A0A5K4F1D6_SCHMA Loading...

KH_dom_type_1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1D6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 382 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
1M35.5Very low35.7Very low246 Ų246155 Ų155100%1.21283%0.827SS**  090.30-150.1176.1-144.200106.9
2Y37.7Very low36.1Very low224 Ų224149.4 Ų149.488%0.87881%0.81SS**  trans-107.2132.8169-83.5-84.5000105.9A4Y2-A4 PolarHBondContact O-N 3.08Å
3P36.4Very low36.4Very low108 Ų108145 Ų14570%0.70179%0.79SS**  trans-65.7133.5-179.928.5-31.2000108.2I5P3-I5 VanDerWaalsContact C-N 3.28Å; P3-I5 PolarHBondContact O-N 3.02Å
4A35.9Very low37Very low106 Ų106142.2 Ų142.288%0.87677%0.774SS**  trans-65.295.1167.200000107.2Y2 A6Y2-A4 PolarHBondContact O-N 3.08Å; A4-A6 PolarHBondContact O-N 3.16Å
5I35.8Very low37.6Very low150 Ų150138.5 Ų138.577%0.76975%0.745SS**  trans-62.2108.1168.4-66.4168.3000105.5P3 A7P3-I5 VanDerWaalsContact C-N 3.28Å; P3-I5 PolarHBondContact O-N 3.02Å; I5-A7 PolarHBondContact O-N 3.07Å; I5-A7 VanDerWaalsContact O-N 3.14Å
6A36.1Very low38.2Very low86 Ų86132.8 Ų132.871%0.71172%0.717SS**PPolyproline II helixtrans-48.5122165.600000107.2A4A4-A6 PolarHBondContact O-N 3.16Å
7A34.1Very low38.8Very low87 Ų87131 Ų13172%0.71972%0.716SS**PPolyproline II helixtrans-53.3128.7175.900000107.3I5 E9I5-A7 PolarHBondContact O-N 3.07Å; I5-A7 VanDerWaalsContact O-N 3.14Å; A7-E9 PolarHBondContact O-N 3.22Å
8P33.5Very low39.1Very low105 Ų105132.7 Ų132.768%0.68272%0.718SS**PPolyproline II helixtrans-56.2133.9-179.823.7-31.2000107.2R10P8-R10 VanDerWaalsContact C-N 3.34Å; P8-R10 PolarHBondContact O-N 3.39Å
9E36.1Very low39.2Very low178 Ų178127.2 Ų127.283%0.83270%0.696SS**  trans-47.2108.4165.2-72.3-174.2161.500106.1A7 H11A7-E9 PolarHBondContact O-N 3.22Å; E9-H11 VanDerWaalsContact C-N 3.3Å; E9-H11 PolarHBondContact O-N 2.78Å
10R37.7Very low39.3Very low235 Ų235129.8 Ų129.889%0.88770%0.703SS**  trans-62.7106.8173.3-74.3-173.5179.3-161.2-0.1103.8P8 S12P8-R10 VanDerWaalsContact C-N 3.34Å; P8-R10 PolarHBondContact O-N 3.39Å; R10-S12 PolarHBondContact O-N 3.16Å
11H33.6Very low39.3Very low180 Ų180127.1 Ų127.183%0.83369%0.693SS**  trans-51.793.1157.1-85.6-3.8000106E9 V13E9-H11 VanDerWaalsContact C-N 3.3Å; E9-H11 PolarHBondContact O-N 2.78Å; H11-V13 PolarHBondContact O-N 3.18Å; H11-V13 VanDerWaalsContact O-N 3.1Å
12S41.3Very low39.4Very low88 Ų88123.4 Ų123.462%0.61567%0.672SS**  trans-61.9111.6160.149.10000103.9R10 D14R10-S12 PolarHBondContact O-N 3.16Å; S12-D14 PolarHBondContact O-N 3.05Å
13V40.1Very low40.1Very low92 Ų92115.3 Ų115.356%0.55866%0.656SS**  trans-49119.81641770000105.4H11 Y15H11-V13 PolarHBondContact O-N 3.18Å; H11-V13 VanDerWaalsContact O-N 3.1Å; V13-Y15 HydrophobicContact CB-CD2 4.06Å; V13-Y15 HydrophobicContact CB-CE2 3.67Å; V13-Y15 HydrophobicContact CG1-CD1 4.3Å; V13-Y15 HydrophobicContact CG1-CD2 4.17Å; V13-Y15 HydrophobicContact CG1-CE1 4.04Å; V13-Y15 HydrophobicContact CG1-CE2 3.93Å; V13-Y15 HydrophobicContact CG1-CG 4.36Å; V13-Y15 WeakPolarHBondContact O-CD2 3.49Å; V13-Y15 PolarHBondContact O-N 2.88Å
14D43.7Very low40.8Very low106 Ų106116.5 Ų116.557%0.56766%0.664SS**  trans-7473.9-174.2-148.60000107.6S12 V16 S17S12-D14 PolarHBondContact O-N 3.05Å; D14-V16 PolarHBondContact O-N 2.93Å; D14-S17 WeakPolarHBondContact O-CB 3.27Å; D14-S17 PolarHBondContact O-N 2.9Å; D14-S17 PolarHBondContact O-OG 2.95Å
15Y46.5Very low41.8Very low87 Ų87113.9 Ų113.934%0.34164%0.639SS.*G310 helixtrans-61.7-13.6-179.4-73.3-76.2000111.8V13 S17 Q18 N101V13-Y15 HydrophobicContact CB-CD2 4.06Å; V13-Y15 HydrophobicContact CB-CE2 3.67Å; V13-Y15 HydrophobicContact CG1-CD1 4.3Å; V13-Y15 HydrophobicContact CG1-CD2 4.17Å; V13-Y15 HydrophobicContact CG1-CE1 4.04Å; V13-Y15 HydrophobicContact CG1-CE2 3.93Å; V13-Y15 HydrophobicContact CG1-CG 4.36Å; V13-Y15 WeakPolarHBondContact O-CD2 3.49Å; V13-Y15 PolarHBondContact O-N 2.88Å; Y15-S17 PolarHBondContact O-N 2.73Å; Y15-Q18 PolarHBondContact O-N 3.13Å; Y15-N101 HydrophobicContact CE2-CB 4.29Å
16V46.6Very low43.3Very low47 Ų47107.9 Ų107.929%0.28561%0.609SS.*G310 helixtrans-61.9-24.7170.5-173.40000111.4D14 Q18 I99D14-V16 PolarHBondContact O-N 2.93Å; V16-Q18 PolarHBondContact O-N 2.85Å; V16-I99 HydrophobicContact CG2-CD1 3.83Å; V16-I99 HydrophobicContact CG2-CG2 4.48Å
17S49.2Very low45.2Very low102 Ų102109.8 Ų109.871%0.71360%0.603SS**G310 helixtrans-77.43.4177.179.40000114.5D14 Y15D14-S17 WeakPolarHBondContact O-CB 3.27Å; D14-S17 PolarHBondContact O-N 2.9Å; D14-S17 PolarHBondContact O-OG 2.95Å; Y15-S17 PolarHBondContact O-N 2.73Å
18Q44.5Very low47.6Very low161 Ų161110.3 Ų110.375%0.75259%0.591SS**G310 helixtrans-106.78.1175.8-72.2-168.7-10.900114.3Y15 V16Y15-Q18 PolarHBondContact O-N 3.13Å; V16-Q18 PolarHBondContact O-N 2.85Å
19G41.1Very low50Low28 Ų28106.6 Ų106.629%0.28957%0.571SS.*SBendtrans-137.5123.3165.600000109.1P21G19-P21 VanDerWaalsContact O-CD 3.27Å; G19-P21 WeakPolarHBondContact O-CD 3.25Å
20Q39.9Very low52.6Low179 Ų17999.8 Ų99.884%0.83654%0.543SS*.  trans-59.4120173.4-80.9-172.3-43.300108.7E22Q20-E22 PolarHBondContact O-N 2.59Å; Q20-E22 VanDerWaalsContact O-N 3.16Å
21P39.7Very low55.2Low75 Ų7592.6 Ų92.649%0.48753%0.534SS..  trans-74.2107.6171.529-28.7000107.8G19G19-P21 VanDerWaalsContact O-CD 3.27Å; G19-P21 WeakPolarHBondContact O-CD 3.25Å
22E38Very low58.1Low168 Ų16884.2 Ų84.279%0.78550%0.496SS*.  trans-80.9113.6163-68-149159.200108.7Q20Q20-E22 PolarHBondContact O-N 2.59Å; Q20-E22 VanDerWaalsContact O-N 3.16Å
23G51.7Low60.6Low53 Ų5384.1 Ų84.155%0.54649%0.491SS..SBendtrans107.4172.5-176.800000113.2S25G23-S25 PolarHBondContact O-N 3.49Å
24P51.5Low63.2Low133 Ų13383.2 Ų83.286%0.86449%0.487SS*.SBendtrans-55108.4179.924.7-32.6000108.1I26P24-I26 PolarHBondContact O-N 3.34Å
25S57.4Low65.5Low51 Ų5180 Ų8036%0.35748%0.48SS..  trans-62.6114.8-166.9530000109.2G23 Q27G23-S25 PolarHBondContact O-N 3.49Å; S25-Q27 PolarHBondContact O-N 2.84Å
26I66.1Low67.6Low24 Ų2479.3 Ų79.312%0.12348%0.479CS..  trans-68102.4172.9-75.3163.7000107.2P24 V32 I37 V38 V97P24-I26 PolarHBondContact O-N 3.34Å; I26-V32 HydrophobicContact CD1-CG1 4.24Å; I26-I37 WeakPolarHBondContact CD1-O 3.45Å; I26-V38 HydrophobicContact CB-CG1 4.03Å; I26-V38 HydrophobicContact CD1-CB 4.31Å; I26-V38 HydrophobicContact CD1-CG1 4.11Å; I26-V38 HydrophobicContact CG2-CG1 3.53Å; I26-V97 HydrophobicContact CG2-CB 3.97Å; I26-V97 HydrophobicContact CG2-CG1 4.09Å; I26-V97 HydrophobicContact CG2-CG2 3.83Å
27Q76.3Confident69.6Low126 Ų12681 Ų8159%0.58949%0.486SS*.  trans-85.1164.8177.9-67.4178.19.800110.8S25 G29 S30S25-Q27 PolarHBondContact O-N 2.84Å; Q27-G29 PolarHBondContact O-N 2.85Å; Q27-G29 VanDerWaalsContact O-N 3.13Å; Q27-S30 PolarHBondContact N-OG 2.89Å; Q27-S30 WeakPolarHBondContact O-CB 3.3Å; Q27-S30 PolarHBondContact O-N 2.92Å; Q27-S30 PolarHBondContact O-OG 2.79Å
28Q84.3Confident71.3Confident99 Ų9976.7 Ų76.746%0.46346%0.455SS..THydrogen-bonded Turntrans-47.6119.7169.4-179.470.3-6.800110.6
29G85.1Confident73.2Confident27 Ų2770.2 Ų70.228%0.27843%0.425SS..THydrogen-bonded Turntrans90.7-0.4178.700000115.9Q27 V97Q27-G29 PolarHBondContact O-N 2.85Å; Q27-G29 VanDerWaalsContact O-N 3.13Å; G29-V97 WeakPolarHBondContact CA-O 3.36Å; G29-V97 PolarHBondContact N-O 3.26Å
30S90.4Very high75Confident34 Ų3471.4 Ų71.424%0.23843%0.429CS..  trans-59.4137.7175.1-54.50000110.9Q27 R96 V97Q27-S30 PolarHBondContact N-OG 2.89Å; Q27-S30 WeakPolarHBondContact O-CB 3.3Å; Q27-S30 PolarHBondContact O-N 2.92Å; Q27-S30 PolarHBondContact O-OG 2.79Å; S30-R96 CarbonylContact O-C 3.54Å; S30-R96 WeakPolarHBondContact O-CA 2.84Å; S30-V97 PolarHBondContact O-N 3.07Å
31A92.8Very high76.4Confident85 Ų8566.5 Ų66.570%0.70241%0.414SS*.EExtended strand (participates in β ladder)trans-78.9133.6175.100000109.7G95A31-G95 CarbonylContact C-O 3.58Å; A31-G95 WeakPolarHBondContact CA-O 3.35Å
32V93Very high78Confident3 Ų364.3 Ų64.32%0.01840%0.399CS..EExtended strand (participates in β ladder)trans-132.6156.4-178-68.80000111.2I26 E36 T91 T94 G95 V97 V106I26-V32 HydrophobicContact CD1-CG1 4.24Å; V32-E36 VanDerWaalsContact CA-OE2 3.27Å; V32-E36 WeakPolarHBondContact CA-OE2 3.3Å; V32-E36 WeakPolarHBondContact CB-OE2 3.3Å; V32-T91 HydrophobicContact CB-CG2 3.87Å; V32-T91 HydrophobicContact CG1-CG2 4.29Å; V32-T91 HydrophobicContact CG2-CG2 3.73Å; V32-T94 VanDerWaalsContact O-CA 3.3Å; V32-T94 WeakPolarHBondContact O-CA 3.27Å; V32-G95 WeakPolarHBondContact CG2-O 3.36Å; V32-G95 PolarHBondContact N-O 2.87Å; V32-G95 PolarHBondContact O-N 2.87Å; V32-G95 VanDerWaalsContact O-N 3.13Å; V32-V97 HydrophobicContact CB-CG2 4.18Å; V32-V97 HydrophobicContact CG1-CG2 3.46Å; V32-V97 VanDerWaalsContact CG1-CG2 3.46Å; V32-V97 HydrophobicContact CG2-CG2 3.62Å; V32-V106 HydrophobicContact CG2-CG1 3.94Å; V32-V106 HydrophobicContact CG2-CG2 4Å
33V94.6Very high79.6Confident87 Ų8759.4 Ų59.453%0.52739%0.388SS..  trans-117.6156.5174.1-640000110.7G35 E36 T91 T94V33-G35 PolarHBondContact O-N 3.01Å; V33-E36 HydrophobicContact CG2-CB 4.48Å; V33-E36 PolarHBondContact N-OE2 3.26Å; V33-E36 VanDerWaalsContact O-CB 3.25Å; V33-E36 WeakPolarHBondContact O-CB 3.27Å; V33-E36 PolarHBondContact O-N 3.39Å; V33-T91 PolarHBondContact O-OG1 3.37Å; V33-T94 HydrophobicContact CG1-CG2 4.44Å
34P94.8Very high81.2Confident72 Ų7259.9 Ų59.947%0.46838%0.382SS..THydrogen-bonded Turntrans-55.4137.4178.9-25.433.6000113.2T94P34-T94 VanDerWaalsContact CD-OG1 3.3Å; P34-T94 WeakPolarHBondContact CD-OG1 3.41Å
35G91.3Very high82.8Confident40 Ų4054.4 Ų54.441%0.41235%0.346SS..THydrogen-bonded Turntrans93.8-17.2179.700000114.4V33 H90 T91V33-G35 PolarHBondContact O-N 3.01Å; G35-H90 PolarHBondContact O-ND1 3.43Å; G35-T91 PolarHBondContact N-O 3.27Å; G35-T91 PolarHBondContact N-OG1 2.77Å
36E91.1Very high84.3Confident72 Ų7256.7 Ų56.734%0.33635%0.353SS..  trans-65.1140.6179.9-168.4173.2179.200111.7V32 V33 H90 T91V32-E36 VanDerWaalsContact CA-OE2 3.27Å; V32-E36 WeakPolarHBondContact CA-OE2 3.3Å; V32-E36 WeakPolarHBondContact CB-OE2 3.3Å; V33-E36 HydrophobicContact CG2-CB 4.48Å; V33-E36 PolarHBondContact N-OE2 3.26Å; V33-E36 VanDerWaalsContact O-CB 3.25Å; V33-E36 WeakPolarHBondContact O-CB 3.27Å; V33-E36 PolarHBondContact O-N 3.39Å; E36-H90 CarbonylContact O-C 3.47Å; E36-H90 VanDerWaalsContact O-CA 3.26Å; E36-H90 WeakPolarHBondContact O-CA 3.47Å; E36-T91 PolarHBondContact N-OG1 2.76Å; E36-T91 PolarHBondContact O-N 3.11Å; E36-T91 PolarHBondContact O-OG1 2.94Å
37I89Confident85.5Confident81 Ų8158.1 Ų58.142%0.41536%0.363SS..EExtended strand (participates in β ladder)trans-86.1119.8177.4-62.7168.8000108.4I26 N88 H90I26-I37 WeakPolarHBondContact CD1-O 3.45Å; I37-N88 HydrophobicContact CG2-CB 4.17Å; I37-H90 WeakPolarHBondContact CG1-CE1 3.36Å
38V85.1Confident86.3Confident12 Ų1253 Ų537%0.07334%0.343CS..EExtended strand (participates in β ladder)trans-88.8-43178.8-165.50000111.8I26 I89 T91 V97 V104I26-V38 HydrophobicContact CB-CG1 4.03Å; I26-V38 HydrophobicContact CD1-CB 4.31Å; I26-V38 HydrophobicContact CD1-CG1 4.11Å; I26-V38 HydrophobicContact CG2-CG1 3.53Å; V38-I89 PolarHBondContact N-O 3.42Å; V38-T91 HydrophobicContact CG2-CG2 3.16Å; V38-V97 HydrophobicContact CG1-CG1 3.96Å; V38-V97 HydrophobicContact CG1-CG2 4.1Å; V38-V97 HydrophobicContact CG2-CG2 4.45Å; V38-V104 HydrophobicContact CG1-CG1 4.46Å
39F83.7Confident86.7Confident26 Ų2654.5 Ų54.511%0.11435%0.35CS..EExtended strand (participates in β ladder)trans-142.9127.9-177.7-68-76.7000109.7L45 I89 I99 V104F39-L45 HydrophobicContact CB-CD1 4.03Å; F39-L45 HydrophobicContact CD1-CD1 3.85Å; F39-L45 HydrophobicContact CD2-CD1 3.77Å; F39-L45 HydrophobicContact CE1-CD1 4.27Å; F39-L45 HydrophobicContact CE2-CD1 4.2Å; F39-L45 HydrophobicContact CG-CD1 3.59Å; F39-L45 HydrophobicContact CZ-CD1 4.45Å; F39-I89 HydrophobicContact CB-CB 4.35Å; F39-I89 HydrophobicContact CB-CD1 4.22Å; F39-I89 HydrophobicContact CB-CG1 4.45Å; F39-I89 HydrophobicContact CD2-CD1 4.49Å; F39-I89 PolarHBondContact O-N 3.09Å; F39-I99 HydrophobicContact CE2-CD1 4.14Å; F39-I99 HydrophobicContact CZ-CD1 3.65Å; F39-I99 HydrophobicContact CZ-CG1 4.48Å; F39-V104 HydrophobicContact CD2-CG1 4.17Å; F39-V104 HydrophobicContact CD2-CG2 4.09Å; F39-V104 HydrophobicContact CE2-CG1 3.85Å; F39-V104 HydrophobicContact CE2-CG2 3.82Å
40S80.1Confident87.1Confident53 Ų5353.7 Ų53.737%0.37134%0.341SS..SBendtrans-87127.9173.747.80000110.7V42 N88S40-V42 WeakPolarHBondContact O-CG2 3.2Å; S40-V42 PolarHBondContact O-N 3.13Å; S40-N88 VanDerWaalsContact CA-OD1 3.3Å; S40-N88 WeakPolarHBondContact CA-OD1 3.47Å
41S69.4Low87.2Confident75 Ų7552.8 Ų52.852%0.52434%0.335SS..SBendtrans4331.3168.8-61.80000119.4A43 A86 N88S41-A43 PolarHBondContact O-N 2.91Å; S41-A86 VanDerWaalsContact CA-O 3.26Å; S41-A86 WeakPolarHBondContact CA-O 3.48Å; S41-A86 WeakPolarHBondContact CB-O 3.38Å; S41-A86 PolarHBondContact OG-O 2.98Å; S41-N88 PolarHBondContact N-OD1 3.23Å; S41-N88 VanDerWaalsContact N-OD1 3.16Å
42V72.4Confident87.2Confident30 Ų3053.7 Ų53.718%0.18232%0.321CS..  trans-89102.5172.5-170.10000110.1S40 S44 L45 R53S40-V42 WeakPolarHBondContact O-CG2 3.2Å; S40-V42 PolarHBondContact O-N 3.13Å; V42-S44 VanDerWaalsContact C-N 3.26Å; V42-S44 WeakPolarHBondContact CG1-OG 3.42Å; V42-S44 PolarHBondContact O-N 3.32Å; V42-L45 HydrophobicContact CB-CD1 3.91Å; V42-L45 HydrophobicContact CB-CG 4.15Å; V42-L45 HydrophobicContact CG1-CB 4.5Å; V42-L45 HydrophobicContact CG1-CD1 3.95Å; V42-L45 HydrophobicContact CG1-CG 3.74Å; V42-L45 HydrophobicContact CG2-CD1 4.4Å; V42-R53 PolarHBondContact O-NH1 2.83Å; V42-R53 PolarHBondContact O-NH2 3.24Å
43A72.4Confident87.1Confident65 Ų6555.4 Ų55.454%0.53733%0.327SS..THydrogen-bonded Turntrans-66.5-25.6178.200000113.4S41 L45 A86S41-A43 PolarHBondContact O-N 2.91Å; A43-L45 VanDerWaalsContact C-N 3.3Å; A43-L45 PolarHBondContact O-N 2.92Å; A43-A86 HydrophobicContact CB-CB 3.93Å
44S83.7Confident86.5Confident63 Ų6353.4 Ų53.444%0.44132%0.317SS..THydrogen-bonded Turntrans-76.7-14.6-175.365.30000114.1V42 K102V42-S44 VanDerWaalsContact C-N 3.26Å; V42-S44 WeakPolarHBondContact CG1-OG 3.42Å; V42-S44 PolarHBondContact O-N 3.32Å; S44-K102 WeakPolarHBondContact O-CD 3.26Å
45L86.3Confident85.3Confident18 Ų1855.7 Ų55.79%0.09433%0.329CS..  trans-86.4147.7-179.9-64.9176.3000111.6F39 V42 A43 R53 I89 K102 V104F39-L45 HydrophobicContact CB-CD1 4.03Å; F39-L45 HydrophobicContact CD1-CD1 3.85Å; F39-L45 HydrophobicContact CD2-CD1 3.77Å; F39-L45 HydrophobicContact CE1-CD1 4.27Å; F39-L45 HydrophobicContact CE2-CD1 4.2Å; F39-L45 HydrophobicContact CG-CD1 3.59Å; F39-L45 HydrophobicContact CZ-CD1 4.45Å; V42-L45 HydrophobicContact CB-CD1 3.91Å; V42-L45 HydrophobicContact CB-CG 4.15Å; V42-L45 HydrophobicContact CG1-CB 4.5Å; V42-L45 HydrophobicContact CG1-CD1 3.95Å; V42-L45 HydrophobicContact CG1-CG 3.74Å; V42-L45 HydrophobicContact CG2-CD1 4.4Å; A43-L45 VanDerWaalsContact C-N 3.3Å; A43-L45 PolarHBondContact O-N 2.92Å; L45-R53 PolarHBondContact O-NH2 3.18Å; L45-I89 HydrophobicContact CB-CD1 3.88Å; L45-I89 HydrophobicContact CD1-CD1 4.29Å; L45-K102 CarbonylContact C-O 3.59Å; L45-K102 WeakPolarHBondContact CA-O 3.27Å; L45-V104 HydrophobicContact CB-CG2 4.28Å; L45-V104 HydrophobicContact CD1-CG2 4.05Å; L45-V104 HydrophobicContact CD2-CG2 4.15Å; L45-V104 HydrophobicContact CG-CG2 4.39Å
46I89.1Confident83.8Confident99 Ų9958.7 Ų58.751%0.50834%0.336SS..EExtended strand (participates in β ladder)trans-110.5128.8178.9-58.8172.1000107.6K102 L103 V104I46-K102 HydrophobicContact CD1-CB 4.47Å; I46-K102 HydrophobicContact CG1-CB 4.49Å; I46-K102 PolarHBondContact N-O 3.02Å; I46-L103 HydrophobicContact CB-CD1 4.33Å; I46-L103 HydrophobicContact CG2-CD1 3.99Å; I46-L103 WeakPolarHBondContact O-CA 3.32Å; I46-V104 PolarHBondContact O-N 2.8Å
47T91.2Very high81.9Confident54 Ų5459.6 Ų59.633%0.33136%0.356SS..EExtended strand (participates in β ladder)trans-76.4126.1174.648.90000110.8T51 R53 I89T47-T51 WeakPolarHBondContact CA-OG1 3.26Å; T47-T51 WeakPolarHBondContact CB-OG1 3.35Å; T47-R53 HydrophobicContact CG2-CG 3.75Å; T47-I89 HydrophobicContact CG2-CD1 4.25Å; T47-I89 HydrophobicContact CG2-CG1 4.17Å; T47-I89 HydrophobicContact CG2-CG2 4.01Å
48G92.7Very high79.9Confident17 Ų1760.5 Ų60.518%0.17537%0.369CS..  trans-105.3-166.5169.300000112G50 T51 V104G48-G50 PolarHBondContact O-N 3.21Å; G48-T51 PolarHBondContact N-OG1 3.4Å; G48-T51 PolarHBondContact O-N 2.91Å; G48-T51 PolarHBondContact O-OG1 3.18Å; G48-V104 WeakPolarHBondContact CA-O 3.25Å; G48-V104 PolarHBondContact N-O 3.02Å
49H92.2Very high77.9Confident132 Ų13264.3 Ų64.361%0.61140%0.396SS*.THydrogen-bonded Turntrans-55.4139179.9-64.891.6000112.2T51 Y105 V106H49-T51 PolarHBondContact O-N 2.83Å; H49-Y105 CarbonylContact O-C 3.59Å; H49-Y105 WeakPolarHBondContact O-CA 3.49Å; H49-Y105 VanDerWaalsContact O-CB 3.28Å; H49-Y105 WeakPolarHBondContact O-CB 3.49Å; H49-V106 PolarHBondContact O-N 2.8Å
50G93Very high75.6Confident9 Ų968.3 Ų68.39%0.09342%0.423CS..THydrogen-bonded Turntrans77.16.7-179.200000115G48 T91 S92 V106G48-G50 PolarHBondContact O-N 3.21Å; G50-T91 CarbonylContact O-C 3.57Å; G50-T91 WeakPolarHBondContact O-CA 3.34Å; G50-S92 VanDerWaalsContact C-OG 3.22Å; G50-S92 VanDerWaalsContact CA-OG 3.27Å; G50-S92 WeakPolarHBondContact CA-OG 3.37Å; G50-S92 PolarHBondContact O-N 3.3Å; G50-S92 PolarHBondContact O-OG 3.23Å; G50-V106 WeakPolarHBondContact O-CG2 3.36Å
51T93.8Very high73.4Confident15 Ų1573.2 Ų73.29%0.09245%0.445CS..EExtended strand (participates in β ladder)trans-129.1152.1173.165.30000111.2T47 G48 H49 I89 H90 V104 V106T47-T51 WeakPolarHBondContact CA-OG1 3.26Å; T47-T51 WeakPolarHBondContact CB-OG1 3.35Å; G48-T51 PolarHBondContact N-OG1 3.4Å; G48-T51 PolarHBondContact O-N 2.91Å; G48-T51 PolarHBondContact O-OG1 3.18Å; H49-T51 PolarHBondContact O-N 2.83Å; T51-I89 HydrophobicContact CG2-CG2 4.23Å; T51-H90 CarbonylContact C-O 3.6Å; T51-H90 WeakPolarHBondContact CA-O 3.23Å; T51-V104 HydrophobicContact CG2-CG1 4.24Å; T51-V104 PolarHBondContact OG1-O 3.35Å; T51-V106 HydrophobicContact CG2-CG2 3.95Å
52Y92.8Very high71.9Confident104 Ų10478.1 Ų78.141%0.40846%0.463SS..EExtended strand (participates in β ladder)trans-146.9158.5173.768.2-83.2000110.4I89 H90 T91Y52-I89 WeakPolarHBondContact O-CA 3.32Å; Y52-H90 HydrophobicContact CD1-CB 4.02Å; Y52-H90 HydrophobicContact CD2-CB 4.29Å; Y52-H90 HydrophobicContact CE1-CB 3.53Å; Y52-H90 HydrophobicContact CE2-CB 3.81Å; Y52-H90 HydrophobicContact CG-CB 4.39Å; Y52-H90 VanDerWaalsContact CZ-CB 3.4Å; Y52-H90 PolarHBondContact N-O 3.27Å; Y52-H90 PolarHBondContact O-N 3.23Å; Y52-T91 WeakPolarHBondContact CE1-O 3.22Å
53R90.2Very high70.2Confident39 Ų3979.6 Ų79.615%0.14749%0.485CS..EExtended strand (participates in β ladder)trans-98.9137.4171.2-67.2-176.9-179.4-86.17.5109.5V42 L45 T47 V55 G87 N88 I89V42-R53 PolarHBondContact O-NH1 2.83Å; V42-R53 PolarHBondContact O-NH2 3.24Å; L45-R53 PolarHBondContact O-NH2 3.18Å; T47-R53 HydrophobicContact CG2-CG 3.75Å; R53-V55 PolarHBondContact O-N 3.49Å; R53-G87 PolarHBondContact NH1-O 3.49Å; R53-N88 WeakPolarHBondContact CA-O 3.33Å; R53-I89 HydrophobicContact CG-CG1 4.22Å; R53-I89 VanDerWaalsContact NH1-CG1 3.31Å
54S82Confident68.4Low46 Ų4685.4 Ų85.432%0.32250%0.501SS..  trans-66.1128.2165.9-173.10000108.2N88S54-N88 PolarHBondContact N-O 3.27Å
55V70.6Confident66.1Low119 Ų11989.4 Ų89.472%0.72152%0.517SS*.  trans-95.7108.9165.5-177.30000105.3R53 A57R53-V55 PolarHBondContact O-N 3.49Å; V55-A57 PolarHBondContact O-N 2.78Å
56D59.7Low64Low104 Ų10495.6 Ų95.656%0.55655%0.55SS*.  trans-65.6110.7174.8-68.9-23.2000108S58D56-S58 PolarHBondContact O-N 2.68Å
57A51.5Low61.3Low91 Ų9196.2 Ų96.275%0.75256%0.562SS**G310 helixtrans-6916.1-177.700000113.9V55V55-A57 PolarHBondContact O-N 2.78Å
58S45.4Very low59Low99 Ų9999.1 Ų99.169%0.69259%0.585SS**G310 helixtrans-89.55-173.855.60000115.1D56D56-S58 PolarHBondContact O-N 2.68Å
59S43Very low56.2Low92 Ų92103.1 Ų103.164%0.64362%0.617SS**G310 helixtrans-10012.9178.767.50000115.5
60T36Very low53.8Low110 Ų110103.3 Ų103.368%0.67563%0.627SS**  trans-123.956.317448.80000112
61N34.2Very low51.3Low157 Ų157109.5 Ų109.584%0.8466%0.658SS**  trans-100.785.7156.5-82.2-17.5000108G63N61-G63 PolarHBondContact O-N 2.92Å; N61-G63 VanDerWaalsContact O-N 3.08Å
62I38Very low48.5Very low177 Ų177114.6 Ų114.691%0.90869%0.691SS**  trans-76.585.1160.1-59.6172.9000105
63G36.4Very low45.8Very low61 Ų61117 Ų11763%0.62971%0.711SS**  trans-128.9109.1176.800000108.5N61N61-G63 PolarHBondContact O-N 2.92Å; N61-G63 VanDerWaalsContact O-N 3.08Å
64E35.5Very low43.4Very low188 Ų188122.1 Ų122.188%0.87975%0.747SS**  trans-8.5116.6156.3-61.2170.5148.700115.1
65D34.7Very low41.1Very low147 Ų147128.6 Ų128.679%0.78678%0.777SS**  167143.9119.4-100.1-25000114.9
66L42.2Very low39.2Very low148 Ų148127.5 Ų127.578%0.77578%0.78SS**  trans87.192.4151.8-64.7148.1000120.5
67S33.1Very low37.8Very low111 Ų111127.7 Ų127.778%0.77679%0.79SS**  trans-17.5119.2141.855.70000117.7
68S42Very low36.9Very low116 Ų116129 Ų12981%0.81179%0.788SS**  trans-167.113013752.70000110.8
69A33.8Very low36Very low101 Ų101132.2 Ų132.284%0.83580%0.797SS**  trans-57.7129-173.800000114.8
70V41.9Very low35.3Very low135 Ų135131.3 Ų131.382%0.81880%0.803SS**  trans-145113.5155.7-1740000110.7
71N41.5Very low35.2Very low140 Ų140133.6 Ų133.675%0.74981%0.811SS**  trans1.8130.7165.8-58-25.2000121.7
72P33.7Very low35.5Very low121 Ų121131.9 Ų131.979%0.78681%0.808SS**SBendtrans-96.985.2171.936.7-25.5000110.5
73D35.4Very low35.6Very low156 Ų156126.4 Ų126.483%0.83480%0.796SS**  trans-157.537.5176.4-102.5-21.2000115.1
74T40.3Very low36.5Very low146 Ų146129.9 Ų129.990%0.89680%0.799SS**  trans-133.267.2170.134.40000112.1
75L33.3Very low37.4Very low181 Ų181127.2 Ų127.295%0.94879%0.786SS**  trans-94.392162.2-116151.9000108.1
76A31.1Very low38.9Very low97 Ų97122.2 Ų122.280%0.80277%0.765SS**  trans-168.8135.4157.100000112.2
77S30.4Very low40.7Very low108 Ų108115.8 Ų115.876%0.75573%0.734SS**  trans99.498.2147.8160.10000119.8
78V33.8Very low43.3Very low119 Ų119112.9 Ų112.972%0.72171%0.71SS**  99.590.5129.8-174.90000118.3
79N26.1Very low45.6Very low165 Ų165107.4 Ų107.488%0.88267%0.672SS**  27.9103.6129.9-59.2-20.9000118.4
80G28.4Very low48.3Very low73 Ų73104 Ų10475%0.75364%0.639SS**  trans-165.3125.915900000109.1
81D33Very low50.8Low158 Ų15897.6 Ų97.685%0.84560%0.6SS**  trans-41.4146.4174.3-103.6-31.2000111.5G83D81-G83 PolarHBondContact O-N 3.4Å
82P40.6Very low53.3Low121 Ų12193.6 Ų93.679%0.78658%0.583SS**  trans-53.5107.3177.124.2-32.1000108.7I84P82-I84 PolarHBondContact O-N 3.42Å
83G41.3Very low56.2Low63 Ų6391.2 Ų91.265%0.64956%0.563SS**  trans-58125.1-167.300000110.7D81 Q85D81-G83 PolarHBondContact O-N 3.4Å; G83-Q85 PolarHBondContact O-N 2.86Å
84I55.2Low59Low134 Ų13487.6 Ų87.669%0.68755%0.547SS*.  trans-52.9104.3164.5-60171.9000106P82 A86P82-I84 PolarHBondContact O-N 3.42Å; I84-A86 PolarHBondContact O-N 3.26Å
85Q54.2Low61.5Low132 Ų13281 Ų8162%0.61751%0.508SS*.  trans-53.2130.8178.1-71.5-179.8-8.900108.2G83 G87G83-Q85 PolarHBondContact O-N 2.86Å; Q85-G87 PolarHBondContact O-N 2.79Å
86A64.7Low64.3Low41 Ų4179.7 Ų79.734%0.33949%0.491SS..  trans-73.258.9-174.400000111.7S41 A43 I84S41-A86 VanDerWaalsContact CA-O 3.26Å; S41-A86 WeakPolarHBondContact CA-O 3.48Å; S41-A86 WeakPolarHBondContact CB-O 3.38Å; S41-A86 PolarHBondContact OG-O 2.98Å; A43-A86 HydrophobicContact CB-CB 3.93Å; I84-A86 PolarHBondContact O-N 3.26Å
87G80.3Confident67.3Low13 Ų1375 Ų7513%0.13445%0.452CS..PPolyproline II helixtrans-71.9157.5172.900000111.5R53 Q85R53-G87 PolarHBondContact NH1-O 3.49Å; Q85-G87 PolarHBondContact O-N 2.79Å
88N87.8Confident70.2Confident51 Ų5173.5 Ų73.527%0.27343%0.43SS..PPolyproline II helixtrans-60.7141177.3-66.5-15.3000111I37 S40 S41 R53 S54 H90I37-N88 HydrophobicContact CG2-CB 4.17Å; S40-N88 VanDerWaalsContact CA-OD1 3.3Å; S40-N88 WeakPolarHBondContact CA-OD1 3.47Å; S41-N88 PolarHBondContact N-OD1 3.23Å; S41-N88 VanDerWaalsContact N-OD1 3.16Å; R53-N88 WeakPolarHBondContact CA-O 3.33Å; S54-N88 PolarHBondContact N-O 3.27Å; N88-H90 PolarHBondContact O-CD2 2.9Å
89I90Very high72.9Confident0 Ų068.9 Ų68.90%040%0.401CS..EExtended strand (participates in β ladder)trans-87.8117.2172.9-57.6-179.3000108.1V38 F39 L45 T47 T51 Y52 R53V38-I89 PolarHBondContact N-O 3.42Å; F39-I89 HydrophobicContact CB-CB 4.35Å; F39-I89 HydrophobicContact CB-CD1 4.22Å; F39-I89 HydrophobicContact CB-CG1 4.45Å; F39-I89 HydrophobicContact CD2-CD1 4.49Å; F39-I89 PolarHBondContact O-N 3.09Å; L45-I89 HydrophobicContact CB-CD1 3.88Å; L45-I89 HydrophobicContact CD1-CD1 4.29Å; T47-I89 HydrophobicContact CG2-CD1 4.25Å; T47-I89 HydrophobicContact CG2-CG1 4.17Å; T47-I89 HydrophobicContact CG2-CG2 4.01Å; T51-I89 HydrophobicContact CG2-CG2 4.23Å; Y52-I89 WeakPolarHBondContact O-CA 3.32Å; R53-I89 HydrophobicContact CG-CG1 4.22Å; R53-I89 VanDerWaalsContact NH1-CG1 3.31Å
90H92.1Very high76Confident30 Ų3064.5 Ų64.514%0.13938%0.38CS..EExtended strand (participates in β ladder)trans-102.5156.3174-64.3-100.4000111G35 E36 I37 T51 Y52 N88G35-H90 PolarHBondContact O-ND1 3.43Å; E36-H90 CarbonylContact O-C 3.47Å; E36-H90 VanDerWaalsContact O-CA 3.26Å; E36-H90 WeakPolarHBondContact O-CA 3.47Å; I37-H90 WeakPolarHBondContact CG1-CE1 3.36Å; T51-H90 CarbonylContact C-O 3.6Å; T51-H90 WeakPolarHBondContact CA-O 3.23Å; Y52-H90 HydrophobicContact CD1-CB 4.02Å; Y52-H90 HydrophobicContact CD2-CB 4.29Å; Y52-H90 HydrophobicContact CE1-CB 3.53Å; Y52-H90 HydrophobicContact CE2-CB 3.81Å; Y52-H90 HydrophobicContact CG-CB 4.39Å; Y52-H90 VanDerWaalsContact CZ-CB 3.4Å; Y52-H90 PolarHBondContact N-O 3.27Å; Y52-H90 PolarHBondContact O-N 3.23Å; N88-H90 PolarHBondContact O-CD2 2.9Å
91T93.4Very high78.9Confident0 Ų066 Ų660%037%0.371CS..EExtended strand (participates in β ladder)trans-89.3142.4171.255.60000110.9V32 V33 G35 E36 V38 G50 Y52 V106V32-T91 HydrophobicContact CB-CG2 3.87Å; V32-T91 HydrophobicContact CG1-CG2 4.29Å; V32-T91 HydrophobicContact CG2-CG2 3.73Å; V33-T91 PolarHBondContact O-OG1 3.37Å; G35-T91 PolarHBondContact N-O 3.27Å; G35-T91 PolarHBondContact N-OG1 2.77Å; E36-T91 PolarHBondContact N-OG1 2.76Å; E36-T91 PolarHBondContact O-N 3.11Å; E36-T91 PolarHBondContact O-OG1 2.94Å; V38-T91 HydrophobicContact CG2-CG2 3.16Å; G50-T91 CarbonylContact O-C 3.57Å; G50-T91 WeakPolarHBondContact O-CA 3.34Å; Y52-T91 WeakPolarHBondContact CE1-O 3.22Å; T91-V106 HydrophobicContact CG2-CG2 4.02Å
92S94.2Very high81.6Confident56 Ų5663.1 Ų63.139%0.39235%0.351SS..  trans-108.5-10.3170.557.70000113.3G50G50-S92 VanDerWaalsContact C-OG 3.22Å; G50-S92 VanDerWaalsContact CA-OG 3.27Å; G50-S92 WeakPolarHBondContact CA-OG 3.37Å; G50-S92 PolarHBondContact O-N 3.3Å; G50-S92 PolarHBondContact O-OG 3.23Å
93L93.7Very high84Confident72 Ų7260.5 Ų60.538%0.37733%0.33SS..SBendtrans-127.8151.4-175.8-63.4177.1000111.3V106L93-V106 HydrophobicContact CB-CG1 4.22Å
94T94.6Very high86.4Confident79 Ų7957.5 Ų57.549%0.48530%0.299SS..SBendtrans-79.1128.1165.1-50.40000109.4V32 V33 P34 P108 P109V32-T94 VanDerWaalsContact O-CA 3.3Å; V32-T94 WeakPolarHBondContact O-CA 3.27Å; V33-T94 HydrophobicContact CG1-CG2 4.44Å; P34-T94 VanDerWaalsContact CD-OG1 3.3Å; P34-T94 WeakPolarHBondContact CD-OG1 3.41Å; T94-P108 WeakPolarHBondContact O-CA 3.28Å; T94-P109 WeakPolarHBondContact O-CD 3.4Å
95G93.2Very high88.2Confident9 Ų954.5 Ų54.59%0.09328%0.279CS..EExtended strand (participates in β ladder)trans171.5-162.8-179.600000113.4A31 V32 E107A31-G95 CarbonylContact C-O 3.58Å; A31-G95 WeakPolarHBondContact CA-O 3.35Å; V32-G95 WeakPolarHBondContact CG2-O 3.36Å; V32-G95 PolarHBondContact N-O 2.87Å; V32-G95 PolarHBondContact O-N 2.87Å; V32-G95 VanDerWaalsContact O-N 3.13Å; G95-E107 CarbonylContact C-O 3.59Å; G95-E107 VanDerWaalsContact CA-O 3.23Å; G95-E107 WeakPolarHBondContact CA-O 3.34Å
96R92.9Very high90.1Very high152 Ų15248.3 Ų48.357%0.57425%0.251SS*.EExtended strand (participates in β ladder)trans-99.7132174.3-69.1-175.2177.3173.5-2.2110.3S30 E107S30-R96 CarbonylContact O-C 3.54Å; S30-R96 WeakPolarHBondContact O-CA 2.84Å; R96-E107 PolarHBondContact N-O 3.32Å; R96-E107 PolarHBondContact O-N 3.38Å
97V92.8Very high91.4Very high0 Ų050.3 Ų50.30%025%0.253CS..EExtended strand (participates in β ladder)trans-69.5132.6173.61780000109.7I26 G29 S30 V32 V38 I99 V104 V106I26-V97 HydrophobicContact CG2-CB 3.97Å; I26-V97 HydrophobicContact CG2-CG1 4.09Å; I26-V97 HydrophobicContact CG2-CG2 3.83Å; G29-V97 WeakPolarHBondContact CA-O 3.36Å; G29-V97 PolarHBondContact N-O 3.26Å; S30-V97 PolarHBondContact O-N 3.07Å; V32-V97 HydrophobicContact CB-CG2 4.18Å; V32-V97 HydrophobicContact CG1-CG2 3.46Å; V32-V97 VanDerWaalsContact CG1-CG2 3.46Å; V32-V97 HydrophobicContact CG2-CG2 3.62Å; V38-V97 HydrophobicContact CG1-CG1 3.96Å; V38-V97 HydrophobicContact CG1-CG2 4.1Å; V38-V97 HydrophobicContact CG2-CG2 4.45Å; V97-I99 HydrophobicContact CG1-CG1 4.15Å; V97-V104 HydrophobicContact CG1-CG1 4Å; V97-V106 HydrophobicContact CG2-CG2 4.41Å
98R92.6Very high91.9Very high75 Ų7551.5 Ų51.528%0.28326%0.258SS..EExtended strand (participates in β ladder)trans-124129.3175.6-66.2-63.5-165.6168.95.7109.4V104 Y105 E107R98-V104 WeakPolarHBondContact O-CA 3.48Å; R98-Y105 HydrophobicContact CB-CD1 3.89Å; R98-Y105 HydrophobicContact CB-CD2 4.01Å; R98-Y105 HydrophobicContact CB-CE1 3.42Å; R98-Y105 VanDerWaalsContact CB-CE1 3.42Å; R98-Y105 HydrophobicContact CB-CE2 3.56Å; R98-Y105 HydrophobicContact CB-CG 4.16Å; R98-Y105 HydrophobicContact CG-CD2 4.48Å; R98-Y105 HydrophobicContact CG-CE1 4.41Å; R98-Y105 HydrophobicContact CG-CE2 3.78Å; R98-Y105 PolarHBondContact N-O 3.34Å; R98-Y105 WeakPolarHBondContact O-CD1 3.47Å; R98-Y105 PolarHBondContact O-N 2.76Å; R98-E107 HydrophobicContact CG-CB 4.02Å; R98-E107 IonicContact CZ-OE2 3.1Å; R98-E107 VanDerWaalsContact CZ-OE2 3.31Å; R98-E107 IonicContact NE-OE2 3.2Å; R98-E107 PolarHBondContact NE-OE2 2.9Å; R98-E107 IonicContact NH2-OE2 2.7Å; R98-E107 PolarHBondContact NH2-OE2 2.89Å
99I90.5Very high91.8Very high22 Ų2253.8 Ų53.811%0.11328%0.276CS..EExtended strand (participates in β ladder)trans-118.3118.4179.4-51.3168.9000106.2V16 F39 V97 L103 V104V16-I99 HydrophobicContact CG2-CD1 3.83Å; V16-I99 HydrophobicContact CG2-CG2 4.48Å; F39-I99 HydrophobicContact CE2-CD1 4.14Å; F39-I99 HydrophobicContact CZ-CD1 3.65Å; F39-I99 HydrophobicContact CZ-CG1 4.48Å; V97-I99 HydrophobicContact CG1-CG1 4.15Å; I99-L103 WeakPolarHBondContact CA-O 3.5Å; I99-V104 HydrophobicContact CG1-CG2 4.49Å
100V89.7Confident91.5Very high73 Ų7362.5 Ų62.544%0.44231%0.314SS..EExtended strand (participates in β ladder)trans-126.8107.6176.61800000107.5K102 L103 Y105V100-K102 PolarHBondContact O-N 3.25Å; V100-K102 VanDerWaalsContact O-N 3.11Å; V100-L103 PolarHBondContact N-O 2.92Å; V100-L103 WeakPolarHBondContact O-CB 3.46Å; V100-L103 PolarHBondContact O-N 3.31Å; V100-Y105 HydrophobicContact CG2-CE1 3.94Å
101N90Very high91.2Very high104 Ų10463.6 Ų63.656%0.55633%0.328SS*.THydrogen-bonded Turntrans55.8-112-168.5-55-31.5000110.5Y15Y15-N101 HydrophobicContact CE2-CB 4.29Å
102K89.6Confident91.2Very high98 Ų9871.5 Ų71.543%0.42636%0.358SS..THydrogen-bonded Turntrans-97.9-7.1176.6-65.9177.5172.3-170.80113.3S44 L45 I46 V100S44-K102 WeakPolarHBondContact O-CD 3.26Å; L45-K102 CarbonylContact C-O 3.59Å; L45-K102 WeakPolarHBondContact CA-O 3.27Å; I46-K102 HydrophobicContact CD1-CB 4.47Å; I46-K102 HydrophobicContact CG1-CB 4.49Å; I46-K102 PolarHBondContact N-O 3.02Å; V100-K102 PolarHBondContact O-N 3.25Å; V100-K102 VanDerWaalsContact O-N 3.11Å
103L91.2Very high91.2Very high66 Ų6669.2 Ų69.235%0.34634%0.341SS..EExtended strand (participates in β ladder)trans-84.2123.1-177.3-178.768.5000110.2I46 I99 V100 Y105I46-L103 HydrophobicContact CB-CD1 4.33Å; I46-L103 HydrophobicContact CG2-CD1 3.99Å; I46-L103 WeakPolarHBondContact O-CA 3.32Å; I99-L103 WeakPolarHBondContact CA-O 3.5Å; V100-L103 PolarHBondContact N-O 2.92Å; V100-L103 WeakPolarHBondContact O-CB 3.46Å; V100-L103 PolarHBondContact O-N 3.31Å; L103-Y105 HydrophobicContact CD2-CD1 4.29Å; L103-Y105 HydrophobicContact CG-CD1 4.33Å
104V92.2Very high91.2Very high0 Ų071.2 Ų71.20%035%0.347CS..EExtended strand (participates in β ladder)trans-108.9124.7173.7-174.70000108.7V38 F39 L45 I46 G48 T51 V97 R98 I99V38-V104 HydrophobicContact CG1-CG1 4.46Å; F39-V104 HydrophobicContact CD2-CG1 4.17Å; F39-V104 HydrophobicContact CD2-CG2 4.09Å; F39-V104 HydrophobicContact CE2-CG1 3.85Å; F39-V104 HydrophobicContact CE2-CG2 3.82Å; L45-V104 HydrophobicContact CB-CG2 4.28Å; L45-V104 HydrophobicContact CD1-CG2 4.05Å; L45-V104 HydrophobicContact CD2-CG2 4.15Å; L45-V104 HydrophobicContact CG-CG2 4.39Å; I46-V104 PolarHBondContact O-N 2.8Å; G48-V104 WeakPolarHBondContact CA-O 3.25Å; G48-V104 PolarHBondContact N-O 3.02Å; T51-V104 HydrophobicContact CG2-CG1 4.24Å; T51-V104 PolarHBondContact OG1-O 3.35Å; V97-V104 HydrophobicContact CG1-CG1 4Å; R98-V104 WeakPolarHBondContact O-CA 3.48Å; I99-V104 HydrophobicContact CG1-CG2 4.49Å
105Y93.4Very high91.1Very high71 Ų7167.5 Ų67.528%0.27833%0.325SS..EExtended strand (participates in β ladder)trans-141.6163.2175.569.5-85.6000110.8H49 R98 V100 L103 E107H49-Y105 CarbonylContact O-C 3.59Å; H49-Y105 WeakPolarHBondContact O-CA 3.49Å; H49-Y105 VanDerWaalsContact O-CB 3.28Å; H49-Y105 WeakPolarHBondContact O-CB 3.49Å; R98-Y105 HydrophobicContact CB-CD1 3.89Å; R98-Y105 HydrophobicContact CB-CD2 4.01Å; R98-Y105 HydrophobicContact CB-CE1 3.42Å; R98-Y105 VanDerWaalsContact CB-CE1 3.42Å; R98-Y105 HydrophobicContact CB-CE2 3.56Å; R98-Y105 HydrophobicContact CB-CG 4.16Å; R98-Y105 HydrophobicContact CG-CD2 4.48Å; R98-Y105 HydrophobicContact CG-CE1 4.41Å; R98-Y105 HydrophobicContact CG-CE2 3.78Å; R98-Y105 PolarHBondContact N-O 3.34Å; R98-Y105 WeakPolarHBondContact O-CD1 3.47Å; R98-Y105 PolarHBondContact O-N 2.76Å; V100-Y105 HydrophobicContact CG2-CE1 3.94Å; L103-Y105 HydrophobicContact CD2-CD1 4.29Å; L103-Y105 HydrophobicContact CG-CD1 4.33Å; Y105-E107 HydrophobicContact CE2-CB 4.41Å
106V93.9Very high91.2Very high3 Ų370.5 Ų70.52%0.01834%0.339CS..EExtended strand (participates in β ladder)trans-107.8125.6176.2-1790000109.1V32 H49 G50 T51 T91 L93 V97 P108V32-V106 HydrophobicContact CG2-CG1 3.94Å; V32-V106 HydrophobicContact CG2-CG2 4Å; H49-V106 PolarHBondContact O-N 2.8Å; G50-V106 WeakPolarHBondContact O-CG2 3.36Å; T51-V106 HydrophobicContact CG2-CG2 3.95Å; T91-V106 HydrophobicContact CG2-CG2 4.02Å; L93-V106 HydrophobicContact CB-CG1 4.22Å; V97-V106 HydrophobicContact CG2-CG2 4.41Å; V106-P108 VanDerWaalsContact O-CD 3.25Å; V106-P108 WeakPolarHBondContact O-CD 3.33Å
107E91.3Very high91.4Very high82 Ų8268.1 Ų68.138%0.38334%0.341SS..EExtended strand (participates in β ladder)trans-91.8105174-174.7176.8-161.600109.4G95 R96 R98 Y105G95-E107 CarbonylContact C-O 3.59Å; G95-E107 VanDerWaalsContact CA-O 3.23Å; G95-E107 WeakPolarHBondContact CA-O 3.34Å; R96-E107 PolarHBondContact N-O 3.32Å; R96-E107 PolarHBondContact O-N 3.38Å; R98-E107 HydrophobicContact CG-CB 4.02Å; R98-E107 IonicContact CZ-OE2 3.1Å; R98-E107 VanDerWaalsContact CZ-OE2 3.31Å; R98-E107 IonicContact NE-OE2 3.2Å; R98-E107 PolarHBondContact NE-OE2 2.9Å; R98-E107 IonicContact NH2-OE2 2.7Å; R98-E107 PolarHBondContact NH2-OE2 2.89Å; Y105-E107 HydrophobicContact CE2-CB 4.41Å
108P91.3Very high91.5Very high38 Ų3870.5 Ų70.525%0.24737%0.365CS..  trans-73.3150.2179.232.1-38.1000111.5T94 V106 K110 A111T94-P108 WeakPolarHBondContact O-CA 3.28Å; V106-P108 VanDerWaalsContact O-CD 3.25Å; V106-P108 WeakPolarHBondContact O-CD 3.33Å; P108-K110 VanDerWaalsContact C-N 3.27Å; P108-K110 PolarHBondContact O-N 2.88Å; P108-A111 HydrophobicContact CG-CB 3.88Å
109P85.2Confident91.6Very high99 Ų9967.7 Ų67.764%0.64336%0.356SS*.SBendtrans-66.9-28.8-179.826.9-34.5000113.1T94T94-P109 WeakPolarHBondContact O-CD 3.4Å
110K84.5Confident91.9Very high183 Ų18367.2 Ų67.280%0.79635%0.354SS*.SBendtrans-130.2125.5174.2-69.6-177.9178.31770108.4P108P108-K110 VanDerWaalsContact C-N 3.27Å; P108-K110 PolarHBondContact O-N 2.88Å
111A85.7Confident92.2Very high54 Ų5463.8 Ų63.845%0.44633%0.333SS..  trans-138.7153.2173.500000110.5P108 P213P108-A111 HydrophobicContact CG-CB 3.88Å; A111-P213 WeakPolarHBondContact O-CG 3.47Å
112R92.4Very high92.6Very high166 Ų16658.9 Ų58.963%0.62631%0.306SS*.  trans-68158.6162.5-69.9-176.6176-99.3-2.6109.4F114 S139R112-F114 PolarHBondContact O-N 3.42Å; R112-S139 PolarHBondContact NH1-O 2.73Å
113Y95.3Very high92.9Very high7 Ų754.2 Ų54.23%0.02729%0.287CS..  trans-64.6125.6178.4169.3-116.7000110.6G115 D119 V121 N138 S139 L191 P213 C253 N254Y113-G115 WeakPolarHBondContact OH-CA 3.43Å; Y113-D119 WeakPolarHBondContact OH-CB 3.33Å; Y113-D119 PolarHBondContact OH-OD2 2.78Å; Y113-D119 VanDerWaalsContact OH-OD2 3.11Å; Y113-V121 HydrophobicContact CE1-CG1 3.72Å; Y113-V121 WeakPolarHBondContact OH-CG1 3.33Å; Y113-N138 WeakPolarHBondContact CB-O 3.46Å; Y113-N138 PolarHBondContact N-O 2.88Å; Y113-S139 WeakPolarHBondContact O-CA 3.41Å; Y113-S139 PolarHBondContact O-OG 3.01Å; Y113-L191 HydrophobicContact CD1-CD1 4.12Å; Y113-L191 HydrophobicContact CE1-CD1 3.68Å; Y113-P213 HydrophobicContact CD2-CB 4.47Å; Y113-C253 WeakPolarHBondContact CD2-O 3.41Å; Y113-C253 HydrophobicContact CE2-CB 3.9Å; Y113-N254 HydrophobicContact CD1-CB 3.4Å; Y113-N254 VanDerWaalsContact CD2-CA 3.43Å; Y113-N254 HydrophobicContact CD2-CB 3.82Å; Y113-N254 HydrophobicContact CE1-CB 3.77Å; Y113-N254 HydrophobicContact CE2-CB 4.15Å; Y113-N254 VanDerWaalsContact CG-CA 3.46Å; Y113-N254 HydrophobicContact CG-CB 3.4Å
114F92.8Very high93.2Very high114 Ų11455.1 Ų55.150%0.529%0.286SS..  trans-104.2116.9166.8-169.7-93.2000108R112R112-F114 PolarHBondContact O-N 3.42Å
115G93.7Very high93.4Very high2 Ų255.2 Ų55.22%0.02129%0.286CS..  trans-78.1140.9-173.700000112.9Y113 V185Y113-G115 WeakPolarHBondContact OH-CA 3.43Å; G115-V185 WeakPolarHBondContact O-CG2 3.41Å
116N94.7Very high93.6Very high72 Ų7255 Ų5539%0.38529%0.292SS..  trans-110.3150.2166.1-65.6-34.5000109.8G118 D119 V182 R218N116-G118 PolarHBondContact O-N 2.86Å; N116-D119 WeakPolarHBondContact CB-OD2 3.31Å; N116-D119 PolarHBondContact N-OD2 3.26Å; N116-D119 VanDerWaalsContact O-CB 3.28Å; N116-D119 WeakPolarHBondContact O-CB 3.32Å; N116-D119 PolarHBondContact O-N 3.02Å; N116-D119 VanDerWaalsContact O-N 3.08Å; N116-V182 VanDerWaalsContact O-CB 3.32Å; N116-V182 WeakPolarHBondContact O-CB 3.47Å; N116-V182 WeakPolarHBondContact O-CG1 3.46Å; N116-R218 VanDerWaalsContact ND2-CZ 3.29Å; N116-R218 PolarHBondContact ND2-NH1 2.62Å; N116-R218 PolarHBondContact ND2-NH2 3.02Å
117V96.3Very high93.7Very high102 Ų10258.6 Ų58.662%0.61831%0.308SS*.THydrogen-bonded Turntrans-58.3131174.5177.40000109.7H183 V185V117-H183 WeakPolarHBondContact CG1-O 3.49Å; V117-V185 HydrophobicContact CG2-CG2 4.31Å
118G94.6Very high93.9Very high49 Ų4956 Ų5651%0.50530%0.298SS..THydrogen-bonded Turntrans88.5-4.2-176.600000115.2N116 T120 V182N116-G118 PolarHBondContact O-N 2.86Å; G118-T120 PolarHBondContact O-N 3.48Å; G118-V182 PolarHBondContact N-O 3.06Å
119D96.3Very high94.1Very high17 Ų1756.8 Ų56.89%0.09130%0.299CS..  trans-64.7132.2175.8-78.3-18.2000111.2Y113 N116 V121 E181 V182 R218 C253Y113-D119 WeakPolarHBondContact OH-CB 3.33Å; Y113-D119 PolarHBondContact OH-OD2 2.78Å; Y113-D119 VanDerWaalsContact OH-OD2 3.11Å; N116-D119 WeakPolarHBondContact CB-OD2 3.31Å; N116-D119 PolarHBondContact N-OD2 3.26Å; N116-D119 VanDerWaalsContact O-CB 3.28Å; N116-D119 WeakPolarHBondContact O-CB 3.32Å; N116-D119 PolarHBondContact O-N 3.02Å; N116-D119 VanDerWaalsContact O-N 3.08Å; D119-V121 HydrophobicContact CB-CG1 4.5Å; D119-E181 WeakPolarHBondContact O-CA 3.37Å; D119-V182 HydrophobicContact CB-CB 4.49Å; D119-V182 HydrophobicContact CB-CG2 4.05Å; D119-V182 PolarHBondContact O-N 3Å; D119-R218 IonicContact OD1-CZ 3.76Å; D119-R218 IonicContact OD1-NH1 3.93Å; D119-R218 PolarHBondContact OD1-NH1 3.3Å; D119-R218 IonicContact OD2-CZ 3.92Å; D119-R218 IonicContact OD2-NH1 3.77Å; D119-R218 PolarHBondContact OD2-NH1 3.09Å; D119-R218 IonicContact OD2-NH2 3.08Å; D119-R218 PolarHBondContact OD2-NH2 2.94Å; D119-R218 VanDerWaalsContact OD2-NH2 3.09Å; D119-C253 HydrophobicContact CB-CB 4.08Å
120T95.5Very high94.4Very high12 Ų1259.1 Ų59.17%0.07430%0.301CS..EExtended strand (participates in β ladder)trans-81124.4168.2-63.20000108.9G118 V179 H222 R223 G252 C253G118-T120 PolarHBondContact O-N 3.48Å; T120-V179 HydrophobicContact CG2-CG2 3.82Å; T120-H222 HydrophobicContact CG2-CB 4.26Å; T120-R223 PolarHBondContact OG1-NH1 2.87Å; T120-G252 WeakPolarHBondContact O-CA 3.11Å; T120-C253 PolarHBondContact O-N 3.43Å
121V97Very high94.8Very high1 Ų157.3 Ų57.31%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-126.5145.4-179.1-65.10000110.9Y113 D119 V137 V179 A180 V182 L193 N254Y113-V121 HydrophobicContact CE1-CG1 3.72Å; Y113-V121 WeakPolarHBondContact OH-CG1 3.33Å; D119-V121 HydrophobicContact CB-CG1 4.5Å; V121-V137 HydrophobicContact CG2-CG1 4.3Å; V121-V179 WeakPolarHBondContact O-CA 3.47Å; V121-A180 HydrophobicContact CG2-CB 4.49Å; V121-A180 PolarHBondContact N-O 3.37Å; V121-A180 PolarHBondContact O-N 3.04Å; V121-V182 HydrophobicContact CG1-CG2 4.15Å; V121-V182 HydrophobicContact CG2-CG2 4.44Å; V121-L193 HydrophobicContact CG2-CD2 3.86Å; V121-N254 HydrophobicContact CG1-CB 4.15Å
122V96.7Very high95.3Very high0 Ų058.9 Ų58.90%028%0.284CS..EExtended strand (participates in β ladder)trans-100135.1166.8177.60000107.2I178 V179 L203 L208 I250 N254 Y256 W258V122-I178 WeakPolarHBondContact CA-O 3.44Å; V122-V179 HydrophobicContact CG2-CG2 4.38Å; V122-L203 HydrophobicContact CG1-CD1 4.01Å; V122-L203 HydrophobicContact CG2-CD1 4.49Å; V122-L208 HydrophobicContact CG1-CD1 3.74Å; V122-I250 HydrophobicContact CG2-CB 4.24Å; V122-I250 HydrophobicContact CG2-CG2 3.54Å; V122-N254 PolarHBondContact N-OD1 2.88Å; V122-N254 PolarHBondContact O-ND2 2.98Å; V122-Y256 WeakPolarHBondContact O-CB 3.32Å; V122-Y256 VanDerWaalsContact O-CD2 3.25Å; V122-Y256 WeakPolarHBondContact O-CD2 3.4Å; V122-W258 HydrophobicContact CG1-CB 4.38Å; V122-W258 HydrophobicContact CG2-CB 4.47Å
123G96.9Very high95.5Very high1 Ų151 Ų511%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-139.9162.5-177.800000112.5D136 L177 I178G123-D136 CarbonylContact C-O 3.5Å; G123-D136 WeakPolarHBondContact CA-O 3.36Å; G123-L177 WeakPolarHBondContact O-CA 3.47Å; G123-I178 PolarHBondContact N-O 3.22Å; G123-I178 PolarHBondContact O-N 3.47Å
124R97Very high95.6Very high85 Ų8553 Ų5332%0.32126%0.261SS..EExtended strand (participates in β ladder)trans-113.8131.3172.4-173.2178.8-64.8-88.97.1109.7V126 V135 D136 G175 D176 L177R124-V126 PolarHBondContact O-N 3.11Å; R124-V135 CarbonylContact O-C 3.58Å; R124-V135 WeakPolarHBondContact O-CA 3.36Å; R124-D136 PolarHBondContact N-O 2.97Å; R124-D136 PolarHBondContact O-N 2.82Å; R124-G175 PolarHBondContact NH1-O 2.9Å; R124-D176 CarbonylContact C-O 3.53Å; R124-D176 WeakPolarHBondContact CA-O 3.42Å; R124-L177 HydrophobicContact CB-CD2 3.92Å; R124-L177 HydrophobicContact CG-CD2 4.18Å
125I97.1Very high95.9Very high2 Ų247.5 Ų47.51%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-65126173.2-54.2-54.2000108.7W133 V135 M172 K173 G175 D176 I178I125-W133 HydrophobicContact CD1-CB 4.15Å; I125-W133 HydrophobicContact CG2-CB 4.48Å; I125-V135 HydrophobicContact CD1-CG2 3.76Å; I125-M172 HydrophobicContact CG1-CB 4.36Å; I125-K173 WeakPolarHBondContact CB-O 3.32Å; I125-G175 PolarHBondContact O-N 3.45Å; I125-D176 HydrophobicContact CG1-CB 4.17Å; I125-D176 PolarHBondContact N-O 3.31Å; I125-I178 HydrophobicContact CD1-CD1 3.89Å; I125-I178 HydrophobicContact CD1-CG1 4.24Å; I125-I178 HydrophobicContact CD1-CG2 4.08Å; I125-I178 HydrophobicContact CG1-CG2 4.31Å
126V97.7Very high96.1Very high67 Ų6749.1 Ų49.141%0.40625%0.245SC..EExtended strand (participates in β ladder)trans-98-49.5178.4177.70000110.2R124 R134 D136 L142 E174R124-V126 PolarHBondContact O-N 3.11Å; V126-R134 PolarHBondContact N-O 3.3Å; V126-D136 HydrophobicContact CG2-CB 3.69Å; V126-L142 HydrophobicContact CB-CD1 4.43Å; V126-L142 HydrophobicContact CG1-CD1 4.29Å; V126-L142 HydrophobicContact CG2-CD2 3.96Å; V126-E174 WeakPolarHBondContact O-CG 3.45Å
127E96.3Very high96.2Very high77 Ų7745.8 Ų45.836%0.3623%0.227SC..EExtended strand (participates in β ladder)trans-145.8150.7-178.155.8-177.3169.800110.8E129 R134E127-E129 HydrophobicContact CG-CG 4.41Å; E127-R134 HydrophobicContact CG-CB 3.5Å; E127-R134 HydrophobicContact CG-CG 3.55Å; E127-R134 PolarHBondContact O-N 2.96Å; E127-R134 WeakPolarHBondContact OE1-CG 3.29Å; E127-R134 IonicContact OE1-NH1 3.01Å
128V95.6Very high96.2Very high29 Ų2942.6 Ų42.618%0.17621%0.207CC..EExtended strand (participates in β ladder)trans-104.5110.2172.2-169.40000107.7M168 E174V128-M168 HydrophobicContact CG1-CB 3.88Å; V128-M168 HydrophobicContact CG1-CE 4.2Å; V128-E174 HydrophobicContact CG2-CG 4.42Å
129E94.4Very high96.2Very high53 Ų5340.9 Ų40.925%0.24819%0.187CC..EExtended strand (participates in β ladder)trans-99.3178.9176-65.3-175.4-153.300110.8E127 R131 R132 R134E127-E129 HydrophobicContact CG-CG 4.41Å; E129-R131 PolarHBondContact O-N 3.46Å; E129-R131 VanDerWaalsContact O-N 3.14Å; E129-R132 CarbonylContact C-O 3.57Å; E129-R132 WeakPolarHBondContact CA-O 3.43Å; E129-R132 HydrophobicContact CB-CG 3.94Å; E129-R132 PolarHBondContact N-O 2.93Å; E129-R132 VanDerWaalsContact O-O 3.11Å; E129-R132 IonicContact OE1-NE 2.67Å; E129-R132 IonicContact OE1-NH2 3.7Å; E129-R132 IonicContact OE2-CZ 2.97Å; E129-R132 IonicContact OE2-NE 3.89Å; E129-R132 PolarHBondContact OE2-NE 3.37Å; E129-R132 IonicContact OE2-NH2 3.78Å; E129-R132 PolarHBondContact OE2-NH2 3.47Å; E129-R134 HydrophobicContact CG-CG 4.17Å; E129-R134 WeakPolarHBondContact OE1-CD 3.36Å; E129-R134 WeakPolarHBondContact OE1-CG 3.39Å; E129-R134 IonicContact OE1-CZ 3.08Å; E129-R134 IonicContact OE1-NH1 3.37Å; E129-R134 PolarHBondContact OE1-NH1 2.87Å
130Q91.8Very high96.1Very high149 Ų14943.7 Ų43.770%0.69621%0.213SC*.THydrogen-bonded Turntrans-61.9116.5173.1-163.3175.811.400110.6R132 E165Q130-R132 PolarHBondContact O-N 3.44Å; Q130-R132 VanDerWaalsContact O-N 3.09Å; Q130-E165 WeakPolarHBondContact CG-OE1 3.44Å; Q130-E165 PolarHBondContact NE2-OE1 3.12Å
131R92.9Very high96.1Very high145 Ų14547 Ų4755%0.54723%0.23SC..THydrogen-bonded Turntrans62.67.8177.9-58.2172.5177.7-173.8-1.5116.2E129 L147 E165 M168E129-R131 PolarHBondContact O-N 3.46Å; E129-R131 VanDerWaalsContact O-N 3.14Å; R131-L147 VanDerWaalsContact O-CB 3.3Å; R131-L147 WeakPolarHBondContact O-CB 3.44Å; R131-L147 PolarHBondContact O-N 3.16Å; R131-E165 VanDerWaalsContact CG-CD 3.41Å; R131-E165 HydrophobicContact CG-CG 3.83Å; R131-E165 WeakPolarHBondContact CG-OE2 3.17Å; R131-E165 IonicContact CZ-OE2 3.39Å; R131-E165 IonicContact NE-OE1 2.72Å; R131-E165 IonicContact NE-OE2 2.8Å; R131-E165 PolarHBondContact NE-OE2 2.87Å; R131-E165 IonicContact NH2-OE2 3.22Å; R131-E165 PolarHBondContact NH2-OE2 3.37Å; R131-M168 VanDerWaalsContact CA-SD 3.57Å
132R95.5Very high96.1Very high87 Ų8749.3 Ų49.333%0.32824%0.242SC..EExtended strand (participates in β ladder)trans-149.5153.6174.666.3-176.6-178.8-179.91113.1E129 Q130 L145E129-R132 CarbonylContact C-O 3.57Å; E129-R132 WeakPolarHBondContact CA-O 3.43Å; E129-R132 HydrophobicContact CB-CG 3.94Å; E129-R132 PolarHBondContact N-O 2.93Å; E129-R132 VanDerWaalsContact O-O 3.11Å; E129-R132 IonicContact OE1-NE 2.67Å; E129-R132 IonicContact OE1-NH2 3.7Å; E129-R132 IonicContact OE2-CZ 2.97Å; E129-R132 IonicContact OE2-NE 3.89Å; E129-R132 PolarHBondContact OE2-NE 3.37Å; E129-R132 IonicContact OE2-NH2 3.78Å; E129-R132 PolarHBondContact OE2-NH2 3.47Å; Q130-R132 PolarHBondContact O-N 3.44Å; Q130-R132 VanDerWaalsContact O-N 3.09Å; R132-L145 CarbonylContact C-O 3.54Å; R132-L145 VanDerWaalsContact CA-O 3.3Å; R132-L145 WeakPolarHBondContact CA-O 3.38Å
133W97.3Very high96.2Very high0 Ų049.3 Ų49.30%024%0.242CC..EExtended strand (participates in β ladder)trans-100.9141.7165.4-61-93.8000109.8I125 L145 L147 V150 M168 F171 M172I125-W133 HydrophobicContact CD1-CB 4.15Å; I125-W133 HydrophobicContact CG2-CB 4.48Å; W133-L145 HydrophobicContact CB-CB 4.28Å; W133-L145 HydrophobicContact CB-CD2 4.48Å; W133-L145 HydrophobicContact CD2-CD2 4.49Å; W133-L145 HydrophobicContact CE3-CD2 3.92Å; W133-L145 HydrophobicContact CE3-CG 4.02Å; W133-L145 PolarHBondContact N-O 3.2Å; W133-L145 PolarHBondContact O-N 3.28Å; W133-L147 HydrophobicContact CH2-CD1 3.55Å; W133-L147 HydrophobicContact CZ3-CB 4.39Å; W133-L147 HydrophobicContact CZ3-CD1 3.95Å; W133-V150 HydrophobicContact CE3-CG2 4.25Å; W133-V150 HydrophobicContact CH2-CG2 4.46Å; W133-V150 HydrophobicContact CZ3-CB 4.25Å; W133-V150 HydrophobicContact CZ3-CG2 3.64Å; W133-M168 HydrophobicContact CD2-CE 3.5Å; W133-M168 VanDerWaalsContact CD2-CE 3.5Å; W133-M168 VanDerWaalsContact CE2-CE 3.42Å; W133-M168 HydrophobicContact CE3-CE 3.68Å; W133-M168 HydrophobicContact CG-CE 4.2Å; W133-M168 HydrophobicContact CH2-CE 3.76Å; W133-M168 HydrophobicContact CH2-CG 4.31Å; W133-M168 HydrophobicContact CZ2-CB 3.82Å; W133-M168 HydrophobicContact CZ2-CE 3.57Å; W133-M168 HydrophobicContact CZ2-CG 3.99Å; W133-M168 WeakPolarHBondContact CZ2-O 3.33Å; W133-M168 HydrophobicContact CZ3-CE 3.81Å; W133-F171 HydrophobicContact CZ2-CB 4.49Å; W133-M172 HydrophobicContact CD2-CE 3.7Å; W133-M172 HydrophobicContact CE3-CE 3.71Å; W133-M172 HydrophobicContact CG-CE 4.42Å; W133-M172 HydrophobicContact CH2-CE 3.63Å; W133-M172 HydrophobicContact CZ2-CE 3.61Å; W133-M172 HydrophobicContact CZ3-CE 3.68Å; W133-M172 PolarHBondContact NE1-O 2.94Å; W133-M172 VanDerWaalsContact NE1-O 3.08Å
134R97.8Very high96.2Very high48 Ų4850.1 Ų50.118%0.18125%0.246CC..EExtended strand (participates in β ladder)trans-96.7133168.3-56.9-65.6-64.8-834.2109.4V126 E127 E129 L142 A143 N144V126-R134 PolarHBondContact N-O 3.3Å; E127-R134 HydrophobicContact CG-CB 3.5Å; E127-R134 HydrophobicContact CG-CG 3.55Å; E127-R134 PolarHBondContact O-N 2.96Å; E127-R134 WeakPolarHBondContact OE1-CG 3.29Å; E127-R134 IonicContact OE1-NH1 3.01Å; E129-R134 HydrophobicContact CG-CG 4.17Å; E129-R134 WeakPolarHBondContact OE1-CD 3.36Å; E129-R134 WeakPolarHBondContact OE1-CG 3.39Å; E129-R134 IonicContact OE1-CZ 3.08Å; E129-R134 IonicContact OE1-NH1 3.37Å; E129-R134 PolarHBondContact OE1-NH1 2.87Å; R134-L142 HydrophobicContact CB-CB 4.45Å; R134-L142 HydrophobicContact CB-CD1 4.25Å; R134-A143 WeakPolarHBondContact CA-O 3.26Å; R134-N144 WeakPolarHBondContact CD-OD1 3.49Å; R134-N144 PolarHBondContact NE-OD1 3.36Å
135V98.1Very high96.2Very high0 Ų046.1 Ų46.10%023%0.231CC..EExtended strand (participates in β ladder)trans-125.6125.3-169.3-1690000109.8R124 I125 V137 A143 L145 I178 L193R124-V135 CarbonylContact O-C 3.58Å; R124-V135 WeakPolarHBondContact O-CA 3.36Å; I125-V135 HydrophobicContact CD1-CG2 3.76Å; V135-V137 HydrophobicContact CB-CG1 4.38Å; V135-V137 HydrophobicContact CG1-CG1 3.87Å; V135-V137 PolarHBondContact O-N 2.86Å; V135-A143 HydrophobicContact CB-CB 4.47Å; V135-A143 PolarHBondContact N-O 3.26Å; V135-A143 PolarHBondContact O-N 2.79Å; V135-L145 HydrophobicContact CG2-CB 3.97Å; V135-I178 HydrophobicContact CG1-CD1 3.89Å; V135-I178 HydrophobicContact CG1-CG1 4.15Å; V135-I178 HydrophobicContact CG2-CD1 3.99Å; V135-L193 HydrophobicContact CB-CD1 3.97Å; V135-L193 HydrophobicContact CG1-CD1 4.17Å; V135-L193 HydrophobicContact CG2-CD1 4.07Å
136D97.9Very high96.1Very high36 Ų3647 Ų4719%0.19324%0.239CC..EExtended strand (participates in β ladder)trans-75115.7167.117230.3000109.3G123 R124 V126 N138 L142 R210 Y256G123-D136 CarbonylContact C-O 3.5Å; G123-D136 WeakPolarHBondContact CA-O 3.36Å; R124-D136 PolarHBondContact N-O 2.97Å; R124-D136 PolarHBondContact O-N 2.82Å; V126-D136 HydrophobicContact CG2-CB 3.69Å; D136-N138 PolarHBondContact OD1-N 3.15Å; D136-L142 HydrophobicContact CB-CD2 4.06Å; D136-R210 IonicContact OD2-NH2 2.6Å; D136-Y256 PolarHBondContact OD1-OH 2.88Å; D136-Y256 PolarHBondContact OD2-OH 3.19Å
137V97.4Very high95.9Very high1 Ų144.3 Ų44.31%0.00622%0.222CC..  trans-123.223.2177.7-62.70000112V121 V135 S139 A143 L191 L193 N254V121-V137 HydrophobicContact CG2-CG1 4.3Å; V135-V137 HydrophobicContact CB-CG1 4.38Å; V135-V137 HydrophobicContact CG1-CG1 3.87Å; V135-V137 PolarHBondContact O-N 2.86Å; V137-S139 PolarHBondContact O-N 2.83Å; V137-S139 VanDerWaalsContact O-N 3.17Å; V137-A143 HydrophobicContact CG1-CB 4.15Å; V137-A143 HydrophobicContact CG2-CB 3.74Å; V137-L191 HydrophobicContact CG2-CD1 3.98Å; V137-L193 HydrophobicContact CG1-CD1 4.05Å; V137-N254 VanDerWaalsContact C-ND2 3.31Å; V137-N254 WeakPolarHBondContact CA-ND2 3.37Å; V137-N254 WeakPolarHBondContact O-CB 3.39Å; V137-N254 PolarHBondContact O-ND2 3.32Å
138N96.1Very high95.6Very high36 Ų3644.1 Ų44.119%0.19323%0.233CC..SBendtrans60.422.3-179.1-163.231.1000114.8Y113 D136 N254 Y256Y113-N138 WeakPolarHBondContact CB-O 3.46Å; Y113-N138 PolarHBondContact N-O 2.88Å; D136-N138 PolarHBondContact OD1-N 3.15Å; N138-N254 PolarHBondContact ND2-O 2.95Å; N138-Y256 HydrophobicContact CB-CD1 4.15Å; N138-Y256 HydrophobicContact CB-CE1 3.63Å; N138-Y256 HydrophobicContact CB-CE2 4.4Å
139S94.8Very high95.4Very high13 Ų1344.9 Ų44.99%0.09124%0.236CC..SBendtrans-84.9-179.8171.1-178.80000110.5R112 Y113 V137 L141R112-S139 PolarHBondContact NH1-O 2.73Å; Y113-S139 WeakPolarHBondContact O-CA 3.41Å; Y113-S139 PolarHBondContact O-OG 3.01Å; V137-S139 PolarHBondContact O-N 2.83Å; V137-S139 VanDerWaalsContact O-N 3.17Å; S139-L141 VanDerWaalsContact C-N 3.29Å; S139-L141 WeakPolarHBondContact CB-O 3.49Å
140A93.8Very high95.2Very high76 Ų7642.4 Ų42.463%0.62823%0.225SC*.SBendtrans-67-32.3169.100000112.1
141L96Very high95Very high81 Ų8138.9 Ų38.942%0.42421%0.207SC..SBendtrans-123155.8-178.7-59.3175.7000110.8S139 T190S139-L141 VanDerWaalsContact C-N 3.29Å; S139-L141 WeakPolarHBondContact CB-O 3.49Å; L141-T190 WeakPolarHBondContact CD1-OG1 3.39Å
142L97.5Very high94.5Very high50 Ų5032.6 Ų32.626%0.26219%0.185SC..PPolyproline II helixtrans-68.3132.2170.8-64.5178.2000109.9V126 R134 D136V126-L142 HydrophobicContact CB-CD1 4.43Å; V126-L142 HydrophobicContact CG1-CD1 4.29Å; V126-L142 HydrophobicContact CG2-CD2 3.96Å; R134-L142 HydrophobicContact CB-CB 4.45Å; R134-L142 HydrophobicContact CB-CD1 4.25Å; D136-L142 HydrophobicContact CB-CD2 4.06Å
143A98Very high93.6Very high0 Ų030.7 Ų30.70%018%0.184CC..EExtended strand (participates in β ladder)trans-75.6154.3177.500000111.4R134 V135 V137 L191 L193R134-A143 WeakPolarHBondContact CA-O 3.26Å; V135-A143 HydrophobicContact CB-CB 4.47Å; V135-A143 PolarHBondContact N-O 3.26Å; V135-A143 PolarHBondContact O-N 2.79Å; V137-A143 HydrophobicContact CG1-CB 4.15Å; V137-A143 HydrophobicContact CG2-CB 3.74Å; A143-L191 CarbonylContact C-O 3.45Å; A143-L191 WeakPolarHBondContact CA-O 3.46Å; A143-L191 HydrophobicContact CB-CB 3.96Å; A143-L191 WeakPolarHBondContact CB-O 3.35Å; A143-L193 HydrophobicContact CB-CD1 3.79Å; A143-L193 HydrophobicContact CB-CD2 4.31Å; A143-L193 HydrophobicContact CB-CG 3.89Å
144N97.7Very high92.2Very high18 Ų1834.2 Ų34.210%0.09622%0.219CC..EExtended strand (participates in β ladder)trans-103.4127.2179-69.4-22.6000109.7R134 L191 Q192 L193R134-N144 WeakPolarHBondContact CD-OD1 3.49Å; R134-N144 PolarHBondContact NE-OD1 3.36Å; N144-L191 PolarHBondContact N-O 2.93Å; N144-Q192 PolarHBondContact O-OE1 2.88Å; N144-L193 PolarHBondContact O-N 3.5Å
145L97Very high90.6Very high0 Ų034.2 Ų34.20%024%0.235CC..EExtended strand (participates in β ladder)trans-115.498.4168.8178.568.5000108.1R132 W133 V135 V150 M172 I178 L193 M195R132-L145 CarbonylContact C-O 3.54Å; R132-L145 VanDerWaalsContact CA-O 3.3Å; R132-L145 WeakPolarHBondContact CA-O 3.38Å; W133-L145 HydrophobicContact CB-CB 4.28Å; W133-L145 HydrophobicContact CB-CD2 4.48Å; W133-L145 HydrophobicContact CD2-CD2 4.49Å; W133-L145 HydrophobicContact CE3-CD2 3.92Å; W133-L145 HydrophobicContact CE3-CG 4.02Å; W133-L145 PolarHBondContact N-O 3.2Å; W133-L145 PolarHBondContact O-N 3.28Å; V135-L145 HydrophobicContact CG2-CB 3.97Å; L145-V150 HydrophobicContact CD1-CG2 3.73Å; L145-V150 HydrophobicContact CD2-CG2 3.83Å; L145-V150 HydrophobicContact CG-CG2 3.71Å; L145-M172 HydrophobicContact CD2-CE 3.87Å; L145-I178 HydrophobicContact CD2-CD1 3.93Å; L145-L193 HydrophobicContact CB-CB 4.33Å; L145-L193 HydrophobicContact CD1-CB 3.86Å; L145-M195 HydrophobicContact CD1-CG 4Å; L145-M195 HydrophobicContact CD1-SD 3.95Å; L145-M195 HydrophobicContact CD2-SD 3.43Å; L145-M195 WeakPolarHBondContact CD2-SD 3.41Å; L145-M195 HydrophobicContact CG-SD 4.33Å
146A95.3Very high88.8Confident22 Ų2241.2 Ų41.218%0.18227%0.267CS..EExtended strand (participates in β ladder)trans-68.6143.8178.200000111.1A148 N149 Q192A146-A148 HydrophobicContact CB-CB 4.46Å; A146-A148 PolarHBondContact O-N 3.41Å; A146-A148 VanDerWaalsContact O-N 3.16Å; A146-N149 PolarHBondContact O-N 2.87Å; A146-Q192 VanDerWaalsContact CB-NE2 3.35Å
147L92.3Very high87.4Confident10 Ų1048.1 Ų48.15%0.05230%0.303CS..EExtended strand (participates in β ladder)trans-53-37.8172.2-17960.6000110.7R131 W133 N149 V150 L152 K160 D164 E165 M168R131-L147 VanDerWaalsContact O-CB 3.3Å; R131-L147 WeakPolarHBondContact O-CB 3.44Å; R131-L147 PolarHBondContact O-N 3.16Å; W133-L147 HydrophobicContact CH2-CD1 3.55Å; W133-L147 HydrophobicContact CZ3-CB 4.39Å; W133-L147 HydrophobicContact CZ3-CD1 3.95Å; L147-N149 PolarHBondContact O-N 2.95Å; L147-V150 PolarHBondContact O-N 2.96Å; L147-L152 HydrophobicContact CD1-CD1 4.28Å; L147-L152 HydrophobicContact CD1-CD2 4.18Å; L147-K160 HydrophobicContact CG-CD 4.29Å; L147-K160 WeakPolarHBondContact O-CD 3.27Å; L147-K160 VanDerWaalsContact O-CE 3.25Å; L147-K160 WeakPolarHBondContact O-CE 3.43Å; L147-K160 PolarHBondContact O-NZ 2.96Å; L147-D164 HydrophobicContact CD2-CB 4.1Å; L147-E165 HydrophobicContact CD2-CB 4.42Å; L147-M168 HydrophobicContact CB-CE 4.34Å; L147-M168 HydrophobicContact CB-SD 4.26Å; L147-M168 HydrophobicContact CD1-CG 4.12Å; L147-M168 HydrophobicContact CD1-SD 4.47Å; L147-M168 HydrophobicContact CD2-CG 4.2Å; L147-M168 HydrophobicContact CD2-SD 4.06Å; L147-M168 HydrophobicContact CG-SD 4.49Å
148A90.6Very high86.4Confident72 Ų7253 Ų5360%0.59532%0.322SS*.EExtended strand (participates in β ladder)trans-57.9-25.417500000114.7A146 K160A146-A148 HydrophobicContact CB-CB 4.46Å; A146-A148 PolarHBondContact O-N 3.41Å; A146-A148 VanDerWaalsContact O-N 3.16Å; A148-K160 VanDerWaalsContact CA-NZ 3.32Å; A148-K160 PolarHBondContact O-NZ 3.47Å
149N91.7Very high85.7Confident45 Ų4562.6 Ų62.624%0.24136%0.355CS..EExtended strand (participates in β ladder)trans-994.2-175-67.52.7000113.9A146 L147 Q192 L193 H194 M195A146-N149 PolarHBondContact O-N 2.87Å; L147-N149 PolarHBondContact O-N 2.95Å; N149-Q192 PolarHBondContact ND2-NE2 2.92Å; N149-Q192 VanDerWaalsContact ND2-NE2 3.13Å; N149-L193 PolarHBondContact ND2-O 3.41Å; N149-L193 VanDerWaalsContact ND2-O 3.1Å; N149-H194 HydrophobicContact CB-CB 3.88Å; N149-M195 PolarHBondContact O-N 3Å
150V90.5Very high85.1Confident2 Ų265.8 Ų65.81%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-107.5133.5179.3-178.60000110.9W133 L145 L147 L152 K160 M172 M195 L271W133-V150 HydrophobicContact CE3-CG2 4.25Å; W133-V150 HydrophobicContact CH2-CG2 4.46Å; W133-V150 HydrophobicContact CZ3-CB 4.25Å; W133-V150 HydrophobicContact CZ3-CG2 3.64Å; L145-V150 HydrophobicContact CD1-CG2 3.73Å; L145-V150 HydrophobicContact CD2-CG2 3.83Å; L145-V150 HydrophobicContact CG-CG2 3.71Å; L147-V150 PolarHBondContact O-N 2.96Å; V150-L152 HydrophobicContact CG1-CD2 4.31Å; V150-L152 PolarHBondContact O-N 3.5Å; V150-K160 WeakPolarHBondContact O-CE 3.48Å; V150-K160 PolarHBondContact O-NZ 3.03Å; V150-M172 HydrophobicContact CG1-CE 4.36Å; V150-M172 HydrophobicContact CG2-CE 4.32Å; V150-M195 HydrophobicContact CG1-CB 4.49Å; V150-M195 HydrophobicContact CG2-CB 4.37Å; V150-M195 HydrophobicContact CG2-SD 4.4Å; V150-L271 HydrophobicContact CG1-CD1 3.65Å; V150-L271 HydrophobicContact CG1-CD2 3.91Å; V150-L271 HydrophobicContact CG1-CG 4.33Å
151K86.9Confident84.6Confident74 Ų7464.5 Ų64.532%0.32235%0.354SS..  trans-78.8107.1168.9-176.8172.4166.3176.40109.6E156 M195 P196K151-E156 HydrophobicContact CD-CG 3.9Å; K151-E156 WeakPolarHBondContact CE-OE1 3.35Å; K151-E156 HydrophobicContact CG-CG 4.36Å; K151-E156 IonicContact NZ-OE1 2.7Å; K151-E156 PolarHBondContact NZ-OE1 3.11Å; K151-E156 IonicContact NZ-OE2 2.8Å; K151-M195 PolarHBondContact N-O 3.3Å; K151-P196 WeakPolarHBondContact CD-O 3.33Å
152L83.5Confident84.2Confident14 Ų1466.4 Ų66.47%0.07336%0.361CS..  trans-76.9148.6178.5-61.4179.2000110.6L147 V150 K160 D164 F171 L271L147-L152 HydrophobicContact CD1-CD1 4.28Å; L147-L152 HydrophobicContact CD1-CD2 4.18Å; V150-L152 HydrophobicContact CG1-CD2 4.31Å; V150-L152 PolarHBondContact O-N 3.5Å; L152-K160 HydrophobicContact CD1-CG 4.33Å; L152-D164 HydrophobicContact CD1-CB 3.94Å; L152-F171 HydrophobicContact CD1-CE2 4.27Å; L152-F171 HydrophobicContact CD1-CZ 4.47Å; L152-F171 HydrophobicContact CD2-CD2 3.83Å; L152-F171 HydrophobicContact CD2-CE1 4.49Å; L152-F171 HydrophobicContact CD2-CE2 3.8Å; L152-F171 HydrophobicContact CD2-CG 4.21Å; L152-F171 HydrophobicContact CD2-CZ 4.14Å; L152-L271 HydrophobicContact CD2-CD1 3.68Å
153P75.7Confident83.7Confident47 Ų4769 Ų6931%0.30538%0.375SS..THydrogen-bonded Turntrans-62.4137.2169.827.8-33.5000109.7F171P153-F171 HydrophobicContact CG-CD1 4.04Å; P153-F171 HydrophobicContact CG-CE1 3.67Å
154G68Low83.2Confident73 Ų7369.4 Ų69.475%0.75338%0.377SS*.THydrogen-bonded Turntrans118.59.6179.200000116.9
155G63.9Low82.7Confident49 Ų4970.5 Ų70.551%0.50538%0.382SS..  trans107.4139.3170.300000114.3L157G155-L157 VanDerWaalsContact C-N 3.32Å; G155-L157 PolarHBondContact O-N 3.01Å
156E59.4Low82.3Confident146 Ų14678.5 Ų78.568%0.68241%0.412SS*.THydrogen-bonded Turntrans-72.4-12.5-165.6-76.5176.9134.300116K151K151-E156 HydrophobicContact CD-CG 3.9Å; K151-E156 WeakPolarHBondContact CE-OE1 3.35Å; K151-E156 HydrophobicContact CG-CG 4.36Å; K151-E156 IonicContact NZ-OE1 2.7Å; K151-E156 PolarHBondContact NZ-OE1 3.11Å; K151-E156 IonicContact NZ-OE2 2.8Å
157L68.7Low82Confident181 Ų18179 Ų7995%0.94842%0.416SS*.THydrogen-bonded Turntrans-110.923-164.7-145.876.1000115.3G155G155-L157 VanDerWaalsContact C-N 3.32Å; G155-L157 PolarHBondContact O-N 3.01Å
158R77.9Confident81.8Confident104 Ų10478.7 Ų78.739%0.39241%0.414SS..  trans-106.4143.5174.672.4-177.6-173.683.4-2.5112.1D164R158-D164 IonicContact CZ-OD1 3.39Å; R158-D164 IonicContact CZ-OD2 3.81Å; R158-D164 VanDerWaalsContact NH1-CG 3.33Å; R158-D164 IonicContact NH1-OD1 2.68Å; R158-D164 PolarHBondContact NH1-OD1 3.04Å; R158-D164 IonicContact NH1-OD2 2.61Å; R158-D164 PolarHBondContact NH1-OD2 3.17Å; R158-D164 IonicContact NH2-OD1 3.67Å; R158-D164 PolarHBondContact NH2-OD1 2.72Å; R158-D164 IonicContact NH2-OD2 3.88Å; R158-D164 PolarHBondContact NH2-OD2 3.32Å
159R80.9Confident81.9Confident238 Ų23882.6 Ų82.690%0.89841%0.414SS*.PPolyproline II helixtrans-65.3142.8165.3-69.2-177.5-178.2150.60.8108.8S161R159-S161 PolarHBondContact O-N 2.82Å
160K82.4Confident81.7Confident79 Ų7984.9 Ų84.934%0.34343%0.433SS..PPolyproline II helixtrans-71.9124.6176.6-73158.5-179.8177.50108.9L147 A148 V150 L152 D164L147-K160 HydrophobicContact CG-CD 4.29Å; L147-K160 WeakPolarHBondContact O-CD 3.27Å; L147-K160 VanDerWaalsContact O-CE 3.25Å; L147-K160 WeakPolarHBondContact O-CE 3.43Å; L147-K160 PolarHBondContact O-NZ 2.96Å; A148-K160 VanDerWaalsContact CA-NZ 3.32Å; A148-K160 PolarHBondContact O-NZ 3.47Å; V150-K160 WeakPolarHBondContact O-CE 3.48Å; V150-K160 PolarHBondContact O-NZ 3.03Å; L152-K160 HydrophobicContact CD1-CG 4.33Å; K160-D164 VanDerWaalsContact CA-OD2 3.29Å; K160-D164 WeakPolarHBondContact CA-OD2 3.25Å
161S83.2Confident81.6Confident50 Ų5086.4 Ų86.435%0.3544%0.44SS..PPolyproline II helixtrans-94.8169.3-176.263.70000111.3R159 D163 D164 E165R159-S161 PolarHBondContact O-N 2.82Å; S161-D163 PolarHBondContact O-N 3.14Å; S161-D163 PolarHBondContact OG-N 3.11Å; S161-D164 PolarHBondContact N-OD2 3.44Å; S161-D164 WeakPolarHBondContact O-CB 3.47Å; S161-D164 PolarHBondContact O-N 2.93Å; S161-D164 VanDerWaalsContact O-N 3.16Å; S161-D164 PolarHBondContact OG-OD2 2.91Å; S161-E165 PolarHBondContact O-N 3.42Å
162E87.2Confident81.8Confident121 Ų12182.9 Ų82.957%0.56542%0.424SS*.Hα-helixtrans-61.7-27170.5-63.5-176.1-179.800112.6D164 E165 R166E162-D164 VanDerWaalsContact C-N 3.3Å; E162-D164 PolarHBondContact O-N 3.29Å; E162-E165 WeakPolarHBondContact O-CB 3.28Å; E162-E165 PolarHBondContact O-N 3.13Å; E162-R166 PolarHBondContact O-N 3Å; E162-R166 IonicContact OE2-CZ 3.49Å; E162-R166 IonicContact OE2-NH2 3.76Å; E162-R166 PolarHBondContact OE2-NH2 3.16Å
163D87.1Confident82.2Confident103 Ų10387.8 Ų87.855%0.55145%0.445SS*.Hα-helixtrans-66.6-34.6175.6-62.9-35000111.5S161 E165 R166 A167S161-D163 PolarHBondContact O-N 3.14Å; S161-D163 PolarHBondContact OG-N 3.11Å; D163-E165 VanDerWaalsContact C-N 3.29Å; D163-E165 PolarHBondContact O-N 3.49Å; D163-R166 PolarHBondContact O-N 2.93Å; D163-R166 IonicContact OD1-NH1 2.7Å; D163-R166 PolarHBondContact OD1-NH1 3.13Å; D163-A167 VanDerWaalsContact O-CB 3.27Å; D163-A167 WeakPolarHBondContact O-CB 3.45Å; D163-A167 PolarHBondContact O-N 3.27Å
164D86.9Confident83.1Confident10 Ų1089.4 Ų89.45%0.05345%0.448CS..Hα-helixtrans-65.4-35.9172.9-60.4-43.8000111.8L147 L152 R158 K160 S161 E162 A167 M168L147-D164 HydrophobicContact CD2-CB 4.1Å; L152-D164 HydrophobicContact CD1-CB 3.94Å; R158-D164 IonicContact CZ-OD1 3.39Å; R158-D164 IonicContact CZ-OD2 3.81Å; R158-D164 VanDerWaalsContact NH1-CG 3.33Å; R158-D164 IonicContact NH1-OD1 2.68Å; R158-D164 PolarHBondContact NH1-OD1 3.04Å; R158-D164 IonicContact NH1-OD2 2.61Å; R158-D164 PolarHBondContact NH1-OD2 3.17Å; R158-D164 IonicContact NH2-OD1 3.67Å; R158-D164 PolarHBondContact NH2-OD1 2.72Å; R158-D164 IonicContact NH2-OD2 3.88Å; R158-D164 PolarHBondContact NH2-OD2 3.32Å; K160-D164 VanDerWaalsContact CA-OD2 3.29Å; K160-D164 WeakPolarHBondContact CA-OD2 3.25Å; S161-D164 PolarHBondContact N-OD2 3.44Å; S161-D164 WeakPolarHBondContact O-CB 3.47Å; S161-D164 PolarHBondContact O-N 2.93Å; S161-D164 VanDerWaalsContact O-N 3.16Å; S161-D164 PolarHBondContact OG-OD2 2.91Å; E162-D164 VanDerWaalsContact C-N 3.3Å; E162-D164 PolarHBondContact O-N 3.29Å; D164-A167 CarbonylContact O-C 3.51Å; D164-A167 PolarHBondContact O-N 2.9Å; D164-M168 VanDerWaalsContact O-CG 3.27Å; D164-M168 WeakPolarHBondContact O-CG 3.16Å; D164-M168 PolarHBondContact O-N 2.68Å
165E88.1Confident84.4Confident41 Ų4187.4 Ų87.419%0.19243%0.428CS..Hα-helixtrans-63.8-42.1175.7-170.5179.2154.300110.7Q130 R131 L147 S161 E162 D163 A167 M168Q130-E165 WeakPolarHBondContact CG-OE1 3.44Å; Q130-E165 PolarHBondContact NE2-OE1 3.12Å; R131-E165 VanDerWaalsContact CG-CD 3.41Å; R131-E165 HydrophobicContact CG-CG 3.83Å; R131-E165 WeakPolarHBondContact CG-OE2 3.17Å; R131-E165 IonicContact CZ-OE2 3.39Å; R131-E165 IonicContact NE-OE1 2.72Å; R131-E165 IonicContact NE-OE2 2.8Å; R131-E165 PolarHBondContact NE-OE2 2.87Å; R131-E165 IonicContact NH2-OE2 3.22Å; R131-E165 PolarHBondContact NH2-OE2 3.37Å; L147-E165 HydrophobicContact CD2-CB 4.42Å; S161-E165 PolarHBondContact O-N 3.42Å; E162-E165 WeakPolarHBondContact O-CB 3.28Å; E162-E165 PolarHBondContact O-N 3.13Å; D163-E165 VanDerWaalsContact C-N 3.29Å; D163-E165 PolarHBondContact O-N 3.49Å; E165-A167 VanDerWaalsContact C-N 3.35Å; E165-M168 VanDerWaalsContact O-CG 3.32Å; E165-M168 WeakPolarHBondContact O-CG 3.27Å; E165-M168 PolarHBondContact O-N 3.08Å
166R88.4Confident85.8Confident167 Ų16786.1 Ų86.163%0.6341%0.41SS*.Hα-helixtrans-67.7-35.4173.9-65177.1-168.6103.812.4112.2E162 D163 M168E162-R166 PolarHBondContact O-N 3Å; E162-R166 IonicContact OE2-CZ 3.49Å; E162-R166 IonicContact OE2-NH2 3.76Å; E162-R166 PolarHBondContact OE2-NH2 3.16Å; D163-R166 PolarHBondContact O-N 2.93Å; D163-R166 IonicContact OD1-NH1 2.7Å; D163-R166 PolarHBondContact OD1-NH1 3.13Å; R166-M168 VanDerWaalsContact C-N 3.33Å; R166-M168 PolarHBondContact O-N 2.9Å
167A87.9Confident87.4Confident33 Ų3380.2 Ų80.227%0.27338%0.383SS..THydrogen-bonded Turntrans-84.11.7-178.900000114D163 D164 E165 R169 S170 F171D163-A167 VanDerWaalsContact O-CB 3.27Å; D163-A167 WeakPolarHBondContact O-CB 3.45Å; D163-A167 PolarHBondContact O-N 3.27Å; D164-A167 CarbonylContact O-C 3.51Å; D164-A167 PolarHBondContact O-N 2.9Å; E165-A167 VanDerWaalsContact C-N 3.35Å; A167-R169 PolarHBondContact O-N 2.69Å; A167-R169 VanDerWaalsContact O-N 3.1Å; A167-S170 WeakPolarHBondContact O-CB 3.46Å; A167-S170 PolarHBondContact O-N 3.26Å; A167-S170 PolarHBondContact O-OG 3.08Å; A167-F171 HydrophobicContact CB-CE2 4Å; A167-F171 HydrophobicContact CB-CZ 4.47Å; A167-F171 WeakPolarHBondContact O-CD2 3.27Å; A167-F171 PolarHBondContact O-N 3.39Å
168M90Very high88.6Confident3 Ų371.7 Ų71.72%0.01534%0.338CS..Hα-helixtrans-52.5-40.9-175.6-75-17363.100113.8V128 R131 W133 L147 D164 E165 R166 S170 F171 M172V128-M168 HydrophobicContact CG1-CB 3.88Å; V128-M168 HydrophobicContact CG1-CE 4.2Å; R131-M168 VanDerWaalsContact CA-SD 3.57Å; W133-M168 HydrophobicContact CD2-CE 3.5Å; W133-M168 VanDerWaalsContact CD2-CE 3.5Å; W133-M168 VanDerWaalsContact CE2-CE 3.42Å; W133-M168 HydrophobicContact CE3-CE 3.68Å; W133-M168 HydrophobicContact CG-CE 4.2Å; W133-M168 HydrophobicContact CH2-CE 3.76Å; W133-M168 HydrophobicContact CH2-CG 4.31Å; W133-M168 HydrophobicContact CZ2-CB 3.82Å; W133-M168 HydrophobicContact CZ2-CE 3.57Å; W133-M168 HydrophobicContact CZ2-CG 3.99Å; W133-M168 WeakPolarHBondContact CZ2-O 3.33Å; W133-M168 HydrophobicContact CZ3-CE 3.81Å; L147-M168 HydrophobicContact CB-CE 4.34Å; L147-M168 HydrophobicContact CB-SD 4.26Å; L147-M168 HydrophobicContact CD1-CG 4.12Å; L147-M168 HydrophobicContact CD1-SD 4.47Å; L147-M168 HydrophobicContact CD2-CG 4.2Å; L147-M168 HydrophobicContact CD2-SD 4.06Å; L147-M168 HydrophobicContact CG-SD 4.49Å; D164-M168 VanDerWaalsContact O-CG 3.27Å; D164-M168 WeakPolarHBondContact O-CG 3.16Å; D164-M168 PolarHBondContact O-N 2.68Å; E165-M168 VanDerWaalsContact O-CG 3.32Å; E165-M168 WeakPolarHBondContact O-CG 3.27Å; E165-M168 PolarHBondContact O-N 3.08Å; R166-M168 VanDerWaalsContact C-N 3.33Å; R166-M168 PolarHBondContact O-N 2.9Å; M168-S170 VanDerWaalsContact C-N 3.28Å; M168-S170 PolarHBondContact O-N 2.6Å; M168-F171 PolarHBondContact O-N 2.97Å; M168-M172 PolarHBondContact O-N 3.39Å
169R91.3Very high89.4Confident155 Ų15566.7 Ų66.759%0.58532%0.319SS*.Hα-helixtrans-68.3-24179.1-171.3177.4-75.3138.5-0.8113.3A167 K173 E174A167-R169 PolarHBondContact O-N 2.69Å; A167-R169 VanDerWaalsContact O-N 3.1Å; R169-K173 HydrophobicContact CG-CB 4.17Å; R169-E174 IonicContact NE-OE1 3.87Å; R169-E174 IonicContact NE-OE2 2.7Å; R169-E174 IonicContact NH2-OE1 2.89Å
170S87.9Confident90Very high93 Ų9355.4 Ų55.465%0.6528%0.277SS*.Hα-helixtrans-75.2-31.817774.70000112.1A167 M168A167-S170 WeakPolarHBondContact O-CB 3.46Å; A167-S170 PolarHBondContact O-N 3.26Å; A167-S170 PolarHBondContact O-OG 3.08Å; M168-S170 VanDerWaalsContact C-N 3.28Å; M168-S170 PolarHBondContact O-N 2.6Å
171F87.9Confident90.7Very high33 Ų3353.6 Ų53.615%0.14527%0.27CS..Hα-helixtrans-74.4-51175.5-60.7-57.9000112.1W133 L152 P153 A167 M168 L271W133-F171 HydrophobicContact CZ2-CB 4.49Å; L152-F171 HydrophobicContact CD1-CE2 4.27Å; L152-F171 HydrophobicContact CD1-CZ 4.47Å; L152-F171 HydrophobicContact CD2-CD2 3.83Å; L152-F171 HydrophobicContact CD2-CE1 4.49Å; L152-F171 HydrophobicContact CD2-CE2 3.8Å; L152-F171 HydrophobicContact CD2-CG 4.21Å; L152-F171 HydrophobicContact CD2-CZ 4.14Å; P153-F171 HydrophobicContact CG-CD1 4.04Å; P153-F171 HydrophobicContact CG-CE1 3.67Å; A167-F171 HydrophobicContact CB-CE2 4Å; A167-F171 HydrophobicContact CB-CZ 4.47Å; A167-F171 WeakPolarHBondContact O-CD2 3.27Å; A167-F171 PolarHBondContact O-N 3.39Å; M168-F171 PolarHBondContact O-N 2.97Å; F171-L271 HydrophobicContact CB-CB 4.21Å; F171-L271 HydrophobicContact CB-CD1 3.72Å; F171-L271 HydrophobicContact CD1-CB 4.41Å; F171-L271 HydrophobicContact CD1-CD1 4.04Å; F171-L271 HydrophobicContact CG-CD1 3.93Å
172M90.9Very high91.3Very high0 Ų051.3 Ų51.30%025%0.253CS..SBendtrans-145.3124.2-179-65.3177.9-67.200109.4I125 W133 L145 V150 M168 D176 I178 M195 L271I125-M172 HydrophobicContact CG1-CB 4.36Å; W133-M172 HydrophobicContact CD2-CE 3.7Å; W133-M172 HydrophobicContact CE3-CE 3.71Å; W133-M172 HydrophobicContact CG-CE 4.42Å; W133-M172 HydrophobicContact CH2-CE 3.63Å; W133-M172 HydrophobicContact CZ2-CE 3.61Å; W133-M172 HydrophobicContact CZ3-CE 3.68Å; W133-M172 PolarHBondContact NE1-O 2.94Å; W133-M172 VanDerWaalsContact NE1-O 3.08Å; L145-M172 HydrophobicContact CD2-CE 3.87Å; V150-M172 HydrophobicContact CG1-CE 4.36Å; V150-M172 HydrophobicContact CG2-CE 4.32Å; M168-M172 PolarHBondContact O-N 3.39Å; M172-D176 WeakPolarHBondContact CA-OD2 3.25Å; M172-I178 HydrophobicContact SD-CG2 3.61Å; M172-M195 HydrophobicContact SD-CE 4.31Å; M172-M195 HydrophobicContact SD-SD 4.47Å; M172-L271 HydrophobicContact CE-CD2 4.4Å; M172-L271 HydrophobicContact SD-CD2 4.14Å
173K91.9Very high91.8Very high118 Ų11850.1 Ų50.151%0.51325%0.248SC..  trans-109.2167.4177.963.3179.9178.9-173.80111.1I125 R169 G175 D176I125-K173 WeakPolarHBondContact CB-O 3.32Å; R169-K173 HydrophobicContact CG-CB 4.17Å; K173-G175 PolarHBondContact O-N 3.3Å; K173-D176 WeakPolarHBondContact CG-OD2 3.49Å; K173-D176 PolarHBondContact N-OD2 2.9Å; K173-D176 VanDerWaalsContact O-CB 3.3Å; K173-D176 WeakPolarHBondContact O-CB 3.46Å; K173-D176 PolarHBondContact O-N 3.09Å; K173-D176 VanDerWaalsContact O-N 3.1Å
174E95.4Very high92.2Very high80 Ų8049.4 Ų49.437%0.37424%0.241SC..THydrogen-bonded Turntrans-54.2131.7175.4-55.785.4170.800110.2V126 V128 R169V126-E174 WeakPolarHBondContact O-CG 3.45Å; V128-E174 HydrophobicContact CG2-CG 4.42Å; R169-E174 IonicContact NE-OE1 3.87Å; R169-E174 IonicContact NE-OE2 2.7Å; R169-E174 IonicContact NH2-OE1 2.89Å
175G94.1Very high92.7Very high32 Ų3251 Ų5133%0.3325%0.251SS..THydrogen-bonded Turntrans91.2-14.6-176.500000115.3R124 I125 K173R124-G175 PolarHBondContact NH1-O 2.9Å; I125-G175 PolarHBondContact O-N 3.45Å; K173-G175 PolarHBondContact O-N 3.3Å
176D93.2Very high93.1Very high21 Ų2153.3 Ų53.311%0.11226%0.259CS..  trans-63.4144.4176.4-73.7-26.4000111.5R124 I125 M172 K173 K202R124-D176 CarbonylContact C-O 3.53Å; R124-D176 WeakPolarHBondContact CA-O 3.42Å; I125-D176 HydrophobicContact CG1-CB 4.17Å; I125-D176 PolarHBondContact N-O 3.31Å; M172-D176 WeakPolarHBondContact CA-OD2 3.25Å; K173-D176 WeakPolarHBondContact CG-OD2 3.49Å; K173-D176 PolarHBondContact N-OD2 2.9Å; K173-D176 VanDerWaalsContact O-CB 3.3Å; K173-D176 WeakPolarHBondContact O-CB 3.46Å; K173-D176 PolarHBondContact O-N 3.09Å; K173-D176 VanDerWaalsContact O-N 3.1Å; D176-K202 VanDerWaalsContact OD1-CE 3.28Å; D176-K202 WeakPolarHBondContact OD1-CE 3.28Å; D176-K202 IonicContact OD1-NZ 3.26Å; D176-K202 PolarHBondContact OD1-NZ 3.23Å; D176-K202 VanDerWaalsContact OD2-CE 3.24Å; D176-K202 WeakPolarHBondContact OD2-CE 3.18Å; D176-K202 IonicContact OD2-NZ 2.73Å; D176-K202 PolarHBondContact OD2-NZ 3.43Å
177L93.8Very high93.3Very high23 Ų2356.2 Ų56.212%0.1228%0.276CS..EExtended strand (participates in β ladder)trans-93.4140.9173.1-67178.3000110.2G123 R124 L203 L208G123-L177 WeakPolarHBondContact O-CA 3.47Å; R124-L177 HydrophobicContact CB-CD2 3.92Å; R124-L177 HydrophobicContact CG-CD2 4.18Å; L177-L203 HydrophobicContact CB-CB 3.99Å; L177-L203 HydrophobicContact CB-CD1 4.49Å; L177-L203 PolarHBondContact O-N 2.83Å; L177-L208 HydrophobicContact CD1-CB 3.97Å; L177-L208 HydrophobicContact CD2-CD1 4.39Å; L177-L208 HydrophobicContact CD2-CD2 3.96Å
178I93.8Very high93.6Very high1 Ų159.6 Ų59.61%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-134154.7177.762.3162.6000110.6V122 G123 I125 V135 L145 M172 A180 M195 G201V122-I178 WeakPolarHBondContact CA-O 3.44Å; G123-I178 PolarHBondContact N-O 3.22Å; G123-I178 PolarHBondContact O-N 3.47Å; I125-I178 HydrophobicContact CD1-CD1 3.89Å; I125-I178 HydrophobicContact CD1-CG1 4.24Å; I125-I178 HydrophobicContact CD1-CG2 4.08Å; I125-I178 HydrophobicContact CG1-CG2 4.31Å; V135-I178 HydrophobicContact CG1-CD1 3.89Å; V135-I178 HydrophobicContact CG1-CG1 4.15Å; V135-I178 HydrophobicContact CG2-CD1 3.99Å; L145-I178 HydrophobicContact CD2-CD1 3.93Å; M172-I178 HydrophobicContact SD-CG2 3.61Å; I178-A180 HydrophobicContact CD1-CB 4.28Å; I178-M195 HydrophobicContact CB-CE 4.1Å; I178-M195 HydrophobicContact CB-SD 4.42Å; I178-M195 HydrophobicContact CD1-SD 3.89Å; I178-M195 HydrophobicContact CG2-CE 4.22Å; I178-G201 WeakPolarHBondContact CA-O 3.47Å
179V94.4Very high93.6Very high0 Ų060.3 Ų60.30%030%0.298CS..EExtended strand (participates in β ladder)trans-113.8125162.366.90000108.9T120 V121 V122 T200 G201 L203 R223 I250 I267T120-V179 HydrophobicContact CG2-CG2 3.82Å; V121-V179 WeakPolarHBondContact O-CA 3.47Å; V122-V179 HydrophobicContact CG2-CG2 4.38Å; V179-T200 CarbonylContact O-C 3.59Å; V179-T200 VanDerWaalsContact O-CA 3.28Å; V179-T200 WeakPolarHBondContact O-CA 3.18Å; V179-T200 VanDerWaalsContact O-CB 3.25Å; V179-T200 WeakPolarHBondContact O-CB 3.43Å; V179-G201 PolarHBondContact N-O 2.87Å; V179-G201 PolarHBondContact O-N 3.43Å; V179-L203 HydrophobicContact CB-CD1 4.14Å; V179-L203 HydrophobicContact CB-CD2 4.41Å; V179-L203 HydrophobicContact CB-CG 4.35Å; V179-L203 HydrophobicContact CG1-CD2 4.09Å; V179-L203 HydrophobicContact CG1-CG 4.39Å; V179-R223 VanDerWaalsContact CG2-NH2 3.29Å; V179-I250 HydrophobicContact CB-CD1 4.33Å; V179-I250 HydrophobicContact CG1-CD1 4.29Å; V179-I250 HydrophobicContact CG2-CD1 4.41Å; V179-I250 HydrophobicContact CG2-CG2 3.78Å; V179-I267 HydrophobicContact CG1-CD1 3.78Å
180A95.1Very high93.8Very high1 Ų153.5 Ų53.51%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-136.4168.2-175.200000110.5V121 I178 L193 M195V121-A180 HydrophobicContact CG2-CB 4.49Å; V121-A180 PolarHBondContact N-O 3.37Å; V121-A180 PolarHBondContact O-N 3.04Å; I178-A180 HydrophobicContact CD1-CB 4.28Å; A180-L193 HydrophobicContact CB-CB 4.15Å; A180-L193 HydrophobicContact CB-CD1 4.23Å; A180-M195 HydrophobicContact CB-CG 3.74Å; A180-M195 HydrophobicContact CB-SD 4.28Å
181E95.4Very high94.3Very high41 Ų4149.2 Ų49.219%0.19224%0.243CC..EExtended strand (participates in β ladder)trans-116.2141.8175.5-73.4167.4-163.600109.6D119 H183 L193 H194 T200 R223D119-E181 WeakPolarHBondContact O-CA 3.37Å; E181-H183 PolarHBondContact O-N 3.12Å; E181-L193 WeakPolarHBondContact O-CA 3.16Å; E181-H194 WeakPolarHBondContact CB-CE1 3.35Å; E181-H194 PolarHBondContact N-O 3.27Å; E181-H194 VanDerWaalsContact N-O 3.07Å; E181-H194 PolarHBondContact O-N 3Å; E181-H194 PolarHBondContact O-ND1 2.92Å; E181-H194 IonicContact OE2-NE2 2.66Å; E181-T200 HydrophobicContact CG-CG2 3.97Å; E181-R223 IonicContact OE1-NH1 2.68Å; E181-R223 PolarHBondContact OE1-NH1 2.84Å; E181-R223 IonicContact OE1-NH2 3.54Å
182V97.1Very high94.8Very high1 Ų148.3 Ų48.31%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-72.6115.5176.1-179.80000108.6N116 G118 D119 V121 V185 L191 L193N116-V182 VanDerWaalsContact O-CB 3.32Å; N116-V182 WeakPolarHBondContact O-CB 3.47Å; N116-V182 WeakPolarHBondContact O-CG1 3.46Å; G118-V182 PolarHBondContact N-O 3.06Å; D119-V182 HydrophobicContact CB-CB 4.49Å; D119-V182 HydrophobicContact CB-CG2 4.05Å; D119-V182 PolarHBondContact O-N 3Å; V121-V182 HydrophobicContact CG1-CG2 4.15Å; V121-V182 HydrophobicContact CG2-CG2 4.44Å; V182-V185 HydrophobicContact CG1-CG2 4.01Å; V182-L191 HydrophobicContact CG1-CD2 4.37Å; V182-L193 HydrophobicContact CG2-CD2 4.13Å
183H96.1Very high95.1Very high96 Ų9648.3 Ų48.344%0.44424%0.239SC..EExtended strand (participates in β ladder)trans-83.5-47.9177.4-176.5-100.4000111.4V117 E181 Q192 H194V117-H183 WeakPolarHBondContact CG1-O 3.49Å; E181-H183 PolarHBondContact O-N 3.12Å; H183-Q192 WeakPolarHBondContact CB-O 3.16Å; H183-Q192 PolarHBondContact N-O 3.43Å; H183-H194 HydrophobicContact CB-CB 4.11Å; H183-H194 WeakPolarHBondContact CB-ND1 3.15Å; H183-H194 PolarHBondContact N-ND1 2.72Å
184E97.1Very high95.3Very high88 Ų8844.6 Ų44.641%0.41122%0.224SC..EExtended strand (participates in β ladder)trans-149.9150.8-173.5-171.1176.5-174.500110Q192E184-Q192 HydrophobicContact CB-CB 4.14Å; E184-Q192 PolarHBondContact N-O 3.32Å; E184-Q192 PolarHBondContact O-N 3.45Å
185V96.4Very high95.1Very high44 Ų4440.9 Ų40.927%0.26721%0.207SC..EExtended strand (participates in β ladder)trans-117.6115.8174.7-176.40000107.4G115 V117 V182 L191G115-V185 WeakPolarHBondContact O-CG2 3.41Å; V117-V185 HydrophobicContact CG2-CG2 4.31Å; V182-V185 HydrophobicContact CG1-CG2 4.01Å; V185-L191 HydrophobicContact CB-CD2 4.27Å; V185-L191 HydrophobicContact CG1-CD2 3.94Å; V185-L191 HydrophobicContact CG2-CD2 3.72Å
186Y96Very high94.7Very high89 Ų8941.8 Ų41.835%0.34921%0.207SC..  trans-73.9163.2178.8-67.2-62.2000111.3D188 G189 T190 Q192Y186-D188 WeakPolarHBondContact CB-OD1 3.37Å; Y186-D188 PolarHBondContact O-N 3.12Å; Y186-G189 PolarHBondContact O-N 3.25Å; Y186-T190 HydrophobicContact CD2-CG2 4.14Å; Y186-T190 WeakPolarHBondContact CD2-O 3.35Å; Y186-T190 PolarHBondContact N-O 2.84Å; Y186-Q192 HydrophobicContact CE2-CB 3.83Å
187K93.4Very high94Very high229 Ų22941.3 Ų41.3100%0.99621%0.206SC*.THydrogen-bonded Turntrans-61.5-26-176.4-64.7-175.3179.8-177.90114G189K187-G189 VanDerWaalsContact C-N 3.29Å
188D93.4Very high93.3Very high103 Ų10345.2 Ų45.255%0.55123%0.231SC*.THydrogen-bonded Turntrans-81.1-6.9175.565.4-20.9000113Y186 T190Y186-D188 WeakPolarHBondContact CB-OD1 3.37Å; Y186-D188 PolarHBondContact O-N 3.12Å; D188-T190 VanDerWaalsContact CG-OG1 3.28Å; D188-T190 WeakPolarHBondContact OD1-CB 3.4Å; D188-T190 PolarHBondContact OD1-N 2.73Å; D188-T190 PolarHBondContact OD1-OG1 3.45Å; D188-T190 WeakPolarHBondContact OD2-CB 3.33Å; D188-T190 PolarHBondContact OD2-OG1 3.3Å
189G91.9Very high92.8Very high19 Ų1952.1 Ų52.120%0.19626%0.257CS..SBendtrans87.92.8-174.200000114.2Y186 K187 L191Y186-G189 PolarHBondContact O-N 3.25Å; K187-G189 VanDerWaalsContact C-N 3.29Å; G189-L191 PolarHBondContact O-N 3.06Å
190T95.7Very high92.6Very high12 Ų1252.2 Ų52.27%0.07426%0.258CS..PPolyproline II helixtrans-66.6133.6172.5-63.90000109.5L141 Y186 D188L141-T190 WeakPolarHBondContact CD1-OG1 3.39Å; Y186-T190 HydrophobicContact CD2-CG2 4.14Å; Y186-T190 WeakPolarHBondContact CD2-O 3.35Å; Y186-T190 PolarHBondContact N-O 2.84Å; D188-T190 VanDerWaalsContact CG-OG1 3.28Å; D188-T190 WeakPolarHBondContact OD1-CB 3.4Å; D188-T190 PolarHBondContact OD1-N 2.73Å; D188-T190 PolarHBondContact OD1-OG1 3.45Å; D188-T190 WeakPolarHBondContact OD2-CB 3.33Å; D188-T190 PolarHBondContact OD2-OG1 3.3Å
191L97.8Very high92.3Very high2 Ų252.3 Ų52.31%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-95.9129.3-178.4-56.4177.7000110.3Y113 V137 A143 N144 V182 V185 G189Y113-L191 HydrophobicContact CD1-CD1 4.12Å; Y113-L191 HydrophobicContact CE1-CD1 3.68Å; V137-L191 HydrophobicContact CG2-CD1 3.98Å; A143-L191 CarbonylContact C-O 3.45Å; A143-L191 WeakPolarHBondContact CA-O 3.46Å; A143-L191 HydrophobicContact CB-CB 3.96Å; A143-L191 WeakPolarHBondContact CB-O 3.35Å; N144-L191 PolarHBondContact N-O 2.93Å; V182-L191 HydrophobicContact CG1-CD2 4.37Å; V185-L191 HydrophobicContact CB-CD2 4.27Å; V185-L191 HydrophobicContact CG1-CD2 3.94Å; V185-L191 HydrophobicContact CG2-CD2 3.72Å; G189-L191 PolarHBondContact O-N 3.06Å
192Q97.9Very high92Very high15 Ų1551.9 Ų51.97%0.0726%0.256CS..EExtended strand (participates in β ladder)trans-94.3121.5168.4-172.365.617.500109.3N144 A146 N149 H183 E184 Y186N144-Q192 PolarHBondContact O-OE1 2.88Å; A146-Q192 VanDerWaalsContact CB-NE2 3.35Å; N149-Q192 PolarHBondContact ND2-NE2 2.92Å; N149-Q192 VanDerWaalsContact ND2-NE2 3.13Å; H183-Q192 WeakPolarHBondContact CB-O 3.16Å; H183-Q192 PolarHBondContact N-O 3.43Å; E184-Q192 HydrophobicContact CB-CB 4.14Å; E184-Q192 PolarHBondContact N-O 3.32Å; E184-Q192 PolarHBondContact O-N 3.45Å; Y186-Q192 HydrophobicContact CE2-CB 3.83Å
193L97.5Very high91.7Very high0 Ų052.2 Ų52.20%026%0.258CS..EExtended strand (participates in β ladder)trans-96.4156.9179.4-55.8-178.7000111.1V121 V135 V137 A143 N144 L145 N149 A180 E181 V182V121-L193 HydrophobicContact CG2-CD2 3.86Å; V135-L193 HydrophobicContact CB-CD1 3.97Å; V135-L193 HydrophobicContact CG1-CD1 4.17Å; V135-L193 HydrophobicContact CG2-CD1 4.07Å; V137-L193 HydrophobicContact CG1-CD1 4.05Å; A143-L193 HydrophobicContact CB-CD1 3.79Å; A143-L193 HydrophobicContact CB-CD2 4.31Å; A143-L193 HydrophobicContact CB-CG 3.89Å; N144-L193 PolarHBondContact O-N 3.5Å; L145-L193 HydrophobicContact CB-CB 4.33Å; L145-L193 HydrophobicContact CD1-CB 3.86Å; N149-L193 PolarHBondContact ND2-O 3.41Å; N149-L193 VanDerWaalsContact ND2-O 3.1Å; A180-L193 HydrophobicContact CB-CB 4.15Å; A180-L193 HydrophobicContact CB-CD1 4.23Å; E181-L193 WeakPolarHBondContact O-CA 3.16Å; V182-L193 HydrophobicContact CG2-CD2 4.13Å
194H95Very high91Very high40 Ų4048 Ų4819%0.18524%0.241CC..EExtended strand (participates in β ladder)trans-141.3152.7169.572.3-64.1000112N149 E181 H183N149-H194 HydrophobicContact CB-CB 3.88Å; E181-H194 WeakPolarHBondContact CB-CE1 3.35Å; E181-H194 PolarHBondContact N-O 3.27Å; E181-H194 VanDerWaalsContact N-O 3.07Å; E181-H194 PolarHBondContact O-N 3Å; E181-H194 PolarHBondContact O-ND1 2.92Å; E181-H194 IonicContact OE2-NE2 2.66Å; H183-H194 HydrophobicContact CB-CB 4.11Å; H183-H194 WeakPolarHBondContact CB-ND1 3.15Å; H183-H194 PolarHBondContact N-ND1 2.72Å
195M92.4Very high90.4Very high2 Ų246 Ų461%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-136.679.5-176.2-65.9173.269.100110.2L145 N149 V150 K151 M172 I178 A180 G197 T200 G201 L271L145-M195 HydrophobicContact CD1-CG 4Å; L145-M195 HydrophobicContact CD1-SD 3.95Å; L145-M195 HydrophobicContact CD2-SD 3.43Å; L145-M195 WeakPolarHBondContact CD2-SD 3.41Å; L145-M195 HydrophobicContact CG-SD 4.33Å; N149-M195 PolarHBondContact O-N 3Å; V150-M195 HydrophobicContact CG1-CB 4.49Å; V150-M195 HydrophobicContact CG2-CB 4.37Å; V150-M195 HydrophobicContact CG2-SD 4.4Å; K151-M195 PolarHBondContact N-O 3.3Å; M172-M195 HydrophobicContact SD-CE 4.31Å; M172-M195 HydrophobicContact SD-SD 4.47Å; I178-M195 HydrophobicContact CB-CE 4.1Å; I178-M195 HydrophobicContact CB-SD 4.42Å; I178-M195 HydrophobicContact CD1-SD 3.89Å; I178-M195 HydrophobicContact CG2-CE 4.22Å; A180-M195 HydrophobicContact CB-CG 3.74Å; A180-M195 HydrophobicContact CB-SD 4.28Å; M195-G197 PolarHBondContact O-N 2.74Å; M195-T200 VanDerWaalsContact C-OG1 3.27Å; M195-T200 VanDerWaalsContact CA-OG1 3.26Å; M195-T200 WeakPolarHBondContact CA-OG1 3.46Å; M195-G201 VanDerWaalsContact CE-N 3.3Å; M195-G201 WeakPolarHBondContact CE-O 2.97Å; M195-L271 HydrophobicContact CE-CD2 4.31Å
196P85.4Confident90.1Very high51 Ų5146 Ų4633%0.33125%0.252SS..  trans-70.3-5-179.828-36.4000114.4K151 T198 T200K151-P196 WeakPolarHBondContact CD-O 3.33Å; P196-T198 PolarHBondContact O-N 3.39Å; P196-T200 WeakPolarHBondContact CD-OG1 3.2Å; P196-T200 VanDerWaalsContact N-OG1 3.12Å
197G78.6Confident90Very high10 Ų1043.3 Ų43.310%0.10325%0.246CC..SBendtrans87-15.5171.400000116.3M195 T200 G268M195-G197 PolarHBondContact O-N 2.74Å; G197-T200 WeakPolarHBondContact CA-O 3.08Å; G197-T200 PolarHBondContact N-OG1 3.1Å; G197-G268 WeakPolarHBondContact O-CA 3.44Å
198T78.3Confident90.1Very high106 Ų10634.2 Ų34.265%0.6521%0.208SC*.SBendtrans-69.3-35.3179.852.80000112.9P196P196-T198 PolarHBondContact O-N 3.39Å
199R84.1Confident90.3Very high145 Ų14529.6 Ų29.655%0.54718%0.184SC..SBendtrans-140.6-0.1179.1-59-177.1-178.8-130.8-3.4112.4R223R199-R223 PolarHBondContact O-NE 3.39Å; R199-R223 PolarHBondContact O-NH2 2.9Å
200T89.2Confident90.5Very high2 Ų236 Ų361%0.01220%0.202CC..  trans-117.7144.8-17347.40000110.1V179 E181 M195 P196 G197 R223 I267V179-T200 CarbonylContact O-C 3.59Å; V179-T200 VanDerWaalsContact O-CA 3.28Å; V179-T200 WeakPolarHBondContact O-CA 3.18Å; V179-T200 VanDerWaalsContact O-CB 3.25Å; V179-T200 WeakPolarHBondContact O-CB 3.43Å; E181-T200 HydrophobicContact CG-CG2 3.97Å; M195-T200 VanDerWaalsContact C-OG1 3.27Å; M195-T200 VanDerWaalsContact CA-OG1 3.26Å; M195-T200 WeakPolarHBondContact CA-OG1 3.46Å; P196-T200 WeakPolarHBondContact CD-OG1 3.2Å; P196-T200 VanDerWaalsContact N-OG1 3.12Å; G197-T200 WeakPolarHBondContact CA-O 3.08Å; G197-T200 PolarHBondContact N-OG1 3.1Å; T200-R223 VanDerWaalsContact CG2-NH2 3.35Å; T200-I267 VanDerWaalsContact C-CG2 3.47Å; T200-I267 VanDerWaalsContact O-CG2 3.3Å; T200-I267 WeakPolarHBondContact O-CG2 3.46Å
201G89.5Confident90.4Very high3 Ų335.8 Ų35.83%0.03120%0.2CC..EExtended strand (participates in β ladder)trans162.1-171-176.100000112.4I178 V179 M195I178-G201 WeakPolarHBondContact CA-O 3.47Å; V179-G201 PolarHBondContact N-O 2.87Å; V179-G201 PolarHBondContact O-N 3.43Å; M195-G201 VanDerWaalsContact CE-N 3.3Å; M195-G201 WeakPolarHBondContact CE-O 2.97Å
202K89.7Confident90.3Very high32 Ų3238.3 Ų38.314%0.13922%0.217CC..EExtended strand (participates in β ladder)trans-75.9133.5177.3-175.1177.2174.2165.20110D176 L271 A273D176-K202 VanDerWaalsContact OD1-CE 3.28Å; D176-K202 WeakPolarHBondContact OD1-CE 3.28Å; D176-K202 IonicContact OD1-NZ 3.26Å; D176-K202 PolarHBondContact OD1-NZ 3.23Å; D176-K202 VanDerWaalsContact OD2-CE 3.24Å; D176-K202 WeakPolarHBondContact OD2-CE 3.18Å; D176-K202 IonicContact OD2-NZ 2.73Å; D176-K202 PolarHBondContact OD2-NZ 3.43Å; K202-L271 VanDerWaalsContact CD-O 3.3Å; K202-L271 WeakPolarHBondContact CD-O 3.25Å; K202-A273 HydrophobicContact CD-CB 4.37Å
203L89.4Confident90.1Very high9 Ų938.6 Ų38.65%0.04722%0.22CC..EExtended strand (participates in β ladder)trans-94.3125.8174.7-62.8172.3000109.2V122 L177 V179 I250 W258 I267V122-L203 HydrophobicContact CG1-CD1 4.01Å; V122-L203 HydrophobicContact CG2-CD1 4.49Å; L177-L203 HydrophobicContact CB-CB 3.99Å; L177-L203 HydrophobicContact CB-CD1 4.49Å; L177-L203 PolarHBondContact O-N 2.83Å; V179-L203 HydrophobicContact CB-CD1 4.14Å; V179-L203 HydrophobicContact CB-CD2 4.41Å; V179-L203 HydrophobicContact CB-CG 4.35Å; V179-L203 HydrophobicContact CG1-CD2 4.09Å; V179-L203 HydrophobicContact CG1-CG 4.39Å; L203-I250 HydrophobicContact CD1-CD1 4.25Å; L203-I250 HydrophobicContact CD2-CD1 3.51Å; L203-W258 HydrophobicContact CD1-CB 3.9Å; L203-W258 HydrophobicContact CD1-CD2 4.27Å; L203-W258 HydrophobicContact CD1-CG 3.77Å; L203-W258 HydrophobicContact CD2-CD2 4.29Å; L203-I267 HydrophobicContact CD2-CD1 3.47Å; L203-I267 VanDerWaalsContact CD2-CD1 3.47Å; L203-I267 HydrophobicContact CD2-CG1 4.48Å
204G83.3Confident89.8Confident8 Ų842.3 Ų42.38%0.08225%0.246CC..  trans-111.5151.7173.500000111.1A264 V275G204-A264 VanDerWaalsContact O-CB 3.26Å; G204-A264 WeakPolarHBondContact O-CB 3.22Å; G204-V275 WeakPolarHBondContact O-CG2 3.23Å
205G83.7Confident89.8Confident46 Ų4641.7 Ų41.747%0.47424%0.244SC..SBendtrans59.7-168.7179.400000114.4W258G205-W258 PolarHBondContact O-NE1 3.15Å
206G89.6Confident89.9Confident42 Ų4242.1 Ų42.143%0.43325%0.246SC..SBendtrans67.7-155.2-178.400000113.7T259G206-T259 CarbonylContact C-O 3.59Å; G206-T259 WeakPolarHBondContact CA-O 3.4Å
207C93.2Very high90.3Very high33 Ų3343.9 Ų43.922%0.22325%0.248CC..EExtended strand (participates in β ladder)trans-140.7149.3178.9680000111.5W258 T259C207-W258 WeakPolarHBondContact O-CA 3.45Å; C207-T259 PolarHBondContact N-O 2.81Å; C207-T259 PolarHBondContact O-N 3.2Å; C207-T259 WeakPolarHBondContact SG-CG2 3.46Å
208L96.1Very high91Very high38 Ų3849.1 Ų49.120%0.19927%0.265CS..EExtended strand (participates in β ladder)trans-99.3127.7173.4179.676.5000109V122 L177 Y256 I257V122-L208 HydrophobicContact CG1-CD1 3.74Å; L177-L208 HydrophobicContact CD1-CB 3.97Å; L177-L208 HydrophobicContact CD2-CD1 4.39Å; L177-L208 HydrophobicContact CD2-CD2 3.96Å; L208-Y256 HydrophobicContact CD1-CG 4.44Å; L208-I257 CarbonylContact C-O 3.6Å; L208-I257 WeakPolarHBondContact CA-O 3.37Å
209L97.1Very high91.7Very high7 Ų747 Ų474%0.03725%0.248CC..EExtended strand (participates in β ladder)trans-105.5147.4166.6-5395.5000110.1Y256 I257 T259 R298 I301 L302L209-Y256 WeakPolarHBondContact O-CA 3.35Å; L209-I257 HydrophobicContact CB-CB 4.26Å; L209-I257 HydrophobicContact CD1-CB 4.28Å; L209-I257 HydrophobicContact CD1-CG2 4.07Å; L209-I257 PolarHBondContact N-O 3.13Å; L209-I257 PolarHBondContact O-N 3.41Å; L209-T259 HydrophobicContact CD1-CG2 3.72Å; L209-R298 HydrophobicContact CD1-CG 4.29Å; L209-R298 HydrophobicContact CD2-CB 4.4Å; L209-R298 HydrophobicContact CD2-CG 3.62Å; L209-R298 HydrophobicContact CG-CG 4.07Å; L209-I301 HydrophobicContact CD1-CD1 4.48Å; L209-I301 HydrophobicContact CD2-CB 4.17Å; L209-I301 HydrophobicContact CD2-CG2 3.97Å; L209-L302 HydrophobicContact CD2-CD2 3.98Å; L209-L302 HydrophobicContact CD2-CG 3.9Å
210R96.5Very high92.1Very high152 Ų15250.3 Ų50.357%0.57427%0.266SS*.EExtended strand (participates in β ladder)trans-118.2118.8173.9-61.1-176.5167169.8-9.1108.4D136 Y256D136-R210 IonicContact OD2-NH2 2.6Å; R210-Y256 HydrophobicContact CB-CD1 4.27Å; R210-Y256 HydrophobicContact CB-CE1 4.16Å; R210-Y256 HydrophobicContact CG-CD1 3.79Å; R210-Y256 HydrophobicContact CG-CE1 3.56Å; R210-Y256 PolarHBondContact NE-OH 3.34Å
211I94.8Very high92.3Very high8 Ų854.3 Ų54.34%0.04129%0.286CS..  trans-128.3160.4177.274.6162.4000109.7L215 I216 G255 I257 T305 V311I211-L215 HydrophobicContact CD1-CB 4.22Å; I211-I216 HydrophobicContact CD1-CD1 3.55Å; I211-I216 HydrophobicContact CD1-CG1 4.05Å; I211-I216 HydrophobicContact CG1-CD1 4.03Å; I211-I216 HydrophobicContact CG1-CG1 4.27Å; I211-G255 WeakPolarHBondContact CG1-O 3.43Å; I211-G255 PolarHBondContact N-O 3.22Å; I211-G255 VanDerWaalsContact O-CA 3.29Å; I211-G255 WeakPolarHBondContact O-CA 3.5Å; I211-I257 HydrophobicContact CD1-CD1 3.63Å; I211-I257 HydrophobicContact CG1-CD1 3.96Å; I211-I257 HydrophobicContact CG1-CG1 4.5Å; I211-I257 HydrophobicContact CG2-CD1 4.36Å; I211-T305 HydrophobicContact CB-CG2 3.76Å; I211-T305 HydrophobicContact CG2-CG2 3.75Å; I211-T305 WeakPolarHBondContact CG2-OG1 3.36Å; I211-V311 HydrophobicContact CD1-CB 4.16Å; I211-V311 HydrophobicContact CD1-CG2 3.91Å
212P94.5Very high92.6Very high56 Ų5654.7 Ų54.736%0.36429%0.287SS..  trans-55129.9171.7-26.134.4000111.4S214 L215P212-S214 PolarHBondContact O-N 2.76Å; P212-S214 VanDerWaalsContact O-N 3.14Å; P212-L215 HydrophobicContact CB-CD1 4.33Å; P212-L215 HydrophobicContact CB-CG 4.34Å; P212-L215 HydrophobicContact CG-CD1 4.14Å; P212-L215 PolarHBondContact O-N 2.9Å
213P94.5Very high92.7Very high21 Ų2155 Ų5514%0.13629%0.288CS..G310 helixtrans-61.1-25.6-178.322.5-32.6000112.9A111 Y113 L215 I216A111-P213 WeakPolarHBondContact O-CG 3.47Å; Y113-P213 HydrophobicContact CD2-CB 4.47Å; P213-L215 PolarHBondContact O-N 2.95Å; P213-I216 PolarHBondContact O-N 3.46Å
214S91.7Very high93Very high77 Ų7755 Ų5554%0.53829%0.288SS..G310 helixtrans-65.5-22176.252.90000114.1P212P212-S214 PolarHBondContact O-N 2.76Å; P212-S214 VanDerWaalsContact O-N 3.14Å
215L93.9Very high93.5Very high28 Ų2860.9 Ų60.915%0.14731%0.307CS..G310 helixtrans-84.3-13.4177.5-66.1177.6000112.5I211 P212 P213 K217 T305 P310 V311I211-L215 HydrophobicContact CD1-CB 4.22Å; P212-L215 HydrophobicContact CB-CD1 4.33Å; P212-L215 HydrophobicContact CB-CG 4.34Å; P212-L215 HydrophobicContact CG-CD1 4.14Å; P212-L215 PolarHBondContact O-N 2.9Å; P213-L215 PolarHBondContact O-N 2.95Å; L215-K217 PolarHBondContact O-N 2.9Å; L215-T305 HydrophobicContact CD1-CG2 3.82Å; L215-P310 CarbonylContact O-C 3.58Å; L215-P310 VanDerWaalsContact O-CA 3.27Å; L215-P310 WeakPolarHBondContact O-CA 3.46Å; L215-V311 PolarHBondContact O-N 3.45Å
216I95.2Very high94Very high10 Ų1058.9 Ų58.95%0.05129%0.285CS..BIsolated β-bridgetrans-79.3117.4175.2-59.6-72.9000109.1I211 P213 R218 L251 I257I211-I216 HydrophobicContact CD1-CD1 3.55Å; I211-I216 HydrophobicContact CD1-CG1 4.05Å; I211-I216 HydrophobicContact CG1-CD1 4.03Å; I211-I216 HydrophobicContact CG1-CG1 4.27Å; P213-I216 PolarHBondContact O-N 3.46Å; I216-R218 PolarHBondContact O-N 3.48Å; I216-L251 HydrophobicContact CD1-CD2 4.49Å; I216-I257 HydrophobicContact CD1-CD1 3.76Å; I216-I257 HydrophobicContact CD1-CG1 3.86Å
217K93.9Very high94.2Very high89 Ų8959.7 Ų59.739%0.38729%0.288SS..PPolyproline II helixtrans-71.9122.4171.9-167.9175.3179.6173.50108.9L215 Q219 V311 W312L215-K217 PolarHBondContact O-N 2.9Å; K217-Q219 PolarHBondContact O-N 2.79Å; K217-V311 PolarHBondContact N-O 3.44Å; K217-V311 VanDerWaalsContact N-O 3.13Å; K217-W312 HydrophobicContact CB-CB 3.92Å; K217-W312 HydrophobicContact CB-CE3 4.41Å; K217-W312 HydrophobicContact CD-CB 4.34Å; K217-W312 HydrophobicContact CD-CD2 3.93Å; K217-W312 HydrophobicContact CD-CE3 4.01Å; K217-W312 HydrophobicContact CD-CG 4.11Å
218R93.3Very high94.2Very high119 Ų11958.2 Ų58.245%0.44928%0.278SS..PPolyproline II helixtrans-65.4126.1173.8-69.6176.3173.5-99.8-2.8109.8N116 D119 I216N116-R218 VanDerWaalsContact ND2-CZ 3.29Å; N116-R218 PolarHBondContact ND2-NH1 2.62Å; N116-R218 PolarHBondContact ND2-NH2 3.02Å; D119-R218 IonicContact OD1-CZ 3.76Å; D119-R218 IonicContact OD1-NH1 3.93Å; D119-R218 PolarHBondContact OD1-NH1 3.3Å; D119-R218 IonicContact OD2-CZ 3.92Å; D119-R218 IonicContact OD2-NH1 3.77Å; D119-R218 PolarHBondContact OD2-NH1 3.09Å; D119-R218 IonicContact OD2-NH2 3.08Å; D119-R218 PolarHBondContact OD2-NH2 2.94Å; D119-R218 VanDerWaalsContact OD2-NH2 3.09Å; I216-R218 PolarHBondContact O-N 3.48Å
219Q93.3Very high93.9Very high63 Ų6358.5 Ų58.529%0.29428%0.282SS..  trans-135165.8-178.8-66.9-173.7-65.500110.4K217 I221 H222K217-Q219 PolarHBondContact O-N 2.79Å; Q219-I221 WeakPolarHBondContact CB-O 3.33Å; Q219-I221 PolarHBondContact O-N 3.47Å; Q219-H222 PolarHBondContact N-NE2 2.68Å; Q219-H222 PolarHBondContact O-CD2 3.03Å; Q219-H222 PolarHBondContact O-NE2 3.01Å
220K92.2Very high93.4Very high213 Ų21359.8 Ų59.893%0.92629%0.287SS*.SBendtrans-66.9-30.5174-175.2177.4179-179.40112.1
221I93.1Very high92.8Very high86 Ų8653.2 Ų53.244%0.44126%0.263SS..  trans-124.8126.4-176.7-58.9171.8000106.7Q219 R223 H224Q219-I221 WeakPolarHBondContact CB-O 3.33Å; Q219-I221 PolarHBondContact O-N 3.47Å; I221-R223 WeakPolarHBondContact CG2-O 3.49Å; I221-H224 PolarHBondContact O-CE1 3.49Å; I221-H224 PolarHBondContact O-NE2 2.92Å
222H94.5Very high92Very high11 Ų1155.9 Ų55.95%0.05128%0.277CS..  trans-1166.3179.1-81.5-97.4000112.2T120 Q219 I250 L251 C253T120-H222 HydrophobicContact CG2-CB 4.26Å; Q219-H222 PolarHBondContact N-NE2 2.68Å; Q219-H222 PolarHBondContact O-CD2 3.03Å; Q219-H222 PolarHBondContact O-NE2 3.01Å; H222-I250 CarbonylContact O-C 3.55Å; H222-I250 WeakPolarHBondContact O-CA 3.37Å; H222-L251 WeakPolarHBondContact CB-O 3.21Å; H222-L251 PolarHBondContact ND1-O 3.06Å; H222-L251 PolarHBondContact O-N 3.2Å; H222-C253 PolarHBondContact CE1-SG 3.28Å
223R93Very high91.1Very high40 Ų4056.2 Ų56.215%0.15128%0.278CS..EExtended strand (participates in β ladder)trans-124.2121.6-177.3-62.5179.7176.691.9-9.1108.1T120 V179 E181 R199 T200 I221 L249 I250T120-R223 PolarHBondContact OG1-NH1 2.87Å; V179-R223 VanDerWaalsContact CG2-NH2 3.29Å; E181-R223 IonicContact OE1-NH1 2.68Å; E181-R223 PolarHBondContact OE1-NH1 2.84Å; E181-R223 IonicContact OE1-NH2 3.54Å; R199-R223 PolarHBondContact O-NE 3.39Å; R199-R223 PolarHBondContact O-NH2 2.9Å; T200-R223 VanDerWaalsContact CG2-NH2 3.35Å; I221-R223 WeakPolarHBondContact CG2-O 3.49Å; R223-L249 WeakPolarHBondContact CA-O 3.4Å; R223-I250 HydrophobicContact CG-CG1 4.23Å; R223-I250 HydrophobicContact CG-CG2 4.28Å
224H94.4Very high90Very high9 Ų957.7 Ų57.74%0.04228%0.284CS..EExtended strand (participates in β ladder)trans-135.3137.5-171-54.4-81.7000109.8I221 L226 L249 M265 E313I221-H224 PolarHBondContact O-CE1 3.49Å; I221-H224 PolarHBondContact O-NE2 2.92Å; H224-L226 HydrophobicContact CB-CD2 3.87Å; H224-L249 HydrophobicContact CB-CB 4.39Å; H224-L249 PolarHBondContact N-O 2.7Å; H224-L249 PolarHBondContact O-N 2.79Å; H224-M265 WeakPolarHBondContact O-CE 3.21Å; H224-E313 HydrophobicContact CB-CG 4.41Å; H224-E313 IonicContact CE1-OE1 3.85Å; H224-E313 IonicContact CE1-OE2 3.56Å; H224-E313 PolarHBondContact CE1-OE2 3.09Å; H224-E313 IonicContact CG-OE1 3.39Å; H224-E313 IonicContact ND1-OE1 3.53Å; H224-E313 PolarHBondContact ND1-OE1 2.94Å; H224-E313 IonicContact ND1-OE2 2.9Å; H224-E313 PolarHBondContact ND1-OE2 2.83Å
225R94.3Very high88.9Confident131 Ų13157.9 Ų57.949%0.49428%0.279SS..EExtended strand (participates in β ladder)trans-102.6103.5168.6179.6174.1-82.4-171.3-7.6106.6A262 M265 D266R225-A262 HydrophobicContact CG-CB 3.91Å; R225-A262 PolarHBondContact NH2-O 2.95Å; R225-M265 HydrophobicContact CB-CE 4.08Å; R225-D266 IonicContact NH2-OD1 3.13Å; R225-D266 PolarHBondContact NH2-OD1 3.19Å; R225-D266 IonicContact NH2-OD2 2.69Å; R225-D266 PolarHBondContact NH2-OD2 2.97Å
226L94.9Very high87.6Confident3 Ų357.4 Ų57.42%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-85137.4-178.9-48.8-177.1000109.5H224 I228 S246 V247 L249 V297 E313 V316 L317H224-L226 HydrophobicContact CB-CD2 3.87Å; L226-I228 HydrophobicContact CB-CD1 4.04Å; L226-I228 HydrophobicContact CB-CG1 4.31Å; L226-S246 CarbonylContact O-C 3.58Å; L226-S246 WeakPolarHBondContact O-CA 3.24Å; L226-V247 PolarHBondContact N-O 2.99Å; L226-V247 PolarHBondContact O-N 2.79Å; L226-L249 HydrophobicContact CD1-CB 4.07Å; L226-L249 HydrophobicContact CD1-CD2 3.95Å; L226-L249 HydrophobicContact CD2-CD2 4.4Å; L226-L249 HydrophobicContact CG-CB 4.16Å; L226-L249 HydrophobicContact CG-CD2 4.49Å; L226-V297 HydrophobicContact CD1-CG1 4.1Å; L226-V297 HydrophobicContact CD1-CG2 4.2Å; L226-E313 HydrophobicContact CD2-CG 4.42Å; L226-V316 HydrophobicContact CD1-CG1 4.06Å; L226-L317 HydrophobicContact CB-CD2 4.07Å; L226-L317 HydrophobicContact CD1-CD2 4.48Å; L226-L317 HydrophobicContact CD2-CD1 4.35Å; L226-L317 HydrophobicContact CD2-CD2 3.78Å; L226-L317 HydrophobicContact CD2-CG 3.98Å; L226-L317 HydrophobicContact CG-CD2 4.32Å
227A94.1Very high86.2Confident59 Ų5962.1 Ų62.149%0.48831%0.313SS..EExtended strand (participates in β ladder)trans-96108.8169.700000108.7V244A227-V244 HydrophobicContact CB-CB 4.19Å; A227-V244 HydrophobicContact CB-CG1 4.47Å; A227-V244 HydrophobicContact CB-CG2 4.3Å
228I92.9Very high85Confident2 Ų259.7 Ų59.71%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-107132.7-178.4-55-58.4000108.6L226 R230 V244 I245 V247 A293 V297 C320L226-I228 HydrophobicContact CB-CD1 4.04Å; L226-I228 HydrophobicContact CB-CG1 4.31Å; I228-R230 PolarHBondContact O-N 3.4Å; I228-V244 CarbonylContact O-C 3.56Å; I228-V244 WeakPolarHBondContact O-CA 3.48Å; I228-I245 PolarHBondContact N-O 2.67Å; I228-I245 PolarHBondContact O-N 3.36Å; I228-V247 HydrophobicContact CB-CG2 4.37Å; I228-V247 HydrophobicContact CG1-CB 4.16Å; I228-V247 HydrophobicContact CG1-CG2 3.84Å; I228-A293 HydrophobicContact CB-CB 4.19Å; I228-A293 HydrophobicContact CG2-CB 4.02Å; I228-V297 HydrophobicContact CD1-CG2 3.8Å; I228-V297 HydrophobicContact CG1-CG2 3.86Å; I228-C320 HydrophobicContact CD1-CB 4.04Å
229P89.1Confident83.7Confident44 Ų4459 Ų5929%0.28631%0.313SS..EExtended strand (participates in β ladder)trans-52.7136.8175.4-26.834.9000112.2W324P229-W324 HydrophobicContact CB-CD2 3.91Å; P229-W324 HydrophobicContact CB-CE3 4.08Å; P229-W324 HydrophobicContact CB-CH2 4.06Å; P229-W324 HydrophobicContact CB-CZ2 3.86Å; P229-W324 HydrophobicContact CB-CZ3 4.17Å; P229-W324 HydrophobicContact CG-CD2 4.13Å; P229-W324 HydrophobicContact CG-CG 4.26Å
230R87.9Confident82.4Confident35 Ų3562.1 Ų62.113%0.13233%0.33CS..  trans-68139179.9-179.9173.3-174.897.611.5111I228 D232 E243 I245 S285 A289 W324I228-R230 PolarHBondContact O-N 3.4Å; R230-D232 IonicContact CZ-OD1 3.93Å; R230-D232 IonicContact NE-OD1 3.79Å; R230-D232 PolarHBondContact NE-OD1 2.68Å; R230-D232 IonicContact NE-OD2 3.73Å; R230-D232 IonicContact NH2-OD1 3.39Å; R230-D232 PolarHBondContact NH2-OD1 3.16Å; R230-E243 HydrophobicContact CB-CB 3.92Å; R230-E243 WeakPolarHBondContact CB-O 3.47Å; R230-E243 WeakPolarHBondContact CD-OE2 3.28Å; R230-E243 PolarHBondContact N-O 3.46Å; R230-E243 IonicContact NE-OE2 3.99Å; R230-I245 HydrophobicContact CB-CD1 4.35Å; R230-I245 HydrophobicContact CB-CG1 4.17Å; R230-I245 HydrophobicContact CG-CD1 4.12Å; R230-I245 HydrophobicContact CG-CG1 4.33Å; R230-S285 PolarHBondContact NH2-O 2.64Å; R230-A289 HydrophobicContact CG-CB 4.37Å; R230-W324 WeakPolarHBondContact O-CH2 3.26Å
231M82.7Confident81.4Confident14 Ų1453.7 Ų53.77%0.06930%0.298CS..  trans-140.6116.8173.5-174.5173.9-171.300109.1T233 A289 I292 R296 W324 R357M231-T233 WeakPolarHBondContact CE-O 3.39Å; M231-T233 WeakPolarHBondContact CG-O 3.35Å; M231-A289 WeakPolarHBondContact O-CA 3.3Å; M231-I292 HydrophobicContact CB-CG2 3.91Å; M231-I292 HydrophobicContact CG-CG2 4.21Å; M231-I292 WeakPolarHBondContact O-CD1 3.48Å; M231-I292 HydrophobicContact SD-CG2 4.15Å; M231-R296 PolarHBondContact SD-NH2 3.39Å; M231-W324 HydrophobicContact CB-CH2 4.16Å; M231-W324 HydrophobicContact CB-CZ3 3.96Å; M231-W324 HydrophobicContact CG-CZ3 4.4Å; M231-W324 HydrophobicContact SD-CZ3 4.11Å; M231-R357 HydrophobicContact CE-CB 4.4Å
232D77.8Confident80.7Confident64 Ų6457.4 Ų57.434%0.34232%0.319SS..SBendtrans-89.2-19.2-175.4-65.9-43.7000113.5R230R230-D232 IonicContact CZ-OD1 3.93Å; R230-D232 IonicContact NE-OD1 3.79Å; R230-D232 PolarHBondContact NE-OD1 2.68Å; R230-D232 IonicContact NE-OD2 3.73Å; R230-D232 IonicContact NH2-OD1 3.39Å; R230-D232 PolarHBondContact NH2-OD1 3.16Å
233T76.2Confident80.4Confident62 Ų6262.4 Ų62.438%0.3834%0.342SS..  trans-132.4144.5-17664.40000110.3M231 G236M231-T233 WeakPolarHBondContact CE-O 3.39Å; M231-T233 WeakPolarHBondContact CG-O 3.35Å; T233-G236 WeakPolarHBondContact OG1-CA 3.42Å; T233-G236 PolarHBondContact OG1-N 3.24Å
234L71.6Confident80.3Confident53 Ų5364.8 Ų64.828%0.27736%0.361SS..SBendtrans-74.9-40.7172.2-84.892.4000111.7I292 N356 I358L234-I292 HydrophobicContact CD1-CD1 3.7Å; L234-I292 HydrophobicContact CD1-CG1 3.86Å; L234-I292 HydrophobicContact CG-CD1 4.39Å; L234-I292 HydrophobicContact CG-CG1 4.44Å; L234-N356 WeakPolarHBondContact CD2-OD1 3.3Å; L234-I358 HydrophobicContact CD2-CD1 4.08Å; L234-I358 HydrophobicContact CG-CD1 4.11Å
235D68.7Low80.1Confident80 Ų8065.1 Ų65.143%0.42836%0.363SS..SBendtrans-115.9-2.4-168.5-55.7-37.4000113.9S354 R355 N356D235-S354 WeakPolarHBondContact OD2-CB 3.28Å; D235-R355 PolarHBondContact OD1-N 2.79Å; D235-N356 PolarHBondContact OD1-N 2.88Å
236G67Low80.1Confident19 Ų1961.3 Ų61.320%0.19636%0.356CS..SBendtrans-81.7174.6-176.600000114T233 I238 R357T233-G236 WeakPolarHBondContact OG1-CA 3.42Å; T233-G236 PolarHBondContact OG1-N 3.24Å; G236-I238 PolarHBondContact O-N 3.26Å; G236-R357 PolarHBondContact O-NH1 3.16Å
237P66.3Low80.1Confident109 Ų10961.1 Ų61.171%0.70836%0.355SS*.  trans-57.1141.1173.125.8-33.5000110T239P237-T239 PolarHBondContact O-N 3.48Å
238I68.1Low80.1Confident37 Ų3758.3 Ų58.319%0.1933%0.332CS..  trans-73.897.7176.2-59.5172.5000107.1G236 I240 W324 D327 Q328 R357G236-I238 PolarHBondContact O-N 3.26Å; I238-I240 PolarHBondContact O-N 2.96Å; I238-W324 HydrophobicContact CG2-CH2 4.36Å; I238-W324 HydrophobicContact CG2-CZ2 4.03Å; I238-D327 VanDerWaalsContact CD1-C 3.44Å; I238-D327 HydrophobicContact CD1-CB 3.89Å; I238-D327 WeakPolarHBondContact CD1-O 3.46Å; I238-Q328 HydrophobicContact CD1-CG 4.05Å; I238-Q328 HydrophobicContact CG2-CG 4.28Å; I238-R357 VanDerWaalsContact CG1-CZ 3.5Å
239T66.4Low80.2Confident105 Ų10558.2 Ų58.264%0.64433%0.332SS*.  trans-71.3114.1167.8-51.50000107.6P237 S241P237-T239 PolarHBondContact O-N 3.48Å; T239-S241 PolarHBondContact O-N 3.46Å
240I64.6Low80.6Confident129 Ų12956.1 Ų56.166%0.66232%0.318SS*.  trans-72.685.8174-55.8171.9000107.5I238I238-I240 PolarHBondContact O-N 2.96Å
241S72.3Confident81Confident36 Ų3654.5 Ų54.525%0.25231%0.312SS..  trans-94.1137166.265.20000109.3T239 E243T239-S241 PolarHBondContact O-N 3.46Å; S241-E243 PolarHBondContact O-N 2.84Å; S241-E243 VanDerWaalsContact O-N 3.14Å
242N78Confident81.7Confident163 Ų16353.8 Ų53.887%0.87231%0.308SS*.  trans-7510.3170.1-75.1-10.8000112.8
243E87.9Confident82.6Confident116 Ų11651 Ų5154%0.54229%0.294SS..  trans-75.9139.3178-64.3-170.6178.200110.9R230 S241R230-E243 HydrophobicContact CB-CB 3.92Å; R230-E243 WeakPolarHBondContact CB-O 3.47Å; R230-E243 WeakPolarHBondContact CD-OE2 3.28Å; R230-E243 PolarHBondContact N-O 3.46Å; R230-E243 IonicContact NE-OE2 3.99Å; S241-E243 PolarHBondContact O-N 2.84Å; S241-E243 VanDerWaalsContact O-N 3.14Å
244V90.7Very high83.6Confident91 Ų9148 Ų4855%0.55228%0.276SS*.EExtended strand (participates in β ladder)trans-123139.8179.6-65.30000110.4A227 I228A227-V244 HydrophobicContact CB-CB 4.19Å; A227-V244 HydrophobicContact CB-CG1 4.47Å; A227-V244 HydrophobicContact CB-CG2 4.3Å; I228-V244 CarbonylContact O-C 3.56Å; I228-V244 WeakPolarHBondContact O-CA 3.48Å
245I91.8Very high84.8Confident15 Ų1545.5 Ų45.58%0.07726%0.262CS..EExtended strand (participates in β ladder)trans-98.6128.4173.2-60.5-178000108.2I228 R230 V247 A289 E290 A293I228-I245 PolarHBondContact N-O 2.67Å; I228-I245 PolarHBondContact O-N 3.36Å; R230-I245 HydrophobicContact CB-CD1 4.35Å; R230-I245 HydrophobicContact CB-CG1 4.17Å; R230-I245 HydrophobicContact CG-CD1 4.12Å; R230-I245 HydrophobicContact CG-CG1 4.33Å; I245-V247 HydrophobicContact CG2-CG2 4.34Å; I245-V247 PolarHBondContact O-N 3.17Å; I245-A289 HydrophobicContact CD1-CB 3.57Å; I245-A289 VanDerWaalsContact CD1-O 3.23Å; I245-A289 WeakPolarHBondContact CD1-O 3.44Å; I245-E290 HydrophobicContact CG2-CB 4.28Å; I245-E290 HydrophobicContact CG2-CG 4.21Å; I245-A293 HydrophobicContact CB-CB 4.14Å; I245-A293 HydrophobicContact CD1-CB 4.25Å; I245-A293 HydrophobicContact CG2-CB 4.02Å
246S92.9Very high86.2Confident51 Ų5142.1 Ų42.136%0.35724%0.244SC..EExtended strand (participates in β ladder)trans-79.8110.3174.5-69.70000110.3L226 A262L226-S246 CarbonylContact O-C 3.58Å; L226-S246 WeakPolarHBondContact O-CA 3.24Å; S246-A262 WeakPolarHBondContact O-CB 3.48Å; S246-A262 PolarHBondContact O-N 3.1Å
247V94.5Very high87.6Confident0 Ų041.2 Ų41.20%023%0.234CC..EExtended strand (participates in β ladder)trans-102.4129.8174.5177.30000109.5L226 I228 I245 T259 A293 V294 V297L226-V247 PolarHBondContact N-O 2.99Å; L226-V247 PolarHBondContact O-N 2.79Å; I228-V247 HydrophobicContact CB-CG2 4.37Å; I228-V247 HydrophobicContact CG1-CB 4.16Å; I228-V247 HydrophobicContact CG1-CG2 3.84Å; I245-V247 HydrophobicContact CG2-CG2 4.34Å; I245-V247 PolarHBondContact O-N 3.17Å; V247-T259 WeakPolarHBondContact CG1-OG1 3.46Å; V247-A293 HydrophobicContact CG2-CB 3.66Å; V247-V294 HydrophobicContact CG1-CG2 4.12Å; V247-V294 HydrophobicContact CG2-CG2 4.3Å; V247-V297 HydrophobicContact CB-CG2 4.45Å; V247-V297 HydrophobicContact CG1-CB 4.44Å; V247-V297 HydrophobicContact CG1-CG2 4.06Å
248G94.4Very high89.1Confident0 Ų036 Ų360%020%0.201CC..EExtended strand (participates in β ladder)trans-79.2138.6170.600000112.3T259 G260 M265G248-T259 WeakPolarHBondContact O-CA 3.46Å; G248-T259 PolarHBondContact O-OG1 3.06Å; G248-T259 VanDerWaalsContact O-OG1 3.05Å; G248-G260 PolarHBondContact N-O 3.34Å; G248-G260 PolarHBondContact O-N 2.92Å; G248-G260 VanDerWaalsContact O-N 3.08Å; G248-M265 WeakPolarHBondContact CA-SD 3.45Å
249L96.1Very high90.4Very high0 Ų034.2 Ų34.20%019%0.191CC..EExtended strand (participates in β ladder)trans-135125.1175.2177.667.5000109.8R223 H224 L226 L251 I257 M265 I301 V316R223-L249 WeakPolarHBondContact CA-O 3.4Å; H224-L249 HydrophobicContact CB-CB 4.39Å; H224-L249 PolarHBondContact N-O 2.7Å; H224-L249 PolarHBondContact O-N 2.79Å; L226-L249 HydrophobicContact CD1-CB 4.07Å; L226-L249 HydrophobicContact CD1-CD2 3.95Å; L226-L249 HydrophobicContact CD2-CD2 4.4Å; L226-L249 HydrophobicContact CG-CB 4.16Å; L226-L249 HydrophobicContact CG-CD2 4.49Å; L249-L251 HydrophobicContact CD1-CD2 3.9Å; L249-L251 HydrophobicContact CD1-CG 4.47Å; L249-L251 HydrophobicContact CD2-CD1 4.32Å; L249-L251 HydrophobicContact CD2-CD2 4.03Å; L249-L251 HydrophobicContact CD2-CG 4.1Å; L249-L251 HydrophobicContact CG-CD2 4.03Å; L249-L251 HydrophobicContact CG-CG 4.09Å; L249-I257 HydrophobicContact CD1-CG2 3.59Å; L249-M265 PolarHBondContact N-SD 2.69Å; L249-M265 VanDerWaalsContact N-SD 3.44Å; L249-I301 HydrophobicContact CD1-CD1 3.8Å; L249-V316 HydrophobicContact CD2-CB 4.4Å; L249-V316 HydrophobicContact CD2-CG1 4.24Å; L249-V316 HydrophobicContact CD2-CG2 4.35Å
250I96Very high91.7Very high0 Ų029.2 Ų29.20%016%0.161CC..EExtended strand (participates in β ladder)trans-122.2114.1172.9-56.6176.7000108.3V122 V179 L203 H222 R223 I257 W258 M265V122-I250 HydrophobicContact CG2-CB 4.24Å; V122-I250 HydrophobicContact CG2-CG2 3.54Å; V179-I250 HydrophobicContact CB-CD1 4.33Å; V179-I250 HydrophobicContact CG1-CD1 4.29Å; V179-I250 HydrophobicContact CG2-CD1 4.41Å; V179-I250 HydrophobicContact CG2-CG2 3.78Å; L203-I250 HydrophobicContact CD1-CD1 4.25Å; L203-I250 HydrophobicContact CD2-CD1 3.51Å; H222-I250 CarbonylContact O-C 3.55Å; H222-I250 WeakPolarHBondContact O-CA 3.37Å; R223-I250 HydrophobicContact CG-CG1 4.23Å; R223-I250 HydrophobicContact CG-CG2 4.28Å; I250-I257 CarbonylContact O-C 3.52Å; I250-I257 VanDerWaalsContact O-CA 3.28Å; I250-I257 WeakPolarHBondContact O-CA 3.43Å; I250-I257 WeakPolarHBondContact O-CG2 3.41Å; I250-W258 HydrophobicContact CB-CB 4.38Å; I250-W258 HydrophobicContact CB-CE3 4.41Å; I250-W258 HydrophobicContact CD1-CE3 3.83Å; I250-W258 HydrophobicContact CD1-CZ3 4.37Å; I250-W258 HydrophobicContact CG1-CE3 3.87Å; I250-W258 HydrophobicContact CG1-CZ3 4.43Å; I250-W258 PolarHBondContact N-O 2.66Å; I250-W258 PolarHBondContact O-N 3.25Å; I250-M265 HydrophobicContact CD1-CG 4.31Å; I250-M265 HydrophobicContact CD1-SD 4.5Å; I250-M265 HydrophobicContact CG1-CG 4.41Å; I250-M265 HydrophobicContact CG1-SD 3.99Å
251L97.2Very high92.9Very high0 Ų023.7 Ų23.70%013%0.133CC..EExtended strand (participates in β ladder)trans-95.189.6179.6-61.9176.1000109.5I216 H222 L249 C253 I257 V311I216-L251 HydrophobicContact CD1-CD2 4.49Å; H222-L251 WeakPolarHBondContact CB-O 3.21Å; H222-L251 PolarHBondContact ND1-O 3.06Å; H222-L251 PolarHBondContact O-N 3.2Å; L249-L251 HydrophobicContact CD1-CD2 3.9Å; L249-L251 HydrophobicContact CD1-CG 4.47Å; L249-L251 HydrophobicContact CD2-CD1 4.32Å; L249-L251 HydrophobicContact CD2-CD2 4.03Å; L249-L251 HydrophobicContact CD2-CG 4.1Å; L249-L251 HydrophobicContact CG-CD2 4.03Å; L249-L251 HydrophobicContact CG-CG 4.09Å; L251-C253 PolarHBondContact O-N 3.38Å; L251-I257 HydrophobicContact CD2-CD1 3.8Å; L251-I257 HydrophobicContact CD2-CG1 3.87Å; L251-I257 HydrophobicContact CD2-CG2 3.94Å; L251-V311 HydrophobicContact CD2-CG1 3.99Å
252G97.2Very high93.7Very high0 Ų022.1 Ų22.10%012%0.123CC..  trans-65.1131.5175.300000111.3T120 N254 G255 Y256T120-G252 WeakPolarHBondContact O-CA 3.11Å; G252-N254 WeakPolarHBondContact CA-OD1 3.28Å; G252-N254 PolarHBondContact O-N 2.91Å; G252-G255 PolarHBondContact O-N 3.49Å; G252-Y256 VanDerWaalsContact CA-O 3.24Å; G252-Y256 WeakPolarHBondContact CA-O 3.5Å; G252-Y256 PolarHBondContact N-O 3.4Å
253C96.8Very high94Very high5 Ų517.5 Ų17.53%0.0349%0.093CC..THydrogen-bonded Turntrans-55.7-18.9175.9-67.70000112.9Y113 D119 T120 H222 L251 G255Y113-C253 WeakPolarHBondContact CD2-O 3.41Å; Y113-C253 HydrophobicContact CE2-CB 3.9Å; D119-C253 HydrophobicContact CB-CB 4.08Å; T120-C253 PolarHBondContact O-N 3.43Å; H222-C253 PolarHBondContact CE1-SG 3.28Å; L251-C253 PolarHBondContact O-N 3.38Å; C253-G255 VanDerWaalsContact C-N 3.31Å
254N97.1Very high93.8Very high0 Ų012 Ų120%07%0.067CC..THydrogen-bonded Turntrans-843.217866.1-40.2000115.4Y113 V121 V122 V137 N138 G252 Y256Y113-N254 HydrophobicContact CD1-CB 3.4Å; Y113-N254 VanDerWaalsContact CD2-CA 3.43Å; Y113-N254 HydrophobicContact CD2-CB 3.82Å; Y113-N254 HydrophobicContact CE1-CB 3.77Å; Y113-N254 HydrophobicContact CE2-CB 4.15Å; Y113-N254 VanDerWaalsContact CG-CA 3.46Å; Y113-N254 HydrophobicContact CG-CB 3.4Å; V121-N254 HydrophobicContact CG1-CB 4.15Å; V122-N254 PolarHBondContact N-OD1 2.88Å; V122-N254 PolarHBondContact O-ND2 2.98Å; V137-N254 VanDerWaalsContact C-ND2 3.31Å; V137-N254 WeakPolarHBondContact CA-ND2 3.37Å; V137-N254 WeakPolarHBondContact O-CB 3.39Å; V137-N254 PolarHBondContact O-ND2 3.32Å; N138-N254 PolarHBondContact ND2-O 2.95Å; G252-N254 WeakPolarHBondContact CA-OD1 3.28Å; G252-N254 PolarHBondContact O-N 2.91Å; N254-Y256 VanDerWaalsContact C-N 3.26Å; N254-Y256 PolarHBondContact O-N 2.95Å
255G96.4Very high93.3Very high0 Ų09.1 Ų9.10%05%0.048CC..SBendtrans82.31.8-177.800000113.7I211 G252 C253I211-G255 WeakPolarHBondContact CG1-O 3.43Å; I211-G255 PolarHBondContact N-O 3.22Å; I211-G255 VanDerWaalsContact O-CA 3.29Å; I211-G255 WeakPolarHBondContact O-CA 3.5Å; G252-G255 PolarHBondContact O-N 3.49Å; C253-G255 VanDerWaalsContact C-N 3.31Å
256Y97.8Very high92.3Very high8 Ų813.2 Ų13.23%0.0317%0.07CC..EExtended strand (participates in β ladder)trans-87.6115.4168.6-75.35.8000108.5V122 D136 N138 L208 L209 R210 G252 N254V122-Y256 WeakPolarHBondContact O-CB 3.32Å; V122-Y256 VanDerWaalsContact O-CD2 3.25Å; V122-Y256 WeakPolarHBondContact O-CD2 3.4Å; D136-Y256 PolarHBondContact OD1-OH 2.88Å; D136-Y256 PolarHBondContact OD2-OH 3.19Å; N138-Y256 HydrophobicContact CB-CD1 4.15Å; N138-Y256 HydrophobicContact CB-CE1 3.63Å; N138-Y256 HydrophobicContact CB-CE2 4.4Å; L208-Y256 HydrophobicContact CD1-CG 4.44Å; L209-Y256 WeakPolarHBondContact O-CA 3.35Å; R210-Y256 HydrophobicContact CB-CD1 4.27Å; R210-Y256 HydrophobicContact CB-CE1 4.16Å; R210-Y256 HydrophobicContact CG-CD1 3.79Å; R210-Y256 HydrophobicContact CG-CE1 3.56Å; R210-Y256 PolarHBondContact NE-OH 3.34Å; G252-Y256 VanDerWaalsContact CA-O 3.24Å; G252-Y256 WeakPolarHBondContact CA-O 3.5Å; G252-Y256 PolarHBondContact N-O 3.4Å; N254-Y256 VanDerWaalsContact C-N 3.26Å; N254-Y256 PolarHBondContact O-N 2.95Å
257I97.5Very high90.9Very high0 Ų011.3 Ų11.30%06%0.056CC..EExtended strand (participates in β ladder)trans-108.9132.6178.5-60.9171.3000108L208 L209 I211 I216 L249 I250 L251 I301 V311L208-I257 CarbonylContact C-O 3.6Å; L208-I257 WeakPolarHBondContact CA-O 3.37Å; L209-I257 HydrophobicContact CB-CB 4.26Å; L209-I257 HydrophobicContact CD1-CB 4.28Å; L209-I257 HydrophobicContact CD1-CG2 4.07Å; L209-I257 PolarHBondContact N-O 3.13Å; L209-I257 PolarHBondContact O-N 3.41Å; I211-I257 HydrophobicContact CD1-CD1 3.63Å; I211-I257 HydrophobicContact CG1-CD1 3.96Å; I211-I257 HydrophobicContact CG1-CG1 4.5Å; I211-I257 HydrophobicContact CG2-CD1 4.36Å; I216-I257 HydrophobicContact CD1-CD1 3.76Å; I216-I257 HydrophobicContact CD1-CG1 3.86Å; L249-I257 HydrophobicContact CD1-CG2 3.59Å; I250-I257 CarbonylContact O-C 3.52Å; I250-I257 VanDerWaalsContact O-CA 3.28Å; I250-I257 WeakPolarHBondContact O-CA 3.43Å; I250-I257 WeakPolarHBondContact O-CG2 3.41Å; L251-I257 HydrophobicContact CD2-CD1 3.8Å; L251-I257 HydrophobicContact CD2-CG1 3.87Å; L251-I257 HydrophobicContact CD2-CG2 3.94Å; I257-I301 HydrophobicContact CD1-CG2 3.66Å; I257-I301 HydrophobicContact CG2-CD1 4.17Å; I257-V311 HydrophobicContact CD1-CG1 4.13Å
258W96.5Very high88.8Confident0 Ų013.1 Ų13.10%08%0.075CC..EExtended strand (participates in β ladder)trans-108.3135.3168.2176.293.2000109.4V122 L203 G205 C207 I250 A264 M265V122-W258 HydrophobicContact CG1-CB 4.38Å; V122-W258 HydrophobicContact CG2-CB 4.47Å; L203-W258 HydrophobicContact CD1-CB 3.9Å; L203-W258 HydrophobicContact CD1-CD2 4.27Å; L203-W258 HydrophobicContact CD1-CG 3.77Å; L203-W258 HydrophobicContact CD2-CD2 4.29Å; G205-W258 PolarHBondContact O-NE1 3.15Å; C207-W258 WeakPolarHBondContact O-CA 3.45Å; I250-W258 HydrophobicContact CB-CB 4.38Å; I250-W258 HydrophobicContact CB-CE3 4.41Å; I250-W258 HydrophobicContact CD1-CE3 3.83Å; I250-W258 HydrophobicContact CD1-CZ3 4.37Å; I250-W258 HydrophobicContact CG1-CE3 3.87Å; I250-W258 HydrophobicContact CG1-CZ3 4.43Å; I250-W258 PolarHBondContact N-O 2.66Å; I250-W258 PolarHBondContact O-N 3.25Å; W258-A264 HydrophobicContact CH2-CB 3.75Å; W258-A264 HydrophobicContact CZ2-CB 3.73Å; W258-M265 HydrophobicContact CE3-CG 4.23Å; W258-M265 HydrophobicContact CH2-CG 3.78Å; W258-M265 HydrophobicContact CZ3-CG 3.28Å; W258-M265 HydrophobicContact CZ3-SD 3.98Å
259T95.9Very high86.6Confident0 Ų021.4 Ų21.40%012%0.118CC..EExtended strand (participates in β ladder)trans-136138.3169.9-176.10000110.6G206 C207 L209 V247 G248 V294 R298G206-T259 CarbonylContact C-O 3.59Å; G206-T259 WeakPolarHBondContact CA-O 3.4Å; C207-T259 PolarHBondContact N-O 2.81Å; C207-T259 PolarHBondContact O-N 3.2Å; C207-T259 WeakPolarHBondContact SG-CG2 3.46Å; L209-T259 HydrophobicContact CD1-CG2 3.72Å; V247-T259 WeakPolarHBondContact CG1-OG1 3.46Å; G248-T259 WeakPolarHBondContact O-CA 3.46Å; G248-T259 PolarHBondContact O-OG1 3.06Å; G248-T259 VanDerWaalsContact O-OG1 3.05Å; T259-V294 HydrophobicContact CG2-CG1 4.18Å; T259-R298 HydrophobicContact CG2-CB 4.3Å
260G93.7Very high84.7Confident0 Ų022.7 Ų22.70%013%0.131CC..EExtended strand (participates in β ladder)trans-173.8-169.3-174.800000112.5G248 A262G248-G260 PolarHBondContact N-O 3.34Å; G248-G260 PolarHBondContact O-N 2.92Å; G248-G260 VanDerWaalsContact O-N 3.08Å; G260-A262 PolarHBondContact O-N 2.89Å
261P90.5Very high83.3Confident13 Ų1323 Ų238%0.08413%0.132CC..EExtended strand (participates in β ladder)trans-50.3132.5171.3-30.539000111.9R263 A264 E290P261-R263 HydrophobicContact CB-CG 3.95Å; P261-R263 PolarHBondContact O-N 3.35Å; P261-A264 HydrophobicContact CB-CB 4.37Å; P261-A264 VanDerWaalsContact O-CB 3.31Å; P261-A264 WeakPolarHBondContact O-CB 3.44Å; P261-A264 PolarHBondContact O-N 3.41Å; P261-E290 WeakPolarHBondContact CA-OE1 3.46Å; P261-E290 WeakPolarHBondContact CB-OE1 3.2Å; P261-E290 HydrophobicContact CG-CG 4.35Å; P261-E290 WeakPolarHBondContact CG-OE2 3.38Å
262A89Confident81.5Confident3 Ų327.4 Ų27.43%0.02516%0.163CC..G310 helixtrans-64.9-24.2-177.700000113.8R225 S246 G260 A264 M265R225-A262 HydrophobicContact CG-CB 3.91Å; R225-A262 PolarHBondContact NH2-O 2.95Å; S246-A262 WeakPolarHBondContact O-CB 3.48Å; S246-A262 PolarHBondContact O-N 3.1Å; G260-A262 PolarHBondContact O-N 2.89Å; A262-A264 PolarHBondContact O-N 3.04Å; A262-M265 HydrophobicContact CB-CE 4.36Å; A262-M265 PolarHBondContact O-N 2.7Å
263R84Confident79.5Confident66 Ų6628.9 Ų28.925%0.24918%0.175CC..G310 helixtrans-62.7-28.6171.864.4-178.6174.2-71.4-9112.8P261 M265 D266 E290P261-R263 HydrophobicContact CB-CG 3.95Å; P261-R263 PolarHBondContact O-N 3.35Å; R263-M265 PolarHBondContact O-N 3.38Å; R263-D266 PolarHBondContact O-N 2.92Å; R263-E290 IonicContact CZ-OE1 2.83Å; R263-E290 IonicContact CZ-OE2 3.06Å; R263-E290 VanDerWaalsContact CZ-OE2 3.26Å; R263-E290 IonicContact NH1-OE1 3.27Å; R263-E290 PolarHBondContact NH1-OE1 3.42Å; R263-E290 IonicContact NH1-OE2 2.78Å; R263-E290 PolarHBondContact NH1-OE2 2.72Å; R263-E290 IonicContact NH2-OE1 3.44Å; R263-E290 IonicContact NH2-OE2 3.74Å; R263-E290 PolarHBondContact NH2-OE2 2.83Å
264A82.8Confident77.6Confident0 Ų030.9 Ų30.90%019%0.188CC..G310 helixtrans-73.1-12.9178.900000113.3G204 W258 P261 A262 V275G204-A264 VanDerWaalsContact O-CB 3.26Å; G204-A264 WeakPolarHBondContact O-CB 3.22Å; W258-A264 HydrophobicContact CH2-CB 3.75Å; W258-A264 HydrophobicContact CZ2-CB 3.73Å; P261-A264 HydrophobicContact CB-CB 4.37Å; P261-A264 VanDerWaalsContact O-CB 3.31Å; P261-A264 WeakPolarHBondContact O-CB 3.44Å; P261-A264 PolarHBondContact O-N 3.41Å; A262-A264 PolarHBondContact O-N 3.04Å; A264-V275 HydrophobicContact CB-CG2 3.37Å
265M80.7Confident75.6Confident30 Ų3031.4 Ų31.415%0.14819%0.192CC..G310 helixtrans-87.8-11.5172.3-64.8-167.5-54.400114H224 R225 G248 L249 I250 W258 A262 R263 I267H224-M265 WeakPolarHBondContact O-CE 3.21Å; R225-M265 HydrophobicContact CB-CE 4.08Å; G248-M265 WeakPolarHBondContact CA-SD 3.45Å; L249-M265 PolarHBondContact N-SD 2.69Å; L249-M265 VanDerWaalsContact N-SD 3.44Å; I250-M265 HydrophobicContact CD1-CG 4.31Å; I250-M265 HydrophobicContact CD1-SD 4.5Å; I250-M265 HydrophobicContact CG1-CG 4.41Å; I250-M265 HydrophobicContact CG1-SD 3.99Å; W258-M265 HydrophobicContact CE3-CG 4.23Å; W258-M265 HydrophobicContact CH2-CG 3.78Å; W258-M265 HydrophobicContact CZ3-CG 3.28Å; W258-M265 HydrophobicContact CZ3-SD 3.98Å; A262-M265 HydrophobicContact CB-CE 4.36Å; A262-M265 PolarHBondContact O-N 2.7Å; R263-M265 PolarHBondContact O-N 3.38Å; M265-I267 WeakPolarHBondContact O-CD1 3.46Å; M265-I267 VanDerWaalsContact O-CG1 3.27Å; M265-I267 WeakPolarHBondContact O-CG1 3.49Å; M265-I267 PolarHBondContact O-N 3.05Å
266D71.4Confident73.7Confident102 Ų10239 Ų3955%0.54523%0.227SC..  trans-7766.6179.7-64.2-29.5000108.8R225 R263 G268R225-D266 IonicContact NH2-OD1 3.13Å; R225-D266 PolarHBondContact NH2-OD1 3.19Å; R225-D266 IonicContact NH2-OD2 2.69Å; R225-D266 PolarHBondContact NH2-OD2 2.97Å; R263-D266 PolarHBondContact O-N 2.92Å; D266-G268 PolarHBondContact O-N 3.14Å
267I62.6Low71.6Confident11 Ų1142.2 Ų42.26%0.05626%0.255CS..  trans-83.56.6-166.6-65.7156.9000111.7V179 T200 L203 M265 L269V179-I267 HydrophobicContact CG1-CD1 3.78Å; T200-I267 VanDerWaalsContact C-CG2 3.47Å; T200-I267 VanDerWaalsContact O-CG2 3.3Å; T200-I267 WeakPolarHBondContact O-CG2 3.46Å; L203-I267 HydrophobicContact CD2-CD1 3.47Å; L203-I267 VanDerWaalsContact CD2-CD1 3.47Å; L203-I267 HydrophobicContact CD2-CG1 4.48Å; M265-I267 WeakPolarHBondContact O-CD1 3.46Å; M265-I267 VanDerWaalsContact O-CG1 3.27Å; M265-I267 WeakPolarHBondContact O-CG1 3.49Å; M265-I267 PolarHBondContact O-N 3.05Å; I267-L269 VanDerWaalsContact C-N 3.28Å; I267-L269 PolarHBondContact O-N 3.4Å
268G50.9Low69.7Low38 Ų3845.9 Ų45.939%0.39228%0.275SS..THydrogen-bonded Turntrans-70.4-3.3-164.300000118G197 D266G197-G268 WeakPolarHBondContact O-CA 3.44Å; D266-G268 PolarHBondContact O-N 3.14Å
269L48.5Very low68Low174 Ų17449.3 Ų49.391%0.91129%0.293SS*.THydrogen-bonded Turntrans-137.61.1-168.6-72.8168.7000116.3I267I267-L269 VanDerWaalsContact C-N 3.28Å; I267-L269 PolarHBondContact O-N 3.4Å
270G56.6Low66.3Low26 Ų2656.4 Ų56.427%0.26833%0.33SS..  trans-178.1157.517700000115.8
271L65.7Low64.9Low7 Ų762 Ų624%0.03737%0.365CS..SBendtrans-78.4-3.4166-64.9170000112.1V150 L152 F171 M172 M195 K202V150-L271 HydrophobicContact CG1-CD1 3.65Å; V150-L271 HydrophobicContact CG1-CD2 3.91Å; V150-L271 HydrophobicContact CG1-CG 4.33Å; L152-L271 HydrophobicContact CD2-CD1 3.68Å; F171-L271 HydrophobicContact CB-CB 4.21Å; F171-L271 HydrophobicContact CB-CD1 3.72Å; F171-L271 HydrophobicContact CD1-CB 4.41Å; F171-L271 HydrophobicContact CD1-CD1 4.04Å; F171-L271 HydrophobicContact CG-CD1 3.93Å; M172-L271 HydrophobicContact CE-CD2 4.4Å; M172-L271 HydrophobicContact SD-CD2 4.14Å; M195-L271 HydrophobicContact CE-CD2 4.31Å; K202-L271 VanDerWaalsContact CD-O 3.3Å; K202-L271 WeakPolarHBondContact CD-O 3.25Å
272S59.3Low63.9Low93 Ų9362.8 Ų62.865%0.6537%0.372SS*.SBendtrans-74.1126.2170.2-54.10000108.9P274S272-P274 VanDerWaalsContact O-CD 3.28Å; S272-P274 WeakPolarHBondContact O-CD 3.43Å
273A55.5Low63.5Low30 Ų3068.3 Ų68.325%0.24840%0.402CS..  trans-62.2118177.600000109.2K202 V275K202-A273 HydrophobicContact CD-CB 4.37Å; A273-V275 PolarHBondContact O-N 3.31Å
274P56.5Low63.5Low47 Ų4773.5 Ų73.531%0.30543%0.429SS..THydrogen-bonded Turntrans-66.1-15.1-172.515.7-22.1000113.6S272 E276S272-P274 VanDerWaalsContact O-CD 3.28Å; S272-P274 WeakPolarHBondContact O-CD 3.43Å; P274-E276 PolarHBondContact O-N 2.93Å
275V56.5Low63.5Low12 Ų1276.7 Ų76.77%0.07345%0.451CS..Hα-helixtrans-78-22.5-166.2-173.80000113.8G204 A264 A273 A277 L279G204-V275 WeakPolarHBondContact O-CG2 3.23Å; A264-V275 HydrophobicContact CB-CG2 3.37Å; A273-V275 PolarHBondContact O-N 3.31Å; V275-A277 VanDerWaalsContact C-N 3.33Å; V275-A277 PolarHBondContact O-N 3.49Å; V275-L279 HydrophobicContact CG1-CD1 4.45Å; V275-L279 WeakPolarHBondContact O-CG 3.49Å
276E56.9Low63.7Low159 Ų15980.5 Ų80.574%0.74347%0.468SS*.Hα-helixtrans-73.5-24.3-175.8-64.7-163.1175.100113.6P274P274-E276 PolarHBondContact O-N 2.93Å
277A52Low64.4Low75 Ų7577 Ų7762%0.6245%0.449SS*.Hα-helixtrans-76.3-36.5-176.900000113.4V275V275-A277 VanDerWaalsContact C-N 3.33Å; V275-A277 PolarHBondContact O-N 3.49Å
278D57.6Low65.7Low77 Ų7780.1 Ų80.141%0.41247%0.466SS..Hα-helixtrans-88-11.4-171.3-68.5-17.1000114N280 T281 A282D278-N280 PolarHBondContact O-N 2.93Å; D278-T281 PolarHBondContact O-N 3.41Å; D278-T281 PolarHBondContact O-OG1 3.47Å; D278-A282 PolarHBondContact O-N 3.09Å
279L62.6Low67.5Low72 Ų7278.3 Ų78.338%0.37745%0.448SS..THydrogen-bonded Turntrans-67.6-23.8-179.6-70.5172.2000112.7V275 T281 L287V275-L279 HydrophobicContact CG1-CD1 4.45Å; V275-L279 WeakPolarHBondContact O-CG 3.49Å; L279-T281 VanDerWaalsContact C-N 3.32Å; L279-L287 HydrophobicContact CD2-CD1 4.44Å; L279-L287 HydrophobicContact CD2-CD2 4.01Å
280N60.2Low69.5Low149 Ų14971.1 Ų71.180%0.79741%0.409SS*.THydrogen-bonded Turntrans-80.4-12.9-177.8-67.9-25.3000113.6D278D278-N280 PolarHBondContact O-N 2.93Å
281T63.5Low71.2Confident117 Ų11777.5 Ų77.572%0.71843%0.425SS*.THydrogen-bonded Turntrans-113-14.5-176.142.60000113.7D278 L279D278-T281 PolarHBondContact O-N 3.41Å; D278-T281 PolarHBondContact O-OG1 3.47Å; L279-T281 VanDerWaalsContact C-N 3.32Å
282A69.1Low72.4Confident30 Ų3077.5 Ų77.525%0.24843%0.425CS..SBendtrans-81.5135.9-176.500000112.4D278 L287D278-A282 PolarHBondContact O-N 3.09Å; A282-L287 HydrophobicContact CB-CD1 4.09Å; A282-L287 HydrophobicContact CB-CD2 3.78Å; A282-L287 HydrophobicContact CB-CG 3.8Å
283N80.9Confident74Confident120 Ų12073.1 Ų73.164%0.64240%0.395SS*.  trans-64138.6173.9-71.7-24.3000110.3S285 E286 L287N283-S285 PolarHBondContact O-N 3.15Å; N283-S285 VanDerWaalsContact O-N 3.15Å; N283-E286 HydrophobicContact CB-CB 4.44Å; N283-E286 WeakPolarHBondContact O-CB 3.23Å; N283-E286 PolarHBondContact O-N 3.26Å; N283-L287 PolarHBondContact O-N 3.05Å; N283-L287 VanDerWaalsContact O-N 3.15Å
284E83.6Confident75.9Confident175 Ų17572.3 Ų72.382%0.81839%0.386SS*.Hα-helixtrans-54.8-38-178.2-66.4-175.115800113.1E286 L287 L288E284-E286 VanDerWaalsContact C-N 3.34Å; E284-E286 PolarHBondContact O-N 2.89Å; E284-L287 PolarHBondContact O-N 3.39Å; E284-L288 WeakPolarHBondContact O-CB 3.4Å; E284-L288 PolarHBondContact O-N 3.05Å
285S83.7Confident77.7Confident67 Ų6772.6 Ų72.647%0.46939%0.389SS..Hα-helixtrans-63.4-37176.3177.30000112.8R230 N283 L288 A289R230-S285 PolarHBondContact NH2-O 2.64Å; N283-S285 PolarHBondContact O-N 3.15Å; N283-S285 VanDerWaalsContact O-N 3.15Å; S285-L288 PolarHBondContact O-N 2.89Å; S285-A289 WeakPolarHBondContact O-CB 3.45Å; S285-A289 PolarHBondContact O-N 3.23Å
286E85.3Confident79.5Confident109 Ų10972.2 Ų72.251%0.50939%0.386SS..Hα-helixtrans-69.3-42.6176.9-170176.2-178.800111.3N283 E284 L288 A289 E290N283-E286 HydrophobicContact CB-CB 4.44Å; N283-E286 WeakPolarHBondContact O-CB 3.23Å; N283-E286 PolarHBondContact O-N 3.26Å; E284-E286 VanDerWaalsContact C-N 3.34Å; E284-E286 PolarHBondContact O-N 2.89Å; E286-L288 VanDerWaalsContact C-N 3.33Å; E286-L288 PolarHBondContact O-N 3.38Å; E286-A289 PolarHBondContact O-N 2.94Å; E286-E290 WeakPolarHBondContact O-CB 3.32Å; E286-E290 PolarHBondContact O-N 2.94Å
287L86.2Confident81.4Confident28 Ų2864.6 Ų64.615%0.14735%0.351CS..Hα-helixtrans-63.7-37.9175-66.7176.2000112.1L279 A282 N283 E284 R291L279-L287 HydrophobicContact CD2-CD1 4.44Å; L279-L287 HydrophobicContact CD2-CD2 4.01Å; A282-L287 HydrophobicContact CB-CD1 4.09Å; A282-L287 HydrophobicContact CB-CD2 3.78Å; A282-L287 HydrophobicContact CB-CG 3.8Å; N283-L287 PolarHBondContact O-N 3.05Å; N283-L287 VanDerWaalsContact O-N 3.15Å; E284-L287 PolarHBondContact O-N 3.39Å; L287-R291 VanDerWaalsContact O-CG 3.23Å; L287-R291 WeakPolarHBondContact O-CG 3.45Å; L287-R291 PolarHBondContact O-N 3.35Å
288L88Confident83.5Confident78 Ų7865.3 Ų65.341%0.40834%0.338SS..Hα-helixtrans-65-49.8176.6179.161.9000111.2E284 S285 E286 E290 R291 I292E284-L288 WeakPolarHBondContact O-CB 3.4Å; E284-L288 PolarHBondContact O-N 3.05Å; S285-L288 PolarHBondContact O-N 2.89Å; E286-L288 VanDerWaalsContact C-N 3.33Å; E286-L288 PolarHBondContact O-N 3.38Å; L288-E290 VanDerWaalsContact C-N 3.27Å; L288-E290 PolarHBondContact O-N 2.76Å; L288-R291 WeakPolarHBondContact O-CB 3.2Å; L288-R291 PolarHBondContact O-N 2.99Å; L288-R291 VanDerWaalsContact O-N 3.15Å; L288-I292 HydrophobicContact CD1-CD1 4.33Å; L288-I292 HydrophobicContact CG-CD1 4.08Å; L288-I292 WeakPolarHBondContact O-CG1 3.35Å; L288-I292 PolarHBondContact O-N 2.9Å
289A89.9Confident85.3Confident0 Ų062.1 Ų62.10%032%0.32CS..Hα-helixtrans-61-38.8179.300000111.3R230 M231 I245 S285 E286 I292 A293R230-A289 HydrophobicContact CG-CB 4.37Å; M231-A289 WeakPolarHBondContact O-CA 3.3Å; I245-A289 HydrophobicContact CD1-CB 3.57Å; I245-A289 VanDerWaalsContact CD1-O 3.23Å; I245-A289 WeakPolarHBondContact CD1-O 3.44Å; S285-A289 WeakPolarHBondContact O-CB 3.45Å; S285-A289 PolarHBondContact O-N 3.23Å; E286-A289 PolarHBondContact O-N 2.94Å; A289-I292 PolarHBondContact O-N 3.03Å; A289-A293 PolarHBondContact O-N 2.95Å
290E90.1Very high86.9Confident22 Ų2258.7 Ų58.710%0.10330%0.302CS..Hα-helixtrans-64.1-43.2174.8-176.4173.7-12500112.5I245 P261 R263 E286 L288 I292 A293 V294I245-E290 HydrophobicContact CG2-CB 4.28Å; I245-E290 HydrophobicContact CG2-CG 4.21Å; P261-E290 WeakPolarHBondContact CA-OE1 3.46Å; P261-E290 WeakPolarHBondContact CB-OE1 3.2Å; P261-E290 HydrophobicContact CG-CG 4.35Å; P261-E290 WeakPolarHBondContact CG-OE2 3.38Å; R263-E290 IonicContact CZ-OE1 2.83Å; R263-E290 IonicContact CZ-OE2 3.06Å; R263-E290 VanDerWaalsContact CZ-OE2 3.26Å; R263-E290 IonicContact NH1-OE1 3.27Å; R263-E290 PolarHBondContact NH1-OE1 3.42Å; R263-E290 IonicContact NH1-OE2 2.78Å; R263-E290 PolarHBondContact NH1-OE2 2.72Å; R263-E290 IonicContact NH2-OE1 3.44Å; R263-E290 IonicContact NH2-OE2 3.74Å; R263-E290 PolarHBondContact NH2-OE2 2.83Å; E286-E290 WeakPolarHBondContact O-CB 3.32Å; E286-E290 PolarHBondContact O-N 2.94Å; L288-E290 VanDerWaalsContact C-N 3.27Å; L288-E290 PolarHBondContact O-N 2.76Å; E290-I292 VanDerWaalsContact C-N 3.32Å; E290-I292 PolarHBondContact O-N 3.36Å; E290-A293 PolarHBondContact O-N 3.11Å; E290-V294 HydrophobicContact CG-CG2 4.5Å; E290-V294 VanDerWaalsContact O-CG2 3.32Å; E290-V294 WeakPolarHBondContact O-CG2 3.28Å; E290-V294 PolarHBondContact O-N 2.7Å
291R91.5Very high88.7Confident160 Ų16051.6 Ų51.660%0.60426%0.264SS*.Hα-helixtrans-61.2-41.8175.3-74170.7-171.8-80.51.5111.6L287 L288 V294 C295L287-R291 VanDerWaalsContact O-CG 3.23Å; L287-R291 WeakPolarHBondContact O-CG 3.45Å; L287-R291 PolarHBondContact O-N 3.35Å; L288-R291 WeakPolarHBondContact O-CB 3.2Å; L288-R291 PolarHBondContact O-N 2.99Å; L288-R291 VanDerWaalsContact O-N 3.15Å; R291-V294 PolarHBondContact O-N 3.08Å; R291-C295 WeakPolarHBondContact O-CB 3.31Å; R291-C295 PolarHBondContact O-N 2.9Å; R291-C295 PolarHBondContact O-SG 2.89Å
292I91.6Very high90.2Very high7 Ų747.4 Ų47.44%0.03624%0.238CC..Hα-helixtrans-58.8-47.5175.6-73.8166.4000110.5M231 L234 L288 A289 E290 C295 R296 I358M231-I292 HydrophobicContact CB-CG2 3.91Å; M231-I292 HydrophobicContact CG-CG2 4.21Å; M231-I292 WeakPolarHBondContact O-CD1 3.48Å; M231-I292 HydrophobicContact SD-CG2 4.15Å; L234-I292 HydrophobicContact CD1-CD1 3.7Å; L234-I292 HydrophobicContact CD1-CG1 3.86Å; L234-I292 HydrophobicContact CG-CD1 4.39Å; L234-I292 HydrophobicContact CG-CG1 4.44Å; L288-I292 HydrophobicContact CD1-CD1 4.33Å; L288-I292 HydrophobicContact CG-CD1 4.08Å; L288-I292 WeakPolarHBondContact O-CG1 3.35Å; L288-I292 PolarHBondContact O-N 2.9Å; A289-I292 PolarHBondContact O-N 3.03Å; E290-I292 VanDerWaalsContact C-N 3.32Å; E290-I292 PolarHBondContact O-N 3.36Å; I292-C295 PolarHBondContact O-N 2.89Å; I292-R296 WeakPolarHBondContact O-CB 3.45Å; I292-R296 PolarHBondContact O-N 2.92Å; I292-I358 HydrophobicContact CB-CD1 4.03Å; I292-I358 HydrophobicContact CG1-CD1 3.97Å; I292-I358 HydrophobicContact CG2-CD1 3.58Å; I292-I358 HydrophobicContact CG2-CG1 4.48Å
293A93.1Very high91.5Very high2 Ų246.1 Ų46.12%0.01723%0.227CC..Hα-helixtrans-62.1-45.5178.500000112.3I228 I245 V247 A289 E290 C295 R296 V297I228-A293 HydrophobicContact CB-CB 4.19Å; I228-A293 HydrophobicContact CG2-CB 4.02Å; I245-A293 HydrophobicContact CB-CB 4.14Å; I245-A293 HydrophobicContact CD1-CB 4.25Å; I245-A293 HydrophobicContact CG2-CB 4.02Å; V247-A293 HydrophobicContact CG2-CB 3.66Å; A289-A293 PolarHBondContact O-N 2.95Å; E290-A293 PolarHBondContact O-N 3.11Å; A293-C295 PolarHBondContact O-N 2.8Å; A293-R296 PolarHBondContact O-N 3.35Å; A293-V297 WeakPolarHBondContact O-CG2 3.35Å; A293-V297 PolarHBondContact O-N 2.87Å; A293-V297 VanDerWaalsContact O-N 3.09Å
294V94.6Very high92.2Very high12 Ų1240.4 Ų40.47%0.07320%0.197CC..Hα-helixtrans-61.2-43.8176.1173.60000111.2V247 T259 E290 R291 R296 V297 R298V247-V294 HydrophobicContact CG1-CG2 4.12Å; V247-V294 HydrophobicContact CG2-CG2 4.3Å; T259-V294 HydrophobicContact CG2-CG1 4.18Å; E290-V294 HydrophobicContact CG-CG2 4.5Å; E290-V294 VanDerWaalsContact O-CG2 3.32Å; E290-V294 WeakPolarHBondContact O-CG2 3.28Å; E290-V294 PolarHBondContact O-N 2.7Å; R291-V294 PolarHBondContact O-N 3.08Å; V294-R296 PolarHBondContact O-N 3.1Å; V294-V297 PolarHBondContact O-N 3.35Å; V294-R298 WeakPolarHBondContact O-CB 3.25Å; V294-R298 PolarHBondContact O-N 2.89Å
295C94.3Very high92.8Very high54 Ų5433.1 Ų33.137%0.36516%0.164SC..Hα-helixtrans-64.6-38.1177.9-750000112.6R291 I292 A293 R298 N299 I358R291-C295 WeakPolarHBondContact O-CB 3.31Å; R291-C295 PolarHBondContact O-N 2.9Å; R291-C295 PolarHBondContact O-SG 2.89Å; I292-C295 PolarHBondContact O-N 2.89Å; A293-C295 PolarHBondContact O-N 2.8Å; C295-R298 WeakPolarHBondContact O-CB 3.45Å; C295-R298 PolarHBondContact O-N 2.72Å; C295-N299 WeakPolarHBondContact O-CB 3.39Å; C295-N299 VanDerWaalsContact O-CG 3.3Å; C295-N299 PolarHBondContact O-N 2.8Å; C295-N299 PolarHBondContact O-OD1 2.93Å; C295-I358 HydrophobicContact CB-CG2 3.94Å
296R94.2Very high93.3Very high3 Ų337.2 Ų37.21%0.01118%0.175CC..Hα-helixtrans-62.9-47.9175.2-175.9-178.9-68.5-108.90.4111.3M231 I292 A293 V294 R298 N299 C300 S323 D327 L361M231-R296 PolarHBondContact SD-NH2 3.39Å; I292-R296 WeakPolarHBondContact O-CB 3.45Å; I292-R296 PolarHBondContact O-N 2.92Å; A293-R296 PolarHBondContact O-N 3.35Å; V294-R296 PolarHBondContact O-N 3.1Å; R296-R298 VanDerWaalsContact C-N 3.34Å; R296-R298 PolarHBondContact O-N 2.84Å; R296-N299 PolarHBondContact O-N 3.37Å; R296-C300 WeakPolarHBondContact O-CB 3.43Å; R296-C300 PolarHBondContact O-N 2.87Å; R296-C300 PolarHBondContact O-SG 2.7Å; R296-S323 PolarHBondContact NH1-OG 2.81Å; R296-D327 IonicContact CZ-OD2 3.65Å; R296-D327 IonicContact NH1-OD2 2.73Å; R296-D327 PolarHBondContact NH1-OD2 2.98Å; R296-D327 IonicContact NH2-OD2 3.1Å; R296-D327 PolarHBondContact NH2-OD2 3.43Å; R296-L361 HydrophobicContact CG-CD1 4.3Å
297V96.5Very high93.7Very high0 Ų034.6 Ų34.60%017%0.165CC..Hα-helixtrans-58.8-47.2175.8172.90000110.5L226 I228 V247 A293 V294 N299 C300 I301 V316L226-V297 HydrophobicContact CD1-CG1 4.1Å; L226-V297 HydrophobicContact CD1-CG2 4.2Å; I228-V297 HydrophobicContact CD1-CG2 3.8Å; I228-V297 HydrophobicContact CG1-CG2 3.86Å; V247-V297 HydrophobicContact CB-CG2 4.45Å; V247-V297 HydrophobicContact CG1-CB 4.44Å; V247-V297 HydrophobicContact CG1-CG2 4.06Å; A293-V297 WeakPolarHBondContact O-CG2 3.35Å; A293-V297 PolarHBondContact O-N 2.87Å; A293-V297 VanDerWaalsContact O-N 3.09Å; V294-V297 PolarHBondContact O-N 3.35Å; V297-N299 PolarHBondContact O-N 2.86Å; V297-C300 PolarHBondContact O-N 2.89Å; V297-I301 HydrophobicContact CG1-CD1 3.8Å; V297-I301 WeakPolarHBondContact O-CD1 3.42Å; V297-I301 VanDerWaalsContact O-CG1 3.3Å; V297-I301 WeakPolarHBondContact O-CG1 3.38Å; V297-I301 PolarHBondContact O-N 3.25Å; V297-V316 HydrophobicContact CG1-CG1 4.04Å
298R96.5Very high94Very high90 Ų9035.5 Ų35.534%0.3418%0.181SC..Hα-helixtrans-54.4-50.1176-179.5-165.4174.3-90.81.6111.7L209 T259 V294 C295 R296 I301 L302L209-R298 HydrophobicContact CD1-CG 4.29Å; L209-R298 HydrophobicContact CD2-CB 4.4Å; L209-R298 HydrophobicContact CD2-CG 3.62Å; L209-R298 HydrophobicContact CG-CG 4.07Å; T259-R298 HydrophobicContact CG2-CB 4.3Å; V294-R298 WeakPolarHBondContact O-CB 3.25Å; V294-R298 PolarHBondContact O-N 2.89Å; C295-R298 WeakPolarHBondContact O-CB 3.45Å; C295-R298 PolarHBondContact O-N 2.72Å; R296-R298 VanDerWaalsContact C-N 3.34Å; R296-R298 PolarHBondContact O-N 2.84Å; R298-I301 PolarHBondContact O-N 3.48Å; R298-L302 WeakPolarHBondContact O-CG 3.3Å; R298-L302 PolarHBondContact O-N 3.01Å
299N96Very high94.3Very high9 Ų932.6 Ų32.65%0.04817%0.166CC..Hα-helixtrans-70.5-35.1-176.5-69.71.2000112C295 R296 V297 I301 L302 A303 I358 L361 L362C295-N299 WeakPolarHBondContact O-CB 3.39Å; C295-N299 VanDerWaalsContact O-CG 3.3Å; C295-N299 PolarHBondContact O-N 2.8Å; C295-N299 PolarHBondContact O-OD1 2.93Å; R296-N299 PolarHBondContact O-N 3.37Å; V297-N299 PolarHBondContact O-N 2.86Å; N299-I301 PolarHBondContact O-N 3.46Å; N299-L302 PolarHBondContact O-N 2.88Å; N299-A303 WeakPolarHBondContact O-CB 2.96Å; N299-A303 PolarHBondContact O-N 3.45Å; N299-I358 WeakPolarHBondContact ND2-CG2 3.3Å; N299-I358 PolarHBondContact ND2-O 3.2Å; N299-L361 HydrophobicContact CB-CB 4.01Å; N299-L361 HydrophobicContact CB-CD1 4.28Å; N299-L362 HydrophobicContact CB-CD2 4Å; N299-L362 HydrophobicContact CB-CG 4.42Å
300C96.1Very high94.4Very high0 Ų035.2 Ų35.20%018%0.183CC..Hα-helixtrans-60.6-44171.4-69.10000111.6R296 V297 L302 A303 L304 A319R296-C300 WeakPolarHBondContact O-CB 3.43Å; R296-C300 PolarHBondContact O-N 2.87Å; R296-C300 PolarHBondContact O-SG 2.7Å; V297-C300 PolarHBondContact O-N 2.89Å; C300-L302 VanDerWaalsContact C-N 3.33Å; C300-L302 PolarHBondContact O-N 3.35Å; C300-A303 PolarHBondContact O-N 3.03Å; C300-L304 VanDerWaalsContact O-CG 3.27Å; C300-L304 WeakPolarHBondContact O-CG 3.33Å; C300-L304 PolarHBondContact O-N 3.35Å; C300-A319 HydrophobicContact CB-CB 3.87Å
301I97.1Very high94.8Very high0 Ų034.2 Ų34.20%018%0.178CC..Hα-helixtrans-61.9-42.2176.9-67.6161.2000111.1L209 L249 I257 V297 R298 N299 L304 T305 V311 V316L209-I301 HydrophobicContact CD1-CD1 4.48Å; L209-I301 HydrophobicContact CD2-CB 4.17Å; L209-I301 HydrophobicContact CD2-CG2 3.97Å; L249-I301 HydrophobicContact CD1-CD1 3.8Å; I257-I301 HydrophobicContact CD1-CG2 3.66Å; I257-I301 HydrophobicContact CG2-CD1 4.17Å; V297-I301 HydrophobicContact CG1-CD1 3.8Å; V297-I301 WeakPolarHBondContact O-CD1 3.42Å; V297-I301 VanDerWaalsContact O-CG1 3.3Å; V297-I301 WeakPolarHBondContact O-CG1 3.38Å; V297-I301 PolarHBondContact O-N 3.25Å; R298-I301 PolarHBondContact O-N 3.48Å; N299-I301 PolarHBondContact O-N 3.46Å; I301-L304 PolarHBondContact O-N 3.15Å; I301-T305 WeakPolarHBondContact O-CB 3.3Å; I301-T305 PolarHBondContact O-N 3.48Å; I301-T305 PolarHBondContact O-OG1 3.13Å; I301-V311 HydrophobicContact CG2-CG1 4.42Å; I301-V316 HydrophobicContact CD1-CG1 4.42Å; I301-V316 HydrophobicContact CG1-CG1 4.08Å; I301-V316 HydrophobicContact CG1-CG2 3.9Å
302L96.8Very high95Very high30 Ų3027.7 Ų27.716%0.15715%0.153CC..Hα-helixtrans-63.2-46175.5-69.3175.8000111.5L209 R298 N299 C300 L304 T305 H306 L362L209-L302 HydrophobicContact CD2-CD2 3.98Å; L209-L302 HydrophobicContact CD2-CG 3.9Å; R298-L302 WeakPolarHBondContact O-CG 3.3Å; R298-L302 PolarHBondContact O-N 3.01Å; N299-L302 PolarHBondContact O-N 2.88Å; C300-L302 VanDerWaalsContact C-N 3.33Å; C300-L302 PolarHBondContact O-N 3.35Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L302-L304 PolarHBondContact O-N 3.39Å; L302-T305 PolarHBondContact O-N 3.26Å; L302-T305 VanDerWaalsContact O-N 3.16Å; L302-H306 WeakPolarHBondContact O-CB 3.47Å; L302-H306 PolarHBondContact O-CD2 2.94Å; L302-H306 PolarHBondContact O-N 3.33Å; L302-L362 HydrophobicContact CB-CD2 4.33Å; L302-L362 HydrophobicContact CD1-CD2 3.89Å
303A95.6Very high95.1Very high3 Ų330.4 Ų30.43%0.02517%0.166CC..Hα-helixtrans-57.9-44.8177.400000112.1N299 C300 N307 A367 L370 V371N299-A303 WeakPolarHBondContact O-CB 2.96Å; N299-A303 PolarHBondContact O-N 3.45Å; C300-A303 PolarHBondContact O-N 3.03Å; A303-N307 PolarHBondContact O-N 3.2Å; A303-N307 PolarHBondContact O-ND2 3.05Å; A303-A367 HydrophobicContact CB-CB 3.73Å; A303-L370 HydrophobicContact CB-CD2 4.08Å; A303-V371 WeakPolarHBondContact O-CG2 3.46Å
304L96.2Very high95.2Very high0 Ų033.1 Ų33.10%018%0.182CC..Hα-helixtrans-60.1-47.8174.3-67.9168.2000111.4C300 I301 L302 N307 G308 M309 V311 V316 A319 V371 V374C300-L304 VanDerWaalsContact O-CG 3.27Å; C300-L304 WeakPolarHBondContact O-CG 3.33Å; C300-L304 PolarHBondContact O-N 3.35Å; I301-L304 PolarHBondContact O-N 3.15Å; L302-L304 VanDerWaalsContact C-N 3.34Å; L302-L304 PolarHBondContact O-N 3.39Å; L304-N307 PolarHBondContact O-N 3.03Å; L304-G308 PolarHBondContact O-N 2.83Å; L304-M309 HydrophobicContact CB-CB 4.24Å; L304-M309 HydrophobicContact CD2-CB 4.02Å; L304-M309 HydrophobicContact CD2-CG 3.76Å; L304-M309 WeakPolarHBondContact O-CB 3.35Å; L304-M309 PolarHBondContact O-N 2.95Å; L304-V311 HydrophobicContact CB-CG2 4.17Å; L304-V316 HydrophobicContact CD1-CG2 4.22Å; L304-A319 HydrophobicContact CD1-CB 4.05Å; L304-A319 HydrophobicContact CD2-CB 4.36Å; L304-A319 HydrophobicContact CG-CB 4.3Å; L304-V371 HydrophobicContact CD2-CG2 4.1Å; L304-V374 HydrophobicContact CD2-CG1 4.1Å
305T95.1Very high95.3Very high21 Ų2132.5 Ų32.513%0.12918%0.179CC..Hα-helixtrans-63-46.3-177.1-59.50000112.2I211 L215 I301 L302 N307 G308I211-T305 HydrophobicContact CB-CG2 3.76Å; I211-T305 HydrophobicContact CG2-CG2 3.75Å; I211-T305 WeakPolarHBondContact CG2-OG1 3.36Å; L215-T305 HydrophobicContact CD1-CG2 3.82Å; I301-T305 WeakPolarHBondContact O-CB 3.3Å; I301-T305 PolarHBondContact O-N 3.48Å; I301-T305 PolarHBondContact O-OG1 3.13Å; L302-T305 PolarHBondContact O-N 3.26Å; L302-T305 VanDerWaalsContact O-N 3.16Å; T305-N307 PolarHBondContact O-N 3.01Å; T305-G308 PolarHBondContact O-N 2.87Å; T305-G308 VanDerWaalsContact O-N 3.07Å
306H94.1Very high95.4Very high154 Ų15430 Ų3071%0.71316%0.161SC*.Hα-helixtrans-64.3-27.8-179-80.8-69.7000113.1L302L302-H306 WeakPolarHBondContact O-CB 3.47Å; L302-H306 PolarHBondContact O-CD2 2.94Å; L302-H306 PolarHBondContact O-N 3.33Å
307N94Very high95.5Very high54 Ų5432 Ų3229%0.28917%0.172SC..THydrogen-bonded Turntrans-95.311.7176.9-68.1-81.6000112.9A303 L304 T305 M309 V371A303-N307 PolarHBondContact O-N 3.2Å; A303-N307 PolarHBondContact O-ND2 3.05Å; L304-N307 PolarHBondContact O-N 3.03Å; T305-N307 PolarHBondContact O-N 3.01Å; N307-M309 PolarHBondContact O-N 3.08Å; N307-V371 HydrophobicContact CB-CB 4.07Å; N307-V371 HydrophobicContact CB-CG1 3.92Å; N307-V371 HydrophobicContact CB-CG2 3.86Å
308G92.5Very high95.4Very high47 Ų4732.5 Ų32.549%0.48518%0.175SC..THydrogen-bonded Turntrans67.718.2176.400000114.6L304 T305L304-G308 PolarHBondContact O-N 2.83Å; T305-G308 PolarHBondContact O-N 2.87Å; T305-G308 VanDerWaalsContact O-N 3.07Å
309M93.5Very high95.4Very high17 Ų1728.2 Ų28.28%0.08416%0.159CC..  trans-78.1131.6177.1-172.467.7-174.100109.5L304 N307 V311 W312 V371 V374 Q375 L378L304-M309 HydrophobicContact CB-CB 4.24Å; L304-M309 HydrophobicContact CD2-CB 4.02Å; L304-M309 HydrophobicContact CD2-CG 3.76Å; L304-M309 WeakPolarHBondContact O-CB 3.35Å; L304-M309 PolarHBondContact O-N 2.95Å; N307-M309 PolarHBondContact O-N 3.08Å; M309-V311 PolarHBondContact O-N 3.44Å; M309-W312 HydrophobicContact CE-CH2 3.94Å; M309-W312 HydrophobicContact CE-CZ3 4.09Å; M309-V371 HydrophobicContact CB-CG1 4.02Å; M309-V371 HydrophobicContact CG-CG1 4.39Å; M309-V374 HydrophobicContact CE-CG1 4.41Å; M309-Q375 HydrophobicContact CE-CG 4.19Å; M309-Q375 HydrophobicContact SD-CG 3.73Å; M309-L378 HydrophobicContact CE-CD1 3.44Å; M309-L378 VanDerWaalsContact CE-CD1 3.44Å
310P93.9Very high95.3Very high55 Ų5528 Ų2836%0.35716%0.158SC..  trans-60.8140.3173.813.1-18.1000110.9L215 W312 S315L215-P310 CarbonylContact O-C 3.58Å; L215-P310 VanDerWaalsContact O-CA 3.27Å; L215-P310 WeakPolarHBondContact O-CA 3.46Å; P310-W312 HydrophobicContact CB-CE3 4.17Å; P310-W312 HydrophobicContact CB-CZ3 3.97Å; P310-W312 HydrophobicContact CG-CZ3 3.87Å; P310-W312 WeakPolarHBondContact O-CZ3 3.43Å; P310-S315 PolarHBondContact O-OG 3.19Å
311V96.5Very high95.1Very high0 Ų032.8 Ų32.80%018%0.181CC..BIsolated β-bridgetrans-104121.2-176.9-178.80000109.5I211 L215 K217 L251 I257 I301 L304 M309 V316I211-V311 HydrophobicContact CD1-CB 4.16Å; I211-V311 HydrophobicContact CD1-CG2 3.91Å; L215-V311 PolarHBondContact O-N 3.45Å; K217-V311 PolarHBondContact N-O 3.44Å; K217-V311 VanDerWaalsContact N-O 3.13Å; L251-V311 HydrophobicContact CD2-CG1 3.99Å; I257-V311 HydrophobicContact CD1-CG1 4.13Å; I301-V311 HydrophobicContact CG2-CG1 4.42Å; L304-V311 HydrophobicContact CB-CG2 4.17Å; M309-V311 PolarHBondContact O-N 3.44Å; V311-V316 HydrophobicContact CG1-CG2 3.77Å
312W95.9Very high94.9Very high23 Ų2333 Ų339%0.08718%0.183CC..  trans-154.4170.5170.777.795.5000110.3K217 M309 P310 T314 S315 V316 L378K217-W312 HydrophobicContact CB-CB 3.92Å; K217-W312 HydrophobicContact CB-CE3 4.41Å; K217-W312 HydrophobicContact CD-CB 4.34Å; K217-W312 HydrophobicContact CD-CD2 3.93Å; K217-W312 HydrophobicContact CD-CE3 4.01Å; K217-W312 HydrophobicContact CD-CG 4.11Å; M309-W312 HydrophobicContact CE-CH2 3.94Å; M309-W312 HydrophobicContact CE-CZ3 4.09Å; P310-W312 HydrophobicContact CB-CE3 4.17Å; P310-W312 HydrophobicContact CB-CZ3 3.97Å; P310-W312 HydrophobicContact CG-CZ3 3.87Å; P310-W312 WeakPolarHBondContact O-CZ3 3.43Å; W312-T314 VanDerWaalsContact CD1-N 3.34Å; W312-T314 PolarHBondContact NE1-OG1 3.42Å; W312-T314 VanDerWaalsContact NE1-OG1 3.13Å; W312-T314 PolarHBondContact O-N 2.96Å; W312-S315 PolarHBondContact N-OG 2.9Å; W312-S315 PolarHBondContact O-N 2.95Å; W312-S315 PolarHBondContact O-OG 3.02Å; W312-V316 WeakPolarHBondContact O-CG2 3.38Å; W312-V316 PolarHBondContact O-N 2.84Å; W312-L378 HydrophobicContact CH2-CD1 3.62Å; W312-L378 HydrophobicContact CZ2-CD1 3.8Å; W312-L378 HydrophobicContact CZ2-CD2 3.99Å
313E95.5Very high94.6Very high64 Ų6431.6 Ų31.630%0.29918%0.175SC..Hα-helixtrans-43.9-57.2-175.3178.3175.9-139.800114.3H224 L226 S315 V316 L317H224-E313 HydrophobicContact CB-CG 4.41Å; H224-E313 IonicContact CE1-OE1 3.85Å; H224-E313 IonicContact CE1-OE2 3.56Å; H224-E313 PolarHBondContact CE1-OE2 3.09Å; H224-E313 IonicContact CG-OE1 3.39Å; H224-E313 IonicContact ND1-OE1 3.53Å; H224-E313 PolarHBondContact ND1-OE1 2.94Å; H224-E313 IonicContact ND1-OE2 2.9Å; H224-E313 PolarHBondContact ND1-OE2 2.83Å; L226-E313 HydrophobicContact CD2-CG 4.42Å; E313-S315 VanDerWaalsContact C-N 3.35Å; E313-S315 PolarHBondContact O-N 2.8Å; E313-V316 PolarHBondContact O-N 3.5Å; E313-V316 VanDerWaalsContact O-N 3.15Å; E313-L317 HydrophobicContact CG-CD1 3.89Å; E313-L317 PolarHBondContact O-N 3.07Å
314T95.3Very high94.3Very high59 Ų5933.1 Ų33.136%0.36218%0.18SC..Hα-helixtrans-62.7-40-177.3-34.90000112W312 V316 L317 T318 L378W312-T314 VanDerWaalsContact CD1-N 3.34Å; W312-T314 PolarHBondContact NE1-OG1 3.42Å; W312-T314 VanDerWaalsContact NE1-OG1 3.13Å; W312-T314 PolarHBondContact O-N 2.96Å; T314-V316 VanDerWaalsContact C-N 3.29Å; T314-V316 PolarHBondContact O-N 3.44Å; T314-L317 PolarHBondContact O-N 2.92Å; T314-T318 HydrophobicContact CG2-CG2 4.29Å; T314-T318 WeakPolarHBondContact O-CB 3.43Å; T314-T318 VanDerWaalsContact O-CG2 3.28Å; T314-T318 WeakPolarHBondContact O-CG2 3.33Å; T314-T318 PolarHBondContact O-N 3.27Å; T314-T318 PolarHBondContact O-OG1 2.82Å; T314-L378 HydrophobicContact CG2-CD2 3.9Å
315S95.9Very high93.8Very high0 Ų035.4 Ų35.40%020%0.196CC..Hα-helixtrans-63.8-35.8177.768.50000112.2P310 W312 E313 T318 A319P310-S315 PolarHBondContact O-OG 3.19Å; W312-S315 PolarHBondContact N-OG 2.9Å; W312-S315 PolarHBondContact O-N 2.95Å; W312-S315 PolarHBondContact O-OG 3.02Å; E313-S315 VanDerWaalsContact C-N 3.35Å; E313-S315 PolarHBondContact O-N 2.8Å; S315-T318 WeakPolarHBondContact CA-OG1 3.18Å; S315-T318 PolarHBondContact O-OG1 2.86Å; S315-A319 VanDerWaalsContact O-CB 3.28Å; S315-A319 WeakPolarHBondContact O-CB 3.13Å; S315-A319 PolarHBondContact O-N 3.01Å; S315-A319 VanDerWaalsContact O-N 3.1Å
316V96.8Very high93.4Very high0 Ų035.6 Ų35.60%020%0.2CC..Hα-helixtrans-74-43.8178.41780000110.6L226 L249 V297 I301 L304 V311 W312 E313 T314 A319 C320L226-V316 HydrophobicContact CD1-CG1 4.06Å; L249-V316 HydrophobicContact CD2-CB 4.4Å; L249-V316 HydrophobicContact CD2-CG1 4.24Å; L249-V316 HydrophobicContact CD2-CG2 4.35Å; V297-V316 HydrophobicContact CG1-CG1 4.04Å; I301-V316 HydrophobicContact CD1-CG1 4.42Å; I301-V316 HydrophobicContact CG1-CG1 4.08Å; I301-V316 HydrophobicContact CG1-CG2 3.9Å; L304-V316 HydrophobicContact CD1-CG2 4.22Å; V311-V316 HydrophobicContact CG1-CG2 3.77Å; W312-V316 WeakPolarHBondContact O-CG2 3.38Å; W312-V316 PolarHBondContact O-N 2.84Å; E313-V316 PolarHBondContact O-N 3.5Å; E313-V316 VanDerWaalsContact O-N 3.15Å; T314-V316 VanDerWaalsContact C-N 3.29Å; T314-V316 PolarHBondContact O-N 3.44Å; V316-A319 PolarHBondContact O-N 2.83Å; V316-C320 PolarHBondContact O-N 3.1Å; V316-C320 PolarHBondContact O-SG 2.84Å
317L95.1Very high92.8Very high47 Ų4728.3 Ų28.325%0.24617%0.166CC..Hα-helixtrans-61.7-49.6176.8-75.9173000111.8L226 E313 T314 A319 C320 E321L226-L317 HydrophobicContact CB-CD2 4.07Å; L226-L317 HydrophobicContact CD1-CD2 4.48Å; L226-L317 HydrophobicContact CD2-CD1 4.35Å; L226-L317 HydrophobicContact CD2-CD2 3.78Å; L226-L317 HydrophobicContact CD2-CG 3.98Å; L226-L317 HydrophobicContact CG-CD2 4.32Å; E313-L317 HydrophobicContact CG-CD1 3.89Å; E313-L317 PolarHBondContact O-N 3.07Å; T314-L317 PolarHBondContact O-N 2.92Å; L317-A319 VanDerWaalsContact C-N 3.28Å; L317-A319 PolarHBondContact O-N 2.67Å; L317-C320 WeakPolarHBondContact O-CB 3.38Å; L317-C320 PolarHBondContact O-N 3.08Å; L317-E321 WeakPolarHBondContact O-CG 3.31Å; L317-E321 PolarHBondContact O-N 2.83Å
318T95.3Very high92.1Very high10 Ų1029.7 Ų29.76%0.06117%0.171CC..Hα-helixtrans-60.3-37.3177.150.20000112.3T314 S315 A322 L378T314-T318 HydrophobicContact CG2-CG2 4.29Å; T314-T318 WeakPolarHBondContact O-CB 3.43Å; T314-T318 VanDerWaalsContact O-CG2 3.28Å; T314-T318 WeakPolarHBondContact O-CG2 3.33Å; T314-T318 PolarHBondContact O-N 3.27Å; T314-T318 PolarHBondContact O-OG1 2.82Å; S315-T318 WeakPolarHBondContact CA-OG1 3.18Å; S315-T318 PolarHBondContact O-OG1 2.86Å; T318-A322 VanDerWaalsContact O-CB 3.25Å; T318-A322 WeakPolarHBondContact O-CB 3.21Å; T318-A322 PolarHBondContact O-N 3.13Å; T318-L378 HydrophobicContact CG2-CD2 4.23Å
319A95.8Very high91.3Very high0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-65.4-42.6172.500000112.1C300 L304 S315 V316 L317 A322 S323 L370 V374C300-A319 HydrophobicContact CB-CB 3.87Å; L304-A319 HydrophobicContact CD1-CB 4.05Å; L304-A319 HydrophobicContact CD2-CB 4.36Å; L304-A319 HydrophobicContact CG-CB 4.3Å; S315-A319 VanDerWaalsContact O-CB 3.28Å; S315-A319 WeakPolarHBondContact O-CB 3.13Å; S315-A319 PolarHBondContact O-N 3.01Å; S315-A319 VanDerWaalsContact O-N 3.1Å; V316-A319 PolarHBondContact O-N 2.83Å; L317-A319 VanDerWaalsContact C-N 3.28Å; L317-A319 PolarHBondContact O-N 2.67Å; A319-A322 PolarHBondContact O-N 3.14Å; A319-S323 WeakPolarHBondContact O-CB 3.41Å; A319-S323 PolarHBondContact O-N 3.09Å; A319-L370 HydrophobicContact CB-CD2 4.47Å; A319-V374 VanDerWaalsContact CA-CG2 3.48Å; A319-V374 HydrophobicContact CB-CG2 3.77Å
320C94.3Very high89.8Confident4 Ų434.9 Ų34.93%0.02718%0.183CC..Hα-helixtrans-63.1-46.1177-67.60000111.5I228 V316 L317 S323 W324I228-C320 HydrophobicContact CD1-CB 4.04Å; V316-C320 PolarHBondContact O-N 3.1Å; V316-C320 PolarHBondContact O-SG 2.84Å; L317-C320 WeakPolarHBondContact O-CB 3.38Å; L317-C320 PolarHBondContact O-N 3.08Å; C320-S323 PolarHBondContact O-N 2.83Å; C320-S323 PolarHBondContact O-OG 2.97Å; C320-W324 WeakPolarHBondContact O-CB 3.31Å; C320-W324 PolarHBondContact O-N 2.86Å
321E92.7Very high88Confident101 Ų10136 Ų3647%0.47219%0.186SC..Hα-helixtrans-62.2-42.6175.8-70.9173.6-17100112.7L317 W324 S325 K377L317-E321 WeakPolarHBondContact O-CG 3.31Å; L317-E321 PolarHBondContact O-N 2.83Å; E321-W324 PolarHBondContact O-N 3.14Å; E321-S325 PolarHBondContact O-N 2.7Å; E321-S325 PolarHBondContact O-OG 3.43Å; E321-K377 IonicContact OE2-NZ 3.64Å; E321-K377 PolarHBondContact OE2-NZ 2.8Å
322A91.8Very high85.9Confident5 Ų542.9 Ų42.94%0.04122%0.223CC..Hα-helixtrans-65.4-40.2177.200000111.3T318 A319 W324 S325 A326 L370 L373T318-A322 VanDerWaalsContact O-CB 3.25Å; T318-A322 WeakPolarHBondContact O-CB 3.21Å; T318-A322 PolarHBondContact O-N 3.13Å; A319-A322 PolarHBondContact O-N 3.14Å; A322-W324 VanDerWaalsContact C-N 3.29Å; A322-W324 PolarHBondContact O-N 2.73Å; A322-S325 PolarHBondContact O-N 2.76Å; A322-A326 WeakPolarHBondContact O-CB 3.44Å; A322-A326 PolarHBondContact O-N 2.92Å; A322-L370 HydrophobicContact CB-CD1 3.59Å; A322-L373 HydrophobicContact CB-CB 4.46Å
323S91.4Very high83.8Confident0 Ų048.7 Ų48.70%026%0.256CS..Hα-helixtrans-61.2-39.5173.6800000112R296 A319 C320 A326 D327R296-S323 PolarHBondContact NH1-OG 2.81Å; A319-S323 WeakPolarHBondContact O-CB 3.41Å; A319-S323 PolarHBondContact O-N 3.09Å; C320-S323 PolarHBondContact O-N 2.83Å; C320-S323 PolarHBondContact O-OG 2.97Å; S323-A326 PolarHBondContact O-N 3.39Å; S323-D327 PolarHBondContact O-N 3.03Å
324W88.3Confident81.8Confident34 Ų3447.2 Ų47.213%0.12925%0.25CS..Hα-helixtrans-68.9-42.4179-174.8-99.8000112P229 R230 M231 I238 C320 E321 A322 A326 D327 Q328P229-W324 HydrophobicContact CB-CD2 3.91Å; P229-W324 HydrophobicContact CB-CE3 4.08Å; P229-W324 HydrophobicContact CB-CH2 4.06Å; P229-W324 HydrophobicContact CB-CZ2 3.86Å; P229-W324 HydrophobicContact CB-CZ3 4.17Å; P229-W324 HydrophobicContact CG-CD2 4.13Å; P229-W324 HydrophobicContact CG-CG 4.26Å; R230-W324 WeakPolarHBondContact O-CH2 3.26Å; M231-W324 HydrophobicContact CB-CH2 4.16Å; M231-W324 HydrophobicContact CB-CZ3 3.96Å; M231-W324 HydrophobicContact CG-CZ3 4.4Å; M231-W324 HydrophobicContact SD-CZ3 4.11Å; I238-W324 HydrophobicContact CG2-CH2 4.36Å; I238-W324 HydrophobicContact CG2-CZ2 4.03Å; C320-W324 WeakPolarHBondContact O-CB 3.31Å; C320-W324 PolarHBondContact O-N 2.86Å; E321-W324 PolarHBondContact O-N 3.14Å; A322-W324 VanDerWaalsContact C-N 3.29Å; A322-W324 PolarHBondContact O-N 2.73Å; W324-A326 VanDerWaalsContact C-N 3.31Å; W324-A326 PolarHBondContact O-N 3.45Å; W324-D327 PolarHBondContact O-N 3.15Å; W324-Q328 VanDerWaalsContact NE1-NE2 3.11Å; W324-Q328 PolarHBondContact O-N 3.47Å
325S87.1Confident79.9Confident48 Ų4849.5 Ų49.534%0.33626%0.26SS..Hα-helixtrans-64.3-39.5176.4-53.50000111.2E321 A322 D327 Q328 Q329E321-S325 PolarHBondContact O-N 2.7Å; E321-S325 PolarHBondContact O-OG 3.43Å; A322-S325 PolarHBondContact O-N 2.76Å; S325-D327 VanDerWaalsContact C-N 3.31Å; S325-D327 PolarHBondContact O-N 2.91Å; S325-Q328 PolarHBondContact O-N 3.36Å; S325-Q329 WeakPolarHBondContact O-CG 3.3Å; S325-Q329 PolarHBondContact O-N 2.84Å; S325-Q329 VanDerWaalsContact O-N 3.16Å
326A85.1Confident78.1Confident25 Ų2557 Ų5721%0.20730%0.295CS..Hα-helixtrans-67.4-28.8175.200000112.7A322 S323 W324 Q328 N330 R360A322-A326 WeakPolarHBondContact O-CB 3.44Å; A322-A326 PolarHBondContact O-N 2.92Å; S323-A326 PolarHBondContact O-N 3.39Å; W324-A326 VanDerWaalsContact C-N 3.31Å; W324-A326 PolarHBondContact O-N 3.45Å; A326-Q328 VanDerWaalsContact C-N 3.35Å; A326-N330 WeakPolarHBondContact O-CB 3.24Å; A326-N330 PolarHBondContact O-N 2.89Å; A326-N330 PolarHBondContact O-ND2 2.91Å; A326-N330 VanDerWaalsContact O-ND2 3.12Å; A326-N330 PolarHBondContact O-OD1 3.15Å; A326-R360 PolarHBondContact O-NH2 3.45Å
327D82.9Confident76.2Confident2 Ų260.2 Ų60.21%0.01131%0.308CS..Hα-helixtrans-69.4-36.4173.8-71.3-28.6000111.2I238 R296 S323 W324 S325 R360I238-D327 VanDerWaalsContact CD1-C 3.44Å; I238-D327 HydrophobicContact CD1-CB 3.89Å; I238-D327 WeakPolarHBondContact CD1-O 3.46Å; R296-D327 IonicContact CZ-OD2 3.65Å; R296-D327 IonicContact NH1-OD2 2.73Å; R296-D327 PolarHBondContact NH1-OD2 2.98Å; R296-D327 IonicContact NH2-OD2 3.1Å; R296-D327 PolarHBondContact NH2-OD2 3.43Å; S323-D327 PolarHBondContact O-N 3.03Å; W324-D327 PolarHBondContact O-N 3.15Å; S325-D327 VanDerWaalsContact C-N 3.31Å; S325-D327 PolarHBondContact O-N 2.91Å; D327-R360 VanDerWaalsContact CA-NH2 3.27Å; D327-R360 VanDerWaalsContact N-NH2 3.11Å; D327-R360 IonicContact OD1-CZ 3.31Å; D327-R360 IonicContact OD1-NE 2.8Å; D327-R360 PolarHBondContact OD1-NE 3.48Å; D327-R360 VanDerWaalsContact OD1-NE 3.08Å; D327-R360 IonicContact OD1-NH2 2.92Å; D327-R360 PolarHBondContact OD1-NH2 2.88Å
328Q79.2Confident74Confident82 Ų8260.3 Ų60.338%0.38331%0.307SS..Hα-helixtrans-73.9-28.1179.7-72.2178.885.300113.8I238 W324 S325 A326I238-Q328 HydrophobicContact CD1-CG 4.05Å; I238-Q328 HydrophobicContact CG2-CG 4.28Å; W324-Q328 VanDerWaalsContact NE1-NE2 3.11Å; W324-Q328 PolarHBondContact O-N 3.47Å; S325-Q328 PolarHBondContact O-N 3.36Å; A326-Q328 VanDerWaalsContact C-N 3.35Å
329Q75.8Confident72Confident145 Ų14563.5 Ų63.568%0.67832%0.323SS*.Hα-helixtrans-85.5-28.2-179.3-71.1175.9-11.100113.1S325 D331S325-Q329 WeakPolarHBondContact O-CG 3.3Å; S325-Q329 PolarHBondContact O-N 2.84Å; S325-Q329 VanDerWaalsContact O-N 3.16Å; Q329-D331 VanDerWaalsContact C-N 3.29Å; Q329-D331 PolarHBondContact O-N 2.79Å; Q329-D331 VanDerWaalsContact O-N 3.13Å
330N62Low69.5Low29 Ų2971.2 Ų71.216%0.15536%0.359CS..THydrogen-bonded Turntrans-9040.3-167.1-65.2-6.9000114.3A326 D332 D334 R360A326-N330 WeakPolarHBondContact O-CB 3.24Å; A326-N330 PolarHBondContact O-N 2.89Å; A326-N330 PolarHBondContact O-ND2 2.91Å; A326-N330 VanDerWaalsContact O-ND2 3.12Å; A326-N330 PolarHBondContact O-OD1 3.15Å; N330-D332 VanDerWaalsContact C-N 3.29Å; N330-D334 HydrophobicContact CB-CB 4.43Å; N330-D334 VanDerWaalsContact CG-OD2 3.22Å; N330-D334 PolarHBondContact ND2-OD2 2.73Å; N330-R360 PolarHBondContact ND2-NH1 3.35Å
331D55.6Low67.2Low79 Ų7977 Ų7742%0.42238%0.384SS..THydrogen-bonded Turntrans-74.3-20.8169.7-84-27000112.5Q329 R355 R357Q329-D331 VanDerWaalsContact C-N 3.29Å; Q329-D331 PolarHBondContact O-N 2.79Å; Q329-D331 VanDerWaalsContact O-N 3.13Å; D331-R355 PolarHBondContact O-NH2 2.9Å; D331-R355 IonicContact OD1-NH1 3.95Å; D331-R357 IonicContact OD1-NH2 3.09Å
332D51.6Low64.4Low143 Ų14380.5 Ų80.577%0.76540%0.4SS*.SBendtrans-123-21.6-168.8-64.9-39.3000118.2N330N330-D332 VanDerWaalsContact C-N 3.29Å
333D53.2Low61.9Low146 Ų14683.4 Ų83.478%0.78142%0.418SS*.SBendtrans-118.5-5.4-164.3-72.1-35.7000118.2
334D53.4Low59.2Low33 Ų3389 Ų8918%0.17646%0.457CS..  trans-110.940.6-167.4-87.7-1.2000114.5N330 E336 R360N330-D334 HydrophobicContact CB-CB 4.43Å; N330-D334 VanDerWaalsContact CG-OD2 3.22Å; N330-D334 PolarHBondContact ND2-OD2 2.73Å; D334-E336 PolarHBondContact O-N 3.4Å; D334-R360 IonicContact OD2-NH1 3.03Å
335D54.5Low57.3Low107 Ų10794.2 Ų94.257%0.57249%0.486SS*.G310 helixtrans-65.5-19.5174.2-81.2-24.4000113.2Y337 Q338D335-Y337 PolarHBondContact O-N 2.72Å; D335-Q338 PolarHBondContact OD1-NE2 3.23Å
336E57.7Low54.9Low156 Ų15697.7 Ų97.773%0.72950%0.501SS*.G310 helixtrans-74.5-23.2-175.8-166.9172.4-151.300114.1D334D334-E336 PolarHBondContact O-N 3.4Å
337Y56.8Low52.7Low68 Ų68104.6 Ų104.627%0.26753%0.534SS..G310 helixtrans-115.415.6-176.1-53.2-64.4000114D335 L339 H363 E365 V366D335-Y337 PolarHBondContact O-N 2.72Å; Y337-L339 PolarHBondContact O-N 3.18Å; Y337-H363 AromaticContact CD1-CE1 3.55Å; Y337-H363 AromaticContact CD1-ND1 3.8Å; Y337-E365 WeakPolarHBondContact CE1-OE2 3.41Å; Y337-E365 VanDerWaalsContact CZ-OE2 3.25Å; Y337-E365 PolarHBondContact OH-OE2 2.74Å; Y337-V366 HydrophobicContact CG-CG2 4.49Å
338Q50.5Low50.5Low49 Ų49110.2 Ų110.223%0.22956%0.564CS.*  trans-67.7103.9171.6-75.4175.316.300108.9D335 E340D335-Q338 PolarHBondContact OD1-NE2 3.23Å; Q338-E340 PolarHBondContact O-N 3.28Å; Q338-E340 VanDerWaalsContact O-N 3.09Å
339L51.9Low48.8Very low78 Ų78112.6 Ų112.641%0.40859%0.59SS.*  trans-61.8110.9163.9-74169.4000107.5Y337 F341Y337-L339 PolarHBondContact O-N 3.18Å; L339-F341 PolarHBondContact O-N 3.39Å
340E43.9Very low47.2Very low162 Ų162109.5 Ų109.576%0.75758%0.584SS**  trans-63.387159.5-72.6-178.5173.900107.1Q338 E342Q338-E340 PolarHBondContact O-N 3.28Å; Q338-E340 VanDerWaalsContact O-N 3.09Å; E340-E342 PolarHBondContact O-N 2.96Å
341F45.3Very low46.1Very low124 Ų124112 Ų11254%0.54462%0.618SS.*  trans-82.7106.3162.2-126-89.3000105.6L339 T343L339-F341 PolarHBondContact O-N 3.39Å; F341-T343 HydrophobicContact CD1-CG2 4.33Å; F341-T343 PolarHBondContact O-N 3.18Å
342E34.2Very low45.4Very low175 Ų175113 Ų11382%0.81863%0.631SS**  trans-64.783.5161.4-71.3-175.4170.300107.5E340 S344E340-E342 PolarHBondContact O-N 2.96Å; E342-S344 PolarHBondContact O-N 2.72Å
343T38.7Very low45.3Very low66 Ų66112 Ų11241%0.40562%0.619SS.*  trans-72.292.216042.40000105.8F341 I345F341-T343 HydrophobicContact CD1-CG2 4.33Å; F341-T343 PolarHBondContact O-N 3.18Å; T343-I345 PolarHBondContact O-N 3.39Å
344S36.5Very low45.2Very low119 Ų119106.2 Ų106.283%0.83259%0.59SS**THydrogen-bonded Turntrans-64.727.1171.231.50000113.2E342E342-S344 PolarHBondContact O-N 2.72Å
345I47.7Very low45.6Very low142 Ų142109.2 Ų109.273%0.72860%0.599SS**THydrogen-bonded Turntrans-95.8-22.9-177-62.8176.1000111T343T343-I345 PolarHBondContact O-N 3.39Å
346N37Very low46.5Very low121 Ų121105.7 Ų105.765%0.64758%0.58SS**  trans-124.3116.2172.6-69.2-20000110D348N346-D348 PolarHBondContact O-N 2.83Å
347N37.5Very low47.6Very low170 Ų17099 Ų9991%0.90955%0.548SS*.  trans-74.233.3175.1-157.827000111.9S349N347-S349 PolarHBondContact O-N 3.01Å
348D38.3Very low48.9Very low121 Ų12196.3 Ų96.365%0.64754%0.539SS*.  trans-81.7104.3179.1-81.2-21.2000108.8N346 S350N346-D348 PolarHBondContact O-N 2.83Å; D348-S350 PolarHBondContact O-N 3.2Å
349S42.2Very low50.5Low131 Ų13195.1 Ų95.192%0.91654%0.537SS*.  trans-59.57.1172.955.50000115.6N347N347-S349 PolarHBondContact O-N 3.01Å
350S43Very low52.1Low80 Ų8093 Ų9356%0.55952%0.524SS*.SBendtrans-91.6114.9163.462.10000108.7D348 S352D348-S350 PolarHBondContact O-N 3.2Å; S350-S352 PolarHBondContact O-N 2.84Å
351G37.6Very low54.2Low83 Ų8385.4 Ų85.486%0.85649%0.488SS*.  trans-65.251.1177.100000114.6K353G351-K353 PolarHBondContact O-N 2.97Å
352S42.8Very low56.2Low100 Ų10083.6 Ų83.670%0.69948%0.483SS*.  trans-69.697.7172.6177.40000107.7S350 S354S350-S352 PolarHBondContact O-N 2.84Å; S352-S354 PolarHBondContact O-N 3.31Å
353K48.9Very low58.8Low120 Ų12077.7 Ų77.752%0.52246%0.456SS..  trans-53.2103.2171.6-62.2-177-178.6-179.20108.5G351 R355G351-K353 PolarHBondContact O-N 2.97Å; K353-R355 PolarHBondContact O-N 3.33Å; K353-R355 VanDerWaalsContact O-N 3.08Å
354S50.7Low61.3Low25 Ų2578.5 Ų78.518%0.17546%0.462CS..  trans-66.1110.2176.659.20000108.5D235 S352 N356D235-S354 WeakPolarHBondContact OD2-CB 3.28Å; S352-S354 PolarHBondContact O-N 3.31Å; S354-N356 PolarHBondContact O-N 3.1Å; S354-N356 PolarHBondContact OG-ND2 3.47Å
355R61.6Low63.8Low96 Ų9677 Ų7736%0.36244%0.442SS..  trans-73.778.3178.3-73.1179.9172.8172.6-5.5109.5D235 D331 K353 R357D235-R355 PolarHBondContact OD1-N 2.79Å; D331-R355 PolarHBondContact O-NH2 2.9Å; D331-R355 IonicContact OD1-NH1 3.95Å; K353-R355 PolarHBondContact O-N 3.33Å; K353-R355 VanDerWaalsContact O-N 3.08Å; R355-R357 PolarHBondContact O-N 3.39Å
356N72.8Confident65.8Low33 Ų3371.3 Ų71.318%0.17641%0.414CS..  trans-66.679.1176.5-81.5-56.4000111.6L234 D235 S354 I358 A359 R360L234-N356 WeakPolarHBondContact CD2-OD1 3.3Å; D235-N356 PolarHBondContact OD1-N 2.88Å; S354-N356 PolarHBondContact O-N 3.1Å; S354-N356 PolarHBondContact OG-ND2 3.47Å; N356-I358 PolarHBondContact O-N 2.68Å; N356-A359 HydrophobicContact CB-CB 3.85Å; N356-A359 PolarHBondContact O-N 2.87Å; N356-R360 PolarHBondContact O-N 2.71Å; N356-R360 VanDerWaalsContact O-N 3.12Å
357R80.8Confident68.4Low16 Ų1665.8 Ų65.86%0.0639%0.385CS..THydrogen-bonded Turntrans-56.5-24.7-176-78.1173.5176151.7-0.7114.1M231 G236 I238 D331 R355 R360M231-R357 HydrophobicContact CE-CB 4.4Å; G236-R357 PolarHBondContact O-NH1 3.16Å; I238-R357 VanDerWaalsContact CG1-CZ 3.5Å; D331-R357 IonicContact OD1-NH2 3.09Å; R355-R357 PolarHBondContact O-N 3.39Å; R357-R360 VanDerWaalsContact O-CG 3.25Å; R357-R360 WeakPolarHBondContact O-CG 3.47Å; R357-R360 PolarHBondContact O-NE 3.05Å
358I84.4Confident71.1Confident12 Ų1264.2 Ų64.26%0.06237%0.366CS..THydrogen-bonded Turntrans-85.9-38.8178-54.1167.1000110.9L234 I292 C295 N299 N356 L361L234-I358 HydrophobicContact CD2-CD1 4.08Å; L234-I358 HydrophobicContact CG-CD1 4.11Å; I292-I358 HydrophobicContact CB-CD1 4.03Å; I292-I358 HydrophobicContact CG1-CD1 3.97Å; I292-I358 HydrophobicContact CG2-CD1 3.58Å; I292-I358 HydrophobicContact CG2-CG1 4.48Å; C295-I358 HydrophobicContact CB-CG2 3.94Å; N299-I358 WeakPolarHBondContact ND2-CG2 3.3Å; N299-I358 PolarHBondContact ND2-O 3.2Å; N356-I358 PolarHBondContact O-N 2.68Å; I358-L361 WeakPolarHBondContact O-CB 3.26Å; I358-L361 PolarHBondContact O-N 3.29Å
359A84.3Confident73.7Confident23 Ų2365.5 Ų65.519%0.1936%0.362CS..G310 helixtrans-70.9-33-178.300000111.9N356 L361 L362N356-A359 HydrophobicContact CB-CB 3.85Å; N356-A359 PolarHBondContact O-N 2.87Å; A359-L361 PolarHBondContact O-N 3.42Å; A359-L361 VanDerWaalsContact O-N 3.12Å; A359-L362 VanDerWaalsContact O-CB 3.32Å; A359-L362 WeakPolarHBondContact O-CB 3.13Å; A359-L362 PolarHBondContact O-N 3.19Å
360R86.1Confident76.1Confident35 Ų3559.6 Ų59.613%0.13232%0.32CS..G310 helixtrans-57.1-27.5176.377.9-169.8-176.1135.911.1113.5A326 D327 N330 D334 N356 R357 L362 H363 V366A326-R360 PolarHBondContact O-NH2 3.45Å; D327-R360 VanDerWaalsContact CA-NH2 3.27Å; D327-R360 VanDerWaalsContact N-NH2 3.11Å; D327-R360 IonicContact OD1-CZ 3.31Å; D327-R360 IonicContact OD1-NE 2.8Å; D327-R360 PolarHBondContact OD1-NE 3.48Å; D327-R360 VanDerWaalsContact OD1-NE 3.08Å; D327-R360 IonicContact OD1-NH2 2.92Å; D327-R360 PolarHBondContact OD1-NH2 2.88Å; N330-R360 PolarHBondContact ND2-NH1 3.35Å; D334-R360 IonicContact OD2-NH1 3.03Å; N356-R360 PolarHBondContact O-N 2.71Å; N356-R360 VanDerWaalsContact O-N 3.12Å; R357-R360 VanDerWaalsContact O-CG 3.25Å; R357-R360 WeakPolarHBondContact O-CG 3.47Å; R357-R360 PolarHBondContact O-NE 3.05Å; R360-L362 PolarHBondContact O-N 3.49Å; R360-L362 VanDerWaalsContact O-N 3.15Å; R360-H363 VanDerWaalsContact O-CB 3.27Å; R360-H363 WeakPolarHBondContact O-CB 3.34Å; R360-H363 PolarHBondContact O-N 3.47Å; R360-V366 HydrophobicContact CG-CG1 4.49Å; R360-V366 WeakPolarHBondContact O-CB 3.25Å; R360-V366 WeakPolarHBondContact O-CG1 3.32Å
361L87.2Confident78.5Confident2 Ų256 Ų561%0.0130%0.295CS..G310 helixtrans-64.1-16.8175.9-60.6176.2000113.2R296 N299 I358 A359 V366 L370R296-L361 HydrophobicContact CG-CD1 4.3Å; N299-L361 HydrophobicContact CB-CB 4.01Å; N299-L361 HydrophobicContact CB-CD1 4.28Å; I358-L361 WeakPolarHBondContact O-CB 3.26Å; I358-L361 PolarHBondContact O-N 3.29Å; A359-L361 PolarHBondContact O-N 3.42Å; A359-L361 VanDerWaalsContact O-N 3.12Å; L361-V366 HydrophobicContact CD2-CG1 4.39Å; L361-L370 HydrophobicContact CD2-CD2 4.34Å
362L87.6Confident81.2Confident85 Ų8556 Ų5645%0.44528%0.278SS..G310 helixtrans-86.6-12.3174.7-59.2175.4000112.6N299 L302 A359 R360N299-L362 HydrophobicContact CB-CD2 4Å; N299-L362 HydrophobicContact CB-CG 4.42Å; L302-L362 HydrophobicContact CB-CD2 4.33Å; L302-L362 HydrophobicContact CD1-CD2 3.89Å; A359-L362 VanDerWaalsContact O-CB 3.32Å; A359-L362 WeakPolarHBondContact O-CB 3.13Å; A359-L362 PolarHBondContact O-N 3.19Å; R360-L362 PolarHBondContact O-N 3.49Å; R360-L362 VanDerWaalsContact O-N 3.15Å
363H89.4Confident83.6Confident51 Ų5155.1 Ų55.124%0.23627%0.266CS..SBendtrans-67130.3176-168.1-97.8000109.5Y337 R360 E365 V366 A367Y337-H363 AromaticContact CD1-CE1 3.55Å; Y337-H363 AromaticContact CD1-ND1 3.8Å; R360-H363 VanDerWaalsContact O-CB 3.27Å; R360-H363 WeakPolarHBondContact O-CB 3.34Å; R360-H363 PolarHBondContact O-N 3.47Å; H363-E365 IonicContact CE1-OE2 3.6Å; H363-E365 PolarHBondContact O-N 3.39Å; H363-E365 VanDerWaalsContact O-N 3.11Å; H363-V366 HydrophobicContact CB-CB 4.21Å; H363-V366 HydrophobicContact CB-CG2 4Å; H363-V366 PolarHBondContact O-N 2.94Å; H363-A367 VanDerWaalsContact O-CB 3.31Å; H363-A367 WeakPolarHBondContact O-CB 3.27Å; H363-A367 PolarHBondContact O-N 3.21Å
364P90.1Very high85.7Confident83 Ų8349.4 Ų49.454%0.53924%0.241SC..Hα-helixtrans-54.9-36.4-172.8-28.635.2000114.3R368P364-R368 WeakPolarHBondContact O-CB 3.49Å; P364-R368 PolarHBondContact O-N 3.05Å
365E90.6Very high87.7Confident88 Ų8851.9 Ų51.941%0.41125%0.249SC..Hα-helixtrans-77.9-41.8-177.1-59.1-171157.300112.4Y337 H363 A367 R368 R369Y337-E365 WeakPolarHBondContact CE1-OE2 3.41Å; Y337-E365 VanDerWaalsContact CZ-OE2 3.25Å; Y337-E365 PolarHBondContact OH-OE2 2.74Å; H363-E365 IonicContact CE1-OE2 3.6Å; H363-E365 PolarHBondContact O-N 3.39Å; H363-E365 VanDerWaalsContact O-N 3.11Å; E365-A367 VanDerWaalsContact C-N 3.33Å; E365-R368 PolarHBondContact O-N 2.78Å; E365-R369 WeakPolarHBondContact O-CB 3.45Å; E365-R369 PolarHBondContact O-N 3.06Å
366V89.6Confident89.2Confident23 Ų2350.1 Ų50.114%0.13926%0.255CS..Hα-helixtrans-62.8-44.1173.1179.50000109.7Y337 R360 L361 H363 R368 R369 L370Y337-V366 HydrophobicContact CG-CG2 4.49Å; R360-V366 HydrophobicContact CG-CG1 4.49Å; R360-V366 WeakPolarHBondContact O-CB 3.25Å; R360-V366 WeakPolarHBondContact O-CG1 3.32Å; L361-V366 HydrophobicContact CD2-CG1 4.39Å; H363-V366 HydrophobicContact CB-CB 4.21Å; H363-V366 HydrophobicContact CB-CG2 4Å; H363-V366 PolarHBondContact O-N 2.94Å; V366-R368 PolarHBondContact O-N 3.47Å; V366-R369 PolarHBondContact O-N 3.27Å; V366-L370 WeakPolarHBondContact O-CB 3.38Å; V366-L370 PolarHBondContact O-N 2.83Å
367A92Very high90.2Very high5 Ų552 Ų524%0.04126%0.262CS..Hα-helixtrans-59.7-45.217500000111.6A303 H363 E365 L370 V371A303-A367 HydrophobicContact CB-CB 3.73Å; H363-A367 VanDerWaalsContact O-CB 3.31Å; H363-A367 WeakPolarHBondContact O-CB 3.27Å; H363-A367 PolarHBondContact O-N 3.21Å; E365-A367 VanDerWaalsContact C-N 3.33Å; A367-L370 WeakPolarHBondContact O-CB 3.32Å; A367-L370 PolarHBondContact O-N 3.19Å; A367-V371 WeakPolarHBondContact O-CG2 3.27Å; A367-V371 PolarHBondContact O-N 2.76Å
368R92.9Very high90.7Very high137 Ų13752 Ų5252%0.51726%0.263SS..Hα-helixtrans-62.3-47.3177.4-169.4-175.6-60.9135.31.6111.5P364 E365 V366 L370 V371 T372P364-R368 WeakPolarHBondContact O-CB 3.49Å; P364-R368 PolarHBondContact O-N 3.05Å; E365-R368 PolarHBondContact O-N 2.78Å; V366-R368 PolarHBondContact O-N 3.47Å; R368-L370 VanDerWaalsContact C-N 3.33Å; R368-L370 PolarHBondContact O-N 3.39Å; R368-V371 PolarHBondContact O-N 3.45Å; R368-T372 PolarHBondContact O-N 3.06Å; R368-T372 PolarHBondContact O-OG1 3.36Å; R368-T372 VanDerWaalsContact O-OG1 3.11Å
369R92.7Very high90.9Very high147 Ų14758.9 Ų58.956%0.55529%0.292SS*.Hα-helixtrans-58.3-45.4176.3-174.5176.7179.6-176.8-1.2111.1E365 V366 V371 T372 L373E365-R369 WeakPolarHBondContact O-CB 3.45Å; E365-R369 PolarHBondContact O-N 3.06Å; V366-R369 PolarHBondContact O-N 3.27Å; R369-V371 PolarHBondContact O-N 3.3Å; R369-T372 PolarHBondContact O-N 3.24Å; R369-L373 WeakPolarHBondContact O-CG 3.45Å; R369-L373 PolarHBondContact O-N 2.71Å
370L92.7Very high90.9Very high8 Ų861.8 Ų61.84%0.04231%0.312CS..Hα-helixtrans-57.4-48.2175.4-177.471.4000111.4A303 A319 A322 L361 V366 A367 R368 T372 L373 V374A303-L370 HydrophobicContact CB-CD2 4.08Å; A319-L370 HydrophobicContact CB-CD2 4.47Å; A322-L370 HydrophobicContact CB-CD1 3.59Å; L361-L370 HydrophobicContact CD2-CD2 4.34Å; V366-L370 WeakPolarHBondContact O-CB 3.38Å; V366-L370 PolarHBondContact O-N 2.83Å; A367-L370 WeakPolarHBondContact O-CB 3.32Å; A367-L370 PolarHBondContact O-N 3.19Å; R368-L370 VanDerWaalsContact C-N 3.33Å; R368-L370 PolarHBondContact O-N 3.39Å; L370-T372 VanDerWaalsContact C-N 3.35Å; L370-T372 PolarHBondContact O-N 3.04Å; L370-L373 WeakPolarHBondContact O-CB 3.28Å; L370-L373 PolarHBondContact O-N 3.3Å; L370-V374 WeakPolarHBondContact O-CG2 3.1Å; L370-V374 PolarHBondContact O-N 3.19Å
371V93.4Very high90.1Very high4 Ų465.8 Ų65.82%0.02434%0.336CS..Hα-helixtrans-65.4-37.5179.8174.60000112A303 L304 N307 M309 A367 R368 R369 L373 V374 Q375A303-V371 WeakPolarHBondContact O-CG2 3.46Å; L304-V371 HydrophobicContact CD2-CG2 4.1Å; N307-V371 HydrophobicContact CB-CB 4.07Å; N307-V371 HydrophobicContact CB-CG1 3.92Å; N307-V371 HydrophobicContact CB-CG2 3.86Å; M309-V371 HydrophobicContact CB-CG1 4.02Å; M309-V371 HydrophobicContact CG-CG1 4.39Å; A367-V371 WeakPolarHBondContact O-CG2 3.27Å; A367-V371 PolarHBondContact O-N 2.76Å; R368-V371 PolarHBondContact O-N 3.45Å; R369-V371 PolarHBondContact O-N 3.3Å; V371-L373 VanDerWaalsContact C-N 3.34Å; V371-L373 PolarHBondContact O-N 2.66Å; V371-V374 PolarHBondContact O-N 3.42Å; V371-Q375 HydrophobicContact CG1-CG 4.39Å; V371-Q375 WeakPolarHBondContact O-CG 3.4Å; V371-Q375 PolarHBondContact O-N 3.47Å
372T94.1Very high88.6Confident83 Ų8377 Ų7751%0.50938%0.38SS..Hα-helixtrans-60.9-42.4173.3-57.60000111.7R368 R369 L370 Q375 A376R368-T372 PolarHBondContact O-N 3.06Å; R368-T372 PolarHBondContact O-OG1 3.36Å; R368-T372 VanDerWaalsContact O-OG1 3.11Å; R369-T372 PolarHBondContact O-N 3.24Å; L370-T372 VanDerWaalsContact C-N 3.35Å; L370-T372 PolarHBondContact O-N 3.04Å; T372-Q375 PolarHBondContact O-N 3.37Å; T372-A376 WeakPolarHBondContact O-CB 3.27Å; T372-A376 PolarHBondContact O-N 3.22Å
373L93Very high88.6Confident82 Ų8276.7 Ų76.743%0.42938%0.376SS..Hα-helixtrans-63.1-41.8175.1-68.1173.9000112A322 R369 L370 V371 A376 K377A322-L373 HydrophobicContact CB-CB 4.46Å; R369-L373 WeakPolarHBondContact O-CG 3.45Å; R369-L373 PolarHBondContact O-N 2.71Å; L370-L373 WeakPolarHBondContact O-CB 3.28Å; L370-L373 PolarHBondContact O-N 3.3Å; V371-L373 VanDerWaalsContact C-N 3.34Å; V371-L373 PolarHBondContact O-N 2.66Å; L373-A376 PolarHBondContact O-N 2.87Å; L373-K377 PolarHBondContact O-N 3.48Å
374V93.8Very high88.6Confident0 Ų078 Ų780%038%0.384CS..Hα-helixtrans-62.2-45176169.90000111L304 M309 A319 L370 V371 A376 K377 L378L304-V374 HydrophobicContact CD2-CG1 4.1Å; M309-V374 HydrophobicContact CE-CG1 4.41Å; A319-V374 VanDerWaalsContact CA-CG2 3.48Å; A319-V374 HydrophobicContact CB-CG2 3.77Å; L370-V374 WeakPolarHBondContact O-CG2 3.1Å; L370-V374 PolarHBondContact O-N 3.19Å; V371-V374 PolarHBondContact O-N 3.42Å; V374-A376 VanDerWaalsContact C-N 3.32Å; V374-A376 PolarHBondContact O-N 3.22Å; V374-K377 PolarHBondContact O-N 3.46Å; V374-L378 HydrophobicContact CG1-CD1 3.67Å; V374-L378 HydrophobicContact CG1-CG 4.29Å; V374-L378 WeakPolarHBondContact O-CB 3.16Å; V374-L378 VanDerWaalsContact O-CG 3.26Å; V374-L378 WeakPolarHBondContact O-CG 3.39Å; V374-L378 PolarHBondContact O-N 3.43Å
375Q93.7Very high88.5Confident76 Ų7677.7 Ų77.736%0.35538%0.375SS..Hα-helixtrans-62.7-39176.3-74178.1-3.700112.3M309 V371 T372 K379M309-Q375 HydrophobicContact CE-CG 4.19Å; M309-Q375 HydrophobicContact SD-CG 3.73Å; V371-Q375 HydrophobicContact CG1-CG 4.39Å; V371-Q375 WeakPolarHBondContact O-CG 3.4Å; V371-Q375 PolarHBondContact O-N 3.47Å; T372-Q375 PolarHBondContact O-N 3.37Å; Q375-K379 WeakPolarHBondContact O-CB 3.4Å; Q375-K379 VanDerWaalsContact O-CG 3.27Å; Q375-K379 WeakPolarHBondContact O-CG 3.19Å; Q375-K379 PolarHBondContact O-N 3.47Å; Q375-K379 VanDerWaalsContact O-N 3.09Å
376A93Very high88.4Confident59 Ų5977.1 Ų77.149%0.48837%0.373SS..Hα-helixtrans-64.6-48176.300000111.6T372 L373 V374 K379 S380T372-A376 WeakPolarHBondContact O-CB 3.27Å; T372-A376 PolarHBondContact O-N 3.22Å; L373-A376 PolarHBondContact O-N 2.87Å; V374-A376 VanDerWaalsContact C-N 3.32Å; V374-A376 PolarHBondContact O-N 3.22Å; A376-K379 PolarHBondContact O-N 3.16Å; A376-S380 PolarHBondContact O-N 2.61Å; A376-S380 VanDerWaalsContact O-N 3.13Å
377K92.3Very high88.3Confident73 Ų7380.5 Ų80.532%0.31739%0.388SS..Hα-helixtrans-60.7-45.8176.4-78.7-168.6169.8-169.40112.4E321 L373 V374 K379 S380 D381E321-K377 IonicContact OE2-NZ 3.64Å; E321-K377 PolarHBondContact OE2-NZ 2.8Å; L373-K377 PolarHBondContact O-N 3.48Å; V374-K377 PolarHBondContact O-N 3.46Å; K377-K379 PolarHBondContact O-N 3.32Å; K377-S380 PolarHBondContact O-N 3.39Å; K377-S380 VanDerWaalsContact O-N 3.16Å; K377-S380 PolarHBondContact O-OG 2.68Å; K377-D381 PolarHBondContact O-N 3.28Å
378L91.2Very high88.1Confident15 Ų1585.5 Ų85.58%0.07941%0.411CS..Hα-helixtrans-67-27.9-179.8-70.8172000112.6M309 W312 T314 T318 V374 Y382M309-L378 HydrophobicContact CE-CD1 3.44Å; M309-L378 VanDerWaalsContact CE-CD1 3.44Å; W312-L378 HydrophobicContact CH2-CD1 3.62Å; W312-L378 HydrophobicContact CZ2-CD1 3.8Å; W312-L378 HydrophobicContact CZ2-CD2 3.99Å; T314-L378 HydrophobicContact CG2-CD2 3.9Å; T318-L378 HydrophobicContact CG2-CD2 4.23Å; V374-L378 HydrophobicContact CG1-CD1 3.67Å; V374-L378 HydrophobicContact CG1-CG 4.29Å; V374-L378 WeakPolarHBondContact O-CB 3.16Å; V374-L378 VanDerWaalsContact O-CG 3.26Å; V374-L378 WeakPolarHBondContact O-CG 3.39Å; V374-L378 PolarHBondContact O-N 3.43Å; L378-Y382 WeakPolarHBondContact O-CD2 3.29Å
379K89.1Confident87.7Confident157 Ų15781.9 Ų81.968%0.68340%0.403SS*.Hα-helixtrans-77.3-25.8173.9-76.7177.2-179.3-178.90113.3Q375 A376 K377 Y382Q375-K379 WeakPolarHBondContact O-CB 3.4Å; Q375-K379 VanDerWaalsContact O-CG 3.27Å; Q375-K379 WeakPolarHBondContact O-CG 3.19Å; Q375-K379 PolarHBondContact O-N 3.47Å; Q375-K379 VanDerWaalsContact O-N 3.09Å; A376-K379 PolarHBondContact O-N 3.16Å; K377-K379 PolarHBondContact O-N 3.32Å; K379-Y382 VanDerWaalsContact O-OXT 3.1Å
380S83.5Confident87.4Confident85 Ų8576.8 Ų76.859%0.59439%0.392SS*.Hα-helixtrans-78.4-21.5178.358.20000113.5A376 K377 Y382A376-S380 PolarHBondContact O-N 2.61Å; A376-S380 VanDerWaalsContact O-N 3.13Å; K377-S380 PolarHBondContact O-N 3.39Å; K377-S380 VanDerWaalsContact O-N 3.16Å; K377-S380 PolarHBondContact O-OG 2.68Å; S380-Y382 VanDerWaalsContact C-N 3.3Å
381D70.8Confident86.9Confident119 Ų11982.6 Ų82.664%0.63642%0.421SS*.  trans-83.6-6.3179.3-65.8-14.7000113.1K377K377-D381 PolarHBondContact O-N 3.28Å
382Y55Low86.3Confident238 Ų23889.7 Ų89.793%0.93346%0.457SS*.  trans-110.80172-72.8-72.2000110L378 K379 S380L378-Y382 WeakPolarHBondContact O-CD2 3.29Å; K379-Y382 VanDerWaalsContact O-OXT 3.1Å; S380-Y382 VanDerWaalsContact C-N 3.3Å

Retrieved 382 of 382 residues in 274 ms (Link to these results)