; E166-E170 PolarHBondContact N-OE2 3.48Å; T167-E170 WeakPolarHBondContact OG1-CB 3.42Å; T167-E170 PolarHBondContact OG1-N 3.29Å; E170-L172 VanDerWaalsContact C-N 3.31Å; E170-L172 PolarHBondContact O-N 3.22Å; E170-S173 WeakPolarHBondContact O-CB 3.28Å; E170-S173 PolarHBondContact O-N 3.18Å; E170-S173 VanDerWaalsContact O-N 3.16Å; E170-V174 PolarHBondContact O-N 2.98Å
171A97.1Very high95.8Very high6 Ų657.4 Ų57.45%0.0529%0.288CS..Hα-helixtrans-56.3-45.8177.500000111.9V79 V81 F165 T167 V168 C175V79-A171 HydrophobicContact CG1-CB 3.95Å; V81-A171 HydrophobicContact CG2-CB 3.95Å; F165-A171 HydrophobicContact CB-CB 3.97Å; F165-A171 HydrophobicContact CD2-CB 3.48Å; F165-A171 VanDerWaalsContact CD2-CB 3.48Å; F165-A171 HydrophobicContact CE2-CB 4.2Å; F165-A171 HydrophobicContact CG-CB 3.86Å; T167-A171 PolarHBondContact O-N 2.95Å; V168-A171 PolarHBondContact O-N 3.31Å; A171-C175 VanDerWaalsContact O-CB 3.29Å; A171-C175 WeakPolarHBondContact O-CB 3.33Å; A171-C175 PolarHBondContact O-N 2.92Å; A171-C175 PolarHBondContact O-SG 2.91Å
172L97.4Very high95.6Very high84 Ų8459 Ų5944%0.4430%0.296SS..Hα-helixtrans-65.9-39.1178.6-73.4175.9000112.2V168 D169 E170 K176V168-L172 HydrophobicContact CG1-CD1 3.91Å; V168-L172 HydrophobicContact CG1-CG 4.18Å; V168-L172 WeakPolarHBondContact O-CB 3.29Å; V168-L172 VanDerWaalsContact O-CG 3.28Å; V168-L172 WeakPolarHBondContact O-CG 3.39Å; V168-L172 PolarHBondContact O-N 3.03Å; D169-L172 PolarHBondContact O-N 2.91Å; E170-L172 VanDerWaalsContact C-N 3.31Å; E170-L172 PolarHBondContact O-N 3.22Å; L172-K176 WeakPolarHBondContact O-CB 3.42Å; L172-K176 WeakPolarHBondContact O-CG 3.27Å; L172-K176 PolarHBondContact O-N 2.86Å
173S96.3Very high95.3Very high72 Ų7261 Ų6150%0.50332%0.316SS..Hα-helixtrans-60.6-52.6176.8-172.70000110.9D169 E170 C175 K176 E177D169-S173 WeakPolarHBondContact O-CB 3.24Å; D169-S173 PolarHBondContact O-N 3.14Å; E170-S173 WeakPolarHBondContact O-CB 3.28Å; E170-S173 PolarHBondContact O-N 3.18Å; E170-S173 VanDerWaalsContact O-N 3.16Å; S173-C175 PolarHBondContact O-N 3.33Å; S173-K176 PolarHBondContact O-N 3.34Å; S173-E177 PolarHBondContact O-N 3.41Å
174V96Very high94.6Very high9 Ų964.6 Ų64.66%0.05534%0.338CS..Hα-helixtrans-63.3-42.7179.4171.40000111.6I148 V152 F165 E170 K176 E177 L178I148-V174 HydrophobicContact CD1-CG2 4.42Å; I148-V174 HydrophobicContact CG1-CG2 4.45Å; I148-V174 HydrophobicContact CG2-CG1 3.88Å; I148-V174 HydrophobicContact CG2-CG2 4.36Å; V152-V174 HydrophobicContact CG2-CG1 3.79Å; F165-V174 HydrophobicContact CE1-CB 3.9Å; F165-V174 HydrophobicContact CE1-CG1 4.04Å; F165-V174 HydrophobicContact CE1-CG2 3.72Å; F165-V174 HydrophobicContact CZ-CB 3.81Å; F165-V174 HydrophobicContact CZ-CG1 3.66Å; F165-V174 HydrophobicContact CZ-CG2 4.17Å; E170-V174 PolarHBondContact O-N 2.98Å; V174-K176 PolarHBondContact O-N 3.48Å; V174-E177 PolarHBondContact O-N 2.86Å; V174-L178 WeakPolarHBondContact O-CB 3.49Å; V174-L178 PolarHBondContact O-N 3.24Å
175C95.6Very high93.2Very high29 Ų2964.8 Ų64.820%0.19634%0.34CS..Hα-helixtrans-62.9-39.8177.5-72.70000112.9A171 S173 K179A171-C175 VanDerWaalsContact O-CB 3.29Å; A171-C175 WeakPolarHBondContact O-CB 3.33Å; A171-C175 PolarHBondContact O-N 2.92Å; A171-C175 PolarHBondContact O-SG 2.91Å; S173-C175 PolarHBondContact O-N 3.33Å; C175-K179 WeakPolarHBondContact O-CB 3.22Å; C175-K179 VanDerWaalsContact O-CG 3.27Å; C175-K179 WeakPolarHBondContact O-CG 3.39Å; C175-K179 PolarHBondContact O-N 3.29Å
176K95Very high91.7Very high147 Ų14769.6 Ų69.664%0.63937%0.366SS*.Hα-helixtrans-65.8-45.3177.6-77.7171.4-177.11760110.9L172 S173 V174 K179 R180L172-K176 WeakPolarHBondContact O-CB 3.42Å; L172-K176 WeakPolarHBondContact O-CG 3.27Å; L172-K176 PolarHBondContact O-N 2.86Å; S173-K176 PolarHBondContact O-N 3.34Å; V174-K176 PolarHBondContact O-N 3.48Å; K176-K179 PolarHBondContact O-N 2.9Å; K176-R180 WeakPolarHBondContact O-CB 3.43Å; K176-R180 PolarHBondContact O-N 3.26Å
177E94.4Very high89.6Confident37 Ų3764.5 Ų64.517%0.17335%0.349CS..Hα-helixtrans-64.7-44.7179.2179.563.8-176.600111.8V144 D145 I148 S173 V174 K179 R180 G181V144-E177 HydrophobicContact CG1-CG 4.02Å; D145-E177 PolarHBondContact N-OE1 3.37Å; I148-E177 HydrophobicContact CD1-CB 4.28Å; I148-E177 HydrophobicContact CD1-CG 3.99Å; S173-E177 PolarHBondContact O-N 3.41Å; V174-E177 PolarHBondContact O-N 2.86Å; E177-K179 PolarHBondContact O-N 2.94Å; E177-R180 VanDerWaalsContact CD-NH2 3.31Å; E177-R180 WeakPolarHBondContact O-CB 3.14Å; E177-R180 PolarHBondContact O-N 3.33Å; E177-R180 IonicContact OE1-CZ 2.9Å; E177-R180 IonicContact OE1-NE 2.85Å; E177-R180 IonicContact OE1-NH2 2.85Å; E177-R180 PolarHBondContact OE1-NH2 2.86Å; E177-R180 IonicContact OE2-CZ 3.68Å; E177-R180 IonicContact OE2-NE 3.61Å; E177-R180 PolarHBondContact OE2-NE 3.31Å; E177-R180 IonicContact OE2-NH2 3.39Å; E177-R180 PolarHBondContact OE2-NH2 3.33Å; E177-G181 PolarHBondContact O-N 3.42Å
178L94.1Very high86.9Confident11 Ų1167.1 Ų67.16%0.05836%0.36CS..Hα-helixtrans-60-47.2175.8179.456.6000111.7I140 V144 V152 F156 Y161 V174 R180 G181 L182I140-L178 HydrophobicContact CG1-CD1 4.19Å; V144-L178 HydrophobicContact CG2-CD1 4.31Å; V152-L178 HydrophobicContact CG1-CD1 3.56Å; V152-L178 HydrophobicContact CG1-CD2 3.65Å; V152-L178 HydrophobicContact CG1-CG 4.15Å; F156-L178 HydrophobicContact CZ-CD2 4.37Å; Y161-L178 HydrophobicContact CD1-CD2 4.28Å; Y161-L178 HydrophobicContact CD2-CD2 4.2Å; Y161-L178 HydrophobicContact CE1-CD2 4.21Å; Y161-L178 HydrophobicContact CE2-CD2 4.15Å; Y161-L178 HydrophobicContact CG-CD2 4.27Å; V174-L178 WeakPolarHBondContact O-CB 3.49Å; V174-L178 PolarHBondContact O-N 3.24Å; L178-R180 VanDerWaalsContact C-N 3.31Å; L178-R180 PolarHBondContact O-N 3.4Å; L178-G181 PolarHBondContact O-N 2.99Å; L178-L182 HydrophobicContact CD1-CD1 3.79Å; L178-L182 HydrophobicContact CD1-CD2 4.43Å; L178-L182 HydrophobicContact CD1-CG 3.88Å; L178-L182 HydrophobicContact CG-CD1 3.99Å; L178-L182 HydrophobicContact CG-CG 4.42Å; L178-L182 WeakPolarHBondContact O-CG 3.35Å; L178-L182 PolarHBondContact O-N 2.96Å
179K92.7Very high84.4Confident155 Ų15565.9 Ų65.967%0.67435%0.352SS*.Hα-helixtrans-59.6-42.5176.7-77.7177.8179.3-177.70111.7C175 K176 E177 A183C175-K179 WeakPolarHBondContact O-CB 3.22Å; C175-K179 VanDerWaalsContact O-CG 3.27Å; C175-K179 WeakPolarHBondContact O-CG 3.39Å; C175-K179 PolarHBondContact O-N 3.29Å; K176-K179 PolarHBondContact O-N 2.9Å; E177-K179 PolarHBondContact O-N 2.94Å; K179-A183 VanDerWaalsContact O-CB 3.22Å; K179-A183 WeakPolarHBondContact O-CB 3.49Å; K179-A183 PolarHBondContact O-N 3.46Å
180R93Very high83.7Confident136 Ų13662.9 Ų62.951%0.51334%0.336SS..Hα-helixtrans-60-50.7176.2-175.6-172.173.9863.3110.9H143 K176 E177 L178 A183 V184H143-R180 PolarHBondContact O-NH2 2.69Å; K176-R180 WeakPolarHBondContact O-CB 3.43Å; K176-R180 PolarHBondContact O-N 3.26Å; E177-R180 VanDerWaalsContact CD-NH2 3.31Å; E177-R180 WeakPolarHBondContact O-CB 3.14Å; E177-R180 PolarHBondContact O-N 3.33Å; E177-R180 IonicContact OE1-CZ 2.9Å; E177-R180 IonicContact OE1-NE 2.85Å; E177-R180 IonicContact OE1-NH2 2.85Å; E177-R180 PolarHBondContact OE1-NH2 2.86Å; E177-R180 IonicContact OE2-CZ 3.68Å; E177-R180 IonicContact OE2-NE 3.61Å; E177-R180 PolarHBondContact OE2-NE 3.31Å; E177-R180 IonicContact OE2-NH2 3.39Å; E177-R180 PolarHBondContact OE2-NH2 3.33Å; L178-R180 VanDerWaalsContact C-N 3.31Å; L178-R180 PolarHBondContact O-N 3.4Å; R180-A183 PolarHBondContact O-N 2.64Å; R180-V184 WeakPolarHBondContact O-CG2 3.38Å; R180-V184 PolarHBondContact O-N 3.25Å
181G92Very high83Confident0 Ų061.9 Ų61.90%033%0.334CS..Hα-helixtrans-62-45.2-178.800000112.9H143 E177 L178 V184 G185H143-G181 WeakPolarHBondContact CB-O 3.39Å; E177-G181 PolarHBondContact O-N 3.42Å; L178-G181 PolarHBondContact O-N 2.99Å; G181-V184 PolarHBondContact O-N 2.99Å; G181-G185 PolarHBondContact O-N 3.04Å
182L89.6Confident82.3Confident37 Ų3765.1 Ų65.119%0.19435%0.35CS..Hα-helixtrans-67.7-37.3178.5-65.2179.1000112.7L136 I140 L178 V184 G185 D186L136-L182 HydrophobicContact CD1-CD1 4.48Å; L136-L182 HydrophobicContact CD1-CD2 3.68Å; I140-L182 HydrophobicContact CG1-CD2 3.95Å; L178-L182 HydrophobicContact CD1-CD1 3.79Å; L178-L182 HydrophobicContact CD1-CD2 4.43Å; L178-L182 HydrophobicContact CD1-CG 3.88Å; L178-L182 HydrophobicContact CG-CD1 3.99Å; L178-L182 HydrophobicContact CG-CG 4.42Å; L178-L182 WeakPolarHBondContact O-CG 3.35Å; L178-L182 PolarHBondContact O-N 2.96Å; L182-V184 VanDerWaalsContact C-N 3.26Å; L182-V184 PolarHBondContact O-N 3.3Å; L182-G185 PolarHBondContact O-N 3.46Å; L182-G185 VanDerWaalsContact O-N 3.09Å; L182-D186 PolarHBondContact O-N 3.38Å
183A87.9Confident81.4Confident64 Ų6463.9 Ų63.953%0.52935%0.345SS..Hα-helixtrans-66.2-26.6177.800000113.3K179 R180K179-A183 VanDerWaalsContact O-CB 3.22Å; K179-A183 WeakPolarHBondContact O-CB 3.49Å; K179-A183 PolarHBondContact O-N 3.46Å; R180-A183 PolarHBondContact O-N 2.64Å
184V82.2Confident80.4Confident74 Ų7463.4 Ų63.445%0.44834%0.335SS..Hα-helixtrans-71.2-36.3172.5174.70000110.7R180 G181 L182 L188R180-V184 WeakPolarHBondContact O-CG2 3.38Å; R180-V184 PolarHBondContact O-N 3.25Å; G181-V184 PolarHBondContact O-N 2.99Å; L182-V184 VanDerWaalsContact C-N 3.26Å; L182-V184 PolarHBondContact O-N 3.3Å; V184-L188 WeakPolarHBondContact O-CD1 3.37Å
185G68.9Low79.4Confident6 Ų667.1 Ų67.16%0.06235%0.353CS..Hα-helixtrans-77.9-17.3178.400000114.9G181 L182 G187 L188G181-G185 PolarHBondContact O-N 3.04Å; L182-G185 PolarHBondContact O-N 3.46Å; L182-G185 VanDerWaalsContact O-N 3.09Å; G185-G187 VanDerWaalsContact C-N 3.34Å; G185-G187 PolarHBondContact O-N 3.03Å; G185-L188 PolarHBondContact O-N 3.22Å
186D65.8Low78.2Confident101 Ų10169.8 Ų69.854%0.5437%0.365SS..THydrogen-bonded Turntrans-58.992.7177.2-88.5-9.5000110.2Q91 L182Q91-D186 PolarHBondContact OE1-OD1 3.17Å; L182-D186 PolarHBondContact O-N 3.38Å
187G52.8Low76.9Confident26 Ų2663.8 Ų63.827%0.26834%0.344SS..THydrogen-bonded Turntrans116.4-12.2-178.700000116Q93 G185Q93-G187 PolarHBondContact NE2-O 3.28Å; G185-G187 VanDerWaalsContact C-N 3.34Å; G185-G187 PolarHBondContact O-N 3.03Å
188L42.6Very low75.5Confident124 Ų12466.1 Ų66.165%0.64936%0.358SS*.THydrogen-bonded Turntrans-94.2-21.8-179.4-66.6176.4000114V184 G185V184-L188 WeakPolarHBondContact O-CD1 3.37Å; G185-L188 PolarHBondContact O-N 3.22Å
189V44.4Very low73.8Confident59 Ų5971.1 Ų71.136%0.35839%0.385SS..  trans-112.30179.6-158.80000112.2Q93 R120 A135Q93-V189 WeakPolarHBondContact CB-OXT 3.4Å; Q93-V189 WeakPolarHBondContact CG-O 3.43Å; Q93-V189 VanDerWaalsContact N-C 3.34Å; Q93-V189 PolarHBondContact N-O 3.09Å; Q93-V189 PolarHBondContact N-OXT 3.42Å; R120-V189 PolarHBondContact NH1-O 2.8Å; A135-V189 HydrophobicContact CB-CB 4.23Å; A135-V189 HydrophobicContact CB-CG1 3.4Å

Retrieved 189 of 189 residues in 52.2 ms (Link to these results)

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