A0A077Z4I7_TRITR Loading...

Large ribosomal subunit protein eL34

AlphaFold DB , UniProt , Accession A0A077Z4I7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 118 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
1M71.4Confident89.9Confident206 Ų206134 Ų134100%1.01562%0.616SS**  0129.30-169.7179.5-167.400109.6
2A83.8Confident90.3Very high87 Ų87129.3 Ų129.372%0.71961%0.609SS**  trans-68140.2174.900000110.7R4A2-R4 PolarHBondContact O-N 2.76Å; A2-R4 VanDerWaalsContact O-N 3.1Å
3K86.1Confident90.8Very high127 Ų127132.2 Ų132.255%0.55261%0.613SS**  trans-64.7111.1177.5-71.5-177.8179.9177.70109.7N28 L30K3-N28 PolarHBondContact NZ-O 2.93Å; K3-L30 HydrophobicContact CB-CD1 3.94Å; K3-L30 HydrophobicContact CD-CD1 4.48Å; K3-L30 HydrophobicContact CD-CG 4.35Å
4R89.7Confident91.1Very high219 Ų219132.1 Ų132.183%0.82662%0.619SS**  trans-78.5154.7172.9-65.5-178.5-179.9178.3-0110.5A2A2-R4 PolarHBondContact O-N 2.76Å; A2-R4 VanDerWaalsContact O-N 3.1Å
5L91.8Very high91.4Very high43 Ų43126.5 Ų126.523%0.22560%0.597CS.*  trans-124.4145.5-176.4-63.9178000111.4V22 L30 Y32L5-V22 HydrophobicContact CD1-CB 4.31Å; L5-V22 HydrophobicContact CD1-CG1 3.82Å; L5-V22 HydrophobicContact CD1-CG2 3.68Å; L5-L30 HydrophobicContact CD1-CB 4.45Å; L5-L30 VanDerWaalsContact CD2-C 3.47Å; L5-L30 HydrophobicContact CD2-CB 3.73Å; L5-L30 WeakPolarHBondContact CD2-O 3.4Å; L5-L30 HydrophobicContact CG-CB 4.49Å; L5-Y32 HydrophobicContact CB-CD2 3.89Å; L5-Y32 HydrophobicContact CB-CE1 4.34Å; L5-Y32 HydrophobicContact CB-CE2 3.33Å; L5-Y32 HydrophobicContact CD1-CD1 3.92Å; L5-Y32 HydrophobicContact CD1-CD2 4.35Å; L5-Y32 HydrophobicContact CD1-CE1 3.68Å; L5-Y32 HydrophobicContact CD1-CE2 4.14Å; L5-Y32 HydrophobicContact CD1-CG 4.26Å; L5-Y32 HydrophobicContact CG-CE2 4.38Å
6V93.7Very high91.6Very high126 Ų126125.3 Ų125.376%0.76460%0.604SS**  trans-105.1143.5173.4-176.60000109.5Y32V6-Y32 WeakPolarHBondContact O-CD2 3.44Å
7L94.9Very high91.7Very high47 Ų47121.3 Ų121.325%0.24659%0.592CS.*  trans-62.7135.1173.1-66.7177.3000110.3S12 R20 Y32L7-S12 WeakPolarHBondContact CD1-O 3.4Å; L7-R20 HydrophobicContact CD2-CG 4.48Å; L7-R20 VanDerWaalsContact CD2-NH1 3.32Å; L7-Y32 HydrophobicContact CD2-CD2 4.19Å; L7-Y32 HydrophobicContact CD2-CE2 4.16Å
8R93.6Very high91.9Very high170 Ų170114.7 Ų114.764%0.64256%0.56SS**SBendtrans-95.2-2179.4-53.3167.660.7-170.33.7113.2Y32 Y34R8-Y32 WeakPolarHBondContact CD-O 3.42Å; R8-Y32 PolarHBondContact NH1-O 3.13Å; R8-Y34 HydrophobicContact CB-CE2 4.07Å; R8-Y34 PolarHBondContact N-OH 3.27Å
9R94.2Very high92.1Very high127 Ų127117.6 Ų117.648%0.47956%0.564SS.*SBendtrans-115.2153.6179.6-72.2-175.4174.21730.8109.2L11 Y34R9-L11 PolarHBondContact O-N 3.38Å; R9-L11 VanDerWaalsContact O-N 3.11Å; R9-Y34 HydrophobicContact CG-CD2 4.31Å; R9-Y34 HydrophobicContact CG-CE1 4.16Å; R9-Y34 HydrophobicContact CG-CE2 3.93Å; R9-Y34 VanDerWaalsContact CZ-CB 3.45Å; R9-Y34 PolarHBondContact N-OH 3.22Å; R9-Y34 VanDerWaalsContact NH2-CB 3.35Å
10R95.4Very high92.2Very high260 Ų260115.5 Ų115.598%0.98155%0.55SS*.SBendtrans-54.4-28.5174.972.4179-174.1-174.12.6114.7S12R10-S12 PolarHBondContact O-N 3.09Å
11L94.1Very high92.4Very high62 Ų62118.1 Ų118.133%0.32556%0.555SS.*  trans-78.5112.1-177.4-168.176.8000110.9R9 Y13 T15 N18R9-L11 PolarHBondContact O-N 3.38Å; R9-L11 VanDerWaalsContact O-N 3.11Å; L11-Y13 HydrophobicContact CD1-CD2 4.11Å; L11-T15 HydrophobicContact CD2-CG2 4.28Å; L11-T15 WeakPolarHBondContact CD2-OG1 3.47Å; L11-N18 HydrophobicContact CD2-CB 3.59Å; L11-N18 PolarHBondContact O-ND2 3.47Å
12S94.9Very high93.5Very high77 Ų77112 Ų11254%0.53853%0.528SS..  trans-79.6-28.717850.50000113.7L7 R10L7-S12 WeakPolarHBondContact CD1-O 3.4Å; R10-S12 PolarHBondContact O-N 3.09Å
13Y96.3Very high94Very high167 Ų167109.6 Ų109.666%0.65551%0.506SS*.SBendtrans-76.4149.9-173-54.8-77.8000114.6L11 T15 N18L11-Y13 HydrophobicContact CD1-CD2 4.11Å; Y13-T15 VanDerWaalsContact C-N 3.31Å; Y13-T15 PolarHBondContact O-N 3.07Å; Y13-N18 PolarHBondContact O-ND2 3.47Å
14N95Very high94.4Very high132 Ų132110.1 Ų110.171%0.70651%0.509SS*.  trans-82.867.9176.9-168.528.7000112.3R20N14-R20 PolarHBondContact OD1-NH2 3.22Å
15T96Very high94.6Very high47 Ų47101.8 Ų101.829%0.28848%0.482SS..  trans-91.3157.4176.670.50000111.6L11 Y13 S17 N18 R19L11-T15 HydrophobicContact CD2-CG2 4.28Å; L11-T15 WeakPolarHBondContact CD2-OG1 3.47Å; Y13-T15 VanDerWaalsContact C-N 3.31Å; Y13-T15 PolarHBondContact O-N 3.07Å; T15-S17 PolarHBondContact O-N 3.34Å; T15-S17 PolarHBondContact OG1-OG 3.38Å; T15-N18 CarbonylContact O-C 3.43Å; T15-N18 WeakPolarHBondContact O-CA 3.32Å; T15-N18 PolarHBondContact O-N 3.25Å; T15-N18 PolarHBondContact OG1-N 3.01Å; T15-R19 PolarHBondContact O-N 2.96Å
16P94.2Very high94.8Very high107 Ų107106.6 Ų106.670%0.69552%0.516SS*.G310 helixtrans-57.5-21.2174.7-26.534.6000114.3
17S93.6Very high94.8Very high58 Ų58103.4 Ų103.441%0.40651%0.509SS..G310 helixtrans-78.1-23.6174.875.80000113.5T15 K37T15-S17 PolarHBondContact O-N 3.34Å; T15-S17 PolarHBondContact OG1-OG 3.38Å; S17-K37 VanDerWaalsContact CA-CE 3.49Å
18N95.7Very high94.6Very high2 Ų2105.4 Ų105.41%0.01152%0.519CS..G310 helixtrans-109.329.6-177.3-160.435.6000111.7L11 Y13 T15 R20 Y34L11-N18 HydrophobicContact CD2-CB 3.59Å; L11-N18 PolarHBondContact O-ND2 3.47Å; Y13-N18 PolarHBondContact O-ND2 3.47Å; T15-N18 CarbonylContact O-C 3.43Å; T15-N18 WeakPolarHBondContact O-CA 3.32Å; T15-N18 PolarHBondContact O-N 3.25Å; T15-N18 PolarHBondContact OG1-N 3.01Å; N18-R20 WeakPolarHBondContact O-CG 3.42Å; N18-R20 PolarHBondContact O-NE 3.03Å; N18-Y34 WeakPolarHBondContact OD1-CE1 3.32Å
19R94.9Very high94.5Very high170 Ų170106.3 Ų106.364%0.64252%0.523SS*.  trans-58.4141.5168.4-174.2176.9179.8-177.31.6109.2T15 P35T15-R19 PolarHBondContact O-N 2.96Å; R19-P35 HydrophobicContact CG-CG 4.29Å; R19-P35 WeakPolarHBondContact O-CD 3.47Å
20R95.1Very high94.5Very high75 Ų75103.2 Ų103.228%0.28352%0.516SS..  trans-126.2148.2-173.3-69.8158.5-73.2162.3-3.5109.9L7 N14 N18 Y32 L33 Y34L7-R20 HydrophobicContact CD2-CG 4.48Å; L7-R20 VanDerWaalsContact CD2-NH1 3.32Å; N14-R20 PolarHBondContact OD1-NH2 3.22Å; N18-R20 WeakPolarHBondContact O-CG 3.42Å; N18-R20 PolarHBondContact O-NE 3.03Å; R20-Y32 HydrophobicContact CB-CD1 3.7Å; R20-Y32 HydrophobicContact CB-CE1 4.07Å; R20-Y32 HydrophobicContact CB-CG 4.3Å; R20-Y32 HydrophobicContact CG-CD1 4.17Å; R20-Y32 HydrophobicContact CG-CG 4.3Å; R20-L33 WeakPolarHBondContact CA-O 3.24Å; R20-Y34 HydrophobicContact CG-CD1 3.98Å; R20-Y34 HydrophobicContact CG-CE1 3.63Å
21R95Very high94.5Very high172 Ų17292.4 Ų92.465%0.64948%0.478SS*.EExtended strand (participates in β ladder)trans-124.4129.7167177.6-178.2175.1-166.80.5107.7L33R21-L33 PolarHBondContact N-O 2.69Å; R21-L33 PolarHBondContact O-N 3.06Å
22V95.4Very high94.6Very high76 Ų7691.5 Ų91.546%0.46147%0.471SS..EExtended strand (participates in β ladder)trans-76.7131.6171.2-178.90000108.5L5 L30 Y32L5-V22 HydrophobicContact CD1-CB 4.31Å; L5-V22 HydrophobicContact CD1-CG1 3.82Å; L5-V22 HydrophobicContact CD1-CG2 3.68Å; V22-L30 HydrophobicContact CG1-CB 4.27Å; V22-L30 HydrophobicContact CG1-CD1 4.39Å; V22-L30 HydrophobicContact CG1-CD2 4.23Å; V22-Y32 HydrophobicContact CG2-CD1 4.07Å; V22-Y32 HydrophobicContact CG2-CE1 3.74Å
23S94Very high94.6Very high37 Ų3791.5 Ų91.526%0.25946%0.464SS..EExtended strand (participates in β ladder)trans-135.9141.3177.5-179.80000109.8V31S23-V31 PolarHBondContact N-O 3.49Å; S23-V31 PolarHBondContact O-N 3.25Å
24K94.6Very high94.6Very high138 Ų13885.3 Ų85.360%0.644%0.44SS*.EExtended strand (participates in β ladder)trans-87.2121.5174-168177.4-176.8-178.90108.3N28 L30K24-N28 WeakPolarHBondContact CE-OD1 3.4Å; K24-N28 PolarHBondContact NZ-OD1 3.37Å; K24-N28 VanDerWaalsContact NZ-OD1 3.1Å; K24-L30 HydrophobicContact CB-CD2 4Å; K24-L30 HydrophobicContact CG-CD2 4.23Å
25T93.8Very high94.6Very high44 Ų4481.6 Ų81.627%0.2742%0.424SS..  trans-78.5158.4174.456.90000110.5G27 N28 R29 V31T25-G27 PolarHBondContact O-N 2.96Å; T25-N28 PolarHBondContact O-N 3.4Å; T25-R29 PolarHBondContact N-O 2.91Å; T25-R29 WeakPolarHBondContact OG1-CB 3.46Å; T25-R29 PolarHBondContact OG1-N 3.41Å; T25-R29 PolarHBondContact OG1-O 3.11Å; T25-V31 HydrophobicContact CG2-CB 4.33Å; T25-V31 HydrophobicContact CG2-CG1 3.81Å; T25-V31 HydrophobicContact CG2-CG2 3.53Å
26P96.6Very high94.5Very high145 Ų14587.2 Ų87.294%0.94244%0.444SS*.THydrogen-bonded Turntrans-52-35.7174-29.336.5000113.6N28P26-N28 PolarHBondContact O-N 3.29Å
27G94Very high94.6Very high59 Ų5987 Ų8761%0.60843%0.432SS*.THydrogen-bonded Turntrans-74.120.9174.700000115.5T25 R29T25-G27 PolarHBondContact O-N 2.96Å; G27-R29 PolarHBondContact O-N 2.91Å; G27-R29 VanDerWaalsContact O-N 3.08Å
28N90.2Very high94.5Very high88 Ų8888.5 Ų88.547%0.47144%0.44SS..SBendtrans59.121.6177.2-160.420.8000115.2K3 K24 T25 P26K3-N28 PolarHBondContact NZ-O 2.93Å; K24-N28 WeakPolarHBondContact CE-OD1 3.4Å; K24-N28 PolarHBondContact NZ-OD1 3.37Å; K24-N28 VanDerWaalsContact NZ-OD1 3.1Å; T25-N28 PolarHBondContact O-N 3.4Å; P26-N28 PolarHBondContact O-N 3.29Å
29R91.8Very high94.4Very high189 Ų18988.8 Ų88.871%0.71344%0.444SS*.  trans-98.4136.4173.8-60.5178.6-175.7177.60.4110.4T25 G27T25-R29 PolarHBondContact N-O 2.91Å; T25-R29 WeakPolarHBondContact OG1-CB 3.46Å; T25-R29 PolarHBondContact OG1-N 3.41Å; T25-R29 PolarHBondContact OG1-O 3.11Å; G27-R29 PolarHBondContact O-N 2.91Å; G27-R29 VanDerWaalsContact O-N 3.08Å
30L94.4Very high94.3Very high62 Ų6287.7 Ų87.733%0.32545%0.451SS..EExtended strand (participates in β ladder)trans-81134.6168.6-65-175.5000108.9K3 L5 V22 K24K3-L30 HydrophobicContact CB-CD1 3.94Å; K3-L30 HydrophobicContact CD-CD1 4.48Å; K3-L30 HydrophobicContact CD-CG 4.35Å; L5-L30 HydrophobicContact CD1-CB 4.45Å; L5-L30 VanDerWaalsContact CD2-C 3.47Å; L5-L30 HydrophobicContact CD2-CB 3.73Å; L5-L30 WeakPolarHBondContact CD2-O 3.4Å; L5-L30 HydrophobicContact CG-CB 4.49Å; V22-L30 HydrophobicContact CG1-CB 4.27Å; V22-L30 HydrophobicContact CG1-CD1 4.39Å; V22-L30 HydrophobicContact CG1-CD2 4.23Å; K24-L30 HydrophobicContact CB-CD2 4Å; K24-L30 HydrophobicContact CG-CD2 4.23Å
31V94.7Very high94.2Very high33 Ų3385.5 Ų85.520%0.245%0.448CS..EExtended strand (participates in β ladder)trans-136.7153.7178.8-61.60000111.2S23 T25 L33S23-V31 PolarHBondContact N-O 3.49Å; S23-V31 PolarHBondContact O-N 3.25Å; T25-V31 HydrophobicContact CG2-CB 4.33Å; T25-V31 HydrophobicContact CG2-CG1 3.81Å; T25-V31 HydrophobicContact CG2-CG2 3.53Å; V31-L33 HydrophobicContact CG2-CD2 4.48Å
32Y95.8Very high94.3Very high43 Ų4379 Ų7917%0.16943%0.428CS..EExtended strand (participates in β ladder)trans-80.2126.6165.1-72.1-52.9000111.2L5 V6 L7 R8 R20 V22L5-Y32 HydrophobicContact CB-CD2 3.89Å; L5-Y32 HydrophobicContact CB-CE1 4.34Å; L5-Y32 HydrophobicContact CB-CE2 3.33Å; L5-Y32 HydrophobicContact CD1-CD1 3.92Å; L5-Y32 HydrophobicContact CD1-CD2 4.35Å; L5-Y32 HydrophobicContact CD1-CE1 3.68Å; L5-Y32 HydrophobicContact CD1-CE2 4.14Å; L5-Y32 HydrophobicContact CD1-CG 4.26Å; L5-Y32 HydrophobicContact CG-CE2 4.38Å; V6-Y32 WeakPolarHBondContact O-CD2 3.44Å; L7-Y32 HydrophobicContact CD2-CD2 4.19Å; L7-Y32 HydrophobicContact CD2-CE2 4.16Å; R8-Y32 WeakPolarHBondContact CD-O 3.42Å; R8-Y32 PolarHBondContact NH1-O 3.13Å; R20-Y32 HydrophobicContact CB-CD1 3.7Å; R20-Y32 HydrophobicContact CB-CE1 4.07Å; R20-Y32 HydrophobicContact CB-CG 4.3Å; R20-Y32 HydrophobicContact CG-CD1 4.17Å; R20-Y32 HydrophobicContact CG-CG 4.3Å; V22-Y32 HydrophobicContact CG2-CD1 4.07Å; V22-Y32 HydrophobicContact CG2-CE1 3.74Å
33L95.7Very high94.3Very high77 Ų7782.3 Ų82.340%0.40344%0.437SS..EExtended strand (participates in β ladder)trans-101.2144.1159.7-61.6-177.8000109.2R20 R21 V31 P35R20-L33 WeakPolarHBondContact CA-O 3.24Å; R21-L33 PolarHBondContact N-O 2.69Å; R21-L33 PolarHBondContact O-N 3.06Å; V31-L33 HydrophobicContact CG2-CD2 4.48Å; L33-P35 WeakPolarHBondContact O-CD 3.29Å
34Y96.1Very high94.5Very high37 Ų3780.6 Ų80.615%0.14543%0.425CS..  trans-107.189.9-176.4-67.5-86.4000110.6R8 R9 N18 R20R8-Y34 HydrophobicContact CB-CE2 4.07Å; R8-Y34 PolarHBondContact N-OH 3.27Å; R9-Y34 HydrophobicContact CG-CD2 4.31Å; R9-Y34 HydrophobicContact CG-CE1 4.16Å; R9-Y34 HydrophobicContact CG-CE2 3.93Å; R9-Y34 VanDerWaalsContact CZ-CB 3.45Å; R9-Y34 PolarHBondContact N-OH 3.22Å; R9-Y34 VanDerWaalsContact NH2-CB 3.35Å; N18-Y34 WeakPolarHBondContact OD1-CE1 3.32Å; R20-Y34 HydrophobicContact CG-CD1 3.98Å; R20-Y34 HydrophobicContact CG-CE1 3.63Å
35P94.7Very high94.5Very high55 Ų5576.6 Ų76.636%0.35742%0.423SS..PPolyproline II helixtrans-60.3140.7173.426.3-35.4000110.8R19 L33R19-P35 HydrophobicContact CG-CG 4.29Å; R19-P35 WeakPolarHBondContact O-CD 3.47Å; L33-P35 WeakPolarHBondContact O-CD 3.29Å
36K94.4Very high94.5Very high164 Ų16477.9 Ų77.971%0.71343%0.428SS*.PPolyproline II helixtrans-70153.4171.5-70.8176.9-176.3170.40109.6
37K95.2Very high94.5Very high104 Ų10473.8 Ų73.845%0.45240%0.402SS..PPolyproline II helixtrans-53.3135.2171.5-67.3-173.8180-176.80110.6S17 R58S17-K37 VanDerWaalsContact CA-CE 3.49Å; K37-R58 WeakPolarHBondContact O-CD 3.36Å; K37-R58 WeakPolarHBondContact O-CG 3.43Å
38P93Very high94.5Very high88 Ų8878.7 Ų78.757%0.57141%0.407SS*.PPolyproline II helixtrans-64.5145.3176.128.1-34.1000110.4
39G93.1Very high94.8Very high9 Ų977.9 Ų77.99%0.09341%0.405CS..PPolyproline II helixtrans-72.8150.7171.600000111.3R56G39-R56 VanDerWaalsContact O-CG 3.31Å; G39-R56 WeakPolarHBondContact O-CG 3.47Å; G39-R56 PolarHBondContact O-NE 3.14Å; G39-R56 PolarHBondContact O-NH2 2.98Å
40N93.4Very high94.9Very high147 Ų14777.2 Ų77.279%0.78640%0.402SS*.PPolyproline II helixtrans-76.6147.5169.8-72.1-22.2000110
41A93.4Very high95Very high28 Ų2874.5 Ų74.523%0.23139%0.389CS..PPolyproline II helixtrans-73139.9175.400000109.8R50 R56A41-R50 HydrophobicContact CB-CG 3.99Å; A41-R56 HydrophobicContact CB-CG 4.41Å
42P95.2Very high94.9Very high35 Ų3582 Ų8223%0.22742%0.419CS..PPolyproline II helixtrans-65.3137.5175.525.7-30.9000110L51 I54P42-L51 HydrophobicContact CB-CD1 4.48Å; P42-L51 HydrophobicContact CG-CB 4.43Å; P42-L51 PolarHBondContact O-N 3.15Å; P42-I54 HydrophobicContact CB-CD1 4.16Å; P42-I54 HydrophobicContact CB-CG2 4.31Å; P42-I54 HydrophobicContact CG-CB 3.59Å; P42-I54 HydrophobicContact CG-CD1 4.01Å; P42-I54 HydrophobicContact CG-CG1 4.42Å; P42-I54 HydrophobicContact CG-CG2 3.63Å
43K96.5Very high94.8Very high146 Ų14683.1 Ų83.164%0.63544%0.442SS*.BIsolated β-bridgetrans-114.5150.1-176.4-63.8-178.2-179.5-176.90110.4T49K43-T49 CarbonylContact C-O 3.49Å; K43-T49 VanDerWaalsContact CA-O 3.3Å; K43-T49 WeakPolarHBondContact CA-O 3.39Å
44C97Very high94.8Very high2 Ų280.5 Ų80.51%0.01443%0.429CS..  trans-63.2134.2170.7-177.90000109.5D46 K48 T49 L51 C81C44-D46 PolarHBondContact O-N 2.98Å; C44-K48 WeakPolarHBondContact O-CA 3.27Å; C44-K48 PolarHBondContact O-N 2.91Å; C44-T49 PolarHBondContact N-O 3.4Å; C44-L51 HydrophobicContact CB-CD2 3.94Å; C44-C81 HydrophobicContact CB-CB 4.18Å; C44-C81 PolarHBondContact SG-N 3.38Å
45G95Very high94.7Very high54 Ų5480.2 Ų80.256%0.55743%0.434SS*.THydrogen-bonded Turntrans-66.6-1917800000114.9S79 R80G45-S79 PolarHBondContact N-O 3.06Å; G45-R80 VanDerWaalsContact CA-NH1 3.28Å; G45-R80 PolarHBondContact O-NH1 3.3Å
46D95.1Very high94.7Very high70 Ų7084.3 Ų84.337%0.37444%0.442SS..THydrogen-bonded Turntrans-95.5-72180-64.2-41.6000110C44 K48 R80 C84 R88C44-D46 PolarHBondContact O-N 2.98Å; D46-K48 VanDerWaalsContact C-N 3.35Å; D46-K48 PolarHBondContact O-N 3.31Å; D46-R80 VanDerWaalsContact N-NH1 3.1Å; D46-R80 IonicContact OD1-CZ 3.25Å; D46-R80 IonicContact OD1-NH1 3.85Å; D46-R80 PolarHBondContact OD1-NH1 3.43Å; D46-R80 WeakPolarHBondContact OD2-CD 3.46Å; D46-R80 IonicContact OD2-CZ 3.6Å; D46-R80 IonicContact OD2-NE 3.23Å; D46-R80 IonicContact OD2-NH1 2.66Å; D46-R80 PolarHBondContact OD2-NH1 3.15Å; D46-C84 HydrophobicContact CB-CB 4.32Å; D46-R88 IonicContact OD1-NH2 3.61Å; D46-R88 PolarHBondContact OD1-NH2 2.94Å; D46-R88 IonicContact OD2-CZ 2.71Å; D46-R88 IonicContact OD2-NE 3.09Å; D46-R88 PolarHBondContact OD2-NE 3.15Å; D46-R88 IonicContact OD2-NH2 2.98Å; D46-R88 PolarHBondContact OD2-NH2 3.27Å; D46-R88 VanDerWaalsContact OD2-NH2 3.09Å
47C95.7Very high94.8Very high60 Ų6078.1 Ų78.141%0.40542%0.418SS..THydrogen-bonded Turntrans-85.80.7-174.159.80000114.9T49C47-T49 HydrophobicContact CB-CG2 4.24Å; C47-T49 PolarHBondContact O-N 2.95Å; C47-T49 PolarHBondContact SG-OG1 2.71Å
48K95Very high94.8Very high162 Ų16278.4 Ų78.470%0.70442%0.416SS*.  trans58.110-180-58175.1-178.1172.60115.4C44 D46C44-K48 WeakPolarHBondContact O-CA 3.27Å; C44-K48 PolarHBondContact O-N 2.91Å; D46-K48 VanDerWaalsContact C-N 3.35Å; D46-K48 PolarHBondContact O-N 3.31Å
49T95.4Very high94.9Very high70 Ų7079.4 Ų79.443%0.42942%0.423SS..PPolyproline II helixtrans-68.9153.6174.560.10000111.3K43 C44 C47 L51K43-T49 CarbonylContact C-O 3.49Å; K43-T49 VanDerWaalsContact CA-O 3.3Å; K43-T49 WeakPolarHBondContact CA-O 3.39Å; C44-T49 PolarHBondContact N-O 3.4Å; C47-T49 HydrophobicContact CB-CG2 4.24Å; C47-T49 PolarHBondContact O-N 2.95Å; C47-T49 PolarHBondContact SG-OG1 2.71Å; T49-L51 PolarHBondContact O-N 2.98Å
50R95.2Very high95Very high175 Ų17587.9 Ų87.966%0.6645%0.452SS*.BIsolated β-bridgetrans-65.5129.3178.3177.2176.9171.9-166.3-3.8111A41A41-R50 HydrophobicContact CB-CG 3.99Å
51L95.4Very high95Very high6 Ų685.6 Ų85.63%0.03144%0.436CS..PPolyproline II helixtrans-77.2127.4174.3-64.4176.7000110.6P42 C44 T49 I54 G78 C81P42-L51 HydrophobicContact CB-CD1 4.48Å; P42-L51 HydrophobicContact CG-CB 4.43Å; P42-L51 PolarHBondContact O-N 3.15Å; C44-L51 HydrophobicContact CB-CD2 3.94Å; T49-L51 PolarHBondContact O-N 2.98Å; L51-I54 HydrophobicContact CB-CD1 3.63Å; L51-I54 HydrophobicContact CB-CG1 4.45Å; L51-I54 HydrophobicContact CD1-CD1 3.68Å; L51-I54 HydrophobicContact CG-CD1 4.3Å; L51-G78 WeakPolarHBondContact CD1-O 3.47Å; L51-C81 HydrophobicContact CD2-CB 4.07Å
52K93.7Very high95.1Very high191 Ų19187.2 Ų87.283%0.8344%0.441SS*.THydrogen-bonded Turntrans-79.9151.2174.4-60.3-177.5-179.5-177.60109.9I54K52-I54 VanDerWaalsContact C-N 3.32Å; K52-I54 PolarHBondContact O-N 3.38Å
53G93.6Very high95.1Very high65 Ų6589.1 Ų89.167%0.6746%0.46SS*.THydrogen-bonded Turntrans81.4-2.1176.300000116.1
54I94.8Very high95.1Very high23 Ų2390.6 Ų90.612%0.11846%0.461CS..SBendtrans-109.3134.3178.4-50.1168.7000110P42 L51 K52 R56 V72P42-I54 HydrophobicContact CB-CD1 4.16Å; P42-I54 HydrophobicContact CB-CG2 4.31Å; P42-I54 HydrophobicContact CG-CB 3.59Å; P42-I54 HydrophobicContact CG-CD1 4.01Å; P42-I54 HydrophobicContact CG-CG1 4.42Å; P42-I54 HydrophobicContact CG-CG2 3.63Å; L51-I54 HydrophobicContact CB-CD1 3.63Å; L51-I54 HydrophobicContact CB-CG1 4.45Å; L51-I54 HydrophobicContact CD1-CD1 3.68Å; L51-I54 HydrophobicContact CG-CD1 4.3Å; K52-I54 VanDerWaalsContact C-N 3.32Å; K52-I54 PolarHBondContact O-N 3.38Å; I54-R56 PolarHBondContact O-N 3.41Å; I54-V72 HydrophobicContact CG1-CG2 4.2Å
55A94.9Very high95Very high30 Ų3091.4 Ų91.425%0.24847%0.465CS..  trans-63.7131-178.300000112.9V57 L65 R69A55-V57 HydrophobicContact CB-CG1 4.24Å; A55-V57 HydrophobicContact CB-CG2 4.39Å; A55-V57 PolarHBondContact O-N 3.02Å; A55-L65 HydrophobicContact CB-CD1 3.6Å; A55-R69 HydrophobicContact CB-CB 4.46Å; A55-R69 WeakPolarHBondContact CB-O 3.46Å; A55-R69 PolarHBondContact N-O 3.49Å
56R94.9Very high95.1Very high142 Ų14292.3 Ų92.354%0.53646%0.461SS..  trans-84.191.5172-178.7-172.1175.1-151.72.4109.9G39 A41 I54G39-R56 VanDerWaalsContact O-CG 3.31Å; G39-R56 WeakPolarHBondContact O-CG 3.47Å; G39-R56 PolarHBondContact O-NE 3.14Å; G39-R56 PolarHBondContact O-NH2 2.98Å; A41-R56 HydrophobicContact CB-CG 4.41Å; I54-R56 PolarHBondContact O-N 3.41Å
57V95Very high95.1Very high34 Ų3498.3 Ų98.321%0.20648%0.479CS..  trans-139.4166.2-176.6-64.10000112A55 H61 L62 L65A55-V57 HydrophobicContact CB-CG1 4.24Å; A55-V57 HydrophobicContact CB-CG2 4.39Å; A55-V57 PolarHBondContact O-N 3.02Å; V57-H61 HydrophobicContact CB-CB 4.2Å; V57-H61 WeakPolarHBondContact CG1-ND1 3.44Å; V57-H61 HydrophobicContact CG2-CB 4.48Å; V57-L62 HydrophobicContact CG2-CB 3.75Å; V57-L62 HydrophobicContact CG2-CD1 3.8Å; V57-L62 HydrophobicContact CG2-CG 4.38Å; V57-L65 HydrophobicContact CG1-CD1 4.23Å; V57-L65 HydrophobicContact CG2-CD1 3.77Å
58R95.1Very high95.1Very high109 Ų109100.2 Ų100.241%0.41149%0.49SS..  trans-67.6152.1173.6-66.7-176.872.7165-2.7110.5K37 R60 H61 L62K37-R58 WeakPolarHBondContact O-CD 3.36Å; K37-R58 WeakPolarHBondContact O-CG 3.43Å; R58-R60 VanDerWaalsContact C-N 3.31Å; R58-R60 PolarHBondContact O-N 3.25Å; R58-H61 WeakPolarHBondContact O-CA 3.24Å; R58-H61 PolarHBondContact O-N 3.19Å; R58-L62 PolarHBondContact O-N 2.92Å
59P95.1Very high95.1Very high109 Ų10999.9 Ų99.971%0.70848%0.484SS*.Hα-helixtrans-50.9-44.9-178.8-29.435.3000114.2H61 L62 A63P59-H61 VanDerWaalsContact C-N 3.31Å; P59-H61 PolarHBondContact O-N 2.93Å; P59-L62 WeakPolarHBondContact O-CB 3.34Å; P59-L62 PolarHBondContact O-N 3.47Å; P59-A63 PolarHBondContact O-N 2.97Å
60R94.9Very high95.1Very high187 Ų18799.8 Ų99.871%0.70648%0.478SS*.Hα-helixtrans-62.9-34.3177.3-168.6176.5-172.9-140.91.2113.7R58R58-R60 VanDerWaalsContact C-N 3.31Å; R58-R60 PolarHBondContact O-N 3.25Å
61H95.2Very high95.1Very high99 Ų9993.6 Ų93.646%0.45846%0.46SS..Hα-helixtrans-78.6-35.8176.5-170.8-124.7000111V57 R58 P59 A63 R64 L65V57-H61 HydrophobicContact CB-CB 4.2Å; V57-H61 WeakPolarHBondContact CG1-ND1 3.44Å; V57-H61 HydrophobicContact CG2-CB 4.48Å; R58-H61 WeakPolarHBondContact O-CA 3.24Å; R58-H61 PolarHBondContact O-N 3.19Å; P59-H61 VanDerWaalsContact C-N 3.31Å; P59-H61 PolarHBondContact O-N 2.93Å; H61-A63 VanDerWaalsContact C-N 3.26Å; H61-A63 PolarHBondContact O-N 3.09Å; H61-R64 PolarHBondContact O-N 3.27Å; H61-L65 PolarHBondContact O-N 3.09Å
62L95.1Very high95.1Very high63 Ų6395.4 Ų95.433%0.3347%0.471SS..Hα-helixtrans-56.6-41.6173.2-169.665000111.4V57 R58 P59 R64 L65 K70V57-L62 HydrophobicContact CG2-CB 3.75Å; V57-L62 HydrophobicContact CG2-CD1 3.8Å; V57-L62 HydrophobicContact CG2-CG 4.38Å; R58-L62 PolarHBondContact O-N 2.92Å; P59-L62 WeakPolarHBondContact O-CB 3.34Å; P59-L62 PolarHBondContact O-N 3.47Å; L62-R64 PolarHBondContact O-N 3.42Å; L62-L65 HydrophobicContact CD1-CD1 4.44Å; L62-L65 PolarHBondContact O-N 3.12Å; L62-K70 HydrophobicContact CD1-CG 4.04Å; L62-K70 WeakPolarHBondContact O-CE 3.42Å; L62-K70 PolarHBondContact O-NZ 2.96Å
63A94.9Very high95.2Very high75 Ų7593.9 Ų93.962%0.6247%0.472SS*.Hα-helixtrans-56.9-36.1176.400000112.7P59 H61 K70P59-A63 PolarHBondContact O-N 2.97Å; H61-A63 VanDerWaalsContact C-N 3.26Å; H61-A63 PolarHBondContact O-N 3.09Å; A63-K70 PolarHBondContact O-NZ 2.94Å
64R96.5Very high95.3Very high177 Ų17794.6 Ų94.667%0.66846%0.455SS*.Hα-helixtrans-84.9-16.6-176.9-63.9179.8177.9-166.6-6.8115.2H61 L62H61-R64 PolarHBondContact O-N 3.27Å; L62-R64 PolarHBondContact O-N 3.42Å
65L95.6Very high95.3Very high18 Ų1896.3 Ų96.39%0.09447%0.472CS..SBendtrans-68156.5-179.5-72.4177.6000111.4A55 V57 H61 L62 R69 K70A55-L65 HydrophobicContact CB-CD1 3.6Å; V57-L65 HydrophobicContact CG1-CD1 4.23Å; V57-L65 HydrophobicContact CG2-CD1 3.77Å; H61-L65 PolarHBondContact O-N 3.09Å; L62-L65 HydrophobicContact CD1-CD1 4.44Å; L62-L65 PolarHBondContact O-N 3.12Å; L65-R69 HydrophobicContact CB-CB 4.34Å; L65-R69 HydrophobicContact CD1-CB 4.28Å; L65-K70 VanDerWaalsContact C-CE 3.5Å; L65-K70 HydrophobicContact CB-CG 4.41Å; L65-K70 WeakPolarHBondContact O-CE 3.44Å; L65-K70 PolarHBondContact O-NZ 3Å
66P97.1Very high95.4Very high73 Ų73101.4 Ų101.447%0.47449%0.486SS..  trans-70.8156.9169.631-36.8000111.2P68 R69P66-P68 VanDerWaalsContact C-CD 3.46Å; P66-R69 HydrophobicContact CG-CG 4.2Å; P66-R69 PolarHBondContact O-N 3.28Å; P66-R69 VanDerWaalsContact O-N 3.16Å
67R95.2Very high95.4Very high197 Ų19795.8 Ų95.874%0.74347%0.472SS*.G310 helixtrans-52.2-44.4-175.9-178175.5176.8154.1-2.3114.4R69 K70 T71R67-R69 PolarHBondContact O-N 2.94Å; R67-K70 PolarHBondContact O-N 3.43Å; R67-T71 HydrophobicContact CG-CG2 4.38Å; R67-T71 PolarHBondContact O-N 3.16Å; R67-T71 VanDerWaalsContact O-N 3.16Å; R67-T71 PolarHBondContact O-OG1 3.41Å
68P95.4Very high95.2Very high100 Ų10095.4 Ų95.465%0.64948%0.475SS*.G310 helixtrans-61-22.7-178.1-24.835.6000114.4P66P66-P68 VanDerWaalsContact C-CD 3.46Å
69R94.9Very high95.3Very high154 Ų15492.6 Ų92.658%0.58147%0.472SS*.G310 helixtrans-84-10.9176-66.4-173.2177.1-175.60.1113.5A55 L65 P66 R67A55-R69 HydrophobicContact CB-CB 4.46Å; A55-R69 WeakPolarHBondContact CB-O 3.46Å; A55-R69 PolarHBondContact N-O 3.49Å; L65-R69 HydrophobicContact CB-CB 4.34Å; L65-R69 HydrophobicContact CD1-CB 4.28Å; P66-R69 HydrophobicContact CG-CG 4.2Å; P66-R69 PolarHBondContact O-N 3.28Å; P66-R69 VanDerWaalsContact O-N 3.16Å; R67-R69 PolarHBondContact O-N 2.94Å
70K94.8Very high95.3Very high69 Ų6990 Ų9030%0.345%0.449SS..THydrogen-bonded Turntrans-103-26.1-179.5-53.6-174.7-155.8-176.30112.6L62 A63 L65 R67L62-K70 HydrophobicContact CD1-CG 4.04Å; L62-K70 WeakPolarHBondContact O-CE 3.42Å; L62-K70 PolarHBondContact O-NZ 2.96Å; A63-K70 PolarHBondContact O-NZ 2.94Å; L65-K70 VanDerWaalsContact C-CE 3.5Å; L65-K70 HydrophobicContact CB-CG 4.41Å; L65-K70 WeakPolarHBondContact O-CE 3.44Å; L65-K70 PolarHBondContact O-NZ 3Å; R67-K70 PolarHBondContact O-N 3.43Å
71T95.8Very high95.4Very high45 Ų4581.7 Ų81.728%0.27642%0.419SS..  trans-124.4166.5-170.959.30000112.4R67R67-T71 HydrophobicContact CG-CG2 4.38Å; R67-T71 PolarHBondContact O-N 3.16Å; R67-T71 VanDerWaalsContact O-N 3.16Å; R67-T71 PolarHBondContact O-OG1 3.41Å
72V95.4Very high95.4Very high44 Ų4480.9 Ų80.927%0.26742%0.422SS..  trans-124138.3171.7-179.10000107.5I54 R74 G77I54-V72 HydrophobicContact CG1-CG2 4.2Å; V72-R74 VanDerWaalsContact C-N 3.3Å; V72-R74 HydrophobicContact CG1-CG 4.17Å; V72-R74 PolarHBondContact O-N 3.42Å; V72-G77 WeakPolarHBondContact O-CA 3.19Å
73N95.6Very high95.5Very high159 Ų15985.3 Ų85.385%0.8544%0.439SS*.SBendtrans-79.872.5-174.9-64.7-9.8000111.9
74R94.3Very high95.6Very high80 Ų8082.5 Ų82.530%0.30241%0.414SS..SBendtrans-157.6168.8171.363.5-178.117291.46110.9V72 Y76 G77 R80 C81 V85V72-R74 VanDerWaalsContact C-N 3.3Å; V72-R74 HydrophobicContact CG1-CG 4.17Å; V72-R74 PolarHBondContact O-N 3.42Å; R74-Y76 PolarHBondContact O-N 2.66Å; R74-G77 WeakPolarHBondContact O-CA 3.36Å; R74-G77 PolarHBondContact O-N 3.23Å; R74-R80 PolarHBondContact NH1-O 2.98Å; R74-R80 PolarHBondContact NH2-O 3.25Å; R74-C81 VanDerWaalsContact NH1-C 3.32Å; R74-C81 PolarHBondContact NH1-O 3.09Å; R74-V85 VanDerWaalsContact NH1-CG2 3.26Å
75A95.9Very high95.7Very high59 Ų5974.7 Ų74.749%0.48839%0.386SS..THydrogen-bonded Turntrans-54132.8171.700000111.2G77 V85A75-G77 PolarHBondContact O-N 2.94Å; A75-G77 VanDerWaalsContact O-N 3.15Å; A75-V85 HydrophobicContact CB-CG1 4.33Å
76Y96.2Very high95.7Very high136 Ų13677.6 Ų77.653%0.53341%0.405SS..THydrogen-bonded Turntrans53.628.2-173.8-56-88.8000114.5R74 S79 R80 V85R74-Y76 PolarHBondContact O-N 2.66Å; Y76-S79 PolarHBondContact O-N 3.3Å; Y76-S79 PolarHBondContact O-OG 3.37Å; Y76-R80 HydrophobicContact CD1-CG 4.39Å; Y76-R80 HydrophobicContact CG-CG 4.25Å; Y76-R80 PolarHBondContact O-N 3.01Å; Y76-V85 HydrophobicContact CD2-CG2 4.41Å
77G94.4Very high95.7Very high24 Ų2478.8 Ų78.825%0.24741%0.407CS..THydrogen-bonded Turntrans-56.5142.4173.900000111.5V72 R74 A75 S79V72-G77 WeakPolarHBondContact O-CA 3.19Å; R74-G77 WeakPolarHBondContact O-CA 3.36Å; R74-G77 PolarHBondContact O-N 3.23Å; A75-G77 PolarHBondContact O-N 2.94Å; A75-G77 VanDerWaalsContact O-N 3.15Å; G77-S79 PolarHBondContact O-N 2.93Å
78G92.7Very high95.8Very high27 Ų2773.4 Ų73.428%0.27839%0.387SS..THydrogen-bonded Turntrans83.9-20.7-17800000115.5L51L51-G78 WeakPolarHBondContact CD1-O 3.47Å
79S95.7Very high96Very high49 Ų4973.7 Ų73.734%0.34338%0.382SS..THydrogen-bonded Turntrans-120.6-37.3-174.261.70000114.3G45 Y76 G77G45-S79 PolarHBondContact N-O 3.06Å; Y76-S79 PolarHBondContact O-N 3.3Å; Y76-S79 PolarHBondContact O-OG 3.37Å; G77-S79 PolarHBondContact O-N 2.93Å
80R96.6Very high96.1Very high56 Ų5669.7 Ų69.721%0.21138%0.375CS..SBendtrans-119.2150.7-178.4-54.1-57.8174.8169.2-5.4110.8G45 D46 R74 Y76 V85G45-R80 VanDerWaalsContact CA-NH1 3.28Å; G45-R80 PolarHBondContact O-NH1 3.3Å; D46-R80 VanDerWaalsContact N-NH1 3.1Å; D46-R80 IonicContact OD1-CZ 3.25Å; D46-R80 IonicContact OD1-NH1 3.85Å; D46-R80 PolarHBondContact OD1-NH1 3.43Å; D46-R80 WeakPolarHBondContact OD2-CD 3.46Å; D46-R80 IonicContact OD2-CZ 3.6Å; D46-R80 IonicContact OD2-NE 3.23Å; D46-R80 IonicContact OD2-NH1 2.66Å; D46-R80 PolarHBondContact OD2-NH1 3.15Å; R74-R80 PolarHBondContact NH1-O 2.98Å; R74-R80 PolarHBondContact NH2-O 3.25Å; Y76-R80 HydrophobicContact CD1-CG 4.39Å; Y76-R80 HydrophobicContact CG-CG 4.25Å; Y76-R80 PolarHBondContact O-N 3.01Å; R80-V85 HydrophobicContact CB-CG2 3.68Å
81C96.2Very high96.3Very high12 Ų1275.1 Ų75.18%0.08139%0.393CS..  trans-81.1164.217476.40000111.2C44 L51 R74 K83 C84 V85C44-C81 HydrophobicContact CB-CB 4.18Å; C44-C81 PolarHBondContact SG-N 3.38Å; L51-C81 HydrophobicContact CD2-CB 4.07Å; R74-C81 VanDerWaalsContact NH1-C 3.32Å; R74-C81 PolarHBondContact NH1-O 3.09Å; C81-K83 VanDerWaalsContact C-N 3.34Å; C81-K83 PolarHBondContact O-N 3.26Å; C81-C84 PolarHBondContact O-N 3.34Å; C81-C84 PolarHBondContact SG-N 3.26Å; C81-C84 VanDerWaalsContact SG-N 3.42Å; C81-C84 PolarHBondContact SG-SG 3.06Å; C81-V85 WeakPolarHBondContact O-CG2 3.24Å; C81-V85 PolarHBondContact O-N 3.35Å; C81-V85 VanDerWaalsContact O-N 3.08Å
82P95.8Very high96.4Very high81 Ų8175.6 Ų75.653%0.52640%0.402SS..Hα-helixtrans-57.2-46-178.4-24.634.9000112.4C84 V85 T86P82-C84 VanDerWaalsContact C-N 3.35Å; P82-C84 PolarHBondContact O-N 3.42Å; P82-V85 PolarHBondContact O-N 3.02Å; P82-T86 PolarHBondContact O-N 3.06Å; P82-T86 PolarHBondContact O-OG1 3.27Å
83K96.6Very high96.5Very high157 Ų15779.2 Ų79.268%0.68341%0.414SS*.Hα-helixtrans-55.8-45.3177.5-173174.7-177.7174.60112.9C81 V85 T86 N87C81-K83 VanDerWaalsContact C-N 3.34Å; C81-K83 PolarHBondContact O-N 3.26Å; K83-V85 VanDerWaalsContact C-N 3.34Å; K83-V85 PolarHBondContact O-N 3.45Å; K83-T86 PolarHBondContact O-N 3.49Å; K83-N87 VanDerWaalsContact O-CG 3.28Å; K83-N87 PolarHBondContact O-N 3.06Å; K83-N87 PolarHBondContact O-OD1 3.08Å
84C97.1Very high96.6Very high16 Ų1676.3 Ų76.311%0.10840%0.398CS..Hα-helixtrans-69.3-32.1178.5-68.30000112.6D46 C81 P82 R88D46-C84 HydrophobicContact CB-CB 4.32Å; C81-C84 PolarHBondContact O-N 3.34Å; C81-C84 PolarHBondContact SG-N 3.26Å; C81-C84 VanDerWaalsContact SG-N 3.42Å; C81-C84 PolarHBondContact SG-SG 3.06Å; P82-C84 VanDerWaalsContact C-N 3.35Å; P82-C84 PolarHBondContact O-N 3.42Å; C84-R88 VanDerWaalsContact O-CG 3.29Å; C84-R88 WeakPolarHBondContact O-CG 3.05Å; C84-R88 PolarHBondContact O-N 2.91Å
85V97.5Very high96.8Very high12 Ų1275.5 Ų75.57%0.07340%0.399CS..Hα-helixtrans-69.2-44.8175.2173.90000110.7R74 A75 Y76 R80 C81 P82 K83 N87 R88 I89R74-V85 VanDerWaalsContact NH1-CG2 3.26Å; A75-V85 HydrophobicContact CB-CG1 4.33Å; Y76-V85 HydrophobicContact CD2-CG2 4.41Å; R80-V85 HydrophobicContact CB-CG2 3.68Å; C81-V85 WeakPolarHBondContact O-CG2 3.24Å; C81-V85 PolarHBondContact O-N 3.35Å; C81-V85 VanDerWaalsContact O-N 3.08Å; P82-V85 PolarHBondContact O-N 3.02Å; K83-V85 VanDerWaalsContact C-N 3.34Å; K83-V85 PolarHBondContact O-N 3.45Å; V85-N87 VanDerWaalsContact C-N 3.35Å; V85-N87 PolarHBondContact O-N 2.93Å; V85-R88 WeakPolarHBondContact O-CB 3.29Å; V85-R88 PolarHBondContact O-N 3.42Å; V85-R88 VanDerWaalsContact O-N 3.15Å; V85-I89 HydrophobicContact CG1-CD1 3.9Å; V85-I89 HydrophobicContact CG1-CG1 4.49Å; V85-I89 WeakPolarHBondContact O-CG1 3.43Å; V85-I89 PolarHBondContact O-N 3.06Å
86T97.4Very high96.9Very high80 Ų8077.2 Ų77.249%0.49140%0.397SS..Hα-helixtrans-56.6-48.1173.5-54.70000111.4P82 K83 R88 I89 V90P82-T86 PolarHBondContact O-N 3.06Å; P82-T86 PolarHBondContact O-OG1 3.27Å; K83-T86 PolarHBondContact O-N 3.49Å; T86-R88 VanDerWaalsContact C-N 3.28Å; T86-R88 PolarHBondContact O-N 3.23Å; T86-I89 PolarHBondContact O-N 2.65Å; T86-I89 VanDerWaalsContact O-N 3.16Å; T86-V90 HydrophobicContact CG2-CG2 4.32Å; T86-V90 WeakPolarHBondContact O-CG2 3.45Å; T86-V90 PolarHBondContact O-N 2.77Å
87N97.2Very high97Very high97 Ų9774.7 Ų74.752%0.51939%0.39SS..Hα-helixtrans-60.5-36.9178-70.20.1000112.5K83 V85 R91K83-N87 VanDerWaalsContact O-CG 3.28Å; K83-N87 PolarHBondContact O-N 3.06Å; K83-N87 PolarHBondContact O-OD1 3.08Å; V85-N87 VanDerWaalsContact C-N 3.35Å; V85-N87 PolarHBondContact O-N 2.93Å; N87-R91 WeakPolarHBondContact O-CB 3.36Å; N87-R91 PolarHBondContact O-N 3.4Å
88R97.3Very high97.1Very high85 Ų8579.3 Ų79.332%0.32141%0.405SS..Hα-helixtrans-65.6-44175.8-76.9169.8-179.5-108-8.4111.7D46 C84 V85 T86 A92D46-R88 IonicContact OD1-NH2 3.61Å; D46-R88 PolarHBondContact OD1-NH2 2.94Å; D46-R88 IonicContact OD2-CZ 2.71Å; D46-R88 IonicContact OD2-NE 3.09Å; D46-R88 PolarHBondContact OD2-NE 3.15Å; D46-R88 IonicContact OD2-NH2 2.98Å; D46-R88 PolarHBondContact OD2-NH2 3.27Å; D46-R88 VanDerWaalsContact OD2-NH2 3.09Å; C84-R88 VanDerWaalsContact O-CG 3.29Å; C84-R88 WeakPolarHBondContact O-CG 3.05Å; C84-R88 PolarHBondContact O-N 2.91Å; V85-R88 WeakPolarHBondContact O-CB 3.29Å; V85-R88 PolarHBondContact O-N 3.42Å; V85-R88 VanDerWaalsContact O-N 3.15Å; T86-R88 VanDerWaalsContact C-N 3.28Å; T86-R88 PolarHBondContact O-N 3.23Å; R88-A92 VanDerWaalsContact O-CB 3.24Å; R88-A92 WeakPolarHBondContact O-CB 3.36Å; R88-A92 PolarHBondContact O-N 3.18Å
89I97.7Very high97.4Very high105 Ų10583.3 Ų83.354%0.53842%0.415SS..Hα-helixtrans-63.5-53.5179.4-65.7165.6000109.9V85 T86 R91 A92 F93V85-I89 HydrophobicContact CG1-CD1 3.9Å; V85-I89 HydrophobicContact CG1-CG1 4.49Å; V85-I89 WeakPolarHBondContact O-CG1 3.43Å; V85-I89 PolarHBondContact O-N 3.06Å; T86-I89 PolarHBondContact O-N 2.65Å; T86-I89 VanDerWaalsContact O-N 3.16Å; I89-R91 PolarHBondContact O-N 3.31Å; I89-A92 PolarHBondContact O-N 3.09Å; I89-F93 WeakPolarHBondContact O-CB 3.3Å; I89-F93 PolarHBondContact O-N 3.36Å
90V98Very high97.4Very high71 Ų7185.1 Ų85.143%0.4342%0.42SS..Hα-helixtrans-61.3-44.8-179.2175.10000111T86 A92 F93 L94T86-V90 HydrophobicContact CG2-CG2 4.32Å; T86-V90 WeakPolarHBondContact O-CG2 3.45Å; T86-V90 PolarHBondContact O-N 2.77Å; V90-A92 PolarHBondContact O-N 2.89Å; V90-F93 PolarHBondContact O-N 3.06Å; V90-L94 HydrophobicContact CG1-CD1 3.75Å; V90-L94 HydrophobicContact CG1-CG 4.22Å; V90-L94 WeakPolarHBondContact O-CB 3.18Å; V90-L94 VanDerWaalsContact O-CG 3.3Å; V90-L94 WeakPolarHBondContact O-CG 3.49Å; V90-L94 PolarHBondContact O-N 2.89Å
91R98Very high97.5Very high182 Ų18286.1 Ų86.169%0.68743%0.432SS*.Hα-helixtrans-62.8-43.5178.1-178.6177.9178.4-176.71112.1N87 I89 I95N87-R91 WeakPolarHBondContact O-CB 3.36Å; N87-R91 PolarHBondContact O-N 3.4Å; I89-R91 PolarHBondContact O-N 3.31Å; R91-I95 HydrophobicContact CG-CD1 3.64Å; R91-I95 HydrophobicContact CG-CG1 4.38Å; R91-I95 WeakPolarHBondContact O-CB 3.11Å; R91-I95 WeakPolarHBondContact O-CD1 3.36Å; R91-I95 WeakPolarHBondContact O-CG1 3.3Å; R91-I95 PolarHBondContact O-N 3.4Å; R91-I95 VanDerWaalsContact O-N 3.09Å
92A98Very high97.5Very high56 Ų5689 Ų8946%0.46345%0.447SS..Hα-helixtrans-62.6-47.7178.400000110.8R88 I89 V90 I95 E96R88-A92 VanDerWaalsContact O-CB 3.24Å; R88-A92 WeakPolarHBondContact O-CB 3.36Å; R88-A92 PolarHBondContact O-N 3.18Å; I89-A92 PolarHBondContact O-N 3.09Å; V90-A92 PolarHBondContact O-N 2.89Å; A92-I95 PolarHBondContact O-N 2.93Å; A92-E96 WeakPolarHBondContact O-CG 2.92Å; A92-E96 PolarHBondContact O-N 3.19Å; A92-E96 VanDerWaalsContact O-N 3.09Å
93F98.4Very high97.5Very high119 Ų11990.1 Ų90.152%0.52245%0.445SS..Hα-helixtrans-57-55.6177.1174.5-109000112I89 V90 I95 E96 E97I89-F93 WeakPolarHBondContact O-CB 3.3Å; I89-F93 PolarHBondContact O-N 3.36Å; V90-F93 PolarHBondContact O-N 3.06Å; F93-I95 VanDerWaalsContact C-N 3.29Å; F93-I95 PolarHBondContact O-N 3.33Å; F93-E96 PolarHBondContact O-N 3.25Å; F93-E96 VanDerWaalsContact O-N 3.12Å; F93-E97 HydrophobicContact CD1-CG 4.36Å; F93-E97 HydrophobicContact CD2-CG 4.08Å; F93-E97 HydrophobicContact CE1-CG 3.94Å; F93-E97 HydrophobicContact CE2-CG 3.61Å; F93-E97 WeakPolarHBondContact CE2-OE1 3.31Å; F93-E97 HydrophobicContact CG-CG 4.43Å; F93-E97 HydrophobicContact CZ-CG 3.54Å; F93-E97 WeakPolarHBondContact O-CG 3.41Å; F93-E97 PolarHBondContact O-N 3.3Å
94L98.3Very high97.5Very high99 Ų9985.6 Ų85.652%0.51843%0.43SS..Hα-helixtrans-62.4-34.7-177.1-67.2177.2000113.1V90 Q98V90-L94 HydrophobicContact CG1-CD1 3.75Å; V90-L94 HydrophobicContact CG1-CG 4.22Å; V90-L94 WeakPolarHBondContact O-CB 3.18Å; V90-L94 VanDerWaalsContact O-CG 3.3Å; V90-L94 WeakPolarHBondContact O-CG 3.49Å; V90-L94 PolarHBondContact O-N 2.89Å; L94-Q98 VanDerWaalsContact O-CB 3.24Å; L94-Q98 WeakPolarHBondContact O-CB 3.49Å; L94-Q98 PolarHBondContact O-N 2.87Å
95I98.2Very high97.4Very high62 Ų6289.2 Ų89.232%0.31845%0.448SS..Hα-helixtrans-67.4-42.3176.3-72.9172.2000110.8R91 A92 F93 Q98 K99R91-I95 HydrophobicContact CG-CD1 3.64Å; R91-I95 HydrophobicContact CG-CG1 4.38Å; R91-I95 WeakPolarHBondContact O-CB 3.11Å; R91-I95 WeakPolarHBondContact O-CD1 3.36Å; R91-I95 WeakPolarHBondContact O-CG1 3.3Å; R91-I95 PolarHBondContact O-N 3.4Å; R91-I95 VanDerWaalsContact O-N 3.09Å; A92-I95 PolarHBondContact O-N 2.93Å; F93-I95 VanDerWaalsContact C-N 3.29Å; F93-I95 PolarHBondContact O-N 3.33Å; I95-Q98 PolarHBondContact O-N 3.03Å; I95-K99 HydrophobicContact CG2-CD 4.34Å; I95-K99 VanDerWaalsContact O-CG 3.27Å; I95-K99 WeakPolarHBondContact O-CG 3.36Å; I95-K99 PolarHBondContact O-N 3.16Å
96E98Very high97.2Very high96 Ų9695.4 Ų95.445%0.44947%0.474SS..Hα-helixtrans-66.3-44.1176.9-68.5-53.5134.200111.5A92 F93 Q98 K99 I100A92-E96 WeakPolarHBondContact O-CG 2.92Å; A92-E96 PolarHBondContact O-N 3.19Å; A92-E96 VanDerWaalsContact O-N 3.09Å; F93-E96 PolarHBondContact O-N 3.25Å; F93-E96 VanDerWaalsContact O-N 3.12Å; E96-Q98 VanDerWaalsContact C-N 3.35Å; E96-Q98 PolarHBondContact O-N 3.06Å; E96-K99 WeakPolarHBondContact O-CB 3.47Å; E96-K99 PolarHBondContact O-N 2.88Å; E96-K99 VanDerWaalsContact O-N 3.15Å; E96-K99 IonicContact OE1-NZ 3.85Å; E96-K99 PolarHBondContact OE1-NZ 2.92Å; E96-K99 IonicContact OE2-NZ 3.86Å; E96-I100 WeakPolarHBondContact O-CG1 3.49Å; E96-I100 PolarHBondContact O-N 3.36Å
97E98Very high97.1Very high83 Ų8397.4 Ų97.439%0.38848%0.476SS..Hα-helixtrans-57.7-46.7173.9-69.9-58.9130.900111.7F93 K99 I100 V101F93-E97 HydrophobicContact CD1-CG 4.36Å; F93-E97 HydrophobicContact CD2-CG 4.08Å; F93-E97 HydrophobicContact CE1-CG 3.94Å; F93-E97 HydrophobicContact CE2-CG 3.61Å; F93-E97 WeakPolarHBondContact CE2-OE1 3.31Å; F93-E97 HydrophobicContact CG-CG 4.43Å; F93-E97 HydrophobicContact CZ-CG 3.54Å; F93-E97 WeakPolarHBondContact O-CG 3.41Å; F93-E97 PolarHBondContact O-N 3.3Å; E97-K99 VanDerWaalsContact C-N 3.31Å; E97-K99 PolarHBondContact O-N 3.07Å; E97-I100 PolarHBondContact O-N 3.17Å; E97-V101 WeakPolarHBondContact O-CG2 3.47Å; E97-V101 PolarHBondContact O-N 2.76Å
98Q97.3Very high96.8Very high120 Ų120101.1 Ų101.156%0.56148%0.483SS*.Hα-helixtrans-62.2-37.8177.7-172.3-178.312.600112.1L94 I95 E96 N102L94-Q98 VanDerWaalsContact O-CB 3.24Å; L94-Q98 WeakPolarHBondContact O-CB 3.49Å; L94-Q98 PolarHBondContact O-N 2.87Å; I95-Q98 PolarHBondContact O-N 3.03Å; E96-Q98 VanDerWaalsContact C-N 3.35Å; E96-Q98 PolarHBondContact O-N 3.06Å; Q98-N102 WeakPolarHBondContact O-CB 2.72Å; Q98-N102 PolarHBondContact O-N 2.88Å; Q98-N102 PolarHBondContact O-ND2 3.17Å
99K97.7Very high96.5Very high111 Ų111100.5 Ų100.548%0.48349%0.491SS..Hα-helixtrans-62.9-46175.5-76.1170.6-177.5174.70111.4I95 E96 E97 N102 E103I95-K99 HydrophobicContact CG2-CD 4.34Å; I95-K99 VanDerWaalsContact O-CG 3.27Å; I95-K99 WeakPolarHBondContact O-CG 3.36Å; I95-K99 PolarHBondContact O-N 3.16Å; E96-K99 WeakPolarHBondContact O-CB 3.47Å; E96-K99 PolarHBondContact O-N 2.88Å; E96-K99 VanDerWaalsContact O-N 3.15Å; E96-K99 IonicContact OE1-NZ 3.85Å; E96-K99 PolarHBondContact OE1-NZ 2.92Å; E96-K99 IonicContact OE2-NZ 3.86Å; E97-K99 VanDerWaalsContact C-N 3.31Å; E97-K99 PolarHBondContact O-N 3.07Å; K99-N102 PolarHBondContact O-N 3.42Å; K99-E103 PolarHBondContact O-N 3Å
100I97.1Very high96.1Very high88 Ų88102.7 Ų102.745%0.45150%0.497SS..Hα-helixtrans-61.1-48178.3-65.5166.6000110.2E96 E97 N102 E103 V104E96-I100 WeakPolarHBondContact O-CG1 3.49Å; E96-I100 PolarHBondContact O-N 3.36Å; E97-I100 PolarHBondContact O-N 3.17Å; I100-N102 VanDerWaalsContact C-N 3.32Å; I100-N102 PolarHBondContact O-N 2.84Å; I100-E103 PolarHBondContact O-N 3.48Å; I100-E103 VanDerWaalsContact O-N 3.14Å; I100-V104 HydrophobicContact CG2-CG2 4.46Å; I100-V104 WeakPolarHBondContact O-CG2 3.16Å; I100-V104 PolarHBondContact O-N 3.43Å
101V96.8Very high95.6Very high77 Ų77103.7 Ų103.747%0.46750%0.503SS..Hα-helixtrans-57.7-45.7177.3171.90000111.1E97 E103 V104 L105E97-V101 WeakPolarHBondContact O-CG2 3.47Å; E97-V101 PolarHBondContact O-N 2.76Å; V101-E103 VanDerWaalsContact C-N 3.32Å; V101-E103 PolarHBondContact O-N 3.25Å; V101-V104 PolarHBondContact O-N 3.25Å; V101-L105 HydrophobicContact CG1-CD1 3.92Å; V101-L105 HydrophobicContact CG1-CG 4.33Å; V101-L105 WeakPolarHBondContact O-CB 3.21Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.32Å; V101-L105 PolarHBondContact O-N 3.42Å
102N96.5Very high95Very high73 Ų73103 Ų10339%0.3951%0.505SS..Hα-helixtrans-62.3-37.5177.8-74.5-24.7000112.6Q98 K99 I100 K106Q98-N102 WeakPolarHBondContact O-CB 2.72Å; Q98-N102 PolarHBondContact O-N 2.88Å; Q98-N102 PolarHBondContact O-ND2 3.17Å; K99-N102 PolarHBondContact O-N 3.42Å; I100-N102 VanDerWaalsContact C-N 3.32Å; I100-N102 PolarHBondContact O-N 2.84Å; N102-K106 WeakPolarHBondContact O-CB 3.43Å; N102-K106 VanDerWaalsContact O-CG 3.24Å; N102-K106 WeakPolarHBondContact O-CG 3.46Å; N102-K106 PolarHBondContact O-N 3.46Å
103E96.4Very high94.2Very high103 Ų103104.5 Ų104.548%0.48152%0.518SS..Hα-helixtrans-67.8-44176.2-165.8-171.8147.800111.9K99 I100 V101 K106 K107K99-E103 PolarHBondContact O-N 3Å; I100-E103 PolarHBondContact O-N 3.48Å; I100-E103 VanDerWaalsContact O-N 3.14Å; V101-E103 VanDerWaalsContact C-N 3.32Å; V101-E103 PolarHBondContact O-N 3.25Å; E103-K106 PolarHBondContact O-N 3.16Å; E103-K107 WeakPolarHBondContact O-CG 3.44Å; E103-K107 PolarHBondContact O-N 3Å; E103-K107 WeakPolarHBondContact OE1-CE 3.49Å; E103-K107 IonicContact OE1-NZ 2.69Å; E103-K107 PolarHBondContact OE1-NZ 3.43Å
104V95.8Very high93.3Very high62 Ų62104.1 Ų104.138%0.37653%0.525SS..Hα-helixtrans-62.9-43.2176.8173.60000111.1I100 V101 K106 K107 R108I100-V104 HydrophobicContact CG2-CG2 4.46Å; I100-V104 WeakPolarHBondContact O-CG2 3.16Å; I100-V104 PolarHBondContact O-N 3.43Å; V101-V104 PolarHBondContact O-N 3.25Å; V104-K106 PolarHBondContact O-N 3.31Å; V104-K107 PolarHBondContact O-N 3.11Å; V104-R108 WeakPolarHBondContact O-CG 3.39Å; V104-R108 PolarHBondContact O-N 3.37Å
105L95.3Very high92.2Very high93 Ų93103.5 Ų103.549%0.48753%0.526SS..Hα-helixtrans-62.2-41.5175.9-71.2174.3000111.9V101 R108 S109V101-L105 HydrophobicContact CG1-CD1 3.92Å; V101-L105 HydrophobicContact CG1-CG 4.33Å; V101-L105 WeakPolarHBondContact O-CB 3.21Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.32Å; V101-L105 PolarHBondContact O-N 3.42Å; L105-R108 PolarHBondContact O-N 2.85Å; L105-S109 PolarHBondContact O-N 3.04Å; L105-S109 PolarHBondContact O-OG 3.23Å
106K94.7Very high90.5Very high141 Ų141105.6 Ų105.661%0.61354%0.543SS*.Hα-helixtrans-63.9-38.6173.9-74.9172.6-177.7-178.50112.7N102 E103 V104 S109 K110N102-K106 WeakPolarHBondContact O-CB 3.43Å; N102-K106 VanDerWaalsContact O-CG 3.24Å; N102-K106 WeakPolarHBondContact O-CG 3.46Å; N102-K106 PolarHBondContact O-N 3.46Å; E103-K106 PolarHBondContact O-N 3.16Å; V104-K106 PolarHBondContact O-N 3.31Å; K106-S109 PolarHBondContact O-OG 3.48Å; K106-K110 VanDerWaalsContact O-CG 3.32Å; K106-K110 WeakPolarHBondContact O-CG 3.09Å; K106-K110 PolarHBondContact O-N 2.9Å
107K93.9Very high88.9Confident122 Ų122111 Ų11153%0.5357%0.565SS.*Hα-helixtrans-65.6-44.4174.9-77.2171.3169.1165.70111E103 V104 K110 V111E103-K107 WeakPolarHBondContact O-CG 3.44Å; E103-K107 PolarHBondContact O-N 3Å; E103-K107 WeakPolarHBondContact OE1-CE 3.49Å; E103-K107 IonicContact OE1-NZ 2.69Å; E103-K107 PolarHBondContact OE1-NZ 3.43Å; V104-K107 PolarHBondContact O-N 3.11Å; K107-K110 PolarHBondContact O-N 2.93Å; K107-V111 WeakPolarHBondContact O-CG2 3.5Å; K107-V111 PolarHBondContact O-N 3Å; K107-V111 VanDerWaalsContact O-N 3.11Å
108R91.7Very high86.9Confident175 Ų175117.6 Ų117.666%0.6660%0.603SS**Hα-helixtrans-64.2-40.7177.1-73.3179.9176.1-175.4-0.9113.2V104 L105 V111 K112V104-R108 WeakPolarHBondContact O-CG 3.39Å; V104-R108 PolarHBondContact O-N 3.37Å; L105-R108 PolarHBondContact O-N 2.85Å; R108-V111 PolarHBondContact O-N 3.26Å; R108-K112 WeakPolarHBondContact O-CB 3.41Å; R108-K112 PolarHBondContact O-N 2.87Å
109S90.6Very high86.4Confident72 Ų72117.5 Ų117.550%0.50361%0.606SS.*Hα-helixtrans-66.6-37.6177.963.40000112.4L105 K106 K112 A113L105-S109 PolarHBondContact O-N 3.04Å; L105-S109 PolarHBondContact O-OG 3.23Å; K106-S109 PolarHBondContact O-OG 3.48Å; S109-K112 PolarHBondContact O-N 2.91Å; S109-A113 WeakPolarHBondContact O-CB 3Å; S109-A113 PolarHBondContact O-N 3.1Å
110K89.3Confident85.8Confident151 Ų151117.8 Ų117.866%0.65761%0.612SS**Hα-helixtrans-61.2-48.3172.2-73.7177.6179.7-170.80112K106 K107 K112 A113 T114K106-K110 VanDerWaalsContact O-CG 3.32Å; K106-K110 WeakPolarHBondContact O-CG 3.09Å; K106-K110 PolarHBondContact O-N 2.9Å; K107-K110 PolarHBondContact O-N 2.93Å; K110-K112 PolarHBondContact O-N 2.96Å; K110-A113 PolarHBondContact O-N 2.84Å; K110-T114 PolarHBondContact O-N 3.18Å; K110-T114 PolarHBondContact O-OG1 2.89Å
111V87.9Confident85.2Confident92 Ų92119.5 Ų119.556%0.55862%0.621SS**Hα-helixtrans-61-44.4177.9174.50000111.3K107 R108 A113 T114 T115K107-V111 WeakPolarHBondContact O-CG2 3.5Å; K107-V111 PolarHBondContact O-N 3Å; K107-V111 VanDerWaalsContact O-N 3.11Å; R108-V111 PolarHBondContact O-N 3.26Å; V111-A113 VanDerWaalsContact C-N 3.3Å; V111-A113 PolarHBondContact O-N 3.28Å; V111-T114 WeakPolarHBondContact CA-OG1 3.49Å; V111-T114 PolarHBondContact O-N 2.98Å; V111-T114 VanDerWaalsContact O-N 3.13Å; V111-T114 PolarHBondContact O-OG1 2.99Å; V111-T115 PolarHBondContact O-N 3.08Å; V111-T115 VanDerWaalsContact O-N 3.09Å; V111-T115 PolarHBondContact O-OG1 2.87Å
112K84.4Confident84.5Confident167 Ų167122 Ų12273%0.72663%0.63SS**Hα-helixtrans-65-29.6178.4-172.1176180178.70113.5R108 S109 K110 T114R108-K112 WeakPolarHBondContact O-CB 3.41Å; R108-K112 PolarHBondContact O-N 2.87Å; S109-K112 PolarHBondContact O-N 2.91Å; K110-K112 PolarHBondContact O-N 2.96Å; K112-T114 VanDerWaalsContact C-N 3.35Å
113A81.2Confident83.8Confident89 Ų89125.1 Ų125.174%0.73665%0.645SS**Hα-helixtrans-74.4-27.1174.800000112.4S109 K110 V111S109-A113 WeakPolarHBondContact O-CB 3Å; S109-A113 PolarHBondContact O-N 3.1Å; K110-A113 PolarHBondContact O-N 2.84Å; V111-A113 VanDerWaalsContact C-N 3.3Å; V111-A113 PolarHBondContact O-N 3.28Å
114T80.4Confident82.9Confident111 Ų111126.5 Ų126.568%0.68166%0.656SS**Hα-helixtrans-88.6-21.2179.451.60000114.3K110 V111 K112 P116K110-T114 PolarHBondContact O-N 3.18Å; K110-T114 PolarHBondContact O-OG1 2.89Å; V111-T114 WeakPolarHBondContact CA-OG1 3.49Å; V111-T114 PolarHBondContact O-N 2.98Å; V111-T114 VanDerWaalsContact O-N 3.13Å; V111-T114 PolarHBondContact O-OG1 2.99Å; K112-T114 VanDerWaalsContact C-N 3.35Å; T114-P116 WeakPolarHBondContact O-CD 2.78Å
115T74.6Confident82Confident86 Ų86131.1 Ų131.153%0.52868%0.676SS.*SBendtrans-75.4120.1174.811.20000110.4V111 K117V111-T115 PolarHBondContact O-N 3.08Å; V111-T115 VanDerWaalsContact O-N 3.09Å; V111-T115 PolarHBondContact O-OG1 2.87Å; T115-K117 PolarHBondContact O-N 2.9Å
116P63.8Low81Confident106 Ų106134.1 Ų134.169%0.68869%0.69SS**  trans-62.613217425.7-31.6000109.3T114 N118T114-P116 WeakPolarHBondContact O-CD 2.78Å; P116-N118 PolarHBondContact O-N 3.1Å; P116-N118 VanDerWaalsContact O-N 3.07Å
117K64.6Low79.9Confident209 Ų209133.5 Ų133.591%0.90970%0.697SS**  trans-69.599.2165.5-71.1177.9179.31770106.5T115T115-K117 PolarHBondContact O-N 2.9Å
118N56.1Low78.6Confident222 Ų222134.5 Ų134.5100%1.18771%0.712SS**  trans-68.40160.6-76.4-2.7000110P116P116-N118 PolarHBondContact O-N 3.1Å; P116-N118 VanDerWaalsContact O-N 3.07Å

Retrieved 118 of 118 residues in 730.5 ms (Link to these results)