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NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 7

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession G4LVB0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 116 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
1M64.1Low86.9Confident146 Ų14691.9 Ų91.972%0.71950%0.504SS*.  0147.50-64.3-147.7-52.800108.2L5 K9M1-L5 HydrophobicContact CB-CB 4.22Å; M1-L5 HydrophobicContact CE-CB 3.97Å; M1-L5 HydrophobicContact SD-CB 4.39Å; M1-L5 HydrophobicContact SD-CD1 4.44Å; M1-K9 HydrophobicContact CE-CD 3.44Å; M1-K9 VanDerWaalsContact CE-CD 3.44Å; M1-K9 HydrophobicContact CE-CG 4.42Å
2G86Confident86.9Confident49 Ų4996.6 Ų96.651%0.50552%0.519SS..  trans-63.9156.6178.200000112.1A4 L5 S6G2-A4 VanDerWaalsContact C-N 3.26Å; G2-A4 PolarHBondContact O-N 2.74Å; G2-L5 PolarHBondContact O-N 3.3Å; G2-S6 PolarHBondContact O-N 3.23Å; G2-S6 VanDerWaalsContact O-N 3.15Å; G2-S6 PolarHBondContact O-OG 3.26Å
3H88.1Confident86.9Confident51 Ų5189.8 Ų89.824%0.23648%0.484CS..Hα-helixtrans-49.9-44.9-177.5-175.3-30.2000112.9L5 S6 T7 P15 I17 Y101H3-L5 VanDerWaalsContact C-N 3.27Å; H3-L5 PolarHBondContact O-N 2.93Å; H3-S6 VanDerWaalsContact CA-OG 3.31Å; H3-S6 WeakPolarHBondContact CA-OG 3.44Å; H3-S6 PolarHBondContact O-N 3.01Å; H3-S6 PolarHBondContact O-OG 2.95Å; H3-T7 PolarHBondContact CE1-OG1 3.31Å; H3-T7 PolarHBondContact ND1-OG1 3.24Å; H3-T7 PolarHBondContact O-N 3.19Å; H3-T7 PolarHBondContact O-OG1 3.19Å; H3-T7 VanDerWaalsContact O-OG1 3.08Å; H3-P15 PolarHBondContact CE1-O 2.81Å; H3-P15 VanDerWaalsContact CE1-O 3.24Å; H3-P15 PolarHBondContact NE2-O 3.26Å; H3-I17 WeakPolarHBondContact CD2-CD1 3.42Å; H3-I17 VanDerWaalsContact CD2-CG1 3.42Å; H3-I17 WeakPolarHBondContact CD2-CG1 3.48Å; H3-I17 WeakPolarHBondContact NE2-CD1 3.28Å; H3-I17 WeakPolarHBondContact NE2-CG1 3.44Å; H3-Y101 AromaticContact CD2-CE2 3.46Å; H3-Y101 VanDerWaalsContact CD2-CE2 3.46Å; H3-Y101 WeakPolarHBondContact CD2-CE2 3.45Å; H3-Y101 AromaticContact CD2-CZ 3.53Å; H3-Y101 PolarHBondContact CD2-OH 3.13Å; H3-Y101 PolarHBondContact CE1-OH 3.42Å; H3-Y101 AromaticContact NE2-CE2 3.33Å; H3-Y101 VanDerWaalsContact NE2-CE2 3.33Å; H3-Y101 WeakPolarHBondContact NE2-CE2 3.17Å; H3-Y101 AromaticContact NE2-CZ 3.61Å; H3-Y101 PolarHBondContact NE2-OH 3.1Å
4A89Confident87.2Confident82 Ų8284.4 Ų84.468%0.67845%0.454SS*.Hα-helixtrans-58.6-39.6-179.600000112.5G2 Y8G2-A4 VanDerWaalsContact C-N 3.26Å; G2-A4 PolarHBondContact O-N 2.74Å; A4-Y8 WeakPolarHBondContact O-CB 3.49Å; A4-Y8 PolarHBondContact O-N 3.45Å
5L90.7Very high87.6Confident101 Ų10179.6 Ų79.653%0.52943%0.429SS..Hα-helixtrans-73.3-34.4178.3-70.2173.1000112.4M1 G2 H3 K9M1-L5 HydrophobicContact CB-CB 4.22Å; M1-L5 HydrophobicContact CE-CB 3.97Å; M1-L5 HydrophobicContact SD-CB 4.39Å; M1-L5 HydrophobicContact SD-CD1 4.44Å; G2-L5 PolarHBondContact O-N 3.3Å; H3-L5 VanDerWaalsContact C-N 3.27Å; H3-L5 PolarHBondContact O-N 2.93Å; L5-K9 WeakPolarHBondContact O-CG 3.35Å; L5-K9 PolarHBondContact O-N 3.22Å
6S89.6Confident87.7Confident23 Ų2379.4 Ų79.416%0.16143%0.428CS..Hα-helixtrans-70.8-41.5175.945.40000112G2 H3 Y8 K9 D10 M14G2-S6 PolarHBondContact O-N 3.23Å; G2-S6 VanDerWaalsContact O-N 3.15Å; G2-S6 PolarHBondContact O-OG 3.26Å; H3-S6 VanDerWaalsContact CA-OG 3.31Å; H3-S6 WeakPolarHBondContact CA-OG 3.44Å; H3-S6 PolarHBondContact O-N 3.01Å; H3-S6 PolarHBondContact O-OG 2.95Å; S6-Y8 VanDerWaalsContact C-N 3.32Å; S6-Y8 PolarHBondContact O-N 3.41Å; S6-K9 PolarHBondContact O-N 3.22Å; S6-D10 PolarHBondContact O-N 3.34Å; S6-M14 VanDerWaalsContact OG-CE 3.28Å; S6-M14 WeakPolarHBondContact OG-CE 3.22Å
7T90.8Very high87.8Confident45 Ų4581.5 Ų81.528%0.27644%0.437SS..Hα-helixtrans-67.8-33.9176.9-54.50000112.1H3 K9 P11 M14H3-T7 PolarHBondContact CE1-OG1 3.31Å; H3-T7 PolarHBondContact ND1-OG1 3.24Å; H3-T7 PolarHBondContact O-N 3.19Å; H3-T7 PolarHBondContact O-OG1 3.19Å; H3-T7 VanDerWaalsContact O-OG1 3.08Å; T7-K9 VanDerWaalsContact C-N 3.3Å; T7-K9 PolarHBondContact O-N 3.2Å; T7-P11 WeakPolarHBondContact O-CA 3.49Å; T7-M14 HydrophobicContact CG2-CB 4.43Å
8Y90.2Very high87.9Confident201 Ų20187.6 Ų87.679%0.78846%0.46SS*.Hα-helixtrans-63.8-35.2173.1177.9-100.6000112.7A4 S6A4-Y8 WeakPolarHBondContact O-CB 3.49Å; A4-Y8 PolarHBondContact O-N 3.45Å; S6-Y8 VanDerWaalsContact C-N 3.32Å; S6-Y8 PolarHBondContact O-N 3.41Å
9K91.2Very high87.9Confident128 Ų12888.6 Ų88.656%0.55747%0.47SS*.Hα-helixtrans-74.8-51.7178.2-74.8-175.8174.7-178.60112M1 L5 S6 T7M1-K9 HydrophobicContact CE-CD 3.44Å; M1-K9 VanDerWaalsContact CE-CD 3.44Å; M1-K9 HydrophobicContact CE-CG 4.42Å; L5-K9 WeakPolarHBondContact O-CG 3.35Å; L5-K9 PolarHBondContact O-N 3.22Å; S6-K9 PolarHBondContact O-N 3.22Å; T7-K9 VanDerWaalsContact C-N 3.3Å; T7-K9 PolarHBondContact O-N 3.2Å
10D87.8Confident87.9Confident97 Ų9785.8 Ų85.852%0.51946%0.464SS..  trans-133.178.2-171.4-54.5-46.1000110.3S6 E12 S13 M14S6-D10 PolarHBondContact O-N 3.34Å; D10-E12 VanDerWaalsContact C-N 3.3Å; D10-E12 PolarHBondContact O-N 2.92Å; D10-S13 WeakPolarHBondContact CB-OG 3.48Å; D10-S13 PolarHBondContact O-N 3.45Å; D10-S13 PolarHBondContact O-OG 2.89Å; D10-M14 VanDerWaalsContact O-CG 3.29Å; D10-M14 WeakPolarHBondContact O-CG 3.41Å
11P88.9Confident88Confident88 Ų8886.2 Ų86.257%0.57147%0.471SS*.THydrogen-bonded Turntrans-64.6-31.8-172.224.6-33.9000113.4T7 S13T7-P11 WeakPolarHBondContact O-CA 3.49Å; P11-S13 VanDerWaalsContact C-N 3.35Å; P11-S13 PolarHBondContact O-N 3.06Å
12E86.4Confident89.3Confident148 Ų14883.7 Ų83.769%0.69246%0.463SS*.THydrogen-bonded Turntrans-73.1-27.7-176.2-61.9-175.8175.300113.4D10 T112D10-E12 VanDerWaalsContact C-N 3.3Å; D10-E12 PolarHBondContact O-N 2.92Å; E12-T112 HydrophobicContact CB-CG2 4.11Å
13S86.8Confident89.6Confident9 Ų983.2 Ų83.26%0.06345%0.448CS..THydrogen-bonded Turntrans-95.9-8.8-174.672.60000114.2D10 P11 H109D10-S13 WeakPolarHBondContact CB-OG 3.48Å; D10-S13 PolarHBondContact O-N 3.45Å; D10-S13 PolarHBondContact O-OG 2.89Å; P11-S13 VanDerWaalsContact C-N 3.35Å; P11-S13 PolarHBondContact O-N 3.06Å; S13-H109 WeakPolarHBondContact CB-CE1 3.37Å; S13-H109 VanDerWaalsContact CB-ND1 3.35Å; S13-H109 WeakPolarHBondContact CB-ND1 3.39Å; S13-H109 PolarHBondContact OG-CE1 3.05Å; S13-H109 VanDerWaalsContact OG-CE1 3.26Å
14M90.9Very high89.9Confident14 Ų1486 Ų867%0.06946%0.464CS..SBendtrans-103.6131.1-175.3-66.9-61-53.200110.3S6 T7 D10 Y101 R105S6-M14 VanDerWaalsContact OG-CE 3.28Å; S6-M14 WeakPolarHBondContact OG-CE 3.22Å; T7-M14 HydrophobicContact CG2-CB 4.43Å; D10-M14 VanDerWaalsContact O-CG 3.29Å; D10-M14 WeakPolarHBondContact O-CG 3.41Å; M14-Y101 WeakPolarHBondContact CE-OH 3.33Å; M14-R105 HydrophobicContact SD-CG 4.23Å
15P92.9Very high90Very high12 Ų1285.6 Ų85.68%0.07846%0.455CS..PPolyproline II helixtrans-68.9146.117730.1-35.6000110.5H3 Y101 E104 R105 L108H3-P15 PolarHBondContact CE1-O 2.81Å; H3-P15 VanDerWaalsContact CE1-O 3.24Å; H3-P15 PolarHBondContact NE2-O 3.26Å; P15-Y101 HydrophobicContact CB-CE2 4.49Å; P15-Y101 HydrophobicContact CG-CD2 3.78Å; P15-Y101 HydrophobicContact CG-CE1 4.34Å; P15-Y101 HydrophobicContact CG-CE2 3.41Å; P15-Y101 VanDerWaalsContact CG-CE2 3.41Å; P15-Y101 HydrophobicContact CG-CG 4.4Å; P15-E104 HydrophobicContact CB-CB 3.88Å; P15-E104 HydrophobicContact CG-CB 4.35Å; P15-R105 HydrophobicContact CG-CB 4.16Å; P15-L108 HydrophobicContact CB-CD1 4.11Å
16D89.9Confident90.1Very high77 Ų7785 Ų8541%0.41246%0.455SS..PPolyproline II helixtrans-88.5131.2175.4173.424.9000110.6F18 T19D16-F18 VanDerWaalsContact C-N 3.29Å; D16-F18 PolarHBondContact O-N 3.28Å; D16-F18 PolarHBondContact OD1-N 3.48Å; D16-F18 VanDerWaalsContact OD1-N 3.11Å; D16-T19 VanDerWaalsContact CB-OG1 3.29Å; D16-T19 WeakPolarHBondContact CB-OG1 3.46Å; D16-T19 VanDerWaalsContact CG-OG1 3.26Å; D16-T19 WeakPolarHBondContact OD2-CB 3.28Å; D16-T19 WeakPolarHBondContact OD2-CG2 3.4Å; D16-T19 PolarHBondContact OD2-N 3.2Å; D16-T19 PolarHBondContact OD2-OG1 3Å
17I89.1Confident90.1Very high114 Ų11487.5 Ų87.559%0.58547%0.467SS*.THydrogen-bonded Turntrans-74-24.7-174.9-44175.8000111.1H3H3-I17 WeakPolarHBondContact CD2-CD1 3.42Å; H3-I17 VanDerWaalsContact CD2-CG1 3.42Å; H3-I17 WeakPolarHBondContact CD2-CG1 3.48Å; H3-I17 WeakPolarHBondContact NE2-CD1 3.28Å; H3-I17 WeakPolarHBondContact NE2-CG1 3.44Å
18F89.5Confident89.9Confident191 Ų19189 Ų8984%0.83849%0.491SS*.THydrogen-bonded Turntrans-90.6-34.7-173.6-62.4-72.7000113.4D16D16-F18 VanDerWaalsContact C-N 3.29Å; D16-F18 PolarHBondContact O-N 3.28Å; D16-F18 PolarHBondContact OD1-N 3.48Å; D16-F18 VanDerWaalsContact OD1-N 3.11Å
19T88.1Confident90Very high107 Ų10783.2 Ų83.266%0.65647%0.47SS*.THydrogen-bonded Turntrans-83.5-18.2-176.243.70000113.8D16D16-T19 VanDerWaalsContact CB-OG1 3.29Å; D16-T19 WeakPolarHBondContact CB-OG1 3.46Å; D16-T19 VanDerWaalsContact CG-OG1 3.26Å; D16-T19 WeakPolarHBondContact OD2-CB 3.28Å; D16-T19 WeakPolarHBondContact OD2-CG2 3.4Å; D16-T19 PolarHBondContact OD2-N 3.2Å; D16-T19 PolarHBondContact OD2-OG1 3Å
20G88Confident90Very high33 Ų3383.5 Ų83.534%0.3449%0.485SS..  trans85.2-172.5-179.600000113.1
21P91.1Very high90Very high95 Ų9588.2 Ų88.262%0.61750%0.504SS*.  trans-69136.9-178.428.9-33.7000111.4E104P21-E104 WeakPolarHBondContact CA-OE2 3.06Å; P21-E104 HydrophobicContact CB-CG 4.17Å
22V91.3Very high90Very high93 Ų9385.8 Ų85.856%0.56449%0.494SS*.  trans-93.1-30.8-179.9179.40000111.2E104V22-E104 PolarHBondContact N-OE2 3.36Å
23F92.5Very high90.1Very high39 Ų3982.3 Ų82.317%0.17148%0.475CS..SBendtrans-89.4151.7-178.9-60.3-82.5000111.9E104 L107 L108F23-E104 WeakPolarHBondContact CD2-OE2 3.49Å; F23-L107 HydrophobicContact CB-CD1 3.76Å; F23-L107 HydrophobicContact CD1-CB 4.22Å; F23-L107 HydrophobicContact CD1-CD1 4.26Å; F23-L107 HydrophobicContact CD2-CB 3.48Å; F23-L107 VanDerWaalsContact CD2-CB 3.48Å; F23-L107 HydrophobicContact CD2-CD1 3.7Å; F23-L107 HydrophobicContact CD2-CG 4.24Å; F23-L107 HydrophobicContact CE1-CB 4.02Å; F23-L107 HydrophobicContact CE2-CB 3.26Å; F23-L107 HydrophobicContact CE2-CD1 4.38Å; F23-L107 HydrophobicContact CE2-CG 4.45Å; F23-L107 HydrophobicContact CG-CB 3.97Å; F23-L107 HydrophobicContact CG-CD1 3.64Å; F23-L107 HydrophobicContact CG-CG 4.41Å; F23-L107 HydrophobicContact CZ-CB 3.56Å; F23-L108 HydrophobicContact CE2-CD2 3.84Å; F23-L108 HydrophobicContact CE2-CG 3.93Å; F23-L108 HydrophobicContact CZ-CD2 4.04Å; F23-L108 HydrophobicContact CZ-CG 4.45Å
24D92.7Very high90.3Very high110 Ų11089.2 Ų89.259%0.58851%0.511SS*.  trans-64.6137.8178-74.8-24.3000109.9V26 D27 R103D24-V26 PolarHBondContact O-N 3.3Å; D24-D27 PolarHBondContact N-OD2 2.99Å; D24-D27 WeakPolarHBondContact O-CB 3.41Å; D24-D27 PolarHBondContact O-N 2.93Å; D24-R103 PolarHBondContact O-NH2 3.24Å
25P92.3Very high90.3Very high73 Ų7399.7 Ų99.747%0.47455%0.55SS.*THydrogen-bonded Turntrans-62.4-17.8-178.5-25.734.2000114.7F29P25-F29 WeakPolarHBondContact O-CD2 3.46Å
26V91.6Very high90.3Very high89 Ų89103.3 Ų103.354%0.53956%0.562SS.*THydrogen-bonded Turntrans-89.1-17.6-179.9-173.30000111.4D24 G28 F29D24-V26 PolarHBondContact O-N 3.3Å; V26-G28 PolarHBondContact O-N 3.19Å; V26-F29 PolarHBondContact O-N 3.18Å
27D89.6Confident90.3Very high75 Ų75107.7 Ų107.740%0.40158%0.58SS.*THydrogen-bonded Turntrans-61.9122.8-179.5-72.3-18.5000111.2D24 R103D24-D27 PolarHBondContact N-OD2 2.99Å; D24-D27 WeakPolarHBondContact O-CB 3.41Å; D24-D27 PolarHBondContact O-N 2.93Å; D27-R103 PolarHBondContact O-NH2 2.94Å
28G88.1Confident90.5Very high77 Ų77107.5 Ų107.579%0.79458%0.575SS**THydrogen-bonded Turntrans87.82.7-176.400000115.2V26 P30V26-G28 PolarHBondContact O-N 3.19Å; G28-P30 WeakPolarHBondContact O-CD 3.42Å
29F92.3Very high90.6Very high79 Ų79104 Ų10435%0.34656%0.564SS.*  trans-115.489.4175.3-62.8-80.7000110.6P25 V26 E31 G32P25-F29 WeakPolarHBondContact O-CD2 3.46Å; V26-F29 PolarHBondContact O-N 3.18Å; F29-E31 VanDerWaalsContact C-N 3.3Å; F29-E31 PolarHBondContact O-N 3.4Å; F29-G32 PolarHBondContact O-N 3.05Å
30P89.6Confident90.8Very high134 Ų134100.3 Ų100.387%0.8754%0.54SS*.THydrogen-bonded Turntrans-65.1-30.2-172.125.7-34.5000113.9G28 G32G28-P30 WeakPolarHBondContact O-CD 3.42Å; P30-G32 VanDerWaalsContact C-N 3.29Å
31E89.4Confident91.1Very high196 Ų196102.2 Ų102.292%0.91655%0.545SS*.THydrogen-bonded Turntrans-88.93.6177.7-63.4178.5-179.600112.7F29F29-E31 VanDerWaalsContact C-N 3.3Å; F29-E31 PolarHBondContact O-N 3.4Å
32G88Confident91.1Very high36 Ų36104.9 Ų104.937%0.37155%0.55SS..  trans81.3172.3-16900000112.6F29 P30F29-G32 PolarHBondContact O-N 3.05Å; P30-G32 VanDerWaalsContact C-N 3.29Å
33R89.7Confident91.3Very high76 Ų76108 Ų10829%0.28756%0.558SS.*  trans-111.9126.7-178.1-176.7176.8171.3158.32.5109.9R35 H96 E100R33-R35 PolarHBondContact O-N 3.04Å; R33-H96 PolarHBondContact NH2-CE1 3.45Å; R33-H96 PolarHBondContact NH2-NE2 3.44Å; R33-E100 IonicContact CZ-OE1 3.51Å; R33-E100 VanDerWaalsContact CZ-OE1 3.23Å; R33-E100 IonicContact CZ-OE2 3.23Å; R33-E100 VanDerWaalsContact NH1-CD 3.29Å; R33-E100 IonicContact NH1-OE1 2.89Å; R33-E100 PolarHBondContact NH1-OE1 3.35Å; R33-E100 IonicContact NH1-OE2 3.74Å; R33-E100 PolarHBondContact NH1-OE2 2.98Å; R33-E100 VanDerWaalsContact NH2-CD 3.28Å; R33-E100 IonicContact NH2-OE1 2.59Å; R33-E100 PolarHBondContact NH2-OE1 3.38Å; R33-E100 IonicContact NH2-OE2 3.03Å
34N90.5Very high91.4Very high154 Ų154110.7 Ų110.782%0.82457%0.571SS**PPolyproline II helixtrans-61.7129.9175-68.2-14.3000110.2
35R90.9Very high91.5Very high234 Ų234105.8 Ų105.888%0.88355%0.545SS*.PPolyproline II helixtrans-70.5145.5174.7-66.9-173.2178.2-155.6-0.6109.4R33R33-R35 PolarHBondContact O-N 3.04Å
36R92.2Very high91.6Very high87 Ų87107 Ų10733%0.32855%0.546SS..PPolyproline II helixtrans-76.3126.8173-63.9-177.967.5176.22.6108.5Y57 D93R36-Y57 HydrophobicContact CB-CD1 3.87Å; R36-Y57 HydrophobicContact CB-CE1 3.31Å; R36-Y57 HydrophobicContact CG-CE1 4.44Å; R36-D93 IonicContact CZ-OD1 3.91Å; R36-D93 IonicContact NH1-OD1 3.94Å; R36-D93 PolarHBondContact NH1-OD1 2.88Å; R36-D93 IonicContact NH2-OD1 2.65Å; R36-D93 PolarHBondContact NH2-OD1 3.49Å
37E90.5Very high91.7Very high170 Ų170107.1 Ų107.179%0.79456%0.556SS**PPolyproline II helixtrans-85.5132.8-178.1-64.2175.9178.900110.3
38F91.9Very high92Very high109 Ų109105.1 Ų105.148%0.47855%0.55SS.*PPolyproline II helixtrans-88123.7166-81.4-85.6000108.6Y57F38-Y57 HydrophobicContact CD1-CD1 4.09Å; F38-Y57 HydrophobicContact CD1-CE1 4.4Å; F38-Y57 HydrophobicContact CD2-CD1 4.03Å; F38-Y57 AromaticContact CD2-CE1 3.6Å; F38-Y57 HydrophobicContact CD2-CE1 3.6Å; F38-Y57 AromaticContact CE1-CD1 3.88Å; F38-Y57 HydrophobicContact CE1-CD1 3.88Å; F38-Y57 HydrophobicContact CE1-CE1 4.06Å; F38-Y57 HydrophobicContact CE1-CG 4.23Å; F38-Y57 AromaticContact CE2-CD1 3.84Å; F38-Y57 HydrophobicContact CE2-CD1 3.84Å; F38-Y57 AromaticContact CE2-CE1 3.18Å; F38-Y57 HydrophobicContact CE2-CE1 3.18Å; F38-Y57 HydrophobicContact CE2-CE2 4.5Å; F38-Y57 AromaticContact CE2-CZ 3.58Å; F38-Y57 HydrophobicContact CG-CD1 4.17Å; F38-Y57 HydrophobicContact CG-CE1 4.2Å; F38-Y57 AromaticContact CZ-CD1 3.75Å; F38-Y57 HydrophobicContact CZ-CD1 3.75Å; F38-Y57 HydrophobicContact CZ-CD2 4.41Å; F38-Y57 AromaticContact CZ-CE1 3.44Å; F38-Y57 HydrophobicContact CZ-CE1 3.44Å; F38-Y57 VanDerWaalsContact CZ-CE1 3.44Å; F38-Y57 HydrophobicContact CZ-CE2 4.14Å; F38-Y57 HydrophobicContact CZ-CG 4.23Å; F38-Y57 AromaticContact CZ-CZ 3.65Å
39I93Very high92.2Very high117 Ų117103.9 Ų103.960%0.654%0.538SS*.SBendtrans-80.2-31178.8-61.2178.1000111.3H60I39-H60 HydrophobicContact CB-CB 4.23Å; I39-H60 HydrophobicContact CG2-CB 4.19Å
40L91.2Very high92.4Very high31 Ų31100.2 Ų100.216%0.16252%0.522CS..SBendtrans-104.7147.7177.4-68.6178.4000110.6E44 M45 A59 H60 L63L40-E44 VanDerWaalsContact CD2-OE2 3.31Å; L40-E44 WeakPolarHBondContact CD2-OE2 3.03Å; L40-M45 HydrophobicContact CB-CG 4.11Å; L40-M45 HydrophobicContact CD1-CG 4.19Å; L40-A59 HydrophobicContact CD1-CB 4.28Å; L40-H60 HydrophobicContact CD1-CB 4.12Å; L40-H60 HydrophobicContact CG-CB 3.96Å; L40-L63 HydrophobicContact CD1-CB 4.45Å; L40-L63 HydrophobicContact CD1-CD2 4.06Å; L40-L63 HydrophobicContact CD2-CD2 4.42Å
41T94.2Very high92.6Very high72 Ų7299.2 Ų99.244%0.44250%0.504SS..  trans-76.6157.1170.165.40000111.2E43 E44 M45T41-E43 VanDerWaalsContact C-N 3.29Å; T41-E43 PolarHBondContact O-N 3.31Å; T41-E44 PolarHBondContact N-OE2 3.39Å; T41-E44 PolarHBondContact O-N 3.44Å; T41-E44 WeakPolarHBondContact OG1-CB 3.31Å; T41-E44 WeakPolarHBondContact OG1-CG 3.34Å; T41-E44 PolarHBondContact OG1-N 3Å; T41-M45 WeakPolarHBondContact O-CG 3.28Å; T41-M45 PolarHBondContact O-N 2.8Å
42E92.4Very high92.8Very high152 Ų15294.8 Ų94.871%0.7149%0.492SS*.Hα-helixtrans-62.4-38.1177-67.3-174.4177.800112.3M45 I46E42-M45 HydrophobicContact CB-CE 4.46Å; E42-M45 HydrophobicContact CG-CE 4.13Å; E42-M45 PolarHBondContact O-N 3.19Å; E42-I46 WeakPolarHBondContact O-CG1 3.5Å; E42-I46 PolarHBondContact O-N 2.99Å
43E94.3Very high93.1Very high159 Ų159100 Ų10074%0.74350%0.501SS*.Hα-helixtrans-61.8-43.4177.4-63-179.7179.600111.6T41 M45 I46 A47T41-E43 VanDerWaalsContact C-N 3.29Å; T41-E43 PolarHBondContact O-N 3.31Å; E43-M45 VanDerWaalsContact C-N 3.34Å; E43-M45 PolarHBondContact O-N 3.15Å; E43-I46 PolarHBondContact O-N 2.85Å; E43-A47 WeakPolarHBondContact O-CB 3.29Å; E43-A47 PolarHBondContact O-N 2.92Å
44E94.2Very high93.3Very high95 Ų9597.5 Ų97.544%0.44449%0.493SS..Hα-helixtrans-61.7-40.3174.4-75.9165.2-171.400112.2L40 T41 I46 A47 A48L40-E44 VanDerWaalsContact CD2-OE2 3.31Å; L40-E44 WeakPolarHBondContact CD2-OE2 3.03Å; T41-E44 PolarHBondContact N-OE2 3.39Å; T41-E44 PolarHBondContact O-N 3.44Å; T41-E44 WeakPolarHBondContact OG1-CB 3.31Å; T41-E44 WeakPolarHBondContact OG1-CG 3.34Å; T41-E44 PolarHBondContact OG1-N 3Å; E44-I46 VanDerWaalsContact C-N 3.35Å; E44-A47 PolarHBondContact O-N 3.17Å; E44-A48 VanDerWaalsContact O-CB 3.3Å; E44-A48 WeakPolarHBondContact O-CB 3.4Å; E44-A48 PolarHBondContact O-N 3.47Å
45M94.7Very high93.5Very high7 Ų794.2 Ų94.23%0.03447%0.469CS..Hα-helixtrans-66.8-36.9178-69.4-167.4-71.800112.4L40 T41 E42 E43 L50 R55 A59L40-M45 HydrophobicContact CB-CG 4.11Å; L40-M45 HydrophobicContact CD1-CG 4.19Å; T41-M45 WeakPolarHBondContact O-CG 3.28Å; T41-M45 PolarHBondContact O-N 2.8Å; E42-M45 HydrophobicContact CB-CE 4.46Å; E42-M45 HydrophobicContact CG-CE 4.13Å; E42-M45 PolarHBondContact O-N 3.19Å; E43-M45 VanDerWaalsContact C-N 3.34Å; E43-M45 PolarHBondContact O-N 3.15Å; M45-L50 HydrophobicContact CB-CD1 3.97Å; M45-L50 HydrophobicContact CG-CD1 3.96Å; M45-L50 WeakPolarHBondContact O-CB 3.36Å; M45-L50 PolarHBondContact O-N 3.08Å; M45-L50 VanDerWaalsContact O-N 3.15Å; M45-R55 HydrophobicContact CB-CG 4.23Å; M45-R55 HydrophobicContact CE-CB 4.17Å; M45-R55 HydrophobicContact SD-CB 3.81Å; M45-R55 HydrophobicContact SD-CG 4.1Å; M45-A59 HydrophobicContact CG-CB 4.41Å; M45-A59 HydrophobicContact SD-CB 3.68Å
46I95.2Very high93.6Very high99 Ų9985 Ų8551%0.50844%0.437SS..Hα-helixtrans-69.5-46175.2-66.6166.2000110E42 E43 E44 A48 G49E42-I46 WeakPolarHBondContact O-CG1 3.5Å; E42-I46 PolarHBondContact O-N 2.99Å; E43-I46 PolarHBondContact O-N 2.85Å; E44-I46 VanDerWaalsContact C-N 3.35Å; I46-A48 PolarHBondContact O-N 3.06Å; I46-G49 PolarHBondContact O-N 3.21Å
47A94.9Very high93.7Very high90 Ų9084.6 Ų84.674%0.74444%0.436SS*.Hα-helixtrans-60.1-34.7177.200000112.2E43 E44 G49E43-A47 WeakPolarHBondContact O-CB 3.29Å; E43-A47 PolarHBondContact O-N 2.92Å; E44-A47 PolarHBondContact O-N 3.17Å; A47-G49 PolarHBondContact O-N 3.3Å
48A94Very high94Very high33 Ų3376.5 Ų76.527%0.27340%0.399SS..THydrogen-bonded Turntrans-74.1-1.8174.200000114.6E44 I46 L50 L63E44-A48 VanDerWaalsContact O-CB 3.3Å; E44-A48 WeakPolarHBondContact O-CB 3.4Å; E44-A48 PolarHBondContact O-N 3.47Å; I46-A48 PolarHBondContact O-N 3.06Å; A48-L50 VanDerWaalsContact C-N 3.28Å; A48-L50 HydrophobicContact CB-CG 4.33Å; A48-L50 PolarHBondContact O-N 2.97Å; A48-L63 HydrophobicContact CB-CD1 3.64Å; A48-L63 HydrophobicContact CB-CD2 4.47Å
49G94.3Very high94.2Very high52 Ų5271.4 Ų71.454%0.53638%0.377SS..THydrogen-bonded Turntrans65.728.4-17900000113.6I46 A47I46-G49 PolarHBondContact O-N 3.21Å; A47-G49 PolarHBondContact O-N 3.3Å
50L94.6Very high94.3Very high2 Ų268.4 Ų68.41%0.0136%0.36CS..  trans-69.9134.7174.6-69.5171.9000110.2M45 A48 E54 R55 A59 L62M45-L50 HydrophobicContact CB-CD1 3.97Å; M45-L50 HydrophobicContact CG-CD1 3.96Å; M45-L50 WeakPolarHBondContact O-CB 3.36Å; M45-L50 PolarHBondContact O-N 3.08Å; M45-L50 VanDerWaalsContact O-N 3.15Å; A48-L50 VanDerWaalsContact C-N 3.28Å; A48-L50 HydrophobicContact CB-CG 4.33Å; A48-L50 PolarHBondContact O-N 2.97Å; L50-E54 HydrophobicContact CB-CB 4.37Å; L50-E54 HydrophobicContact CD2-CB 4.1Å; L50-R55 HydrophobicContact CB-CG 3.97Å; L50-R55 VanDerWaalsContact O-CZ 3.29Å; L50-R55 PolarHBondContact O-NE 2.76Å; L50-R55 PolarHBondContact O-NH2 2.78Å; L50-A59 HydrophobicContact CD1-CB 4.06Å; L50-L62 HydrophobicContact CD2-CD2 3.66Å; L50-L62 HydrophobicContact CD2-CG 4.16Å
51K95.3Very high94.5Very high113 Ų11368.4 Ų68.449%0.49136%0.36SS..  trans-72156.8174.3-65.8178.3-173.2174.60110.2Y53 E54 R55K51-Y53 VanDerWaalsContact C-N 3.26Å; K51-Y53 HydrophobicContact CB-CD1 3.9Å; K51-Y53 HydrophobicContact CB-CE1 3.59Å; K51-Y53 HydrophobicContact CD-CD1 4.45Å; K51-Y53 HydrophobicContact CD-CE1 3.39Å; K51-Y53 VanDerWaalsContact CD-OH 3.28Å; K51-Y53 WeakPolarHBondContact CD-OH 3.37Å; K51-Y53 HydrophobicContact CG-CE1 4.17Å; K51-Y53 PolarHBondContact NZ-OH 2.89Å; K51-Y53 PolarHBondContact O-N 3.42Å; K51-Y53 VanDerWaalsContact O-N 3.13Å; K51-E54 HydrophobicContact CB-CG 4.21Å; K51-E54 PolarHBondContact N-OE2 3.45Å; K51-E54 WeakPolarHBondContact O-CB 3.33Å; K51-E54 PolarHBondContact O-N 3.46Å; K51-R55 WeakPolarHBondContact O-CG 3.41Å; K51-R55 PolarHBondContact O-N 3.01Å
52P93.4Very high94.6Very high103 Ų10365.6 Ų65.667%0.66934%0.342SS*.G310 helixtrans-53.1-39.4-176.1-28.435.6000114.5E54 R55P52-E54 PolarHBondContact O-N 3.23Å; P52-R55 PolarHBondContact O-N 3.46Å
53Y93.3Very high94.7Very high144 Ų14459.8 Ų59.857%0.56532%0.316SS*.G310 helixtrans-73.8-9.7178.768.9-99.1000114.4K51K51-Y53 VanDerWaalsContact C-N 3.26Å; K51-Y53 HydrophobicContact CB-CD1 3.9Å; K51-Y53 HydrophobicContact CB-CE1 3.59Å; K51-Y53 HydrophobicContact CD-CD1 4.45Å; K51-Y53 HydrophobicContact CD-CE1 3.39Å; K51-Y53 VanDerWaalsContact CD-OH 3.28Å; K51-Y53 WeakPolarHBondContact CD-OH 3.37Å; K51-Y53 HydrophobicContact CG-CE1 4.17Å; K51-Y53 PolarHBondContact NZ-OH 2.89Å; K51-Y53 PolarHBondContact O-N 3.42Å; K51-Y53 VanDerWaalsContact O-N 3.13Å
54E94.1Very high94.7Very high25 Ų2553.8 Ų53.812%0.11729%0.294CS..G310 helixtrans-95.6-13.6178.6-60179.214900112.1L50 K51 P52 D56 L62 R66L50-E54 HydrophobicContact CB-CB 4.37Å; L50-E54 HydrophobicContact CD2-CB 4.1Å; K51-E54 HydrophobicContact CB-CG 4.21Å; K51-E54 PolarHBondContact N-OE2 3.45Å; K51-E54 WeakPolarHBondContact O-CB 3.33Å; K51-E54 PolarHBondContact O-N 3.46Å; P52-E54 PolarHBondContact O-N 3.23Å; E54-D56 PolarHBondContact O-N 3.46Å; E54-L62 HydrophobicContact CB-CD2 3.77Å; E54-L62 HydrophobicContact CG-CD2 4.16Å; E54-R66 IonicContact OE1-NH2 2.7Å; E54-R66 PolarHBondContact OE1-NH2 3.34Å; E54-R66 IonicContact OE2-CZ 3.15Å; E54-R66 IonicContact OE2-NH1 2.74Å; E54-R66 IonicContact OE2-NH2 2.71Å; E54-R66 PolarHBondContact OE2-NH2 3.19Å
55R94.3Very high94.7Very high85 Ų8552.1 Ų52.132%0.32129%0.285SS..  trans-83.146.8-175.9-60.4177.5-167.6170.5-0.1112.3M45 L50 K51 P52M45-R55 HydrophobicContact CB-CG 4.23Å; M45-R55 HydrophobicContact CE-CB 4.17Å; M45-R55 HydrophobicContact SD-CB 3.81Å; M45-R55 HydrophobicContact SD-CG 4.1Å; L50-R55 HydrophobicContact CB-CG 3.97Å; L50-R55 VanDerWaalsContact O-CZ 3.29Å; L50-R55 PolarHBondContact O-NE 2.76Å; L50-R55 PolarHBondContact O-NH2 2.78Å; K51-R55 WeakPolarHBondContact O-CG 3.41Å; K51-R55 PolarHBondContact O-N 3.01Å; P52-R55 PolarHBondContact O-N 3.46Å
56D93.9Very high94.7Very high40 Ų4055.6 Ų55.621%0.21430%0.298CS..SBendtrans-89.5174.2175.9-63.4-19000110.9E54 C58 A59 K90E54-D56 PolarHBondContact O-N 3.46Å; D56-C58 PolarHBondContact O-N 3Å; D56-A59 WeakPolarHBondContact O-CB 3.41Å; D56-A59 PolarHBondContact O-N 3.47Å; D56-K90 IonicContact OD2-NZ 3.65Å; D56-K90 PolarHBondContact OD2-NZ 3.45Å
57Y94.8Very high94.6Very high78 Ų7856.6 Ų56.631%0.30630%0.298SS..THydrogen-bonded Turntrans-51.2-26.1173.4-64.7-82000114.1R36 F38 A59 H60R36-Y57 HydrophobicContact CB-CD1 3.87Å; R36-Y57 HydrophobicContact CB-CE1 3.31Å; R36-Y57 HydrophobicContact CG-CE1 4.44Å; F38-Y57 HydrophobicContact CD1-CD1 4.09Å; F38-Y57 HydrophobicContact CD1-CE1 4.4Å; F38-Y57 HydrophobicContact CD2-CD1 4.03Å; F38-Y57 AromaticContact CD2-CE1 3.6Å; F38-Y57 HydrophobicContact CD2-CE1 3.6Å; F38-Y57 AromaticContact CE1-CD1 3.88Å; F38-Y57 HydrophobicContact CE1-CD1 3.88Å; F38-Y57 HydrophobicContact CE1-CE1 4.06Å; F38-Y57 HydrophobicContact CE1-CG 4.23Å; F38-Y57 AromaticContact CE2-CD1 3.84Å; F38-Y57 HydrophobicContact CE2-CD1 3.84Å; F38-Y57 AromaticContact CE2-CE1 3.18Å; F38-Y57 HydrophobicContact CE2-CE1 3.18Å; F38-Y57 HydrophobicContact CE2-CE2 4.5Å; F38-Y57 AromaticContact CE2-CZ 3.58Å; F38-Y57 HydrophobicContact CG-CD1 4.17Å; F38-Y57 HydrophobicContact CG-CE1 4.2Å; F38-Y57 AromaticContact CZ-CD1 3.75Å; F38-Y57 HydrophobicContact CZ-CD1 3.75Å; F38-Y57 HydrophobicContact CZ-CD2 4.41Å; F38-Y57 AromaticContact CZ-CE1 3.44Å; F38-Y57 HydrophobicContact CZ-CE1 3.44Å; F38-Y57 VanDerWaalsContact CZ-CE1 3.44Å; F38-Y57 HydrophobicContact CZ-CE2 4.14Å; F38-Y57 HydrophobicContact CZ-CG 4.23Å; F38-Y57 AromaticContact CZ-CZ 3.65Å; Y57-A59 VanDerWaalsContact C-N 3.34Å; Y57-H60 PolarHBondContact O-CE1 2.89Å; Y57-H60 VanDerWaalsContact O-CE1 3.27Å; Y57-H60 PolarHBondContact O-ND1 2.96Å
58C95.5Very high94.6Very high1 Ų153 Ų531%0.00727%0.267CS..THydrogen-bonded Turntrans-85.24.5177.9-61.10000114.8D56 H60 L61 L62 Y86 C89 K90D56-C58 PolarHBondContact O-N 3Å; C58-H60 PolarHBondContact O-N 3.05Å; C58-L61 PolarHBondContact O-N 3Å; C58-L62 PolarHBondContact O-N 3.24Å; C58-Y86 HydrophobicContact CB-CD2 4.45Å; C58-Y86 HydrophobicContact CB-CE2 4.3Å; C58-C89 VanDerWaalsContact CA-SG 3.52Å; C58-C89 HydrophobicContact CB-CB 3.85Å; C58-C89 WeakPolarHBondContact CB-SG 3.5Å; C58-C89 WeakPolarHBondContact SG-CB 3.45Å; C58-C89 PolarHBondContact SG-O 3.22Å; C58-C89 VanDerWaalsContact SG-O 3.38Å; C58-C89 CovalentContact SG-SG 2.04Å; C58-C89 PolarHBondContact SG-SG 3.41Å; C58-K90 HydrophobicContact CB-CD 4.49Å
59A96Very high94.6Very high2 Ų252.6 Ų52.62%0.01727%0.266CS..Hα-helixtrans-58.7-32.5-17500000113.7L40 M45 L50 D56 Y57 L61 L62 L63L40-A59 HydrophobicContact CD1-CB 4.28Å; M45-A59 HydrophobicContact CG-CB 4.41Å; M45-A59 HydrophobicContact SD-CB 3.68Å; L50-A59 HydrophobicContact CD1-CB 4.06Å; D56-A59 WeakPolarHBondContact O-CB 3.41Å; D56-A59 PolarHBondContact O-N 3.47Å; Y57-A59 VanDerWaalsContact C-N 3.34Å; A59-L61 VanDerWaalsContact C-N 3.31Å; A59-L61 PolarHBondContact O-N 3.48Å; A59-L62 WeakPolarHBondContact O-CB 3.44Å; A59-L62 PolarHBondContact O-N 3.05Å; A59-L62 VanDerWaalsContact O-N 3.12Å; A59-L63 PolarHBondContact O-N 3.3Å
60H95.2Very high94.5Very high53 Ų5356.9 Ų56.925%0.24528%0.277CS..Hα-helixtrans-57.2-40.7177.162.8-78000113I39 L40 Y57 C58 A64I39-H60 HydrophobicContact CB-CB 4.23Å; I39-H60 HydrophobicContact CG2-CB 4.19Å; L40-H60 HydrophobicContact CD1-CB 4.12Å; L40-H60 HydrophobicContact CG-CB 3.96Å; Y57-H60 PolarHBondContact O-CE1 2.89Å; Y57-H60 VanDerWaalsContact O-CE1 3.27Å; Y57-H60 PolarHBondContact O-ND1 2.96Å; C58-H60 PolarHBondContact O-N 3.05Å; H60-A64 PolarHBondContact O-N 3.39Å; H60-A64 VanDerWaalsContact O-N 3.1Å
61L96.1Very high94.5Very high31 Ų3163.8 Ų63.816%0.16231%0.31CS..Hα-helixtrans-73.6-34.1176.7-66.6168.6000112.1C58 A59 A64 F65 K85 Y86 C89C58-L61 PolarHBondContact O-N 3Å; A59-L61 VanDerWaalsContact C-N 3.31Å; A59-L61 PolarHBondContact O-N 3.48Å; L61-A64 PolarHBondContact O-N 2.95Å; L61-F65 WeakPolarHBondContact O-CB 3.48Å; L61-F65 PolarHBondContact O-N 3.22Å; L61-K85 HydrophobicContact CD1-CB 4.43Å; L61-K85 WeakPolarHBondContact CD1-O 3.35Å; L61-K85 HydrophobicContact CD2-CB 4.14Å; L61-Y86 HydrophobicContact CB-CD2 4.07Å; L61-C89 HydrophobicContact CD1-CB 3.49Å; L61-C89 VanDerWaalsContact CD1-CB 3.49Å
62L95.5Very high94.3Very high14 Ų1461.8 Ų61.87%0.07330%0.302CS..Hα-helixtrans-65-42.6175.5-178.258.9000111L50 E54 C58 A59 F65 R66 Y86L50-L62 HydrophobicContact CD2-CD2 3.66Å; L50-L62 HydrophobicContact CD2-CG 4.16Å; E54-L62 HydrophobicContact CB-CD2 3.77Å; E54-L62 HydrophobicContact CG-CD2 4.16Å; C58-L62 PolarHBondContact O-N 3.24Å; A59-L62 WeakPolarHBondContact O-CB 3.44Å; A59-L62 PolarHBondContact O-N 3.05Å; A59-L62 VanDerWaalsContact O-N 3.12Å; L62-F65 PolarHBondContact O-N 3.05Å; L62-R66 PolarHBondContact O-N 2.65Å; L62-Y86 HydrophobicContact CB-CD2 4.01Å; L62-Y86 HydrophobicContact CB-CE2 3.7Å; L62-Y86 HydrophobicContact CD1-CE1 4.28Å; L62-Y86 HydrophobicContact CD1-CE2 4.32Å; L62-Y86 HydrophobicContact CG-CE2 4.4Å
63L95.3Very high93.9Very high30 Ų3064 Ų6416%0.15731%0.313CS..Hα-helixtrans-63.2-44176-173.959000111.3L40 A48 A59 F65 R66 K67L40-L63 HydrophobicContact CD1-CB 4.45Å; L40-L63 HydrophobicContact CD1-CD2 4.06Å; L40-L63 HydrophobicContact CD2-CD2 4.42Å; A48-L63 HydrophobicContact CB-CD1 3.64Å; A48-L63 HydrophobicContact CB-CD2 4.47Å; A59-L63 PolarHBondContact O-N 3.3Å; L63-F65 VanDerWaalsContact C-N 3.32Å; L63-F65 PolarHBondContact O-N 3.06Å; L63-R66 PolarHBondContact O-N 3.07Å; L63-K67 WeakPolarHBondContact O-CG 3.44Å; L63-K67 PolarHBondContact O-N 2.89Å
64A94.5Very high93.7Very high33 Ų3361.5 Ų61.527%0.27331%0.308SS..Hα-helixtrans-60.5-41.1174.600000112.1H60 L61 K67 C68 L82H60-A64 PolarHBondContact O-N 3.39Å; H60-A64 VanDerWaalsContact O-N 3.1Å; L61-A64 PolarHBondContact O-N 2.95Å; A64-K67 PolarHBondContact O-N 3.03Å; A64-C68 PolarHBondContact O-N 3.45Å; A64-L82 HydrophobicContact CB-CD2 4.3Å
65F94.9Very high93.2Very high60 Ų6062.5 Ų62.526%0.26332%0.317SS..Hα-helixtrans-64.7-41.2176.3177.6-107.4000112.4L61 L62 L63 C68 G69 C79 L82 K83L61-F65 WeakPolarHBondContact O-CB 3.48Å; L61-F65 PolarHBondContact O-N 3.22Å; L62-F65 PolarHBondContact O-N 3.05Å; L63-F65 VanDerWaalsContact C-N 3.32Å; L63-F65 PolarHBondContact O-N 3.06Å; F65-C68 PolarHBondContact O-N 3.3Å; F65-G69 PolarHBondContact O-N 3.15Å; F65-G69 VanDerWaalsContact O-N 3.08Å; F65-C79 HydrophobicContact CD2-CB 4.06Å; F65-C79 HydrophobicContact CE2-CB 3.86Å; F65-L82 HydrophobicContact CB-CB 4.4Å; F65-L82 HydrophobicContact CD2-CB 4.2Å; F65-K83 HydrophobicContact CD2-CB 3.96Å; F65-K83 HydrophobicContact CE2-CB 3.67Å; F65-K83 HydrophobicContact CE2-CD 4.4Å; F65-K83 HydrophobicContact CE2-CG 4.17Å; F65-K83 HydrophobicContact CZ-CB 4.36Å; F65-K83 HydrophobicContact CZ-CD 4.41Å; F65-K83 HydrophobicContact CZ-CG 4.38Å
66R93.5Very high92.7Very high80 Ų8062.5 Ų62.530%0.30234%0.335SS..Hα-helixtrans-62.4-47.6174.4-74.4-175.3178.2177.64.1111.7E54 L62 L63 C68 G69 D70E54-R66 IonicContact OE1-NH2 2.7Å; E54-R66 PolarHBondContact OE1-NH2 3.34Å; E54-R66 IonicContact OE2-CZ 3.15Å; E54-R66 IonicContact OE2-NH1 2.74Å; E54-R66 IonicContact OE2-NH2 2.71Å; E54-R66 PolarHBondContact OE2-NH2 3.19Å; L62-R66 PolarHBondContact O-N 2.65Å; L63-R66 PolarHBondContact O-N 3.07Å; R66-C68 VanDerWaalsContact C-N 3.33Å; R66-C68 PolarHBondContact O-N 2.89Å; R66-G69 WeakPolarHBondContact O-CA 3.46Å; R66-G69 PolarHBondContact O-N 3.05Å; R66-D70 PolarHBondContact O-N 3.41Å
67K94.2Very high92.3Very high120 Ų12066.2 Ų66.252%0.52235%0.354SS..Hα-helixtrans-55.1-46.5176.1-73.9178.2175.3-175.60112.3L63 A64 G69 D70 E71L63-K67 WeakPolarHBondContact O-CG 3.44Å; L63-K67 PolarHBondContact O-N 2.89Å; A64-K67 PolarHBondContact O-N 3.03Å; K67-G69 VanDerWaalsContact C-N 3.26Å; K67-G69 PolarHBondContact O-N 3.13Å; K67-D70 PolarHBondContact O-N 3.42Å; K67-D70 VanDerWaalsContact O-N 3.14Å; K67-E71 WeakPolarHBondContact O-CG 3.33Å; K67-E71 PolarHBondContact O-N 3.06Å; K67-E71 VanDerWaalsContact O-N 3.12Å
68C95.1Very high92.1Very high13 Ų1369.6 Ų69.69%0.08837%0.368CS..Hα-helixtrans-61.6-35.7175.4-176.50000112.6A64 F65 R66 D70 E71 H72 C79 L82A64-C68 PolarHBondContact O-N 3.45Å; F65-C68 PolarHBondContact O-N 3.3Å; R66-C68 VanDerWaalsContact C-N 3.33Å; R66-C68 PolarHBondContact O-N 2.89Å; C68-D70 VanDerWaalsContact C-N 3.32Å; C68-E71 PolarHBondContact O-N 3.41Å; C68-H72 PolarHBondContact O-CD2 3.22Å; C68-H72 PolarHBondContact O-N 2.94Å; C68-C79 HydrophobicContact CB-CB 3.9Å; C68-C79 WeakPolarHBondContact CB-SG 3.47Å; C68-C79 PolarHBondContact O-SG 2.69Å; C68-C79 WeakPolarHBondContact SG-CA 3.2Å; C68-C79 WeakPolarHBondContact SG-CB 3.36Å; C68-C79 CovalentContact SG-SG 2.03Å; C68-C79 PolarHBondContact SG-SG 2.94Å; C68-L82 HydrophobicContact CB-CD1 3.52Å
69G93.2Very high92.1Very high25 Ų2569.6 Ų69.626%0.25837%0.368SS..Hα-helixtrans-66.2-32.5175.200000113.8F65 R66 K67F65-G69 PolarHBondContact O-N 3.15Å; F65-G69 VanDerWaalsContact O-N 3.08Å; R66-G69 WeakPolarHBondContact O-CA 3.46Å; R66-G69 PolarHBondContact O-N 3.05Å; K67-G69 VanDerWaalsContact C-N 3.26Å; K67-G69 PolarHBondContact O-N 3.13Å
70D92.7Very high91.9Very high142 Ų14272.1 Ų72.176%0.75939%0.385SS*.Hα-helixtrans-77.7-28.9177.5-60.9-30.4000112R66 K67 C68R66-D70 PolarHBondContact O-N 3.41Å; K67-D70 PolarHBondContact O-N 3.42Å; K67-D70 VanDerWaalsContact O-N 3.14Å; C68-D70 VanDerWaalsContact C-N 3.32Å
71E93.8Very high91.9Very high148 Ų14875.1 Ų75.169%0.69240%0.403SS*.Hα-helixtrans-81.6-28.3-179-72.3173.6-172.100114K67 C68K67-E71 WeakPolarHBondContact O-CG 3.33Å; K67-E71 PolarHBondContact O-N 3.06Å; K67-E71 VanDerWaalsContact O-N 3.12Å; C68-E71 PolarHBondContact O-N 3.41Å
72H91.1Very high91.8Very high71 Ų7175.8 Ų75.833%0.32941%0.406SS..  trans-114.7132.6-173.3-67.9-69000113.3C68 I74 P75 Y78C68-H72 PolarHBondContact O-CD2 3.22Å; C68-H72 PolarHBondContact O-N 2.94Å; H72-I74 PolarHBondContact O-N 3.46Å; H72-P75 VanDerWaalsContact O-CD 3.32Å; H72-P75 WeakPolarHBondContact O-CD 3.46Å; H72-P75 WeakPolarHBondContact O-CG 3.29Å; H72-Y78 HydrophobicContact CB-CD2 4.05Å; H72-Y78 AromaticContact CG-CD2 3.97Å; H72-Y78 AromaticContact ND1-CD2 3.89Å; H72-Y78 AromaticContact ND1-CG 3.9Å
73V85.8Confident91.8Very high148 Ų14879.6 Ų79.690%0.89742%0.423SS*.SBendtrans-62.6-29.3176.8-177.40000112.7P75V73-P75 WeakPolarHBondContact O-CD 3.39Å
74I88.8Confident91.8Very high92 Ų9284.2 Ų84.247%0.47244%0.443SS..  trans-125.177.3178-48.5178000109.6H72 A76 L77 Y78H72-I74 PolarHBondContact O-N 3.46Å; I74-A76 PolarHBondContact O-N 2.7Å; I74-A76 VanDerWaalsContact O-N 3.08Å; I74-L77 HydrophobicContact CB-CD1 4.33Å; I74-L77 HydrophobicContact CD1-CD1 4.4Å; I74-L77 HydrophobicContact CG2-CB 4.41Å; I74-L77 HydrophobicContact CG2-CD1 3.81Å; I74-L77 HydrophobicContact CG2-CG 3.84Å; I74-L77 PolarHBondContact O-N 3.44Å; I74-Y78 WeakPolarHBondContact O-CD2 3.05Å
75P83.3Confident91.9Very high47 Ų4788.4 Ų88.431%0.30546%0.455SS..Hα-helixtrans-57.9-28.6-175.8-26.435.3000113.8H72 V73 L77 Y78 C79H72-P75 VanDerWaalsContact O-CD 3.32Å; H72-P75 WeakPolarHBondContact O-CD 3.46Å; H72-P75 WeakPolarHBondContact O-CG 3.29Å; V73-P75 WeakPolarHBondContact O-CD 3.39Å; P75-L77 PolarHBondContact O-N 3.47Å; P75-Y78 PolarHBondContact O-N 3.11Å; P75-C79 WeakPolarHBondContact O-CA 3.42Å; P75-C79 WeakPolarHBondContact O-CB 3.38Å; P75-C79 PolarHBondContact O-N 3.36Å
76A84Confident92Very high84 Ų8487.8 Ų87.869%0.69445%0.451SS*.Hα-helixtrans-61-30.6-178.500000113.4I74I74-A76 PolarHBondContact O-N 2.7Å; I74-A76 VanDerWaalsContact O-N 3.08Å
77L86.1Confident92.2Very high119 Ų11990.6 Ų90.662%0.62346%0.462SS*.Hα-helixtrans-84.7-44.1-179.5-66.1175.6000111.8I74 P75I74-L77 HydrophobicContact CB-CD1 4.33Å; I74-L77 HydrophobicContact CD1-CD1 4.4Å; I74-L77 HydrophobicContact CG2-CB 4.41Å; I74-L77 HydrophobicContact CG2-CD1 3.81Å; I74-L77 HydrophobicContact CG2-CG 3.84Å; I74-L77 PolarHBondContact O-N 3.44Å; P75-L77 PolarHBondContact O-N 3.47Å
78Y90.4Very high92.3Very high148 Ų14890.3 Ų90.358%0.5846%0.462SS*.Hα-helixtrans-91.8-30.2-170.7-60-76.4000113.8H72 I74 P75H72-Y78 HydrophobicContact CB-CD2 4.05Å; H72-Y78 AromaticContact CG-CD2 3.97Å; H72-Y78 AromaticContact ND1-CD2 3.89Å; H72-Y78 AromaticContact ND1-CG 3.9Å; I74-Y78 WeakPolarHBondContact O-CD2 3.05Å; P75-Y78 PolarHBondContact O-N 3.11Å
79C94.4Very high92.4Very high1 Ų190.7 Ų90.71%0.00747%0.465CS..SBendtrans-100.212.8-172.4-49.40000113.5F65 C68 P75 D81 L82 K83F65-C79 HydrophobicContact CD2-CB 4.06Å; F65-C79 HydrophobicContact CE2-CB 3.86Å; C68-C79 HydrophobicContact CB-CB 3.9Å; C68-C79 WeakPolarHBondContact CB-SG 3.47Å; C68-C79 PolarHBondContact O-SG 2.69Å; C68-C79 WeakPolarHBondContact SG-CA 3.2Å; C68-C79 WeakPolarHBondContact SG-CB 3.36Å; C68-C79 CovalentContact SG-SG 2.03Å; C68-C79 PolarHBondContact SG-SG 2.94Å; P75-C79 WeakPolarHBondContact O-CA 3.42Å; P75-C79 WeakPolarHBondContact O-CB 3.38Å; P75-C79 PolarHBondContact O-N 3.36Å; C79-D81 VanDerWaalsContact C-N 3.35Å; C79-D81 PolarHBondContact O-N 2.71Å; C79-L82 PolarHBondContact O-N 2.7Å; C79-K83 WeakPolarHBondContact O-CB 3.37Å; C79-K83 PolarHBondContact O-N 3.32Å
80S92.9Very high92.6Very high56 Ų5692.2 Ų92.239%0.39246%0.464SS..Hα-helixtrans-61.3-41.1-178.256.40000112.1K83 H84S80-K83 WeakPolarHBondContact O-CB 3.45Å; S80-K83 PolarHBondContact O-N 3.42Å; S80-H84 PolarHBondContact O-N 2.93Å
81D94.1Very high92.8Very high115 Ų11591.3 Ų91.362%0.61546%0.456SS*.Hα-helixtrans-63.4-44.3177.6-70.2-21.1000112.4C79 K83 H84 K85C79-D81 VanDerWaalsContact C-N 3.35Å; C79-D81 PolarHBondContact O-N 2.71Å; D81-K83 VanDerWaalsContact C-N 3.34Å; D81-H84 PolarHBondContact O-N 3.38Å; D81-K85 WeakPolarHBondContact O-CG 3.49Å; D81-K85 PolarHBondContact O-N 3.07Å
82L95.3Very high93Very high45 Ų4587 Ų8724%0.23644%0.442CS..Hα-helixtrans-64.9-40.6176.9-71174.1000111.4A64 F65 C68 C79 H84 K85 Y86A64-L82 HydrophobicContact CB-CD2 4.3Å; F65-L82 HydrophobicContact CB-CB 4.4Å; F65-L82 HydrophobicContact CD2-CB 4.2Å; C68-L82 HydrophobicContact CB-CD1 3.52Å; C79-L82 PolarHBondContact O-N 2.7Å; L82-H84 VanDerWaalsContact C-N 3.31Å; L82-H84 PolarHBondContact O-N 3.38Å; L82-K85 PolarHBondContact O-N 3.37Å; L82-Y86 WeakPolarHBondContact O-CB 3.43Å; L82-Y86 PolarHBondContact O-N 2.93Å
83K94.1Very high93.2Very high95 Ų9583.9 Ų83.941%0.41343%0.428SS..Hα-helixtrans-59.9-43.1173.8-170.5-179-177.6177.30111.4F65 C79 S80 D81 Y86 R87F65-K83 HydrophobicContact CD2-CB 3.96Å; F65-K83 HydrophobicContact CE2-CB 3.67Å; F65-K83 HydrophobicContact CE2-CD 4.4Å; F65-K83 HydrophobicContact CE2-CG 4.17Å; F65-K83 HydrophobicContact CZ-CB 4.36Å; F65-K83 HydrophobicContact CZ-CD 4.41Å; F65-K83 HydrophobicContact CZ-CG 4.38Å; C79-K83 WeakPolarHBondContact O-CB 3.37Å; C79-K83 PolarHBondContact O-N 3.32Å; S80-K83 WeakPolarHBondContact O-CB 3.45Å; S80-K83 PolarHBondContact O-N 3.42Å; D81-K83 VanDerWaalsContact C-N 3.34Å; K83-Y86 PolarHBondContact O-N 3.29Å; K83-R87 WeakPolarHBondContact O-CG 3.2Å; K83-R87 PolarHBondContact O-N 2.96Å
84H96.3Very high93.7Very high127 Ų12781.7 Ų81.759%0.58841%0.41SS*.Hα-helixtrans-65.2-45.4177.9-174.2-100.1000111.6S80 D81 L82 Y86 R87 H88S80-H84 PolarHBondContact O-N 2.93Å; D81-H84 PolarHBondContact O-N 3.38Å; L82-H84 VanDerWaalsContact C-N 3.31Å; L82-H84 PolarHBondContact O-N 3.38Å; H84-Y86 VanDerWaalsContact C-N 3.34Å; H84-Y86 PolarHBondContact O-N 2.9Å; H84-R87 PolarHBondContact O-N 2.87Å; H84-H88 WeakPolarHBondContact O-CB 3.48Å; H84-H88 PolarHBondContact O-N 3.03Å
85K97Very high94.2Very high120 Ų12081.3 Ų81.352%0.52241%0.409SS..Hα-helixtrans-57.6-45.6174.4-71.2177-175.5178.90111.9L61 D81 L82 R87 H88 C89L61-K85 HydrophobicContact CD1-CB 4.43Å; L61-K85 WeakPolarHBondContact CD1-O 3.35Å; L61-K85 HydrophobicContact CD2-CB 4.14Å; D81-K85 WeakPolarHBondContact O-CG 3.49Å; D81-K85 PolarHBondContact O-N 3.07Å; L82-K85 PolarHBondContact O-N 3.37Å; K85-R87 PolarHBondContact O-N 3.2Å; K85-H88 PolarHBondContact O-N 3.38Å; K85-C89 PolarHBondContact O-N 2.04Å
86Y96.4Very high94.7Very high47 Ų4781.7 Ų81.718%0.18441%0.406CS..Hα-helixtrans-60.3-44.8176.9173.3-112.2000112.3C58 L61 L62 L82 K83 H84 C89 K90C58-Y86 HydrophobicContact CB-CD2 4.45Å; C58-Y86 HydrophobicContact CB-CE2 4.3Å; L61-Y86 HydrophobicContact CB-CD2 4.07Å; L62-Y86 HydrophobicContact CB-CD2 4.01Å; L62-Y86 HydrophobicContact CB-CE2 3.7Å; L62-Y86 HydrophobicContact CD1-CE1 4.28Å; L62-Y86 HydrophobicContact CD1-CE2 4.32Å; L62-Y86 HydrophobicContact CG-CE2 4.4Å; L82-Y86 WeakPolarHBondContact O-CB 3.43Å; L82-Y86 PolarHBondContact O-N 2.93Å; K83-Y86 PolarHBondContact O-N 3.29Å; H84-Y86 VanDerWaalsContact C-N 3.34Å; H84-Y86 PolarHBondContact O-N 2.9Å; Y86-C89 WeakPolarHBondContact O-CB 3.39Å; Y86-C89 PolarHBondContact O-N 2.92Å; Y86-K90 HydrophobicContact CE1-CG 4.36Å; Y86-K90 HydrophobicContact CE2-CG 4.07Å; Y86-K90 PolarHBondContact O-N 3.25Å; Y86-K90 WeakPolarHBondContact OH-CE 3.02Å
87R96.6Very high95.2Very high139 Ų13984.2 Ų84.253%0.52540%0.398SS..Hα-helixtrans-61.2-47.8176-76177.7171.2-169.2-5.9112.1K83 H84 K85 C89 K90 E91K83-R87 WeakPolarHBondContact O-CG 3.2Å; K83-R87 PolarHBondContact O-N 2.96Å; H84-R87 PolarHBondContact O-N 2.87Å; K85-R87 PolarHBondContact O-N 3.2Å; R87-C89 VanDerWaalsContact C-N 3.26Å; R87-C89 PolarHBondContact O-N 3.36Å; R87-K90 WeakPolarHBondContact O-CB 3.47Å; R87-K90 PolarHBondContact O-N 3.43Å; R87-E91 WeakPolarHBondContact O-CG 3.09Å; R87-E91 PolarHBondContact O-N 2.92Å
88H97.7Very high95.7Very high115 Ų11583.8 Ų83.853%0.53239%0.394SS..Hα-helixtrans-58.5-40176.7-175.5-83.8000111.7H84 K85 E91 S92H84-H88 WeakPolarHBondContact O-CB 3.48Å; H84-H88 PolarHBondContact O-N 3.03Å; K85-H88 PolarHBondContact O-N 3.38Å; H88-E91 PolarHBondContact O-N 2.74Å; H88-S92 WeakPolarHBondContact O-CB 3.47Å; H88-S92 PolarHBondContact O-N 3.2Å
89C96.9Very high95.9Very high21 Ų2182.8 Ų82.814%0.14239%0.393CS..Hα-helixtrans-61.3-46.8173.8-172.50000111.8C58 L61 K85 Y86 R87 E91 S92 D93C58-C89 VanDerWaalsContact CA-SG 3.52Å; C58-C89 HydrophobicContact CB-CB 3.85Å; C58-C89 WeakPolarHBondContact CB-SG 3.5Å; C58-C89 WeakPolarHBondContact SG-CB 3.45Å; C58-C89 PolarHBondContact SG-O 3.22Å; C58-C89 VanDerWaalsContact SG-O 3.38Å; C58-C89 CovalentContact SG-SG 2.04Å; C58-C89 PolarHBondContact SG-SG 3.41Å; L61-C89 HydrophobicContact CD1-CB 3.49Å; L61-C89 VanDerWaalsContact CD1-CB 3.49Å; K85-C89 PolarHBondContact O-N 2.04Å; Y86-C89 WeakPolarHBondContact O-CB 3.39Å; Y86-C89 PolarHBondContact O-N 2.92Å; R87-C89 VanDerWaalsContact C-N 3.26Å; R87-C89 PolarHBondContact O-N 3.36Å; C89-E91 VanDerWaalsContact C-N 3.33Å; C89-E91 PolarHBondContact O-N 3.03Å; C89-S92 PolarHBondContact O-N 2.93Å; C89-S92 PolarHBondContact O-OG 3.34Å; C89-D93 PolarHBondContact O-N 3.18Å
90K96.7Very high95.9Very high57 Ų5785.2 Ų85.225%0.24840%0.404CS..Hα-helixtrans-61.9-38.9176.8-74.6-70-167.2167.10112.8D56 C58 Y86 R87 D93 L94D56-K90 IonicContact OD2-NZ 3.65Å; D56-K90 PolarHBondContact OD2-NZ 3.45Å; C58-K90 HydrophobicContact CB-CD 4.49Å; Y86-K90 HydrophobicContact CE1-CG 4.36Å; Y86-K90 HydrophobicContact CE2-CG 4.07Å; Y86-K90 PolarHBondContact O-N 3.25Å; Y86-K90 WeakPolarHBondContact OH-CE 3.02Å; R87-K90 WeakPolarHBondContact O-CB 3.47Å; R87-K90 PolarHBondContact O-N 3.43Å; K90-D93 PolarHBondContact O-N 3.27Å; K90-L94 WeakPolarHBondContact O-CB 3.41Å; K90-L94 PolarHBondContact O-N 2.92Å
91E97.5Very high96Very high123 Ų12386 Ų8658%0.57540%0.399SS*.Hα-helixtrans-63.7-43174.2-72.8168.7-169.100111.4R87 H88 C89 D93 L94 L95R87-E91 WeakPolarHBondContact O-CG 3.09Å; R87-E91 PolarHBondContact O-N 2.92Å; H88-E91 PolarHBondContact O-N 2.74Å; C89-E91 VanDerWaalsContact C-N 3.33Å; C89-E91 PolarHBondContact O-N 3.03Å; E91-D93 VanDerWaalsContact C-N 3.33Å; E91-D93 PolarHBondContact O-N 3.45Å; E91-L94 PolarHBondContact O-N 3.32Å; E91-L95 WeakPolarHBondContact O-CB 3.48Å; E91-L95 PolarHBondContact O-N 3.49Å
92S97Very high96Very high58 Ų5883.4 Ų83.441%0.40638%0.383SS..Hα-helixtrans-64.8-36.6176.476.30000112.5H88 C89 L95 H96H88-S92 WeakPolarHBondContact O-CB 3.47Å; H88-S92 PolarHBondContact O-N 3.2Å; C89-S92 PolarHBondContact O-N 2.93Å; C89-S92 PolarHBondContact O-OG 3.34Å; S92-L95 PolarHBondContact O-N 2.95Å; S92-H96 PolarHBondContact O-N 2.59Å
93D96.5Very high95.9Very high5 Ų583 Ų833%0.02738%0.379CS..Hα-helixtrans-67.5-42.3174.4-170.651.4000111.8R36 C89 K90 E91 L95 H96 R97R36-D93 IonicContact CZ-OD1 3.91Å; R36-D93 IonicContact NH1-OD1 3.94Å; R36-D93 PolarHBondContact NH1-OD1 2.88Å; R36-D93 IonicContact NH2-OD1 2.65Å; R36-D93 PolarHBondContact NH2-OD1 3.49Å; C89-D93 PolarHBondContact O-N 3.18Å; K90-D93 PolarHBondContact O-N 3.27Å; E91-D93 VanDerWaalsContact C-N 3.33Å; E91-D93 PolarHBondContact O-N 3.45Å; D93-L95 VanDerWaalsContact C-N 3.32Å; D93-L95 PolarHBondContact O-N 3.46Å; D93-H96 WeakPolarHBondContact O-CB 3.05Å; D93-H96 PolarHBondContact O-N 2.88Å; D93-R97 WeakPolarHBondContact O-CG 3.38Å; D93-R97 PolarHBondContact O-N 2.91Å; D93-R97 IonicContact OD2-CZ 3.07Å; D93-R97 IonicContact OD2-NE 3.87Å; D93-R97 PolarHBondContact OD2-NE 2.98Å; D93-R97 IonicContact OD2-NH2 2.71Å; D93-R97 PolarHBondContact OD2-NH2 3.23Å
94L96.6Very high95.9Very high102 Ų10279 Ų7953%0.53436%0.361SS..Hα-helixtrans-60.1-44.9173.7-178.267.5000111K90 E91 H96 R97 M98K90-L94 WeakPolarHBondContact O-CB 3.41Å; K90-L94 PolarHBondContact O-N 2.92Å; E91-L94 PolarHBondContact O-N 3.32Å; L94-H96 VanDerWaalsContact C-N 3.29Å; L94-H96 PolarHBondContact O-N 3.03Å; L94-R97 PolarHBondContact O-N 3.43Å; L94-R97 VanDerWaalsContact O-N 3.15Å; L94-M98 WeakPolarHBondContact O-CG 3.5Å; L94-M98 PolarHBondContact O-N 2.87Å
95L97.6Very high95.8Very high83 Ų8377 Ų7744%0.43535%0.349SS..Hα-helixtrans-62.6-36.4176.9-177144.6000112.1E91 S92 D93 M98 K99E91-L95 WeakPolarHBondContact O-CB 3.48Å; E91-L95 PolarHBondContact O-N 3.49Å; S92-L95 PolarHBondContact O-N 2.95Å; D93-L95 VanDerWaalsContact C-N 3.32Å; D93-L95 PolarHBondContact O-N 3.46Å; L95-M98 HydrophobicContact CB-CE 4.17Å; L95-M98 PolarHBondContact O-N 2.99Å; L95-K99 HydrophobicContact CD2-CD 3.91Å; L95-K99 WeakPolarHBondContact O-CG 3.39Å; L95-K99 PolarHBondContact O-N 3.47Å
96H95.4Very high95.6Very high55 Ų5579 Ų7926%0.25535%0.353SS..Hα-helixtrans-61.2-46.5171.7-17075000111.7R33 S92 D93 L94 M98 K99 E100R33-H96 PolarHBondContact NH2-CE1 3.45Å; R33-H96 PolarHBondContact NH2-NE2 3.44Å; S92-H96 PolarHBondContact O-N 2.59Å; D93-H96 WeakPolarHBondContact O-CB 3.05Å; D93-H96 PolarHBondContact O-N 2.88Å; L94-H96 VanDerWaalsContact C-N 3.29Å; L94-H96 PolarHBondContact O-N 3.03Å; H96-M98 VanDerWaalsContact C-N 3.33Å; H96-M98 PolarHBondContact O-N 3.38Å; H96-K99 WeakPolarHBondContact O-CB 3.47Å; H96-K99 PolarHBondContact O-N 3.12Å; H96-K99 VanDerWaalsContact O-N 3.13Å; H96-E100 IonicContact CE1-OE1 3.2Å; H96-E100 IonicContact NE2-OE1 3.66Å; H96-E100 PolarHBondContact O-N 3.08Å; H96-E100 VanDerWaalsContact O-N 3.07Å
97R94.6Very high95.5Very high137 Ų13778.9 Ų78.952%0.51736%0.355SS..Hα-helixtrans-62.5-38.6176.9-63.6175.1-162.2-160.82.7112.4D93 L94 K99 E100 Y101D93-R97 WeakPolarHBondContact O-CG 3.38Å; D93-R97 PolarHBondContact O-N 2.91Å; D93-R97 IonicContact OD2-CZ 3.07Å; D93-R97 IonicContact OD2-NE 3.87Å; D93-R97 PolarHBondContact OD2-NE 2.98Å; D93-R97 IonicContact OD2-NH2 2.71Å; D93-R97 PolarHBondContact OD2-NH2 3.23Å; L94-R97 PolarHBondContact O-N 3.43Å; L94-R97 VanDerWaalsContact O-N 3.15Å; R97-K99 VanDerWaalsContact C-N 3.31Å; R97-K99 PolarHBondContact O-N 3.17Å; R97-E100 PolarHBondContact O-N 3.49Å; R97-Y101 PolarHBondContact O-N 2.87Å
98M95.4Very high95.3Very high110 Ų11073.4 Ų73.454%0.54234%0.336SS..Hα-helixtrans-63.6-36.6174.3-69.3-168.9-66.600112.3L94 L95 H96 Y101 E102L94-M98 WeakPolarHBondContact O-CG 3.5Å; L94-M98 PolarHBondContact O-N 2.87Å; L95-M98 HydrophobicContact CB-CE 4.17Å; L95-M98 PolarHBondContact O-N 2.99Å; H96-M98 VanDerWaalsContact C-N 3.33Å; H96-M98 PolarHBondContact O-N 3.38Å; M98-Y101 PolarHBondContact O-N 3.31Å; M98-E102 WeakPolarHBondContact O-CB 3.39Å; M98-E102 PolarHBondContact O-N 3.36Å
99K95.5Very high95Very high127 Ų12771.3 Ų71.355%0.55233%0.326SS*.Hα-helixtrans-66-42.1174.8-73.5172.2173.51750112.2L95 H96 R97 Y101 E102 R103L95-K99 HydrophobicContact CD2-CD 3.91Å; L95-K99 WeakPolarHBondContact O-CG 3.39Å; L95-K99 PolarHBondContact O-N 3.47Å; H96-K99 WeakPolarHBondContact O-CB 3.47Å; H96-K99 PolarHBondContact O-N 3.12Å; H96-K99 VanDerWaalsContact O-N 3.13Å; R97-K99 VanDerWaalsContact C-N 3.31Å; R97-K99 PolarHBondContact O-N 3.17Å; K99-Y101 VanDerWaalsContact C-N 3.35Å; K99-E102 PolarHBondContact O-N 3.25Å; K99-R103 WeakPolarHBondContact O-CB 3.5Å; K99-R103 PolarHBondContact O-N 3.42Å
100E94.2Very high94.7Very high53 Ų5376.6 Ų76.625%0.24835%0.347CS..Hα-helixtrans-62.2-43.9174.5-63.8-52.2128.800111.4R33 H96 R97 E102 R103 E104R33-E100 IonicContact CZ-OE1 3.51Å; R33-E100 VanDerWaalsContact CZ-OE1 3.23Å; R33-E100 IonicContact CZ-OE2 3.23Å; R33-E100 VanDerWaalsContact NH1-CD 3.29Å; R33-E100 IonicContact NH1-OE1 2.89Å; R33-E100 PolarHBondContact NH1-OE1 3.35Å; R33-E100 IonicContact NH1-OE2 3.74Å; R33-E100 PolarHBondContact NH1-OE2 2.98Å; R33-E100 VanDerWaalsContact NH2-CD 3.28Å; R33-E100 IonicContact NH2-OE1 2.59Å; R33-E100 PolarHBondContact NH2-OE1 3.38Å; R33-E100 IonicContact NH2-OE2 3.03Å; H96-E100 IonicContact CE1-OE1 3.2Å; H96-E100 IonicContact NE2-OE1 3.66Å; H96-E100 PolarHBondContact O-N 3.08Å; H96-E100 VanDerWaalsContact O-N 3.07Å; R97-E100 PolarHBondContact O-N 3.49Å; E100-E102 PolarHBondContact O-N 3.17Å; E100-R103 WeakPolarHBondContact O-CB 3.28Å; E100-R103 PolarHBondContact O-N 3.18Å; E100-E104 WeakPolarHBondContact O-CG 3.47Å; E100-E104 PolarHBondContact O-N 3.43Å
101Y94.3Very high94.5Very high73 Ų7381.4 Ų81.429%0.28636%0.364SS..Hα-helixtrans-58-49.3176.7179.5-92.2000112.4H3 M14 P15 R97 M98 K99 R103 E104 R105H3-Y101 AromaticContact CD2-CE2 3.46Å; H3-Y101 VanDerWaalsContact CD2-CE2 3.46Å; H3-Y101 WeakPolarHBondContact CD2-CE2 3.45Å; H3-Y101 AromaticContact CD2-CZ 3.53Å; H3-Y101 PolarHBondContact CD2-OH 3.13Å; H3-Y101 PolarHBondContact CE1-OH 3.42Å; H3-Y101 AromaticContact NE2-CE2 3.33Å; H3-Y101 VanDerWaalsContact NE2-CE2 3.33Å; H3-Y101 WeakPolarHBondContact NE2-CE2 3.17Å; H3-Y101 AromaticContact NE2-CZ 3.61Å; H3-Y101 PolarHBondContact NE2-OH 3.1Å; M14-Y101 WeakPolarHBondContact CE-OH 3.33Å; P15-Y101 HydrophobicContact CB-CE2 4.49Å; P15-Y101 HydrophobicContact CG-CD2 3.78Å; P15-Y101 HydrophobicContact CG-CE1 4.34Å; P15-Y101 HydrophobicContact CG-CE2 3.41Å; P15-Y101 VanDerWaalsContact CG-CE2 3.41Å; P15-Y101 HydrophobicContact CG-CG 4.4Å; R97-Y101 PolarHBondContact O-N 2.87Å; M98-Y101 PolarHBondContact O-N 3.31Å; K99-Y101 VanDerWaalsContact C-N 3.35Å; Y101-R103 VanDerWaalsContact C-N 3.32Å; Y101-R103 PolarHBondContact O-N 2.03Å; Y101-E104 PolarHBondContact O-N 3.04Å; Y101-R105 WeakPolarHBondContact O-CB 3.03Å; Y101-R105 PolarHBondContact O-N 3.46Å
102E94.1Very high94Very high60 Ų6076.8 Ų76.828%0.2834%0.344SS..Hα-helixtrans-68.3-31.8179.2-178.466.3-173.900112M98 K99 E100 R105 R106M98-E102 WeakPolarHBondContact O-CB 3.39Å; M98-E102 PolarHBondContact O-N 3.36Å; K99-E102 PolarHBondContact O-N 3.25Å; E100-E102 PolarHBondContact O-N 3.17Å; E102-R105 IonicContact OE2-NH1 3.34Å; E102-R106 VanDerWaalsContact O-CG 3.28Å; E102-R106 WeakPolarHBondContact O-CG 3.21Å; E102-R106 PolarHBondContact O-N 2.93Å; E102-R106 IonicContact OE1-CZ 3.38Å; E102-R106 IonicContact OE1-NE 2.94Å; E102-R106 PolarHBondContact OE1-NE 3.29Å; E102-R106 IonicContact OE1-NH2 2.93Å; E102-R106 PolarHBondContact OE1-NH2 2.96Å
103R93.9Very high93.6Very high37 Ų3777.3 Ų77.314%0.1435%0.347CS..Hα-helixtrans-60.8-54171.7175.4-175.2175.3-894.7110.7D24 D27 K99 E100 Y101 R105 R106 L107D24-R103 PolarHBondContact O-NH2 3.24Å; D27-R103 PolarHBondContact O-NH2 2.94Å; K99-R103 WeakPolarHBondContact O-CB 3.5Å; K99-R103 PolarHBondContact O-N 3.42Å; E100-R103 WeakPolarHBondContact O-CB 3.28Å; E100-R103 PolarHBondContact O-N 3.18Å; Y101-R103 VanDerWaalsContact C-N 3.32Å; Y101-R103 PolarHBondContact O-N 2.03Å; R103-R105 VanDerWaalsContact C-N 3.3Å; R103-R105 PolarHBondContact O-N 3.29Å; R103-R106 PolarHBondContact O-N 3.4Å; R103-L107 HydrophobicContact CG-CD1 3.98Å; R103-L107 HydrophobicContact CG-CG 4.49Å; R103-L107 WeakPolarHBondContact O-CG 3.31Å; R103-L107 PolarHBondContact O-N 2.91Å
104E94.1Very high93.2Very high11 Ų1182.8 Ų82.85%0.05138%0.375CS..Hα-helixtrans-57-46.4179.4-71.4-64.1117.900111P15 P21 V22 F23 E100 Y101 R106 L107 L108P15-E104 HydrophobicContact CB-CB 3.88Å; P15-E104 HydrophobicContact CG-CB 4.35Å; P21-E104 WeakPolarHBondContact CA-OE2 3.06Å; P21-E104 HydrophobicContact CB-CG 4.17Å; V22-E104 PolarHBondContact N-OE2 3.36Å; F23-E104 WeakPolarHBondContact CD2-OE2 3.49Å; E100-E104 WeakPolarHBondContact O-CG 3.47Å; E100-E104 PolarHBondContact O-N 3.43Å; Y101-E104 PolarHBondContact O-N 3.04Å; E104-R106 VanDerWaalsContact C-N 3.34Å; E104-R106 PolarHBondContact O-N 3.45Å; E104-L107 PolarHBondContact O-N 3.25Å; E104-L108 WeakPolarHBondContact O-CG 3.39Å; E104-L108 PolarHBondContact O-N 3.08Å
105R92.6Very high92.4Very high85 Ų8582.5 Ų82.532%0.32138%0.382SS..Hα-helixtrans-56-45.3176.5-171.1-173.8171.3-151.2-2.2112.8M14 P15 Y101 E102 R103 L108 H109M14-R105 HydrophobicContact SD-CG 4.23Å; P15-R105 HydrophobicContact CG-CB 4.16Å; Y101-R105 WeakPolarHBondContact O-CB 3.03Å; Y101-R105 PolarHBondContact O-N 3.46Å; E102-R105 IonicContact OE2-NH1 3.34Å; R103-R105 VanDerWaalsContact C-N 3.3Å; R103-R105 PolarHBondContact O-N 3.29Å; R105-L108 PolarHBondContact O-N 3.45Å; R105-H109 PolarHBondContact O-CD2 3.07Å; R105-H109 VanDerWaalsContact O-CD2 3.22Å; R105-H109 PolarHBondContact O-N 3.29Å
106R93.5Very high90.9Very high161 Ų16188.5 Ų88.561%0.60841%0.408SS*.Hα-helixtrans-68.2-36.9178.8-72.2173.8-170.8-173.23.8112.6E102 R103 E104 K110E102-R106 VanDerWaalsContact O-CG 3.28Å; E102-R106 WeakPolarHBondContact O-CG 3.21Å; E102-R106 PolarHBondContact O-N 2.93Å; E102-R106 IonicContact OE1-CZ 3.38Å; E102-R106 IonicContact OE1-NE 2.94Å; E102-R106 PolarHBondContact OE1-NE 3.29Å; E102-R106 IonicContact OE1-NH2 2.93Å; E102-R106 PolarHBondContact OE1-NH2 2.96Å; R103-R106 PolarHBondContact O-N 3.4Å; E104-R106 VanDerWaalsContact C-N 3.34Å; E104-R106 PolarHBondContact O-N 3.45Å; R106-K110 WeakPolarHBondContact O-CB 3.49Å; R106-K110 PolarHBondContact O-N 2.82Å
107L93.7Very high90.7Very high45 Ų4590.2 Ų90.224%0.23642%0.415CS..Hα-helixtrans-68.5-38.5176.4-68.9174.7000111.5F23 R103 E104 K110 R111F23-L107 HydrophobicContact CB-CD1 3.76Å; F23-L107 HydrophobicContact CD1-CB 4.22Å; F23-L107 HydrophobicContact CD1-CD1 4.26Å; F23-L107 HydrophobicContact CD2-CB 3.48Å; F23-L107 VanDerWaalsContact CD2-CB 3.48Å; F23-L107 HydrophobicContact CD2-CD1 3.7Å; F23-L107 HydrophobicContact CD2-CG 4.24Å; F23-L107 HydrophobicContact CE1-CB 4.02Å; F23-L107 HydrophobicContact CE2-CB 3.26Å; F23-L107 HydrophobicContact CE2-CD1 4.38Å; F23-L107 HydrophobicContact CE2-CG 4.45Å; F23-L107 HydrophobicContact CG-CB 3.97Å; F23-L107 HydrophobicContact CG-CD1 3.64Å; F23-L107 HydrophobicContact CG-CG 4.41Å; F23-L107 HydrophobicContact CZ-CB 3.56Å; R103-L107 HydrophobicContact CG-CD1 3.98Å; R103-L107 HydrophobicContact CG-CG 4.49Å; R103-L107 WeakPolarHBondContact O-CG 3.31Å; R103-L107 PolarHBondContact O-N 2.91Å; E104-L107 PolarHBondContact O-N 3.25Å; L107-K110 PolarHBondContact O-N 2.93Å; L107-R111 WeakPolarHBondContact O-CB 3.38Å; L107-R111 PolarHBondContact O-N 3.35Å
108L92.6Very high90.5Very high23 Ų2387.7 Ų87.712%0.1241%0.41CS..Hα-helixtrans-61.9-51171.5-71.8175.7000111.4P15 F23 E104 R105 K110 R111 T112P15-L108 HydrophobicContact CB-CD1 4.11Å; F23-L108 HydrophobicContact CE2-CD2 3.84Å; F23-L108 HydrophobicContact CE2-CG 3.93Å; F23-L108 HydrophobicContact CZ-CD2 4.04Å; F23-L108 HydrophobicContact CZ-CG 4.45Å; E104-L108 WeakPolarHBondContact O-CG 3.39Å; E104-L108 PolarHBondContact O-N 3.08Å; R105-L108 PolarHBondContact O-N 3.45Å; L108-K110 PolarHBondContact O-N 3.31Å; L108-R111 WeakPolarHBondContact O-CA 3.43Å; L108-R111 WeakPolarHBondContact O-CB 3.45Å; L108-R111 PolarHBondContact O-N 2.92Å; L108-T112 WeakPolarHBondContact O-CG2 3.47Å; L108-T112 PolarHBondContact O-N 2.96Å; L108-T112 PolarHBondContact O-OG1 2.86Å
109H91.6Very high90.3Very high72 Ų7286.5 Ų86.533%0.33340%0.403SS..Hα-helixtrans-55.5-39.6174.9-84.1-64.4000112.8S13 R105 T112 S113S13-H109 WeakPolarHBondContact CB-CE1 3.37Å; S13-H109 VanDerWaalsContact CB-ND1 3.35Å; S13-H109 WeakPolarHBondContact CB-ND1 3.39Å; S13-H109 PolarHBondContact OG-CE1 3.05Å; S13-H109 VanDerWaalsContact OG-CE1 3.26Å; R105-H109 PolarHBondContact O-CD2 3.07Å; R105-H109 VanDerWaalsContact O-CD2 3.22Å; R105-H109 PolarHBondContact O-N 3.29Å; H109-T112 WeakPolarHBondContact CA-OG1 3.3Å; H109-T112 PolarHBondContact O-OG1 3.29Å; H109-S113 WeakPolarHBondContact O-CB 3.41Å; H109-S113 PolarHBondContact O-N 2.71Å; H109-S113 PolarHBondContact O-OG 3Å
110K91.6Very high89.9Confident132 Ų13284.1 Ų84.157%0.57439%0.394SS*.Hα-helixtrans-65.2-42.6175.6-175.6179177.8-175.40111.1R106 L107 L108 S113 I114R106-K110 WeakPolarHBondContact O-CB 3.49Å; R106-K110 PolarHBondContact O-N 2.82Å; L107-K110 PolarHBondContact O-N 2.93Å; L108-K110 PolarHBondContact O-N 3.31Å; K110-S113 WeakPolarHBondContact CA-OG 3.33Å; K110-S113 PolarHBondContact O-N 3.12Å; K110-S113 PolarHBondContact O-OG 3.15Å; K110-I114 HydrophobicContact CG-CD1 3.96Å; K110-I114 WeakPolarHBondContact O-CD1 3.33Å; K110-I114 VanDerWaalsContact O-CG1 3.28Å; K110-I114 WeakPolarHBondContact O-CG1 3.15Å; K110-I114 PolarHBondContact O-N 3.14Å
111R91.2Very high89.7Confident158 Ų15886.1 Ų86.160%0.59640%0.403SS*.Hα-helixtrans-62.5-46.5177.6-175.8-179.9179169.40.1111.6L107 L108 S113 I114 S115L107-R111 WeakPolarHBondContact O-CB 3.38Å; L107-R111 PolarHBondContact O-N 3.35Å; L108-R111 WeakPolarHBondContact O-CA 3.43Å; L108-R111 WeakPolarHBondContact O-CB 3.45Å; L108-R111 PolarHBondContact O-N 2.92Å; R111-S113 VanDerWaalsContact C-N 3.32Å; R111-S113 PolarHBondContact O-N 3.32Å; R111-I114 PolarHBondContact O-N 3.45Å; R111-S115 PolarHBondContact O-N 3.01Å; R111-S115 PolarHBondContact O-OG 3.43Å
112T88.8Confident89.4Confident26 Ų2686.9 Ų86.916%0.1641%0.411CS..Hα-helixtrans-61.8-41.5178.259.20000111E12 L108 H109 I114 S115 E116E12-T112 HydrophobicContact CB-CG2 4.11Å; L108-T112 WeakPolarHBondContact O-CG2 3.47Å; L108-T112 PolarHBondContact O-N 2.96Å; L108-T112 PolarHBondContact O-OG1 2.86Å; H109-T112 WeakPolarHBondContact CA-OG1 3.3Å; H109-T112 PolarHBondContact O-OG1 3.29Å; T112-I114 PolarHBondContact O-N 3.22Å; T112-S115 WeakPolarHBondContact CA-OG 3.32Å; T112-S115 PolarHBondContact O-N 3.35Å; T112-S115 PolarHBondContact O-OG 2.94Å; T112-E116 PolarHBondContact O-N 3.29Å
113S87.9Confident89Confident68 Ų6888.9 Ų88.948%0.47642%0.42SS..Hα-helixtrans-67.3-18.7177.870.40000115.2H109 K110 R111H109-S113 WeakPolarHBondContact O-CB 3.41Å; H109-S113 PolarHBondContact O-N 2.71Å; H109-S113 PolarHBondContact O-OG 3Å; K110-S113 WeakPolarHBondContact CA-OG 3.33Å; K110-S113 PolarHBondContact O-N 3.12Å; K110-S113 PolarHBondContact O-OG 3.15Å; R111-S113 VanDerWaalsContact C-N 3.32Å; R111-S113 PolarHBondContact O-N 3.32Å
114I88.6Confident88.7Confident120 Ų12092.8 Ų92.862%0.61544%0.442SS*.Hα-helixtrans-90.8-25.6177.1-68.7165.8000110.8K110 R111 T112K110-I114 HydrophobicContact CG-CD1 3.96Å; K110-I114 WeakPolarHBondContact O-CD1 3.33Å; K110-I114 VanDerWaalsContact O-CG1 3.28Å; K110-I114 WeakPolarHBondContact O-CG1 3.15Å; K110-I114 PolarHBondContact O-N 3.14Å; R111-I114 PolarHBondContact O-N 3.45Å; T112-I114 PolarHBondContact O-N 3.22Å
115S79.8Confident88.2Confident97 Ų9799.7 Ų99.768%0.67847%0.474SS*.Hα-helixtrans-82.5-18.9177.351.50000114.1R111 T112R111-S115 PolarHBondContact O-N 3.01Å; R111-S115 PolarHBondContact O-OG 3.43Å; T112-S115 WeakPolarHBondContact CA-OG 3.32Å; T112-S115 PolarHBondContact O-N 3.35Å; T112-S115 PolarHBondContact O-OG 2.94Å
116E66.5Low87.8Confident209 Ų209101 Ų10198%0.97749%0.488SS*.  trans-80.10169.8-69.9176.2-178.300111.6T112T112-E116 PolarHBondContact O-N 3.29Å

Retrieved 116 of 116 residues in 64.4 ms (Link to these results)

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