A0A3Q0KT76_SCHMA Loading...

Tubulin tyrosine ligase-related

AlphaFold DB , UniProt , Accession A0A3Q0KT76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 609 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
1M74.3Confident54.6Low122 Ų122100.8 Ų100.860%0.60153%0.529SS*.  0124.60-52.2-166.7-9900107W27 N28 I29 V131 R134M1-W27 HydrophobicContact CB-CE3 4.13Å; M1-W27 HydrophobicContact CB-CZ3 4.35Å; M1-N28 CarbonylContact C-O 3.42Å; M1-N28 WeakPolarHBondContact CA-O 3.47Å; M1-I29 HydrophobicContact CB-CD1 4.19Å; M1-I29 HydrophobicContact CG-CD1 3.5Å; M1-I29 HydrophobicContact SD-CD1 4Å; M1-V131 HydrophobicContact CE-CG2 4.43Å; M1-V131 HydrophobicContact SD-CG2 4.36Å; M1-R134 PolarHBondContact SD-NH1 3.25Å
2Q68.9Low52.9Low110 Ų110104.6 Ų104.651%0.51455%0.55SS.*EExtended strand (participates in β ladder)trans-116.4133.2174.2-180173.6-8.700107.6N28 L30Q2-N28 PolarHBondContact N-O 3.07Å; Q2-N28 PolarHBondContact O-N 3.3Å; Q2-L30 HydrophobicContact CB-CD1 4.23Å; Q2-L30 VanDerWaalsContact OE1-CD1 3.25Å
3Q70.9Confident51.5Low78 Ų78109.2 Ų109.236%0.36458%0.575SS.*EExtended strand (participates in β ladder)trans-82.6133.7172.9-166.6168.81500108.5R25 W27Q3-R25 VanDerWaalsContact NE2-CD 3.31Å; Q3-W27 HydrophobicContact CB-CD2 4.49Å; Q3-W27 HydrophobicContact CB-CE3 4.1Å; Q3-W27 HydrophobicContact CB-CH2 4.19Å; Q3-W27 HydrophobicContact CB-CZ3 3.95Å; Q3-W27 HydrophobicContact CG-CH2 4.44Å; Q3-W27 HydrophobicContact CG-CZ2 4.35Å
4I66.4Low50.3Low73 Ų73111.3 Ų111.337%0.37459%0.587SS.*EExtended strand (participates in β ladder)trans-111.3127.7176-58.4180000106.4R25 D26 N28I4-R25 WeakPolarHBondContact O-CA 3.34Å; I4-D26 PolarHBondContact N-O 2.65Å; I4-D26 PolarHBondContact O-N 3.01Å; I4-N28 HydrophobicContact CD1-CB 3.51Å; I4-N28 HydrophobicContact CG1-CB 4.13Å
5E62.1Low49.1Very low113 Ų113115.9 Ų115.953%0.52861%0.605SS.*EExtended strand (participates in β ladder)trans-104.6133.6174-68.4-172.1152.100108.5V23 N24 R25E5-V23 HydrophobicContact CB-CG1 3.74Å; E5-V23 HydrophobicContact CG-CG1 3.98Å; E5-N24 WeakPolarHBondContact CA-O 3.46Å; E5-R25 HydrophobicContact CG-CG 3.94Å; E5-R25 IonicContact OE1-CZ 2.64Å; E5-R25 IonicContact OE1-NE 3.71Å; E5-R25 PolarHBondContact OE1-NE 3.24Å; E5-R25 IonicContact OE1-NH2 2.97Å; E5-R25 PolarHBondContact OE1-NH2 2.75Å
6Y59.2Low48.1Very low89 Ų89120.3 Ų120.335%0.34963%0.626SS.*EExtended strand (participates in β ladder)trans-139.4149.1174.261.4-84000110.1N24 D26Y6-N24 HydrophobicContact CD1-CB 4.27Å; Y6-N24 HydrophobicContact CD2-CB 3.87Å; Y6-N24 HydrophobicContact CE1-CB 3.81Å; Y6-N24 HydrophobicContact CE2-CB 3.38Å; Y6-N24 HydrophobicContact CG-CB 4.3Å; Y6-N24 PolarHBondContact N-O 2.99Å; Y6-N24 PolarHBondContact O-N 3.02Å; Y6-D26 HydrophobicContact CE1-CB 3.87Å; Y6-D26 WeakPolarHBondContact CE1-OD2 3.25Å; Y6-D26 PolarHBondContact OH-OD2 2.83Å
7T42.9Very low47.2Very low62 Ų62116.6 Ų116.638%0.3863%0.625SS.*EExtended strand (participates in β ladder)trans-100.3136.8172.946.40000108.4D9 L21 V23T7-D9 PolarHBondContact O-N 2.99Å; T7-D9 VanDerWaalsContact O-N 3.1Å; T7-L21 HydrophobicContact CG2-CB 4.44Å; T7-V23 HydrophobicContact CG2-CG2 4.35Å
8N46.9Very low46.3Very low74 Ų74117.3 Ų117.340%0.39664%0.64SS.*  trans-71.9101.1165.6-70.51.3000106.6E10 N24N8-E10 PolarHBondContact O-N 2.86Å; N8-N24 VanDerWaalsContact CG-ND2 3.32Å; N8-N24 PolarHBondContact ND2-ND2 2.77Å; N8-N24 PolarHBondContact OD1-ND2 2.84Å
9D37Very low45.7Very low142 Ų142120.5 Ų120.576%0.75965%0.65SS**  trans-74.375.7167.3-77.7-12000107.7T7 G11T7-D9 PolarHBondContact O-N 2.99Å; T7-D9 VanDerWaalsContact O-N 3.1Å; D9-G11 PolarHBondContact O-N 3.1Å; D9-G11 VanDerWaalsContact O-N 3.11Å
10E39Very low45Very low174 Ų174123.8 Ų123.881%0.81366%0.661SS**  trans-73.599.3162.6-76.3-170.6-169.100107.3N8 D12N8-E10 PolarHBondContact O-N 2.86Å; E10-D12 PolarHBondContact O-N 3.05Å; E10-D12 VanDerWaalsContact O-N 3.14Å
11G33Very low44.5Very low72 Ų72123.8 Ų123.874%0.74266%0.661SS**  trans-64.5109.5176.700000110.9D9D9-G11 PolarHBondContact O-N 3.1Å; D9-G11 VanDerWaalsContact O-N 3.11Å
12D34.4Very low42.7Very low146 Ų146122.6 Ų122.678%0.78166%0.66SS**  trans-138.397.8143-109.9-21.2000107.6E10 N14E10-D12 PolarHBondContact O-N 3.05Å; E10-D12 VanDerWaalsContact O-N 3.14Å; D12-N14 PolarHBondContact O-N 3.37Å
13D35.2Very low41.3Very low164 Ų164120.7 Ų120.788%0.87766%0.656SS**  trans-64.975.5167.7-85-33.2000108.6
14N34.1Very low40.6Very low139 Ų139119.6 Ų119.674%0.74365%0.653SS**  trans-154112.2162.4-80.5-48.5000112.1D12D12-N14 PolarHBondContact O-N 3.37Å
15E32.9Very low40.3Very low181 Ų181122.3 Ų122.385%0.84666%0.658SS**  trans63.290153.7-62.5-168.8158.600119.8G17E15-G17 PolarHBondContact O-N 3.22Å; E15-G17 VanDerWaalsContact O-N 3.11Å
16I32.2Very low40.9Very low185 Ų185118.6 Ų118.695%0.94964%0.642SS**  trans29.573134.5-44.3176.4000115.3
17G32.4Very low42Very low59 Ų59116.8 Ų116.861%0.60864%0.635SS**  trans-131.4126.5154.500000107.4E15 E19E15-G17 PolarHBondContact O-N 3.22Å; E15-G17 VanDerWaalsContact O-N 3.11Å; G17-E19 PolarHBondContact O-N 2.73Å
18S32.6Very low43.9Very low129 Ų129114.9 Ų114.990%0.90262%0.622SS**  trans-69.577.3176.4550000110
19E34.9Very low46Very low177 Ų177112 Ų11283%0.82761%0.607SS**  trans-80.1122164.9-70.6-173.4169.400107.4G17 L21G17-E19 PolarHBondContact O-N 2.73Å; E19-L21 PolarHBondContact O-N 2.89Å
20E31.8Very low48.7Very low186 Ų186107.1 Ų107.187%0.86958%0.58SS**  trans-56.7107.8176-75.8179.5150.800108.5T22E20-T22 PolarHBondContact O-N 3.13Å
21L32.8Very low51.2Low124 Ų12499 Ų9965%0.64954%0.543SS*.  trans-49.8112.6171.7-74.6159.1000108.6T7 E19 V23T7-L21 HydrophobicContact CG2-CB 4.44Å; E19-L21 PolarHBondContact O-N 2.89Å; L21-V23 PolarHBondContact O-N 3.08Å
22T37.9Very low53.9Low97 Ų97101 Ų10160%0.59554%0.544SS*.  trans-70.1101.9176.142.60000108.2E20 N24E20-T22 PolarHBondContact O-N 3.13Å; T22-N24 PolarHBondContact O-N 3.16Å; T22-N24 VanDerWaalsContact O-N 3.14Å
23V38.7Very low56.6Low70 Ų7096.4 Ų96.442%0.42452%0.523SS..EExtended strand (participates in β ladder)trans-74.7103174.1-178.90000107.9E5 T7 L21E5-V23 HydrophobicContact CB-CG1 3.74Å; E5-V23 HydrophobicContact CG-CG1 3.98Å; T7-V23 HydrophobicContact CG2-CG2 4.35Å; L21-V23 PolarHBondContact O-N 3.08Å
24N55.5Low59.2Low55 Ų5594.3 Ų94.329%0.29451%0.512SS..EExtended strand (participates in β ladder)trans-75.5142.2171.5-78.3-36000110E5 Y6 N8 T22E5-N24 WeakPolarHBondContact CA-O 3.46Å; Y6-N24 HydrophobicContact CD1-CB 4.27Å; Y6-N24 HydrophobicContact CD2-CB 3.87Å; Y6-N24 HydrophobicContact CE1-CB 3.81Å; Y6-N24 HydrophobicContact CE2-CB 3.38Å; Y6-N24 HydrophobicContact CG-CB 4.3Å; Y6-N24 PolarHBondContact N-O 2.99Å; Y6-N24 PolarHBondContact O-N 3.02Å; N8-N24 VanDerWaalsContact CG-ND2 3.32Å; N8-N24 PolarHBondContact ND2-ND2 2.77Å; N8-N24 PolarHBondContact OD1-ND2 2.84Å; T22-N24 PolarHBondContact O-N 3.16Å; T22-N24 VanDerWaalsContact O-N 3.14Å
25R61.9Low62Low130 Ų13092.4 Ų92.449%0.49150%0.499SS..EExtended strand (participates in β ladder)trans-122.7110.7-174-81.6163.3166.2179.57.6109.2Q3 I4 E5Q3-R25 VanDerWaalsContact NE2-CD 3.31Å; I4-R25 WeakPolarHBondContact O-CA 3.34Å; E5-R25 HydrophobicContact CG-CG 3.94Å; E5-R25 IonicContact OE1-CZ 2.64Å; E5-R25 IonicContact OE1-NE 3.71Å; E5-R25 PolarHBondContact OE1-NE 3.24Å; E5-R25 IonicContact OE1-NH2 2.97Å; E5-R25 PolarHBondContact OE1-NH2 2.75Å
26D73Confident64.9Low35 Ų3584.2 Ų84.219%0.18746%0.461CS..EExtended strand (participates in β ladder)trans-106.2166.5168-91.6-33.7000111.3I4 Y6 K98I4-D26 PolarHBondContact N-O 2.65Å; I4-D26 PolarHBondContact O-N 3.01Å; Y6-D26 HydrophobicContact CE1-CB 3.87Å; Y6-D26 WeakPolarHBondContact CE1-OD2 3.25Å; Y6-D26 PolarHBondContact OH-OD2 2.83Å; D26-K98 IonicContact OD1-NZ 2.71Å
27W82.2Confident67.9Low52 Ų5277.8 Ų77.820%0.19743%0.428CS..EExtended strand (participates in β ladder)trans-116.2140.6177.9-68.189000109.6M1 Q3 R134 Q136M1-W27 HydrophobicContact CB-CE3 4.13Å; M1-W27 HydrophobicContact CB-CZ3 4.35Å; Q3-W27 HydrophobicContact CB-CD2 4.49Å; Q3-W27 HydrophobicContact CB-CE3 4.1Å; Q3-W27 HydrophobicContact CB-CH2 4.19Å; Q3-W27 HydrophobicContact CB-CZ3 3.95Å; Q3-W27 HydrophobicContact CG-CH2 4.44Å; Q3-W27 HydrophobicContact CG-CZ2 4.35Å; W27-R134 HydrophobicContact CB-CB 3.78Å; W27-R134 HydrophobicContact CB-CG 3.61Å; W27-R134 HydrophobicContact CG-CG 3.83Å; W27-Q136 VanDerWaalsContact O-CG 3.23Å; W27-Q136 WeakPolarHBondContact O-CG 3.27Å; W27-Q136 PolarHBondContact O-NE2 3.29Å
28N84.2Confident71Confident22 Ų2278.3 Ų78.312%0.11842%0.419CS..EExtended strand (participates in β ladder)trans-118.9137.4170.5-168.87.3000110.3M1 Q2 I4 L30 S171M1-N28 CarbonylContact C-O 3.42Å; M1-N28 WeakPolarHBondContact CA-O 3.47Å; Q2-N28 PolarHBondContact N-O 3.07Å; Q2-N28 PolarHBondContact O-N 3.3Å; I4-N28 HydrophobicContact CD1-CB 3.51Å; I4-N28 HydrophobicContact CG1-CB 4.13Å; N28-L30 WeakPolarHBondContact ND2-CD2 3.3Å; N28-S171 PolarHBondContact ND2-OG 3.1Å
29I91Very high74Confident13 Ų1377.3 Ų77.37%0.06741%0.412CS..EExtended strand (participates in β ladder)trans-96.7121.1175.3-58.5-57.3000107.4M1 V131 R134 I135 I172M1-I29 HydrophobicContact CB-CD1 4.19Å; M1-I29 HydrophobicContact CG-CD1 3.5Å; M1-I29 HydrophobicContact SD-CD1 4Å; I29-V131 HydrophobicContact CD1-CG1 4.37Å; I29-R134 HydrophobicContact CD1-CB 3.78Å; I29-R134 HydrophobicContact CG1-CB 4.08Å; I29-I135 HydrophobicContact CB-CG1 4.19Å; I29-I135 HydrophobicContact CG1-CG1 3.79Å; I29-I135 HydrophobicContact CG2-CG1 4.47Å; I29-I172 HydrophobicContact CB-CB 4.17Å; I29-I172 HydrophobicContact CG2-CB 4Å; I29-I172 HydrophobicContact CG2-CD1 4Å; I29-I172 HydrophobicContact CG2-CG1 4.35Å; I29-I172 PolarHBondContact O-N 3.14Å
30L92.6Very high76.8Confident39 Ų3971.8 Ų71.820%0.20439%0.388CS..EExtended strand (participates in β ladder)trans-113147.3-179.6-57.7-175.7000110.6Q2 N28 C32 D170Q2-L30 HydrophobicContact CB-CD1 4.23Å; Q2-L30 VanDerWaalsContact OE1-CD1 3.25Å; N28-L30 WeakPolarHBondContact ND2-CD2 3.3Å; L30-C32 PolarHBondContact O-N 3.39Å; L30-D170 WeakPolarHBondContact CA-O 3.37Å
31V92.3Very high79.8Confident5 Ų567.5 Ų67.53%0.0338%0.379CS..  trans-64.1122.3171.5179.60000109.7S33 L36 L166 Q167 N169 D170 I172V31-S33 WeakPolarHBondContact CG1-OG 3.29Å; V31-L36 HydrophobicContact CG1-CB 4.08Å; V31-L36 HydrophobicContact CG2-CB 4.46Å; V31-L36 HydrophobicContact CG2-CD2 4.45Å; V31-L166 HydrophobicContact CG2-CB 3.83Å; V31-L166 HydrophobicContact CG2-CD1 3.96Å; V31-Q167 WeakPolarHBondContact CB-O 3.29Å; V31-N169 PolarHBondContact O-N 3.11Å; V31-D170 HydrophobicContact CG2-CB 4.41Å; V31-D170 PolarHBondContact N-O 2.92Å; V31-I172 HydrophobicContact CG2-CD1 4.07Å; V31-I172 HydrophobicContact CG2-CG1 3.97Å
32C90.3Very high82.7Confident113 Ų11367.3 Ų67.376%0.76438%0.379SS*.  trans-94.2-24179.564.80000113.7L30L30-C32 PolarHBondContact O-N 3.39Å
33S89.4Confident85.4Confident49 Ų4963.8 Ų63.834%0.34336%0.356SS..SBendtrans-74.2164173.256.10000110.9V31 Q35 R168V31-S33 WeakPolarHBondContact CG1-OG 3.29Å; S33-Q35 VanDerWaalsContact C-N 3.28Å; S33-Q35 PolarHBondContact O-N 3.23Å; S33-Q35 PolarHBondContact OG-O 3.2Å; S33-R168 VanDerWaalsContact O-CA 3.26Å; S33-R168 WeakPolarHBondContact O-CA 3.2Å; S33-R168 WeakPolarHBondContact O-CB 3.39Å
34D90.4Very high88.1Confident121 Ų12165.1 Ų65.165%0.64736%0.36SS*.SBendtrans-61.6-41.3175.3-67.6-29.1000111.2R168D34-R168 PolarHBondContact O-N 2.88Å
35Q92.8Very high89.9Confident99 Ų9966.6 Ų66.646%0.46336%0.363SS..EExtended strand (participates in β ladder)trans-141.6150.7177.7-59-168.5-30.400111.1S33 L37 L166S33-Q35 VanDerWaalsContact C-N 3.28Å; S33-Q35 PolarHBondContact O-N 3.23Å; S33-Q35 PolarHBondContact OG-O 3.2Å; Q35-L37 HydrophobicContact CB-CD2 4.17Å; Q35-L37 HydrophobicContact CB-CG 4.26Å; Q35-L166 CarbonylContact C-O 3.46Å; Q35-L166 WeakPolarHBondContact CA-O 3.42Å
36L93.5Very high91.5Very high9 Ų966.1 Ų66.15%0.04737%0.37CS..EExtended strand (participates in β ladder)trans-128.298.6168.6-167.777.6000107.3V31 N43 F45 P162 L166V31-L36 HydrophobicContact CG1-CB 4.08Å; V31-L36 HydrophobicContact CG2-CB 4.46Å; V31-L36 HydrophobicContact CG2-CD2 4.45Å; L36-N43 HydrophobicContact CD1-CB 3.94Å; L36-N43 VanDerWaalsContact CD1-CG 3.48Å; L36-N43 WeakPolarHBondContact CD1-OD1 3.4Å; L36-N43 HydrophobicContact CG-CB 4.39Å; L36-F45 HydrophobicContact CD1-CE2 3.93Å; L36-F45 HydrophobicContact CD1-CZ 3.88Å; L36-P162 HydrophobicContact CD2-CB 3.96Å; L36-P162 HydrophobicContact CD2-CG 4.09Å; L36-P162 HydrophobicContact CG-CB 4.35Å; L36-P162 HydrophobicContact CG-CG 4.09Å; L36-L166 HydrophobicContact CB-CB 4.26Å; L36-L166 HydrophobicContact CD2-CD1 4.29Å; L36-L166 PolarHBondContact N-O 2.78Å; L36-L166 PolarHBondContact O-N 3.26Å
37L96.1Very high92.5Very high50 Ų5064.9 Ų64.926%0.26236%0.364SS..  trans-95.2139.2-172.4-57.6177.9000111.2Q35 S39 D40 N43 D165Q35-L37 HydrophobicContact CB-CD2 4.17Å; Q35-L37 HydrophobicContact CB-CG 4.26Å; L37-S39 PolarHBondContact O-N 3.45Å; L37-D40 HydrophobicContact CB-CB 4.46Å; L37-D40 PolarHBondContact O-N 3.28Å; L37-N43 PolarHBondContact N-ND2 3.46Å; L37-N43 PolarHBondContact O-ND2 3.49Å; L37-D165 WeakPolarHBondContact CA-OD1 3.25Å; L37-D165 HydrophobicContact CD2-CB 3.98Å
38V96.2Very high93.1Very high70 Ų7065.9 Ų65.942%0.42437%0.373SS..THydrogen-bonded Turntrans-65.8-30.7175.6-179.20000111.5D40 P162 K164 D165V38-D40 VanDerWaalsContact C-N 3.29Å; V38-D40 PolarHBondContact O-N 3.44Å; V38-P162 HydrophobicContact CG2-CB 4.4Å; V38-P162 HydrophobicContact CG2-CG 4.49Å; V38-K164 VanDerWaalsContact CG2-CA 3.49Å; V38-D165 PolarHBondContact N-OD1 3.4Å
39S95.9Very high93.6Very high108 Ų10865.6 Ų65.676%0.75537%0.371SS*.THydrogen-bonded Turntrans-74.8-15-17857.20000114.4L37L37-S39 PolarHBondContact O-N 3.45Å
40D95.3Very high93.8Very high61 Ų6165.8 Ų65.833%0.32637%0.374SS..  trans-90.1114.6-179.7-178-1.5000110.7L37 V38 N42 N43L37-D40 HydrophobicContact CB-CB 4.46Å; L37-D40 PolarHBondContact O-N 3.28Å; V38-D40 VanDerWaalsContact C-N 3.29Å; V38-D40 PolarHBondContact O-N 3.44Å; D40-N42 PolarHBondContact O-N 2.62Å; D40-N42 VanDerWaalsContact O-N 3.11Å; D40-N42 WeakPolarHBondContact OD1-CB 3.16Å; D40-N42 PolarHBondContact OD1-N 2.98Å; D40-N42 PolarHBondContact OD1-ND2 3.11Å; D40-N43 WeakPolarHBondContact CB-ND2 3.15Å; D40-N43 WeakPolarHBondContact O-CB 3.49Å; D40-N43 PolarHBondContact O-N 3.14Å
41S93.6Very high93.9Very high95 Ų9564.4 Ų64.466%0.66437%0.366SS*.THydrogen-bonded Turntrans-63-16.2179.456.10000114.3N43S41-N43 VanDerWaalsContact C-N 3.28Å
42N93.9Very high94Very high121 Ų12166.7 Ų66.765%0.64738%0.381SS*.THydrogen-bonded Turntrans-78.8-12.2174.6-58.7-63.5000112.7D40 I44D40-N42 PolarHBondContact O-N 2.62Å; D40-N42 VanDerWaalsContact O-N 3.11Å; D40-N42 WeakPolarHBondContact OD1-CB 3.16Å; D40-N42 PolarHBondContact OD1-N 2.98Å; D40-N42 PolarHBondContact OD1-ND2 3.11Å; N42-I44 PolarHBondContact O-N 3.01Å; N42-I44 VanDerWaalsContact O-N 3.09Å
43N94.2Very high94Very high22 Ų2261.5 Ų61.512%0.11835%0.345CS..  trans-85.235.7177.4-65.6-26.3000112.4L36 L37 D40 S41 F45 P162L36-N43 HydrophobicContact CD1-CB 3.94Å; L36-N43 VanDerWaalsContact CD1-CG 3.48Å; L36-N43 WeakPolarHBondContact CD1-OD1 3.4Å; L36-N43 HydrophobicContact CG-CB 4.39Å; L37-N43 PolarHBondContact N-ND2 3.46Å; L37-N43 PolarHBondContact O-ND2 3.49Å; D40-N43 WeakPolarHBondContact CB-ND2 3.15Å; D40-N43 WeakPolarHBondContact O-CB 3.49Å; D40-N43 PolarHBondContact O-N 3.14Å; S41-N43 VanDerWaalsContact C-N 3.28Å; N43-F45 VanDerWaalsContact C-CE2 3.43Å; N43-F45 HydrophobicContact CB-CE2 4.09Å; N43-F45 HydrophobicContact CB-CZ 4.46Å; N43-F45 WeakPolarHBondContact O-CE2 3.46Å; N43-P162 HydrophobicContact CB-CG 4.19Å; N43-P162 WeakPolarHBondContact O-CD 3.48Å
44I94.9Very high93.9Very high98 Ų9861.3 Ų61.350%0.50334%0.34SS..  trans-115118.3171.2-58.2175.1000106.8N42 V159 W161N42-I44 PolarHBondContact O-N 3.01Å; N42-I44 VanDerWaalsContact O-N 3.09Å; I44-V159 HydrophobicContact CG2-CG1 3.56Å; I44-W161 HydrophobicContact CG1-CB 4.27Å
45F94.8Very high93.6Very high86 Ų8656.7 Ų56.738%0.37732%0.316SS..EExtended strand (participates in β ladder)trans-114.5152.3-171.9-54.1-91.2000110.4L36 N43 F160L36-F45 HydrophobicContact CD1-CE2 3.93Å; L36-F45 HydrophobicContact CD1-CZ 3.88Å; N43-F45 VanDerWaalsContact C-CE2 3.43Å; N43-F45 HydrophobicContact CB-CE2 4.09Å; N43-F45 HydrophobicContact CB-CZ 4.46Å; N43-F45 WeakPolarHBondContact O-CE2 3.46Å; F45-F160 HydrophobicContact CB-CD1 4.12Å; F45-F160 AromaticContact CD2-CD1 3.73Å; F45-F160 HydrophobicContact CD2-CD1 3.73Å; F45-F160 HydrophobicContact CD2-CE1 4.07Å; F45-F160 HydrophobicContact CG-CD1 4.3Å; F45-F160 PolarHBondContact N-O 2.81Å; F45-F160 PolarHBondContact O-N 2.91Å
46L94.4Very high93Very high120 Ų12057.4 Ų57.463%0.62832%0.319SS*.EExtended strand (participates in β ladder)trans-101.4133.7169.2-59.9179000108.3S158 V159L46-S158 WeakPolarHBondContact CA-O 3.39Å; L46-V159 HydrophobicContact CD2-CG2 4.01Å
47V95.1Very high92.6Very high10 Ų1058.7 Ų58.76%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-114.1128174.7-175.60000107.3L128 M145 S158 F160V47-L128 HydrophobicContact CB-CD2 4.47Å; V47-L128 HydrophobicContact CG1-CB 4.23Å; V47-L128 HydrophobicContact CG1-CD2 3.85Å; V47-L128 HydrophobicContact CG1-CG 4.43Å; V47-M145 HydrophobicContact CG2-CE 4.14Å; V47-S158 PolarHBondContact N-O 3.33Å; V47-S158 PolarHBondContact O-N 3.04Å; V47-F160 HydrophobicContact CG2-CB 3.86Å
48D94.2Very high92.3Very high72 Ų7256.4 Ų56.439%0.38532%0.317SS..EExtended strand (participates in β ladder)trans-78.3153.5-174-165.429.9000111.5L128 D129D48-L128 CarbonylContact O-C 3.59Å; D48-L128 WeakPolarHBondContact O-CA 3.4Å; D48-D129 HydrophobicContact CB-CB 4.24Å; D48-D129 PolarHBondContact N-OD2 2.99Å; D48-D129 PolarHBondContact O-N 2.6Å
49H94.6Very high92Very high17 Ų1756.9 Ų56.98%0.07931%0.314CS..EExtended strand (participates in β ladder)trans-95.493.3173.1-68.6-171.5000107.8W51 Y126 V127 C156 Y157 S158H49-W51 PolarHBondContact O-N 2.93Å; H49-Y126 HydrophobicContact CB-CD2 4.36Å; H49-Y126 AromaticContact CD2-CD2 3.56Å; H49-Y126 AromaticContact CD2-CE2 3.71Å; H49-Y126 AromaticContact CE1-CD2 3.45Å; H49-Y126 VanDerWaalsContact CE1-CD2 3.45Å; H49-Y126 WeakPolarHBondContact CE1-CD2 3.45Å; H49-Y126 AromaticContact CE1-CE2 3.44Å; H49-Y126 VanDerWaalsContact CE1-CE2 3.44Å; H49-Y126 WeakPolarHBondContact CE1-CE2 3.08Å; H49-Y126 AromaticContact CE1-CG 3.73Å; H49-Y126 AromaticContact CE1-CZ 3.72Å; H49-Y126 AromaticContact CG-CD2 3.59Å; H49-Y126 AromaticContact ND1-CD2 3.54Å; H49-Y126 AromaticContact ND1-CG 3.61Å; H49-Y126 AromaticContact NE2-CD2 3.47Å; H49-Y126 WeakPolarHBondContact NE2-CD2 3.29Å; H49-Y126 AromaticContact NE2-CE2 3.22Å; H49-Y126 WeakPolarHBondContact NE2-CE2 3.39Å; H49-Y126 AromaticContact NE2-CZ 3.8Å; H49-V127 CarbonylContact C-O 3.57Å; H49-C156 VanDerWaalsContact ND1-CB 3.32Å; H49-C156 WeakPolarHBondContact ND1-CB 3.44Å; H49-Y157 PolarHBondContact NE2-O 3.45Å; H49-S158 PolarHBondContact NE2-N 3.48Å; H49-S158 PolarHBondContact NE2-OG 3.41Å
50A94.7Very high91.8Very high16 Ų1658.1 Ų58.113%0.13231%0.308CS..EExtended strand (participates in β ladder)trans-57.5-31.7-17800000113.5R71 M72 V127A50-R71 VanDerWaalsContact CB-CZ 3.47Å; A50-M72 HydrophobicContact CB-CE 4.07Å; A50-V127 PolarHBondContact N-O 3.21Å
51W95.6Very high91.6Very high10 Ų1056.4 Ų56.44%0.03830%0.3CS..EExtended strand (participates in β ladder)trans-147136.2177.3-173.524.2000109.9H49 F53 M58 C61 L62 L68 M72 I92 V96 Y126 V127H49-W51 PolarHBondContact O-N 2.93Å; W51-F53 AromaticContact CD1-CD1 3.97Å; W51-F53 AromaticContact CD2-CD1 3.36Å; W51-F53 HydrophobicContact CD2-CD1 3.36Å; W51-F53 AromaticContact CD2-CE1 3.64Å; W51-F53 HydrophobicContact CD2-CE1 3.64Å; W51-F53 HydrophobicContact CD2-CG 4.3Å; W51-F53 AromaticContact CE2-CD1 3.32Å; W51-F53 AromaticContact CE2-CE1 3.93Å; W51-F53 AromaticContact CE2-CG 3.8Å; W51-F53 AromaticContact CE3-CD1 3.77Å; W51-F53 HydrophobicContact CE3-CD1 3.77Å; W51-F53 AromaticContact CE3-CE1 3.51Å; W51-F53 HydrophobicContact CE3-CE1 3.51Å; W51-F53 HydrophobicContact CE3-CZ 4.37Å; W51-F53 AromaticContact CG-CD1 3.8Å; W51-F53 HydrophobicContact CG-CD1 3.8Å; W51-F53 HydrophobicContact CG-CE1 4.31Å; W51-F53 HydrophobicContact CH2-CD1 4.1Å; W51-F53 HydrophobicContact CH2-CE1 4.01Å; W51-F53 HydrophobicContact CH2-CG 4.43Å; W51-F53 HydrophobicContact CH2-CZ 4.29Å; W51-F53 HydrophobicContact CZ2-CB 4.23Å; W51-F53 AromaticContact CZ2-CD1 3.72Å; W51-F53 HydrophobicContact CZ2-CD1 3.72Å; W51-F53 HydrophobicContact CZ2-CD2 4.44Å; W51-F53 HydrophobicContact CZ2-CE1 4.12Å; W51-F53 AromaticContact CZ2-CG 3.88Å; W51-F53 HydrophobicContact CZ2-CG 3.88Å; W51-F53 HydrophobicContact CZ3-CD1 4.12Å; W51-F53 AromaticContact CZ3-CE1 3.7Å; W51-F53 HydrophobicContact CZ3-CE1 3.7Å; W51-F53 HydrophobicContact CZ3-CZ 4.14Å; W51-F53 AromaticContact NE1-CD1 3.67Å; W51-M58 HydrophobicContact CH2-CG 3.37Å; W51-M58 HydrophobicContact CH2-SD 4.31Å; W51-M58 HydrophobicContact CZ2-CB 4.48Å; W51-M58 HydrophobicContact CZ2-CG 3.75Å; W51-M58 HydrophobicContact CZ3-CG 4.4Å; W51-C61 HydrophobicContact CZ2-CB 4.43Å; W51-C61 PolarHBondContact NE1-SG 3.33Å; W51-L62 HydrophobicContact CH2-CD1 3.69Å; W51-L62 HydrophobicContact CH2-CD2 3.7Å; W51-L62 HydrophobicContact CH2-CG 3.63Å; W51-L62 HydrophobicContact CZ2-CD1 4.31Å; W51-L62 HydrophobicContact CZ2-CD2 3.92Å; W51-L62 HydrophobicContact CZ2-CG 3.79Å; W51-L62 HydrophobicContact CZ3-CD1 4.42Å; W51-L62 HydrophobicContact CZ3-CD2 4.05Å; W51-L62 HydrophobicContact CZ3-CG 4.43Å; W51-L68 HydrophobicContact CB-CD1 3.95Å; W51-L68 HydrophobicContact CD2-CD1 4.48Å; W51-L68 HydrophobicContact CD2-CD2 4.2Å; W51-L68 HydrophobicContact CG-CD1 3.97Å; W51-L68 HydrophobicContact CG-CD2 3.96Å; W51-L68 HydrophobicContact CG-CG 4.49Å; W51-M72 HydrophobicContact CB-SD 4.17Å; W51-M72 HydrophobicContact CE3-CG 3.9Å; W51-M72 HydrophobicContact CE3-SD 3.82Å; W51-M72 HydrophobicContact CZ3-CG 4.34Å; W51-I92 HydrophobicContact CH2-CG2 4.45Å; W51-I92 HydrophobicContact CZ3-CG2 4.04Å; W51-V96 HydrophobicContact CE3-CG2 4.37Å; W51-V96 HydrophobicContact CZ3-CG2 3.88Å; W51-Y126 CarbonylContact O-C 3.13Å; W51-Y126 WeakPolarHBondContact O-CA 3.48Å; W51-Y126 VanDerWaalsContact O-CB 3.29Å; W51-Y126 WeakPolarHBondContact O-CB 3.44Å; W51-V127 HydrophobicContact CB-CB 4.32Å; W51-V127 HydrophobicContact CE3-CG2 4.14Å; W51-V127 PolarHBondContact N-O 2.8Å; W51-V127 PolarHBondContact O-N 2.95Å
52T93.5Very high91.7Very high54 Ų5451.9 Ų51.933%0.33127%0.268SS..EExtended strand (participates in β ladder)trans-131133.1172.2-63.80000108.2Y103 M124 W125T52-Y103 WeakPolarHBondContact CG2-OH 3.28Å; T52-M124 HydrophobicContact CG2-CE 3.87Å; T52-W125 CarbonylContact C-O 3.55Å; T52-W125 VanDerWaalsContact CA-O 3.29Å; T52-W125 WeakPolarHBondContact CA-O 3.25Å
53F91.8Very high91.8Very high4 Ų449.2 Ų49.22%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-154.8159.3-174.559.1-84.5000112.1W51 M58 V96 C100 W125 V127W51-F53 AromaticContact CD1-CD1 3.97Å; W51-F53 AromaticContact CD2-CD1 3.36Å; W51-F53 HydrophobicContact CD2-CD1 3.36Å; W51-F53 AromaticContact CD2-CE1 3.64Å; W51-F53 HydrophobicContact CD2-CE1 3.64Å; W51-F53 HydrophobicContact CD2-CG 4.3Å; W51-F53 AromaticContact CE2-CD1 3.32Å; W51-F53 AromaticContact CE2-CE1 3.93Å; W51-F53 AromaticContact CE2-CG 3.8Å; W51-F53 AromaticContact CE3-CD1 3.77Å; W51-F53 HydrophobicContact CE3-CD1 3.77Å; W51-F53 AromaticContact CE3-CE1 3.51Å; W51-F53 HydrophobicContact CE3-CE1 3.51Å; W51-F53 HydrophobicContact CE3-CZ 4.37Å; W51-F53 AromaticContact CG-CD1 3.8Å; W51-F53 HydrophobicContact CG-CD1 3.8Å; W51-F53 HydrophobicContact CG-CE1 4.31Å; W51-F53 HydrophobicContact CH2-CD1 4.1Å; W51-F53 HydrophobicContact CH2-CE1 4.01Å; W51-F53 HydrophobicContact CH2-CG 4.43Å; W51-F53 HydrophobicContact CH2-CZ 4.29Å; W51-F53 HydrophobicContact CZ2-CB 4.23Å; W51-F53 AromaticContact CZ2-CD1 3.72Å; W51-F53 HydrophobicContact CZ2-CD1 3.72Å; W51-F53 HydrophobicContact CZ2-CD2 4.44Å; W51-F53 HydrophobicContact CZ2-CE1 4.12Å; W51-F53 AromaticContact CZ2-CG 3.88Å; W51-F53 HydrophobicContact CZ2-CG 3.88Å; W51-F53 HydrophobicContact CZ3-CD1 4.12Å; W51-F53 AromaticContact CZ3-CE1 3.7Å; W51-F53 HydrophobicContact CZ3-CE1 3.7Å; W51-F53 HydrophobicContact CZ3-CZ 4.14Å; W51-F53 AromaticContact NE1-CD1 3.67Å; F53-M58 HydrophobicContact CD2-CB 3.79Å; F53-M58 HydrophobicContact CD2-CG 3.78Å; F53-M58 HydrophobicContact CD2-SD 4.2Å; F53-M58 HydrophobicContact CE2-CB 4.09Å; F53-M58 HydrophobicContact CE2-CG 3.67Å; F53-M58 HydrophobicContact CE2-SD 3.5Å; F53-M58 WeakPolarHBondContact CE2-SD 3.24Å; F53-M58 HydrophobicContact CG-CG 4.49Å; F53-M58 HydrophobicContact CZ-CG 4.29Å; F53-M58 HydrophobicContact CZ-SD 4Å; F53-V96 HydrophobicContact CE1-CG2 4.38Å; F53-V96 HydrophobicContact CZ-CG2 4.05Å; F53-C100 VanDerWaalsContact CZ-SG 3.56Å; F53-W125 HydrophobicContact CD2-CB 4.16Å; F53-W125 HydrophobicContact CE1-CB 4.2Å; F53-W125 HydrophobicContact CE2-CB 3.78Å; F53-W125 HydrophobicContact CE2-CG 4.37Å; F53-W125 HydrophobicContact CZ-CB 3.82Å; F53-W125 PolarHBondContact N-O 3.17Å; F53-W125 PolarHBondContact O-N 2.79Å; F53-V127 HydrophobicContact CE1-CG2 4.29Å
54D87Confident91.8Very high44 Ų4453.6 Ų53.624%0.23527%0.274CS..  trans-94.3157.5156.770.587.6000109.1Q56 S57 M58 M124D54-Q56 VanDerWaalsContact C-N 3.27Å; D54-Q56 PolarHBondContact O-N 2.97Å; D54-Q56 WeakPolarHBondContact OD1-CA 3.35Å; D54-Q56 WeakPolarHBondContact OD1-CB 3.37Å; D54-Q56 PolarHBondContact OD1-N 2.86Å; D54-S57 PolarHBondContact O-N 3.07Å; D54-S57 PolarHBondContact O-OG 2.81Å; D54-S57 PolarHBondContact OD1-N 2.86Å; D54-S57 WeakPolarHBondContact OD2-CB 3.44Å; D54-S57 PolarHBondContact OD2-OG 2.97Å; D54-M58 PolarHBondContact O-N 2.83Å; D54-M124 HydrophobicContact CB-SD 4.43Å
55V83.7Confident91.8Very high24 Ų2454.6 Ų54.615%0.14527%0.272CS..THydrogen-bonded Turntrans-63.4-33.2-172.9-177.20000112.6S57 M58 W97 W125V55-S57 VanDerWaalsContact C-N 3.34Å; V55-M58 WeakPolarHBondContact O-CB 3.41Å; V55-M58 PolarHBondContact O-N 3.15Å; V55-W97 HydrophobicContact CG2-CH2 4.12Å; V55-W125 VanDerWaalsContact CG2-NE1 3.32Å
56Q80.6Confident91.8Very high114 Ų11453.7 Ų53.753%0.53328%0.275SS..THydrogen-bonded Turntrans-72.7-29.6-177.9-65.717014.800111.7D54D54-Q56 VanDerWaalsContact C-N 3.27Å; D54-Q56 PolarHBondContact O-N 2.97Å; D54-Q56 WeakPolarHBondContact OD1-CA 3.35Å; D54-Q56 WeakPolarHBondContact OD1-CB 3.37Å; D54-Q56 PolarHBondContact OD1-N 2.86Å
57S84.2Confident91.8Very high36 Ų3652.4 Ų52.425%0.25228%0.275SS..THydrogen-bonded Turntrans-90.9-7.3178.468.50000114.3D54 V55 K59 Q60 C61D54-S57 PolarHBondContact O-N 3.07Å; D54-S57 PolarHBondContact O-OG 2.81Å; D54-S57 PolarHBondContact OD1-N 2.86Å; D54-S57 WeakPolarHBondContact OD2-CB 3.44Å; D54-S57 PolarHBondContact OD2-OG 2.97Å; V55-S57 VanDerWaalsContact C-N 3.34Å; S57-K59 PolarHBondContact O-N 3.33Å; S57-Q60 PolarHBondContact O-N 3.26Å; S57-C61 VanDerWaalsContact O-CB 3.25Å; S57-C61 WeakPolarHBondContact O-CB 3.38Å; S57-C61 PolarHBondContact O-N 2.83Å
58M90Very high91.8Very high2 Ų253 Ų531%0.0128%0.278CS..Hα-helixtrans-51.6-60.5-171.8-173.6177.948.800113.4W51 F53 D54 V55 Q60 C61 L62 C93 V96 W97W51-M58 HydrophobicContact CH2-CG 3.37Å; W51-M58 HydrophobicContact CH2-SD 4.31Å; W51-M58 HydrophobicContact CZ2-CB 4.48Å; W51-M58 HydrophobicContact CZ2-CG 3.75Å; W51-M58 HydrophobicContact CZ3-CG 4.4Å; F53-M58 HydrophobicContact CD2-CB 3.79Å; F53-M58 HydrophobicContact CD2-CG 3.78Å; F53-M58 HydrophobicContact CD2-SD 4.2Å; F53-M58 HydrophobicContact CE2-CB 4.09Å; F53-M58 HydrophobicContact CE2-CG 3.67Å; F53-M58 HydrophobicContact CE2-SD 3.5Å; F53-M58 WeakPolarHBondContact CE2-SD 3.24Å; F53-M58 HydrophobicContact CG-CG 4.49Å; F53-M58 HydrophobicContact CZ-CG 4.29Å; F53-M58 HydrophobicContact CZ-SD 4Å; D54-M58 PolarHBondContact O-N 2.83Å; V55-M58 WeakPolarHBondContact O-CB 3.41Å; V55-M58 PolarHBondContact O-N 3.15Å; M58-Q60 PolarHBondContact O-N 3.16Å; M58-C61 WeakPolarHBondContact O-CB 3.42Å; M58-C61 PolarHBondContact O-N 2.8Å; M58-L62 PolarHBondContact O-N 3.31Å; M58-C93 HydrophobicContact CE-CB 3.51Å; M58-C93 VanDerWaalsContact CE-SG 3.55Å; M58-C93 HydrophobicContact SD-CB 4.15Å; M58-V96 HydrophobicContact SD-CG1 3.91Å; M58-W97 HydrophobicContact CE-CZ2 4.37Å
59K90.8Very high92Very high81 Ų8149.7 Ų49.735%0.35226%0.26SS..Hα-helixtrans-65.1-41-178.6-173.3168.6178.9166.20111.9S57 C61 L62 L63 A89 S90S57-K59 PolarHBondContact O-N 3.33Å; K59-C61 VanDerWaalsContact C-N 3.32Å; K59-C61 PolarHBondContact O-N 2.89Å; K59-L62 PolarHBondContact O-N 2.88Å; K59-L63 HydrophobicContact CG-CD1 4.18Å; K59-L63 WeakPolarHBondContact O-CG 3.21Å; K59-L63 PolarHBondContact O-N 3.26Å; K59-L63 VanDerWaalsContact O-N 3.13Å; K59-A89 HydrophobicContact CG-CB 4.37Å; K59-S90 WeakPolarHBondContact CE-OG 3.48Å; K59-S90 PolarHBondContact NZ-OG 3.2Å
60Q90.1Very high92Very high134 Ų13455 Ų5563%0.62629%0.285SS*.Hα-helixtrans-62.4-40.1177.9-176.3-179.9-6.800111.8S57 M58 L63 Q64S57-Q60 PolarHBondContact O-N 3.26Å; M58-Q60 PolarHBondContact O-N 3.16Å; Q60-L63 PolarHBondContact O-N 2.85Å; Q60-Q64 VanDerWaalsContact O-CB 3.24Å; Q60-Q64 WeakPolarHBondContact O-CB 3.43Å; Q60-Q64 PolarHBondContact O-N 3.02Å
61C93Very high92Very high24 Ų2458 Ų5816%0.16229%0.293CS..Hα-helixtrans-61.8-47.4178.1-170.80000111W51 S57 M58 K59 L63 Q64 Y65W51-C61 HydrophobicContact CZ2-CB 4.43Å; W51-C61 PolarHBondContact NE1-SG 3.33Å; S57-C61 VanDerWaalsContact O-CB 3.25Å; S57-C61 WeakPolarHBondContact O-CB 3.38Å; S57-C61 PolarHBondContact O-N 2.83Å; M58-C61 WeakPolarHBondContact O-CB 3.42Å; M58-C61 PolarHBondContact O-N 2.8Å; K59-C61 VanDerWaalsContact C-N 3.32Å; K59-C61 PolarHBondContact O-N 2.89Å; C61-L63 PolarHBondContact O-N 2.61Å; C61-Q64 PolarHBondContact O-N 3.11Å; C61-Y65 WeakPolarHBondContact O-CD2 3.46Å; C61-Y65 PolarHBondContact O-N 3.03Å
62L95.2Very high92.1Very high0 Ų057.5 Ų57.50%029%0.291CS..Hα-helixtrans-59.3-45.4177.3-67.1170.1000112.1W51 M58 K59 Q64 Y65 L68 L69 M72 A89 I92W51-L62 HydrophobicContact CH2-CD1 3.69Å; W51-L62 HydrophobicContact CH2-CD2 3.7Å; W51-L62 HydrophobicContact CH2-CG 3.63Å; W51-L62 HydrophobicContact CZ2-CD1 4.31Å; W51-L62 HydrophobicContact CZ2-CD2 3.92Å; W51-L62 HydrophobicContact CZ2-CG 3.79Å; W51-L62 HydrophobicContact CZ3-CD1 4.42Å; W51-L62 HydrophobicContact CZ3-CD2 4.05Å; W51-L62 HydrophobicContact CZ3-CG 4.43Å; M58-L62 PolarHBondContact O-N 3.31Å; K59-L62 PolarHBondContact O-N 2.88Å; L62-Q64 VanDerWaalsContact C-N 3.33Å; L62-Q64 PolarHBondContact O-N 3.35Å; L62-Y65 CarbonylContact O-C 3.58Å; L62-Y65 PolarHBondContact O-N 3.37Å; L62-L68 HydrophobicContact CD2-CD2 4.29Å; L62-L68 HydrophobicContact CD2-CG 4.16Å; L62-L69 HydrophobicContact CB-CD1 4.48Å; L62-M72 HydrophobicContact CD2-CB 4.43Å; L62-M72 HydrophobicContact CD2-CG 4.24Å; L62-A89 HydrophobicContact CB-CB 4.07Å; L62-A89 HydrophobicContact CD1-CB 4.14Å; L62-I92 HydrophobicContact CD1-CB 3.86Å; L62-I92 HydrophobicContact CD1-CD1 4.25Å; L62-I92 HydrophobicContact CD1-CG2 3.59Å; L62-I92 HydrophobicContact CD2-CD1 4.19Å; L62-I92 HydrophobicContact CD2-CG2 4.16Å
63L94.7Very high92.2Very high65 Ų6554.9 Ų54.934%0.3428%0.276SS..Hα-helixtrans-69.2-31.2179.7-65.7174.7000113K59 Q60 C61 N85 E86 A89K59-L63 HydrophobicContact CG-CD1 4.18Å; K59-L63 WeakPolarHBondContact O-CG 3.21Å; K59-L63 PolarHBondContact O-N 3.26Å; K59-L63 VanDerWaalsContact O-N 3.13Å; Q60-L63 PolarHBondContact O-N 2.85Å; C61-L63 PolarHBondContact O-N 2.61Å; L63-N85 HydrophobicContact CD2-CB 4.16Å; L63-E86 HydrophobicContact CD2-CG 4.32Å; L63-A89 HydrophobicContact CD2-CB 3.96Å; L63-A89 HydrophobicContact CG-CB 4.24Å
64Q95.4Very high92.2Very high115 Ų11558.7 Ų58.754%0.53730%0.302SS..Hα-helixtrans-75.5-27.2177.9-174.6173.92.100112.7Q60 C61 L62Q60-Q64 VanDerWaalsContact O-CB 3.24Å; Q60-Q64 WeakPolarHBondContact O-CB 3.43Å; Q60-Q64 PolarHBondContact O-N 3.02Å; C61-Q64 PolarHBondContact O-N 3.11Å; L62-Q64 VanDerWaalsContact C-N 3.33Å; L62-Q64 PolarHBondContact O-N 3.35Å
65Y95.5Very high92.5Very high118 Ų11856.9 Ų56.946%0.46329%0.293SS..  trans-124.586.4-175.5-58.4-71.2000111.5C61 L62 S67 L68 L69C61-Y65 WeakPolarHBondContact O-CD2 3.46Å; C61-Y65 PolarHBondContact O-N 3.03Å; L62-Y65 CarbonylContact O-C 3.58Å; L62-Y65 PolarHBondContact O-N 3.37Å; Y65-S67 VanDerWaalsContact C-N 3.28Å; Y65-S67 PolarHBondContact O-N 2.78Å; Y65-L68 WeakPolarHBondContact O-CB 3.3Å; Y65-L68 PolarHBondContact O-N 3.29Å; Y65-L69 PolarHBondContact O-N 2.86Å; Y65-L69 VanDerWaalsContact O-N 3.16Å
66P93.1Very high92.9Very high68 Ų6856.3 Ų56.344%0.44229%0.289SS..Hα-helixtrans-56.4-35.7-176.6-28.235.1000114.9L68 L69 E70P66-L68 VanDerWaalsContact C-N 3.27Å; P66-L68 PolarHBondContact O-N 3.25Å; P66-L69 WeakPolarHBondContact O-CB 3.25Å; P66-L69 PolarHBondContact O-N 3.33Å; P66-E70 PolarHBondContact O-N 3.27Å
67S95Very high93.4Very high92 Ų9255.1 Ų55.164%0.64329%0.286SS*.Hα-helixtrans-66.1-30176.855.20000113.1Y65 R71Y65-S67 VanDerWaalsContact C-N 3.28Å; Y65-S67 PolarHBondContact O-N 2.78Å; S67-R71 VanDerWaalsContact O-CB 3.27Å; S67-R71 WeakPolarHBondContact O-CB 3.38Å; S67-R71 PolarHBondContact O-N 3.29Å; S67-R71 VanDerWaalsContact O-N 3.14Å
68L96Very high93.7Very high22 Ų2254.5 Ų54.512%0.11528%0.279CS..Hα-helixtrans-72.7-42.6173175.365.7000110.2W51 L62 Y65 P66 R71 M72W51-L68 HydrophobicContact CB-CD1 3.95Å; W51-L68 HydrophobicContact CD2-CD1 4.48Å; W51-L68 HydrophobicContact CD2-CD2 4.2Å; W51-L68 HydrophobicContact CG-CD1 3.97Å; W51-L68 HydrophobicContact CG-CD2 3.96Å; W51-L68 HydrophobicContact CG-CG 4.49Å; L62-L68 HydrophobicContact CD2-CD2 4.29Å; L62-L68 HydrophobicContact CD2-CG 4.16Å; Y65-L68 WeakPolarHBondContact O-CB 3.3Å; Y65-L68 PolarHBondContact O-N 3.29Å; P66-L68 VanDerWaalsContact C-N 3.27Å; P66-L68 PolarHBondContact O-N 3.25Å; L68-R71 PolarHBondContact O-N 2.9Å; L68-M72 HydrophobicContact CD1-CE 4.22Å; L68-M72 HydrophobicContact CD1-CG 3.8Å; L68-M72 HydrophobicContact CD1-SD 4.38Å; L68-M72 HydrophobicContact CG-CG 4.21Å; L68-M72 WeakPolarHBondContact O-CB 3.28Å; L68-M72 VanDerWaalsContact O-CG 3.31Å; L68-M72 WeakPolarHBondContact O-CG 3.12Å; L68-M72 PolarHBondContact O-N 2.88Å
69L96.5Very high93.7Very high3 Ų359 Ų592%0.01630%0.304CS..Hα-helixtrans-57.1-50176.2-179.3152.1000111.2L62 Y65 P66 R71 M72 A73 N85 I88 A89 I92L62-L69 HydrophobicContact CB-CD1 4.48Å; Y65-L69 PolarHBondContact O-N 2.86Å; Y65-L69 VanDerWaalsContact O-N 3.16Å; P66-L69 WeakPolarHBondContact O-CB 3.25Å; P66-L69 PolarHBondContact O-N 3.33Å; L69-R71 PolarHBondContact O-N 2.96Å; L69-M72 PolarHBondContact O-N 3.13Å; L69-A73 VanDerWaalsContact O-CB 3.29Å; L69-A73 WeakPolarHBondContact O-CB 3.43Å; L69-A73 PolarHBondContact O-N 3.39Å; L69-N85 HydrophobicContact CD1-CB 4.02Å; L69-I88 HydrophobicContact CD2-CB 4.15Å; L69-I88 HydrophobicContact CD2-CD1 4.26Å; L69-I88 HydrophobicContact CD2-CG2 3.6Å; L69-I88 HydrophobicContact CG-CG2 4.02Å; L69-A89 HydrophobicContact CD1-CB 4.17Å; L69-I92 HydrophobicContact CG-CD1 4.12Å; L69-I92 WeakPolarHBondContact O-CD1 3.47Å
70E95Very high93.6Very high129 Ų12958.3 Ų58.360%0.60331%0.306SS*.Hα-helixtrans-60.8-43.3176.4-71.5176.5-17600112.1P66 S74P66-E70 PolarHBondContact O-N 3.27Å; E70-S74 WeakPolarHBondContact O-CB 3.21Å; E70-S74 PolarHBondContact O-N 3.49Å
71R95.6Very high93.5Very high78 Ų7857.9 Ų57.929%0.29431%0.308SS..Hα-helixtrans-63-46179-172.7-176.9-177-166.40.5111.8A50 S67 L68 L69 L75 E130A50-R71 VanDerWaalsContact CB-CZ 3.47Å; S67-R71 VanDerWaalsContact O-CB 3.27Å; S67-R71 WeakPolarHBondContact O-CB 3.38Å; S67-R71 PolarHBondContact O-N 3.29Å; S67-R71 VanDerWaalsContact O-N 3.14Å; L68-R71 PolarHBondContact O-N 2.9Å; L69-R71 PolarHBondContact O-N 2.96Å; R71-L75 WeakPolarHBondContact O-CB 3.3Å; R71-L75 PolarHBondContact O-N 2.85Å; R71-E130 IonicContact CZ-OE1 3.71Å; R71-E130 IonicContact CZ-OE2 3.03Å; R71-E130 IonicContact NE-OE1 3.02Å; R71-E130 PolarHBondContact NE-OE1 2.99Å; R71-E130 IonicContact NE-OE2 3.44Å; R71-E130 IonicContact NH2-OE1 2.96Å; R71-E130 PolarHBondContact NH2-OE1 3.22Å; R71-E130 IonicContact NH2-OE2 2.72Å; R71-E130 PolarHBondContact NH2-OE2 2.76Å
72M96.8Very high93.2Very high0 Ų064.5 Ų64.50%034%0.342CS..Hα-helixtrans-69.9-41179.5-67.5-58.995.500111.5A50 W51 L62 L68 L69 S74 L75 M76 I92 V127A50-M72 HydrophobicContact CB-CE 4.07Å; W51-M72 HydrophobicContact CB-SD 4.17Å; W51-M72 HydrophobicContact CE3-CG 3.9Å; W51-M72 HydrophobicContact CE3-SD 3.82Å; W51-M72 HydrophobicContact CZ3-CG 4.34Å; L62-M72 HydrophobicContact CD2-CB 4.43Å; L62-M72 HydrophobicContact CD2-CG 4.24Å; L68-M72 HydrophobicContact CD1-CE 4.22Å; L68-M72 HydrophobicContact CD1-CG 3.8Å; L68-M72 HydrophobicContact CD1-SD 4.38Å; L68-M72 HydrophobicContact CG-CG 4.21Å; L68-M72 WeakPolarHBondContact O-CB 3.28Å; L68-M72 VanDerWaalsContact O-CG 3.31Å; L68-M72 WeakPolarHBondContact O-CG 3.12Å; L68-M72 PolarHBondContact O-N 2.88Å; L69-M72 PolarHBondContact O-N 3.13Å; M72-S74 VanDerWaalsContact C-N 3.34Å; M72-S74 PolarHBondContact O-N 3.39Å; M72-L75 HydrophobicContact CE-CD2 3.97Å; M72-L75 PolarHBondContact O-N 3.03Å; M72-L75 HydrophobicContact SD-CD2 4.38Å; M72-M76 HydrophobicContact CB-CE 4.18Å; M72-M76 WeakPolarHBondContact O-CB 3.34Å; M72-M76 VanDerWaalsContact O-CG 3.25Å; M72-M76 WeakPolarHBondContact O-CG 3.38Å; M72-M76 PolarHBondContact O-N 3.16Å; M72-M76 HydrophobicContact SD-CE 4.09Å; M72-I92 HydrophobicContact CB-CD1 3.97Å; M72-I92 HydrophobicContact CB-CG1 4.33Å; M72-I92 HydrophobicContact CB-CG2 4.01Å; M72-V127 HydrophobicContact SD-CB 4.24Å; M72-V127 HydrophobicContact SD-CG1 3.99Å
73A95.5Very high92.9Very high0 Ų069 Ų690%036%0.362CS..Hα-helixtrans-58.6-47.117400000111.2L69 L75 M76 N77 I78 T80 I88 I92L69-A73 VanDerWaalsContact O-CB 3.29Å; L69-A73 WeakPolarHBondContact O-CB 3.43Å; L69-A73 PolarHBondContact O-N 3.39Å; A73-L75 PolarHBondContact O-N 2.93Å; A73-M76 CarbonylContact O-C 3.45Å; A73-M76 PolarHBondContact O-N 2.91Å; A73-N77 PolarHBondContact O-N 3.09Å; A73-I78 HydrophobicContact CB-CB 4.17Å; A73-I78 PolarHBondContact O-N 3.28Å; A73-T80 HydrophobicContact CB-CG2 3.47Å; A73-T80 VanDerWaalsContact CB-CG2 3.47Å; A73-I88 HydrophobicContact CB-CG2 3.91Å; A73-I92 HydrophobicContact CB-CD1 4.2Å
74S93.1Very high92.9Very high83 Ų8368.7 Ų68.758%0.5837%0.365SS*.Hα-helixtrans-63.4-41176.4179.20000112.8E70 M72 M76 N77E70-S74 WeakPolarHBondContact O-CB 3.21Å; E70-S74 PolarHBondContact O-N 3.49Å; M72-S74 VanDerWaalsContact C-N 3.34Å; M72-S74 PolarHBondContact O-N 3.39Å; S74-M76 VanDerWaalsContact C-N 3.28Å; S74-M76 PolarHBondContact O-N 3.41Å; S74-N77 PolarHBondContact O-N 3.31Å
75L92.1Very high92.8Very high6 Ų666.9 Ų66.93%0.03136%0.359CS..Hα-helixtrans-63.1-37.2178.9-178.262.5000112R71 M72 A73 V127 E130R71-L75 WeakPolarHBondContact O-CB 3.3Å; R71-L75 PolarHBondContact O-N 2.85Å; M72-L75 HydrophobicContact CE-CD2 3.97Å; M72-L75 PolarHBondContact O-N 3.03Å; M72-L75 HydrophobicContact SD-CD2 4.38Å; A73-L75 PolarHBondContact O-N 2.93Å; L75-V127 HydrophobicContact CD2-CG1 3.61Å; L75-E130 HydrophobicContact CD1-CG 4.42Å
76M92.8Very high92.6Very high13 Ų1366.3 Ų66.36%0.06436%0.36CS..THydrogen-bonded Turntrans-94.87.5-176.7-57.9176.2-16600113.1M72 A73 S74 I78 I92 N95 V96 Y99M72-M76 HydrophobicContact CB-CE 4.18Å; M72-M76 WeakPolarHBondContact O-CB 3.34Å; M72-M76 VanDerWaalsContact O-CG 3.25Å; M72-M76 WeakPolarHBondContact O-CG 3.38Å; M72-M76 PolarHBondContact O-N 3.16Å; M72-M76 HydrophobicContact SD-CE 4.09Å; A73-M76 CarbonylContact O-C 3.45Å; A73-M76 PolarHBondContact O-N 2.91Å; S74-M76 VanDerWaalsContact C-N 3.28Å; S74-M76 PolarHBondContact O-N 3.41Å; M76-I78 HydrophobicContact CB-CD1 3.86Å; M76-I78 HydrophobicContact CB-CG1 4.02Å; M76-I78 PolarHBondContact O-N 2.93Å; M76-I78 HydrophobicContact SD-CD1 4.31Å; M76-I92 HydrophobicContact CE-CG2 4.06Å; M76-I92 HydrophobicContact SD-CB 4.47Å; M76-I92 HydrophobicContact SD-CG2 3.93Å; M76-N95 HydrophobicContact SD-CB 4.5Å; M76-V96 HydrophobicContact CE-CB 3.98Å; M76-V96 HydrophobicContact CE-CG2 3.6Å; M76-V96 HydrophobicContact SD-CB 4.38Å; M76-Y99 HydrophobicContact CB-CE2 4Å; M76-Y99 HydrophobicContact CE-CD2 4.25Å; M76-Y99 HydrophobicContact CG-CD2 3.71Å; M76-Y99 HydrophobicContact CG-CE2 3.56Å; M76-Y99 HydrophobicContact CG-CG 4.4Å; M76-Y99 HydrophobicContact SD-CD2 4.21Å; M76-Y99 HydrophobicContact SD-CE2 4.45Å
77N90.6Very high92.6Very high88 Ų8866.8 Ų66.847%0.47136%0.359SS..THydrogen-bonded Turntrans55.533.3-176.4-54.7-50.4000114.3A73 S74A73-N77 PolarHBondContact O-N 3.09Å; S74-N77 PolarHBondContact O-N 3.31Å
78I91.7Very high92.6Very high23 Ų2362.6 Ų62.612%0.11833%0.329CS..  trans-81.8133.2177.1-64.2166.6000109.2A73 M76 T80 I88 D91 I92 N95A73-I78 HydrophobicContact CB-CB 4.17Å; A73-I78 PolarHBondContact O-N 3.28Å; M76-I78 HydrophobicContact CB-CD1 3.86Å; M76-I78 HydrophobicContact CB-CG1 4.02Å; M76-I78 PolarHBondContact O-N 2.93Å; M76-I78 HydrophobicContact SD-CD1 4.31Å; I78-T80 PolarHBondContact O-N 3.45Å; I78-I88 HydrophobicContact CG2-CG2 4.46Å; I78-D91 HydrophobicContact CD1-CB 4.11Å; I78-D91 HydrophobicContact CG2-CB 3.97Å; I78-I92 HydrophobicContact CD1-CB 4.19Å; I78-I92 HydrophobicContact CD1-CG1 3.56Å; I78-N95 HydrophobicContact CD1-CB 4.49Å
79N89Confident92.5Very high97 Ų9761.6 Ų61.652%0.51932%0.324SS..  trans-72.5126.2176.9-175.212.6000110.5L81N79-L81 WeakPolarHBondContact OD1-CB 3.19Å; N79-L81 PolarHBondContact OD1-N 3.17Å
80T88.4Confident92.3Very high67 Ų6763.3 Ų63.341%0.41134%0.337SS..  trans-109.20.2178.864.70000113.1A73 I78 N82 I88A73-T80 HydrophobicContact CB-CG2 3.47Å; A73-T80 VanDerWaalsContact CB-CG2 3.47Å; I78-T80 PolarHBondContact O-N 3.45Å; T80-N82 PolarHBondContact O-N 2.95Å; T80-I88 HydrophobicContact CG2-CD1 4.04Å; T80-I88 HydrophobicContact CG2-CG1 4.47Å; T80-I88 HydrophobicContact CG2-CG2 4.16Å
81L88.4Confident92.2Very high124 Ų12460.5 Ų60.565%0.64933%0.326SS*.THydrogen-bonded Turntrans-70.1112.2-175.6-79.9149.1000111.1N79 E83N79-L81 WeakPolarHBondContact OD1-CB 3.19Å; N79-L81 PolarHBondContact OD1-N 3.17Å; L81-E83 PolarHBondContact O-N 3.32Å
82N86.9Confident92.2Very high164 Ų16456.8 Ų56.888%0.87731%0.312SS*.THydrogen-bonded Turntrans64.310.9178.5-50.1-54.2000115.6T80T80-N82 PolarHBondContact O-N 2.95Å
83E89.8Confident92Very high93 Ų9357.7 Ų57.744%0.43532%0.317SS..  trans-87.7139.3176.6-66.5-58.1149.100111L81 I88L81-E83 PolarHBondContact O-N 3.32Å; E83-I88 HydrophobicContact CB-CD1 4.08Å; E83-I88 HydrophobicContact CB-CG1 3.77Å
84P93.6Very high91.8Very high60 Ų6064 Ų6439%0.3935%0.345SS..  trans-59.2148.1169.9-22.233.8000112.1E86 D87 I88P84-E86 PolarHBondContact O-N 2.71Å; P84-D87 WeakPolarHBondContact CD-OD2 3.36Å; P84-D87 WeakPolarHBondContact CG-OD2 3.46Å; P84-D87 PolarHBondContact O-N 3.2Å; P84-D87 VanDerWaalsContact O-N 3.11Å; P84-I88 WeakPolarHBondContact O-CG1 3.35Å; P84-I88 PolarHBondContact O-N 2.99Å; P84-I88 VanDerWaalsContact O-N 3.09Å
85N93.5Very high91.8Very high77 Ų7763.7 Ų63.741%0.41234%0.337SS..Hα-helixtrans-60.6-31.6177.8-76-6.7000112.4L63 L69 D87 A89L63-N85 HydrophobicContact CD2-CB 4.16Å; L69-N85 HydrophobicContact CD1-CB 4.02Å; N85-D87 VanDerWaalsContact C-N 3.32Å; N85-D87 PolarHBondContact O-N 3.43Å; N85-A89 WeakPolarHBondContact O-CB 3.36Å; N85-A89 PolarHBondContact O-N 3.04Å
86E92.2Very high92Very high105 Ų10563.4 Ų63.449%0.49134%0.335SS..Hα-helixtrans-62.6-37.8176.3-69.479.2-173.800113L63 P84 S90L63-E86 HydrophobicContact CD2-CG 4.32Å; P84-E86 PolarHBondContact O-N 2.71Å; E86-S90 WeakPolarHBondContact O-CB 2.93Å; E86-S90 PolarHBondContact O-N 3.41Å; E86-S90 VanDerWaalsContact O-N 3.11Å; E86-S90 PolarHBondContact O-OG 3.44Å
87D92.1Very high92Very high78 Ų7862.9 Ų62.942%0.41733%0.333SS..Hα-helixtrans-77.5-46-179.3-63-28.4000109.6P84 N85 A89 S90 D91P84-D87 WeakPolarHBondContact CD-OD2 3.36Å; P84-D87 WeakPolarHBondContact CG-OD2 3.46Å; P84-D87 PolarHBondContact O-N 3.2Å; P84-D87 VanDerWaalsContact O-N 3.11Å; N85-D87 VanDerWaalsContact C-N 3.32Å; N85-D87 PolarHBondContact O-N 3.43Å; D87-A89 VanDerWaalsContact C-N 3.28Å; D87-A89 PolarHBondContact O-N 3.21Å; D87-S90 WeakPolarHBondContact O-CA 3.21Å; D87-S90 WeakPolarHBondContact O-CB 3.16Å; D87-S90 PolarHBondContact O-N 3.36Å; D87-D91 PolarHBondContact O-N 3.39Å
88I95.1Very high92.1Very high5 Ų561.2 Ų61.23%0.02632%0.321CS..Hα-helixtrans-55.7-44.6172.7-59.6165.5000110.8L69 A73 I78 T80 E83 P84 S90 D91 I92L69-I88 HydrophobicContact CD2-CB 4.15Å; L69-I88 HydrophobicContact CD2-CD1 4.26Å; L69-I88 HydrophobicContact CD2-CG2 3.6Å; L69-I88 HydrophobicContact CG-CG2 4.02Å; A73-I88 HydrophobicContact CB-CG2 3.91Å; I78-I88 HydrophobicContact CG2-CG2 4.46Å; T80-I88 HydrophobicContact CG2-CD1 4.04Å; T80-I88 HydrophobicContact CG2-CG1 4.47Å; T80-I88 HydrophobicContact CG2-CG2 4.16Å; E83-I88 HydrophobicContact CB-CD1 4.08Å; E83-I88 HydrophobicContact CB-CG1 3.77Å; P84-I88 WeakPolarHBondContact O-CG1 3.35Å; P84-I88 PolarHBondContact O-N 2.99Å; P84-I88 VanDerWaalsContact O-N 3.09Å; I88-S90 VanDerWaalsContact C-N 3.3Å; I88-S90 PolarHBondContact O-N 2.77Å; I88-D91 PolarHBondContact O-N 2.84Å; I88-I92 HydrophobicContact CG2-CD1 3.93Å; I88-I92 HydrophobicContact CG2-CG1 4.47Å; I88-I92 VanDerWaalsContact O-CG1 3.27Å; I88-I92 WeakPolarHBondContact O-CG1 3.49Å; I88-I92 PolarHBondContact O-N 2.96Å
89A94.2Very high92.2Very high0 Ų061.9 Ų61.90%032%0.323CS..Hα-helixtrans-63.4-37.7177.700000111.9K59 L62 L63 L69 N85 D87 I92 C93K59-A89 HydrophobicContact CG-CB 4.37Å; L62-A89 HydrophobicContact CB-CB 4.07Å; L62-A89 HydrophobicContact CD1-CB 4.14Å; L63-A89 HydrophobicContact CD2-CB 3.96Å; L63-A89 HydrophobicContact CG-CB 4.24Å; L69-A89 HydrophobicContact CD1-CB 4.17Å; N85-A89 WeakPolarHBondContact O-CB 3.36Å; N85-A89 PolarHBondContact O-N 3.04Å; D87-A89 VanDerWaalsContact C-N 3.28Å; D87-A89 PolarHBondContact O-N 3.21Å; A89-I92 PolarHBondContact O-N 3.01Å; A89-C93 WeakPolarHBondContact O-CB 3.4Å; A89-C93 PolarHBondContact O-N 2.93Å; A89-C93 PolarHBondContact O-SG 3.19Å
90S91.7Very high92.2Very high40 Ų4057.3 Ų57.328%0.2830%0.298SS..Hα-helixtrans-67.7-41.2177.7-56.40000111.2K59 E86 D87 I88 C93 K94K59-S90 WeakPolarHBondContact CE-OG 3.48Å; K59-S90 PolarHBondContact NZ-OG 3.2Å; E86-S90 WeakPolarHBondContact O-CB 2.93Å; E86-S90 PolarHBondContact O-N 3.41Å; E86-S90 VanDerWaalsContact O-N 3.11Å; E86-S90 PolarHBondContact O-OG 3.44Å; D87-S90 WeakPolarHBondContact O-CA 3.21Å; D87-S90 WeakPolarHBondContact O-CB 3.16Å; D87-S90 PolarHBondContact O-N 3.36Å; I88-S90 VanDerWaalsContact C-N 3.3Å; I88-S90 PolarHBondContact O-N 2.77Å; S90-C93 WeakPolarHBondContact O-CB 3.41Å; S90-C93 PolarHBondContact O-N 3.25Å; S90-K94 PolarHBondContact O-N 2.94Å
91D92.9Very high92.4Very high70 Ų7056.4 Ų56.437%0.37429%0.287SS..Hα-helixtrans-64.4-40.9174.6-75.9-17.6000112.1I78 D87 I88 K94 N95I78-D91 HydrophobicContact CD1-CB 4.11Å; I78-D91 HydrophobicContact CG2-CB 3.97Å; D87-D91 PolarHBondContact O-N 3.39Å; I88-D91 PolarHBondContact O-N 2.84Å; D91-K94 PolarHBondContact O-N 3.09Å; D91-N95 WeakPolarHBondContact O-CB 3.18Å; D91-N95 PolarHBondContact O-N 3.26Å; D91-N95 PolarHBondContact O-ND2 2.85Å
92I95.7Very high92.6Very high0 Ų053.5 Ų53.50%027%0.268CS..Hα-helixtrans-59.3-50.8172.4-68.7162.8000109.3W51 L62 L69 M72 A73 M76 I78 I88 A89 K94 N95 V96W51-I92 HydrophobicContact CH2-CG2 4.45Å; W51-I92 HydrophobicContact CZ3-CG2 4.04Å; L62-I92 HydrophobicContact CD1-CB 3.86Å; L62-I92 HydrophobicContact CD1-CD1 4.25Å; L62-I92 HydrophobicContact CD1-CG2 3.59Å; L62-I92 HydrophobicContact CD2-CD1 4.19Å; L62-I92 HydrophobicContact CD2-CG2 4.16Å; L69-I92 HydrophobicContact CG-CD1 4.12Å; L69-I92 WeakPolarHBondContact O-CD1 3.47Å; M72-I92 HydrophobicContact CB-CD1 3.97Å; M72-I92 HydrophobicContact CB-CG1 4.33Å; M72-I92 HydrophobicContact CB-CG2 4.01Å; A73-I92 HydrophobicContact CB-CD1 4.2Å; M76-I92 HydrophobicContact CE-CG2 4.06Å; M76-I92 HydrophobicContact SD-CB 4.47Å; M76-I92 HydrophobicContact SD-CG2 3.93Å; I78-I92 HydrophobicContact CD1-CB 4.19Å; I78-I92 HydrophobicContact CD1-CG1 3.56Å; I88-I92 HydrophobicContact CG2-CD1 3.93Å; I88-I92 HydrophobicContact CG2-CG1 4.47Å; I88-I92 VanDerWaalsContact O-CG1 3.27Å; I88-I92 WeakPolarHBondContact O-CG1 3.49Å; I88-I92 PolarHBondContact O-N 2.96Å; A89-I92 PolarHBondContact O-N 3.01Å; I92-K94 PolarHBondContact O-N 3.28Å; I92-K94 VanDerWaalsContact O-N 3.16Å; I92-N95 PolarHBondContact O-N 2.76Å; I92-N95 VanDerWaalsContact O-N 3.11Å; I92-V96 VanDerWaalsContact O-CB 3.27Å; I92-V96 WeakPolarHBondContact O-CB 3.07Å; I92-V96 PolarHBondContact O-N 2.66Å
93C93Very high92.7Very high18 Ų1847.2 Ų47.212%0.12223%0.232CC..Hα-helixtrans-58.8-29.8-179.7-67.80000113.1M58 A89 S90 W97M58-C93 HydrophobicContact CE-CB 3.51Å; M58-C93 VanDerWaalsContact CE-SG 3.55Å; M58-C93 HydrophobicContact SD-CB 4.15Å; A89-C93 WeakPolarHBondContact O-CB 3.4Å; A89-C93 PolarHBondContact O-N 2.93Å; A89-C93 PolarHBondContact O-SG 3.19Å; S90-C93 WeakPolarHBondContact O-CB 3.41Å; S90-C93 PolarHBondContact O-N 3.25Å; C93-W97 PolarHBondContact O-NE1 3.24Å
94K91.6Very high92.5Very high133 Ų13345.8 Ų45.858%0.57822%0.224SC*.Hα-helixtrans-76.2-41.2175.9-172-179.6178.6-177.80112.4S90 D91 I92 N394S90-K94 PolarHBondContact O-N 2.94Å; D91-K94 PolarHBondContact O-N 3.09Å; I92-K94 PolarHBondContact O-N 3.28Å; I92-K94 VanDerWaalsContact O-N 3.16Å; K94-N394 PolarHBondContact O-ND2 2.93Å
95N93.5Very high92Very high77 Ų7745.9 Ų45.941%0.41222%0.221SC..Hα-helixtrans-94.3-12.9-172.8-69.5-78.8000114.4M76 I78 D91 I92 W97 K98M76-N95 HydrophobicContact SD-CB 4.5Å; I78-N95 HydrophobicContact CD1-CB 4.49Å; D91-N95 WeakPolarHBondContact O-CB 3.18Å; D91-N95 PolarHBondContact O-N 3.26Å; D91-N95 PolarHBondContact O-ND2 2.85Å; I92-N95 PolarHBondContact O-N 2.76Å; I92-N95 VanDerWaalsContact O-N 3.11Å; N95-W97 PolarHBondContact O-N 3.08Å; N95-K98 PolarHBondContact O-N 3.22Å
96V95.2Very high91.2Very high0 Ų045.1 Ų45.10%022%0.222CC..G310 helixtrans-58.6-25.7-175.174.40000113.2W51 F53 M58 M76 I92 K98 Y99 C100 V127W51-V96 HydrophobicContact CE3-CG2 4.37Å; W51-V96 HydrophobicContact CZ3-CG2 3.88Å; F53-V96 HydrophobicContact CE1-CG2 4.38Å; F53-V96 HydrophobicContact CZ-CG2 4.05Å; M58-V96 HydrophobicContact SD-CG1 3.91Å; M76-V96 HydrophobicContact CE-CB 3.98Å; M76-V96 HydrophobicContact CE-CG2 3.6Å; M76-V96 HydrophobicContact SD-CB 4.38Å; I92-V96 VanDerWaalsContact O-CB 3.27Å; I92-V96 WeakPolarHBondContact O-CB 3.07Å; I92-V96 PolarHBondContact O-N 2.66Å; V96-K98 VanDerWaalsContact C-N 3.26Å; V96-K98 PolarHBondContact O-N 3.35Å; V96-Y99 CarbonylContact O-C 3.57Å; V96-Y99 WeakPolarHBondContact O-CA 3.37Å; V96-Y99 PolarHBondContact O-N 3.21Å; V96-C100 WeakPolarHBondContact CG2-SG 3.46Å; V96-C100 PolarHBondContact O-N 3.34Å; V96-C100 PolarHBondContact O-SG 2.91Å; V96-C100 VanDerWaalsContact O-SG 3.34Å; V96-V127 HydrophobicContact CG2-CG2 3.61Å
97W94Very high90.1Very high1 Ų142.4 Ų42.40%0.00421%0.213CC..G310 helixtrans-64.8-25.5-171.7-55.7103.3000114V55 M58 C93 N95 Y99 W125 D396 R397 K400V55-W97 HydrophobicContact CG2-CH2 4.12Å; M58-W97 HydrophobicContact CE-CZ2 4.37Å; C93-W97 PolarHBondContact O-NE1 3.24Å; N95-W97 PolarHBondContact O-N 3.08Å; W97-Y99 VanDerWaalsContact C-N 3.27Å; W97-Y99 PolarHBondContact O-N 3.16Å; W97-W125 HydrophobicContact CE3-CZ3 4.47Å; W97-W125 HydrophobicContact CZ3-CD2 4.09Å; W97-W125 HydrophobicContact CZ3-CE3 4.11Å; W97-W125 HydrophobicContact CZ3-CH2 4.14Å; W97-W125 HydrophobicContact CZ3-CZ2 4.12Å; W97-W125 HydrophobicContact CZ3-CZ3 4.14Å; W97-D396 HydrophobicContact CB-CB 3.88Å; W97-R397 HydrophobicContact CD2-CB 3.76Å; W97-R397 HydrophobicContact CD2-CG 3.93Å; W97-R397 VanDerWaalsContact CE2-CG 3.5Å; W97-R397 HydrophobicContact CE3-CB 4.4Å; W97-R397 HydrophobicContact CE3-CG 4.26Å; W97-R397 HydrophobicContact CG-CB 3.96Å; W97-R397 HydrophobicContact CH2-CG 3.82Å; W97-R397 HydrophobicContact CZ2-CB 4.12Å; W97-R397 HydrophobicContact CZ2-CG 3.46Å; W97-R397 VanDerWaalsContact CZ2-CG 3.46Å; W97-R397 HydrophobicContact CZ3-CG 4.2Å; W97-K400 HydrophobicContact CB-CG 4.13Å; W97-K400 HydrophobicContact CE3-CB 4.07Å; W97-K400 HydrophobicContact CE3-CG 4.43Å
98K91.2Very high89Confident53 Ų5347.6 Ų47.623%0.2324%0.235CC..G310 helixtrans-67.1-25.4168.8-173.2177178.9178.90112.6D26 N95 V96 P192 W193D26-K98 IonicContact OD1-NZ 2.71Å; N95-K98 PolarHBondContact O-N 3.22Å; V96-K98 VanDerWaalsContact C-N 3.26Å; V96-K98 PolarHBondContact O-N 3.35Å; K98-P192 WeakPolarHBondContact CG-O 3.49Å; K98-W193 VanDerWaalsContact CG-CD1 3.42Å; K98-W193 HydrophobicContact CG-CG 4.27Å; K98-W193 PolarHBondContact O-NE1 3.28Å
99Y93.6Very high87.7Confident38 Ų3855.6 Ų55.615%0.14927%0.272CS..THydrogen-bonded Turntrans-106.8-17-174.4-55.9-85.7000112.9M76 V96 W97M76-Y99 HydrophobicContact CB-CE2 4Å; M76-Y99 HydrophobicContact CE-CD2 4.25Å; M76-Y99 HydrophobicContact CG-CD2 3.71Å; M76-Y99 HydrophobicContact CG-CE2 3.56Å; M76-Y99 HydrophobicContact CG-CG 4.4Å; M76-Y99 HydrophobicContact SD-CD2 4.21Å; M76-Y99 HydrophobicContact SD-CE2 4.45Å; V96-Y99 CarbonylContact O-C 3.57Å; V96-Y99 WeakPolarHBondContact O-CA 3.37Å; V96-Y99 PolarHBondContact O-N 3.21Å; W97-Y99 VanDerWaalsContact C-N 3.27Å; W97-Y99 PolarHBondContact O-N 3.16Å
100C90.4Very high86.3Confident1 Ų157.7 Ų57.71%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-74.7132.5-176.2-84.30000113F53 V96 W125 Y126F53-C100 VanDerWaalsContact CZ-SG 3.56Å; V96-C100 WeakPolarHBondContact CG2-SG 3.46Å; V96-C100 PolarHBondContact O-N 3.34Å; V96-C100 PolarHBondContact O-SG 2.91Å; V96-C100 VanDerWaalsContact O-SG 3.34Å; C100-W125 HydrophobicContact CB-CE3 4.02Å; C100-Y126 WeakPolarHBondContact CA-O 3.47Å
101R92.7Very high85.1Confident48 Ų4861.9 Ų61.918%0.18130%0.3CS..EExtended strand (participates in β ladder)trans-115.8172.7160.5-62.4-177.7-176-135.20.2108.3W125 Y126 T174R101-W125 CarbonylContact O-C 3.47Å; R101-W125 WeakPolarHBondContact O-CA 3.34Å; R101-Y126 HydrophobicContact CB-CD1 4.25Å; R101-Y126 HydrophobicContact CB-CD2 4.32Å; R101-Y126 HydrophobicContact CB-CE1 3.59Å; R101-Y126 HydrophobicContact CB-CE2 3.68Å; R101-Y126 WeakPolarHBondContact CB-OH 3.25Å; R101-Y126 HydrophobicContact CG-CE2 4.4Å; R101-Y126 PolarHBondContact N-O 3.36Å; R101-Y126 WeakPolarHBondContact O-CD1 3.4Å; R101-Y126 PolarHBondContact O-N 2.79Å; R101-T174 PolarHBondContact NH2-OG1 2.87Å
102Y91.9Very high83.8Confident62 Ų6263 Ų6324%0.24331%0.313CS..EExtended strand (participates in β ladder)trans-139.1161.2179.973.4-88.7000112.5T123 M124 W125 D403Y102-T123 HydrophobicContact CD2-CG2 4.22Å; Y102-T123 HydrophobicContact CG-CG2 4.38Å; Y102-M124 CarbonylContact C-O 3.55Å; Y102-M124 WeakPolarHBondContact CA-O 3.25Å; Y102-M124 WeakPolarHBondContact CB-O 3.45Å; Y102-W125 HydrophobicContact CD1-CH2 4.44Å; Y102-W125 HydrophobicContact CD1-CZ3 4.11Å; Y102-W125 HydrophobicContact CG-CZ3 4.39Å; Y102-D403 HydrophobicContact CE1-CB 3.65Å; Y102-D403 PolarHBondContact OH-O 3.39Å
103Y89Confident82.4Confident33 Ų3367 Ų6713%0.12933%0.334CS..EExtended strand (participates in β ladder)trans-143.5163.8162.957.4-99.5000109.1T52 L105 M124 Y126 P147 C156T52-Y103 WeakPolarHBondContact CG2-OH 3.28Å; Y103-L105 HydrophobicContact CD2-CD2 3.85Å; Y103-L105 HydrophobicContact CD2-CG 3.9Å; Y103-L105 HydrophobicContact CE2-CD1 3.88Å; Y103-L105 HydrophobicContact CE2-CD2 3.72Å; Y103-L105 HydrophobicContact CE2-CG 3.62Å; Y103-M124 HydrophobicContact CD2-CB 3.98Å; Y103-M124 HydrophobicContact CD2-CG 4.48Å; Y103-M124 HydrophobicContact CE1-CB 4.33Å; Y103-M124 HydrophobicContact CE2-CB 3.45Å; Y103-M124 VanDerWaalsContact CE2-CB 3.45Å; Y103-M124 HydrophobicContact CE2-CG 3.79Å; Y103-M124 PolarHBondContact N-O 3.11Å; Y103-M124 PolarHBondContact O-N 2.63Å; Y103-Y126 AromaticContact CD1-CD1 3.49Å; Y103-Y126 HydrophobicContact CD1-CD1 3.49Å; Y103-Y126 VanDerWaalsContact CD1-CD1 3.49Å; Y103-Y126 AromaticContact CD1-CE1 3.58Å; Y103-Y126 HydrophobicContact CD1-CE1 3.58Å; Y103-Y126 AromaticContact CE1-CD1 3.62Å; Y103-Y126 HydrophobicContact CE1-CD1 3.62Å; Y103-Y126 HydrophobicContact CE1-CE1 4.16Å; Y103-Y126 HydrophobicContact CE1-CG 4.31Å; Y103-P147 HydrophobicContact CD1-CB 4.46Å; Y103-C156 HydrophobicContact CE1-CB 4.21Å; Y103-C156 PolarHBondContact OH-SG 2.84Å
104K86.2Confident81.1Confident62 Ų6267.2 Ų67.227%0.2733%0.334SS..EExtended strand (participates in β ladder)trans-111.1130.1-179.4-73.4-173.9-177.4-177.30110.7Q121 Q122 G404 N405K104-Q121 HydrophobicContact CB-CB 3.86Å; K104-Q121 HydrophobicContact CD-CB 4.15Å; K104-Q121 HydrophobicContact CG-CB 4.35Å; K104-Q122 CarbonylContact C-O 3.59Å; K104-Q122 WeakPolarHBondContact CA-O 3.34Å; K104-G404 VanDerWaalsContact CE-O 3.26Å; K104-G404 WeakPolarHBondContact CE-O 3.19Å; K104-G404 PolarHBondContact NZ-O 3.14Å; K104-N405 PolarHBondContact NZ-OD1 3.25Å
105L81.5Confident79.8Confident62 Ų6265.7 Ų65.733%0.32534%0.34SS..EExtended strand (participates in β ladder)trans-106.4137.5175.7-64.7-178.4000110.8Y103 Q121 Q122 M124Y103-L105 HydrophobicContact CD2-CD2 3.85Å; Y103-L105 HydrophobicContact CD2-CG 3.9Å; Y103-L105 HydrophobicContact CE2-CD1 3.88Å; Y103-L105 HydrophobicContact CE2-CD2 3.72Å; Y103-L105 HydrophobicContact CE2-CG 3.62Å; L105-Q121 CarbonylContact O-C 3.49Å; L105-Q121 WeakPolarHBondContact O-CA 3.36Å; L105-Q122 PolarHBondContact N-O 3.28Å; L105-Q122 PolarHBondContact O-N 2.8Å; L105-M124 HydrophobicContact CD1-CG 3.74Å; L105-M124 HydrophobicContact CG-CG 4.08Å
106S78.3Confident78.4Confident62 Ų6269.4 Ų69.443%0.43436%0.355SS..  trans-97.1115.9171.3-60.70000108.7L114 Q121S106-L114 VanDerWaalsContact CB-CD1 3.44Å; S106-Q121 PolarHBondContact OG-NE2 3.32Å
107T69Low77.1Confident48 Ų4871.4 Ų71.429%0.29437%0.367SS..  trans-85.3154.7174.160.60000110.3E109 N110T107-E109 PolarHBondContact O-N 3.39Å; T107-N110 PolarHBondContact O-N 2.67Å
108Q69.4Low75.8Confident186 Ų18674.5 Ų74.587%0.86939%0.387SS*.G310 helixtrans-60.3-29.7-179.8-71.5-173-5.300112.8N110 M111Q108-N110 VanDerWaalsContact C-N 3.28Å; Q108-N110 PolarHBondContact O-N 3.44Å; Q108-M111 PolarHBondContact O-N 2.86Å
109E66.4Low74.8Confident174 Ų17473.8 Ų73.881%0.81339%0.385SS*.G310 helixtrans-60.9-34.1-178.2-65.4-177.9168.500113.1T107T107-E109 PolarHBondContact O-N 3.39Å
110N65.5Low73.8Confident44 Ų4474 Ų7424%0.23539%0.388CS..G310 helixtrans-102.92.4-174.8-67.1-30.7000113.7T107 Q108 S112 L113 L114 L120T107-N110 PolarHBondContact O-N 2.67Å; Q108-N110 VanDerWaalsContact C-N 3.28Å; Q108-N110 PolarHBondContact O-N 3.44Å; N110-S112 VanDerWaalsContact C-N 3.28Å; N110-S112 PolarHBondContact O-N 2.97Å; N110-S112 VanDerWaalsContact O-N 3.11Å; N110-L113 PolarHBondContact O-N 3.42Å; N110-L114 HydrophobicContact CB-CD1 4.37Å; N110-L114 HydrophobicContact CB-CG 4.09Å; N110-L114 VanDerWaalsContact O-CG 3.28Å; N110-L114 WeakPolarHBondContact O-CG 3.36Å; N110-L114 PolarHBondContact O-N 2.86Å; N110-L120 HydrophobicContact CB-CB 4.29Å; N110-L120 PolarHBondContact ND2-O 3.41Å
111M66.2Low73.2Confident127 Ų12776.8 Ų76.863%0.62640%0.401SS*.THydrogen-bonded Turntrans-51-40.7-172.2-90.3-76.9-76.700114.6Q108Q108-M111 PolarHBondContact O-N 2.86Å
112S66.4Low72.5Confident93 Ų9378.7 Ų78.765%0.6541%0.412SS*.THydrogen-bonded Turntrans-70-32.6179.355.10000113.2N110N110-S112 VanDerWaalsContact C-N 3.28Å; N110-S112 PolarHBondContact O-N 2.97Å; N110-S112 VanDerWaalsContact O-N 3.11Å
113L65.1Low72.2Confident85 Ų8577.2 Ų77.245%0.44541%0.41SS..THydrogen-bonded Turntrans-88.9-23.5-175.9-61.6176.1000112.7N110 S115 Q116 V117 L120N110-L113 PolarHBondContact O-N 3.42Å; L113-S115 PolarHBondContact O-N 3.5Å; L113-Q116 PolarHBondContact O-N 2.99Å; L113-V117 PolarHBondContact O-N 3.48Å; L113-L120 HydrophobicContact CB-CD1 3.56Å; L113-L120 HydrophobicContact CD1-CD1 4.19Å
114L66.5Low72.2Confident22 Ų2276.8 Ų76.812%0.11541%0.409CS..THydrogen-bonded Turntrans-60.5-28.3-176.3-80.3172.3000114.4S106 N110 Q116 V117 L120 Q121S106-L114 VanDerWaalsContact CB-CD1 3.44Å; N110-L114 HydrophobicContact CB-CD1 4.37Å; N110-L114 HydrophobicContact CB-CG 4.09Å; N110-L114 VanDerWaalsContact O-CG 3.28Å; N110-L114 WeakPolarHBondContact O-CG 3.36Å; N110-L114 PolarHBondContact O-N 2.86Å; L114-Q116 PolarHBondContact O-N 3.47Å; L114-V117 CarbonylContact O-C 3.6Å; L114-L120 HydrophobicContact CD2-CB 3.87Å; L114-Q121 HydrophobicContact CD2-CB 4.47Å; L114-Q121 HydrophobicContact CD2-CG 3.55Å
115S64.6Low72.5Confident101 Ų10174.5 Ų74.571%0.70640%0.399SS*.THydrogen-bonded Turntrans-66.4-23.8174.664.60000113.2L113L113-S115 PolarHBondContact O-N 3.5Å
116Q63.3Low73.2Confident155 Ų15571.7 Ų71.772%0.72438%0.384SS*.THydrogen-bonded Turntrans-103.9-32.7-179-61.117812.200111.8L113 L114L113-Q116 PolarHBondContact O-N 2.99Å; L114-Q116 PolarHBondContact O-N 3.47Å
117V68.5Low74.1Confident43 Ų4368.7 Ų68.726%0.26136%0.363SS..  trans-133.778.8-178.7-167.50000109.5L113 L114 E119 L120 L383L113-V117 PolarHBondContact O-N 3.48Å; L114-V117 CarbonylContact O-C 3.6Å; V117-E119 HydrophobicContact CG1-CB 4.37Å; V117-E119 PolarHBondContact O-N 2.87Å; V117-E119 VanDerWaalsContact O-N 3.1Å; V117-L120 HydrophobicContact CB-CD1 3.96Å; V117-L120 HydrophobicContact CB-CG 4.01Å; V117-L120 HydrophobicContact CG1-CD1 4.34Å; V117-L120 HydrophobicContact CG1-CG 3.88Å; V117-L120 WeakPolarHBondContact O-CB 3.06Å; V117-L120 PolarHBondContact O-N 3.44Å; V117-L120 VanDerWaalsContact O-N 3.1Å; V117-L383 HydrophobicContact CG1-CD2 3.94Å
118P65.8Low75.3Confident65 Ų6566.5 Ų66.542%0.42235%0.35SS..G310 helixtrans-56.4-22.8176.8-2534.6000113.8L120 Q121P118-L120 PolarHBondContact O-N 2.79Å; P118-Q121 WeakPolarHBondContact O-CB 3.5Å; P118-Q121 WeakPolarHBondContact O-CG 3.13Å; P118-Q121 PolarHBondContact O-N 2.89Å; P118-Q121 VanDerWaalsContact O-N 3.11Å
119E71Confident76.5Confident38 Ų3859 Ų5918%0.17832%0.315CS..G310 helixtrans-69-11.4179.2-59.782.8170.200112.9V117 Q121 N382 L383V117-E119 HydrophobicContact CG1-CB 4.37Å; V117-E119 PolarHBondContact O-N 2.87Å; V117-E119 VanDerWaalsContact O-N 3.1Å; E119-Q121 PolarHBondContact O-N 3.29Å; E119-N382 PolarHBondContact OE1-ND2 2.9Å; E119-N382 PolarHBondContact OE2-ND2 2.82Å; E119-L383 HydrophobicContact CB-CD1 4Å; E119-L383 HydrophobicContact CB-CD2 3.87Å; E119-L383 HydrophobicContact CB-CG 3.95Å
120L71.4Confident77.8Confident44 Ų4453.7 Ų53.723%0.2329%0.291CS..G310 helixtrans-70.6-7.5169.5-68.3173.8000113.3N110 L113 L114 V117 P118 L383N110-L120 HydrophobicContact CB-CB 4.29Å; N110-L120 PolarHBondContact ND2-O 3.41Å; L113-L120 HydrophobicContact CB-CD1 3.56Å; L113-L120 HydrophobicContact CD1-CD1 4.19Å; L114-L120 HydrophobicContact CD2-CB 3.87Å; V117-L120 HydrophobicContact CB-CD1 3.96Å; V117-L120 HydrophobicContact CB-CG 4.01Å; V117-L120 HydrophobicContact CG1-CD1 4.34Å; V117-L120 HydrophobicContact CG1-CG 3.88Å; V117-L120 WeakPolarHBondContact O-CB 3.06Å; V117-L120 PolarHBondContact O-N 3.44Å; V117-L120 VanDerWaalsContact O-N 3.1Å; P118-L120 PolarHBondContact O-N 2.79Å; L120-L383 HydrophobicContact CD2-CD2 3.9Å; L120-L383 HydrophobicContact CG-CD2 4.33Å
121Q77.9Confident79.1Confident58 Ų5854.8 Ų54.827%0.27130%0.299SS..SBendtrans-62.9138.5170.7-67.8178.7-33.100110.7K104 L105 S106 L114 P118 E119 T123K104-Q121 HydrophobicContact CB-CB 3.86Å; K104-Q121 HydrophobicContact CD-CB 4.15Å; K104-Q121 HydrophobicContact CG-CB 4.35Å; L105-Q121 CarbonylContact O-C 3.49Å; L105-Q121 WeakPolarHBondContact O-CA 3.36Å; S106-Q121 PolarHBondContact OG-NE2 3.32Å; L114-Q121 HydrophobicContact CD2-CB 4.47Å; L114-Q121 HydrophobicContact CD2-CG 3.55Å; P118-Q121 WeakPolarHBondContact O-CB 3.5Å; P118-Q121 WeakPolarHBondContact O-CG 3.13Å; P118-Q121 PolarHBondContact O-N 2.89Å; P118-Q121 VanDerWaalsContact O-N 3.11Å; E119-Q121 PolarHBondContact O-N 3.29Å; Q121-T123 PolarHBondContact O-N 3.1Å
122Q79.6Confident80.4Confident88 Ų8848.8 Ų48.841%0.41127%0.27SS..EExtended strand (participates in β ladder)trans-76.9119.4175.4-175.5175.73.600109.4K104 L105 M124K104-Q122 CarbonylContact C-O 3.59Å; K104-Q122 WeakPolarHBondContact CA-O 3.34Å; L105-Q122 PolarHBondContact N-O 3.28Å; L105-Q122 PolarHBondContact O-N 2.8Å; Q122-M124 HydrophobicContact CG-SD 4.12Å; Q122-M124 PolarHBondContact O-N 2.89Å
123T85.3Confident81.7Confident32 Ų3245 Ų4520%0.19624%0.243CC..EExtended strand (participates in β ladder)trans-74.4122.8170.1-56.70000109.4Y102 Q121 W125Y102-T123 HydrophobicContact CD2-CG2 4.22Å; Y102-T123 HydrophobicContact CG-CG2 4.38Å; Q121-T123 PolarHBondContact O-N 3.1Å; T123-W125 HydrophobicContact CG2-CZ2 4.11Å
124M88.5Confident83Confident24 Ų2442.7 Ų42.712%0.11823%0.228CC..EExtended strand (participates in β ladder)trans-108.5134.8169.9-64.1-57.9-61.900108.9T52 D54 Y102 Y103 L105 Q122T52-M124 HydrophobicContact CG2-CE 3.87Å; D54-M124 HydrophobicContact CB-SD 4.43Å; Y102-M124 CarbonylContact C-O 3.55Å; Y102-M124 WeakPolarHBondContact CA-O 3.25Å; Y102-M124 WeakPolarHBondContact CB-O 3.45Å; Y103-M124 HydrophobicContact CD2-CB 3.98Å; Y103-M124 HydrophobicContact CD2-CG 4.48Å; Y103-M124 HydrophobicContact CE1-CB 4.33Å; Y103-M124 HydrophobicContact CE2-CB 3.45Å; Y103-M124 VanDerWaalsContact CE2-CB 3.45Å; Y103-M124 HydrophobicContact CE2-CG 3.79Å; Y103-M124 PolarHBondContact N-O 3.11Å; Y103-M124 PolarHBondContact O-N 2.63Å; L105-M124 HydrophobicContact CD1-CG 3.74Å; L105-M124 HydrophobicContact CG-CG 4.08Å; Q122-M124 HydrophobicContact CG-SD 4.12Å; Q122-M124 PolarHBondContact O-N 2.89Å
125W93.3Very high84.3Confident13 Ų1341.8 Ų41.85%0.04922%0.224CC..EExtended strand (participates in β ladder)trans-100.3149.1175.8-60.190000109.5T52 F53 V55 W97 C100 R101 Y102 T123 K400T52-W125 CarbonylContact C-O 3.55Å; T52-W125 VanDerWaalsContact CA-O 3.29Å; T52-W125 WeakPolarHBondContact CA-O 3.25Å; F53-W125 HydrophobicContact CD2-CB 4.16Å; F53-W125 HydrophobicContact CE1-CB 4.2Å; F53-W125 HydrophobicContact CE2-CB 3.78Å; F53-W125 HydrophobicContact CE2-CG 4.37Å; F53-W125 HydrophobicContact CZ-CB 3.82Å; F53-W125 PolarHBondContact N-O 3.17Å; F53-W125 PolarHBondContact O-N 2.79Å; V55-W125 VanDerWaalsContact CG2-NE1 3.32Å; W97-W125 HydrophobicContact CE3-CZ3 4.47Å; W97-W125 HydrophobicContact CZ3-CD2 4.09Å; W97-W125 HydrophobicContact CZ3-CE3 4.11Å; W97-W125 HydrophobicContact CZ3-CH2 4.14Å; W97-W125 HydrophobicContact CZ3-CZ2 4.12Å; W97-W125 HydrophobicContact CZ3-CZ3 4.14Å; C100-W125 HydrophobicContact CB-CE3 4.02Å; R101-W125 CarbonylContact O-C 3.47Å; R101-W125 WeakPolarHBondContact O-CA 3.34Å; Y102-W125 HydrophobicContact CD1-CH2 4.44Å; Y102-W125 HydrophobicContact CD1-CZ3 4.11Å; Y102-W125 HydrophobicContact CG-CZ3 4.39Å; T123-W125 HydrophobicContact CG2-CZ2 4.11Å; W125-K400 HydrophobicContact CH2-CB 4.11Å; W125-K400 WeakPolarHBondContact CH2-O 3.26Å; W125-K400 HydrophobicContact CZ3-CB 4.13Å
126Y95Very high85.6Confident3 Ų339 Ų391%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-147.4149175.568-85.6000111.9H49 W51 C100 R101 Y103 L128 P147H49-Y126 HydrophobicContact CB-CD2 4.36Å; H49-Y126 AromaticContact CD2-CD2 3.56Å; H49-Y126 AromaticContact CD2-CE2 3.71Å; H49-Y126 AromaticContact CE1-CD2 3.45Å; H49-Y126 VanDerWaalsContact CE1-CD2 3.45Å; H49-Y126 WeakPolarHBondContact CE1-CD2 3.45Å; H49-Y126 AromaticContact CE1-CE2 3.44Å; H49-Y126 VanDerWaalsContact CE1-CE2 3.44Å; H49-Y126 WeakPolarHBondContact CE1-CE2 3.08Å; H49-Y126 AromaticContact CE1-CG 3.73Å; H49-Y126 AromaticContact CE1-CZ 3.72Å; H49-Y126 AromaticContact CG-CD2 3.59Å; H49-Y126 AromaticContact ND1-CD2 3.54Å; H49-Y126 AromaticContact ND1-CG 3.61Å; H49-Y126 AromaticContact NE2-CD2 3.47Å; H49-Y126 WeakPolarHBondContact NE2-CD2 3.29Å; H49-Y126 AromaticContact NE2-CE2 3.22Å; H49-Y126 WeakPolarHBondContact NE2-CE2 3.39Å; H49-Y126 AromaticContact NE2-CZ 3.8Å; W51-Y126 CarbonylContact O-C 3.13Å; W51-Y126 WeakPolarHBondContact O-CA 3.48Å; W51-Y126 VanDerWaalsContact O-CB 3.29Å; W51-Y126 WeakPolarHBondContact O-CB 3.44Å; C100-Y126 WeakPolarHBondContact CA-O 3.47Å; R101-Y126 HydrophobicContact CB-CD1 4.25Å; R101-Y126 HydrophobicContact CB-CD2 4.32Å; R101-Y126 HydrophobicContact CB-CE1 3.59Å; R101-Y126 HydrophobicContact CB-CE2 3.68Å; R101-Y126 WeakPolarHBondContact CB-OH 3.25Å; R101-Y126 HydrophobicContact CG-CE2 4.4Å; R101-Y126 PolarHBondContact N-O 3.36Å; R101-Y126 WeakPolarHBondContact O-CD1 3.4Å; R101-Y126 PolarHBondContact O-N 2.79Å; Y103-Y126 AromaticContact CD1-CD1 3.49Å; Y103-Y126 HydrophobicContact CD1-CD1 3.49Å; Y103-Y126 VanDerWaalsContact CD1-CD1 3.49Å; Y103-Y126 AromaticContact CD1-CE1 3.58Å; Y103-Y126 HydrophobicContact CD1-CE1 3.58Å; Y103-Y126 AromaticContact CE1-CD1 3.62Å; Y103-Y126 HydrophobicContact CE1-CD1 3.62Å; Y103-Y126 HydrophobicContact CE1-CE1 4.16Å; Y103-Y126 HydrophobicContact CE1-CG 4.31Å; Y126-L128 HydrophobicContact CD2-CD2 4.2Å; Y126-L128 HydrophobicContact CE2-CD2 3.72Å; Y126-L128 HydrophobicContact CE2-CG 4.24Å; Y126-P147 HydrophobicContact CE1-CB 4.3Å
127V96.4Very high87.1Confident0 Ų032.7 Ų32.70%017%0.17CC..EExtended strand (participates in β ladder)trans-108.7132.3171.2178.20000107.4H49 A50 W51 F53 M72 L75 V96H49-V127 CarbonylContact C-O 3.57Å; A50-V127 PolarHBondContact N-O 3.21Å; W51-V127 HydrophobicContact CB-CB 4.32Å; W51-V127 HydrophobicContact CE3-CG2 4.14Å; W51-V127 PolarHBondContact N-O 2.8Å; W51-V127 PolarHBondContact O-N 2.95Å; F53-V127 HydrophobicContact CE1-CG2 4.29Å; M72-V127 HydrophobicContact SD-CB 4.24Å; M72-V127 HydrophobicContact SD-CG1 3.99Å; L75-V127 HydrophobicContact CD2-CG1 3.61Å; V96-V127 HydrophobicContact CG2-CG2 3.61Å
128L96Very high88.3Confident2 Ų232.4 Ų32.41%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-70.7163.4177.1-63.6168.2000110.6V47 D48 Y126 S133 M145V47-L128 HydrophobicContact CB-CD2 4.47Å; V47-L128 HydrophobicContact CG1-CB 4.23Å; V47-L128 HydrophobicContact CG1-CD2 3.85Å; V47-L128 HydrophobicContact CG1-CG 4.43Å; D48-L128 CarbonylContact O-C 3.59Å; D48-L128 WeakPolarHBondContact O-CA 3.4Å; Y126-L128 HydrophobicContact CD2-CD2 4.2Å; Y126-L128 HydrophobicContact CE2-CD2 3.72Å; Y126-L128 HydrophobicContact CE2-CG 4.24Å; L128-S133 PolarHBondContact N-OG 3.2Å; L128-S133 PolarHBondContact O-OG 3.37Å; L128-M145 HydrophobicContact CD1-CE 4.07Å; L128-M145 HydrophobicContact CD1-SD 3.43Å; L128-M145 WeakPolarHBondContact CD1-SD 3.4Å; L128-M145 HydrophobicContact CD2-SD 4.04Å; L128-M145 HydrophobicContact CG-SD 4.4Å
129D94.9Very high89.7Confident27 Ų2734 Ų3414%0.14418%0.175CC..  trans-56.3174.9166.169.233.8000113.5D48 V131 G132 S133D48-D129 HydrophobicContact CB-CB 4.24Å; D48-D129 PolarHBondContact N-OD2 2.99Å; D48-D129 PolarHBondContact O-N 2.6Å; D129-V131 PolarHBondContact O-N 3.11Å; D129-V131 VanDerWaalsContact O-N 3.15Å; D129-V131 PolarHBondContact OD1-N 2.82Å; D129-G132 PolarHBondContact O-N 2.89Å; D129-G132 PolarHBondContact OD1-N 3.22Å; D129-S133 VanDerWaalsContact O-CB 3.26Å; D129-S133 WeakPolarHBondContact O-CB 3.32Å; D129-S133 PolarHBondContact O-N 2.97Å; D129-S133 PolarHBondContact O-OG 3.02Å
130E93Very high90.8Very high64 Ų6439.4 Ų39.430%0.29920%0.2SC..THydrogen-bonded Turntrans-57.9-29.8-176.1-66.177.2-176.900112.8R71 L75 R134R71-E130 IonicContact CZ-OE1 3.71Å; R71-E130 IonicContact CZ-OE2 3.03Å; R71-E130 IonicContact NE-OE1 3.02Å; R71-E130 PolarHBondContact NE-OE1 2.99Å; R71-E130 IonicContact NE-OE2 3.44Å; R71-E130 IonicContact NH2-OE1 2.96Å; R71-E130 PolarHBondContact NH2-OE1 3.22Å; R71-E130 IonicContact NH2-OE2 2.72Å; R71-E130 PolarHBondContact NH2-OE2 2.76Å; L75-E130 HydrophobicContact CD1-CG 4.42Å; E130-R134 WeakPolarHBondContact O-CB 3.34Å; E130-R134 WeakPolarHBondContact O-CD 3.2Å; E130-R134 WeakPolarHBondContact O-CG 3.49Å
131V91.9Very high92Very high67 Ų6738.5 Ų38.541%0.40620%0.197SC..THydrogen-bonded Turntrans-79.6-50.2178.3178.30000109.4M1 I29 D129 S133 R134 I135M1-V131 HydrophobicContact CE-CG2 4.43Å; M1-V131 HydrophobicContact SD-CG2 4.36Å; I29-V131 HydrophobicContact CD1-CG1 4.37Å; D129-V131 PolarHBondContact O-N 3.11Å; D129-V131 VanDerWaalsContact O-N 3.15Å; D129-V131 PolarHBondContact OD1-N 2.82Å; V131-S133 PolarHBondContact O-N 2.97Å; V131-R134 PolarHBondContact O-N 3.07Å; V131-I135 PolarHBondContact O-N 3.04Å
132G93.9Very high93Very high1 Ų136.3 Ų36.31%0.0119%0.187CC..G310 helixtrans-61.5-42.7-178.300000113.6D129 R134 I135D129-G132 PolarHBondContact O-N 2.89Å; D129-G132 PolarHBondContact OD1-N 3.22Å; G132-R134 PolarHBondContact O-N 3.46Å; G132-I135 PolarHBondContact O-N 3.07Å
133S93.6Very high93.8Very high14 Ų1432.1 Ų32.110%0.09817%0.168CC..G310 helixtrans-69.8-12.9179.8-71.60000113.6L128 D129 V131L128-S133 PolarHBondContact N-OG 3.2Å; L128-S133 PolarHBondContact O-OG 3.37Å; D129-S133 VanDerWaalsContact O-CB 3.26Å; D129-S133 WeakPolarHBondContact O-CB 3.32Å; D129-S133 PolarHBondContact O-N 2.97Å; D129-S133 PolarHBondContact O-OG 3.02Å; V131-S133 PolarHBondContact O-N 2.97Å
134R92.1Very high94.3Very high35 Ų3534.7 Ų34.713%0.13217%0.174CC..G310 helixtrans-102.2-3.5178-70.5177.5-176.4167.6-0.9113.3M1 W27 I29 E130 V131 G132 Q136M1-R134 PolarHBondContact SD-NH1 3.25Å; W27-R134 HydrophobicContact CB-CB 3.78Å; W27-R134 HydrophobicContact CB-CG 3.61Å; W27-R134 HydrophobicContact CG-CG 3.83Å; I29-R134 HydrophobicContact CD1-CB 3.78Å; I29-R134 HydrophobicContact CG1-CB 4.08Å; E130-R134 WeakPolarHBondContact O-CB 3.34Å; E130-R134 WeakPolarHBondContact O-CD 3.2Å; E130-R134 WeakPolarHBondContact O-CG 3.49Å; V131-R134 PolarHBondContact O-N 3.07Å; G132-R134 PolarHBondContact O-N 3.46Å; R134-Q136 PolarHBondContact O-N 3.31Å
135I93.5Very high94.7Very high4 Ų434.1 Ų34.12%0.02117%0.171CC..PPolyproline II helixtrans-72.5117.5172-69.5170.9000107.8I29 V131 G132 M145 F160 I172 T174 Y176I29-I135 HydrophobicContact CB-CG1 4.19Å; I29-I135 HydrophobicContact CG1-CG1 3.79Å; I29-I135 HydrophobicContact CG2-CG1 4.47Å; V131-I135 PolarHBondContact O-N 3.04Å; G132-I135 PolarHBondContact O-N 3.07Å; I135-M145 HydrophobicContact CD1-CE 3.53Å; I135-F160 HydrophobicContact CD1-CD2 3.97Å; I135-F160 HydrophobicContact CD1-CE2 3.8Å; I135-I172 HydrophobicContact CD1-CG2 4.15Å; I135-I172 HydrophobicContact CG1-CG2 4.12Å; I135-I172 HydrophobicContact CG2-CG2 4.1Å; I135-T174 HydrophobicContact CG2-CG2 3.76Å; I135-Y176 WeakPolarHBondContact O-CE1 3.27Å; I135-Y176 PolarHBondContact O-OH 3.44Å
136Q92.9Very high94.7Very high42 Ų4235.8 Ų35.820%0.19618%0.183CC..EExtended strand (participates in β ladder)trans-80.4164.4-171.1-65.3-60.1-26.400113.8W27 R134 T173 T174 Y176W27-Q136 VanDerWaalsContact O-CG 3.23Å; W27-Q136 WeakPolarHBondContact O-CG 3.27Å; W27-Q136 PolarHBondContact O-NE2 3.29Å; R134-Q136 PolarHBondContact O-N 3.31Å; Q136-T173 HydrophobicContact CB-CG2 4.48Å; Q136-T173 CarbonylContact O-C 3.55Å; Q136-T173 VanDerWaalsContact O-CA 3.27Å; Q136-T173 WeakPolarHBondContact O-CA 3.4Å; Q136-T173 WeakPolarHBondContact O-CB 3.4Å; Q136-T174 PolarHBondContact O-N 3.42Å; Q136-Y176 VanDerWaalsContact CA-OH 3.28Å; Q136-Y176 WeakPolarHBondContact CA-OH 3.38Å
137H94.2Very high94.6Very high23 Ų2338.5 Ų38.511%0.10620%0.2CC..EExtended strand (participates in β ladder)trans-65.5150.9169.6-172.141.6000111.6D139 T174 D175 Y176 L190 E194H137-D139 IonicContact NE2-OD1 3.51Å; H137-T174 CarbonylContact C-O 3.47Å; H137-T174 VanDerWaalsContact CA-O 3.26Å; H137-T174 WeakPolarHBondContact CA-O 3.38Å; H137-T174 PolarHBondContact ND1-O 3.19Å; H137-D175 IonicContact CE1-OD1 2.71Å; H137-D175 PolarHBondContact CE1-OD1 3.41Å; H137-D175 VanDerWaalsContact CE1-OD1 3.27Å; H137-D175 IonicContact ND1-OD1 3.33Å; H137-Y176 HydrophobicContact CB-CD2 3.46Å; H137-Y176 VanDerWaalsContact CB-CD2 3.46Å; H137-Y176 HydrophobicContact CB-CE2 3.52Å; H137-Y176 HydrophobicContact CB-CG 4.05Å; H137-Y176 AromaticContact CG-CD2 3.91Å; H137-Y176 VanDerWaalsContact N-CZ 3.3Å; H137-Y176 PolarHBondContact N-OH 2.58Å; H137-Y176 AromaticContact ND1-CG 3.87Å; H137-Y176 PolarHBondContact ND1-N 3.29Å; H137-Y176 VanDerWaalsContact ND1-N 3.15Å; H137-L190 VanDerWaalsContact CD2-CD2 3.48Å; H137-L190 WeakPolarHBondContact CD2-CD2 3.48Å; H137-L190 WeakPolarHBondContact NE2-CD2 3.4Å; H137-E194 IonicContact CD2-OE1 3.33Å; H137-E194 PolarHBondContact CD2-OE1 3.5Å
138S95.1Very high94.4Very high36 Ų3643.2 Ų43.225%0.25222%0.221SC..  trans-158.2141.2153.7-177.90000109.4E140 P141 T173 T174S138-E140 PolarHBondContact O-N 3.26Å; S138-E140 PolarHBondContact OG-N 3.39Å; S138-E140 VanDerWaalsContact OG-N 3.1Å; S138-E140 PolarHBondContact OG-O 3.13Å; S138-P141 WeakPolarHBondContact O-CD 3.14Å; S138-T173 WeakPolarHBondContact CB-OG1 3.32Å; S138-T174 PolarHBondContact N-O 3.34Å; S138-T174 VanDerWaalsContact N-O 3.14Å
139D93.9Very high94.1Very high98 Ų9847.9 Ų47.952%0.52424%0.239SC..SBendtrans-64.4-21.7166.3-76.7-35.8000112.7H137 P141 R186H137-D139 IonicContact NE2-OD1 3.51Å; D139-P141 WeakPolarHBondContact O-CD 3.27Å; D139-R186 IonicContact OD1-CZ 2.72Å; D139-R186 IonicContact OD1-NE 3.61Å; D139-R186 PolarHBondContact OD1-NE 3.37Å; D139-R186 IonicContact OD1-NH2 3.65Å; D139-R186 PolarHBondContact OD1-NH2 3.36Å
140E95Very high93.9Very high153 Ų15351.1 Ų51.172%0.71525%0.25SS*.SBendtrans-114.464.7173.2-64.6-167.6172.700110.8S138S138-E140 PolarHBondContact O-N 3.26Å; S138-E140 PolarHBondContact OG-N 3.39Å; S138-E140 VanDerWaalsContact OG-N 3.1Å; S138-E140 PolarHBondContact OG-O 3.13Å
141P96.9Very high93.6Very high25 Ų2552.8 Ų52.816%0.16226%0.264CS..  trans-60.3150.6-17027.8-36.7000112.3S138 D139 I163 D175S138-P141 WeakPolarHBondContact O-CD 3.14Å; D139-P141 WeakPolarHBondContact O-CD 3.27Å; P141-I163 HydrophobicContact CG-CD1 4.09Å; P141-I163 WeakPolarHBondContact O-CD1 3.26Å; P141-D175 HydrophobicContact CB-CB 4.36Å; P141-D175 HydrophobicContact CG-CB 3.98Å
142T97.3Very high93.6Very high11 Ų1154.3 Ų54.37%0.06728%0.276CS..SBendtrans-95.7-18.3175.667.40000112.7I163 L166 S171 I172 T173T142-I163 WeakPolarHBondContact O-CG1 3.39Å; T142-I163 PolarHBondContact O-N 2.91Å; T142-L166 HydrophobicContact CG2-CD2 4.1Å; T142-S171 VanDerWaalsContact CG2-O 3.28Å; T142-S171 WeakPolarHBondContact CG2-O 3.41Å; T142-S171 PolarHBondContact OG1-O 3.15Å; T142-I172 VanDerWaalsContact OG1-CA 3.32Å; T142-I172 WeakPolarHBondContact OG1-CA 3.2Å; T142-T173 PolarHBondContact N-O 3.27Å; T142-T173 VanDerWaalsContact N-O 3.13Å; T142-T173 PolarHBondContact N-OG1 3.21Å; T142-T173 PolarHBondContact OG1-N 3.38Å
143A96.9Very high93.3Very high0 Ų062.3 Ų62.30%031%0.305CS..EExtended strand (participates in β ladder)trans-142.6168.4-18000000111.8F160 W161 I172 T173A143-F160 HydrophobicContact CB-CD2 4.12Å; A143-F160 HydrophobicContact CB-CE1 4.3Å; A143-F160 HydrophobicContact CB-CE2 3.2Å; A143-F160 HydrophobicContact CB-CZ 3.29Å; A143-W161 CarbonylContact C-O 3.56Å; A143-W161 VanDerWaalsContact CA-O 3.28Å; A143-W161 WeakPolarHBondContact CA-O 3.32Å; A143-W161 VanDerWaalsContact CB-O 3.28Å; A143-W161 WeakPolarHBondContact CB-O 3.18Å; A143-I172 HydrophobicContact CB-CG2 4.34Å; A143-T173 PolarHBondContact N-O 2.9Å
144R96.4Very high92.9Very high87 Ų8767 Ų6733%0.32833%0.33SS..EExtended strand (participates in β ladder)trans-122152.3169.5-73.2-173.772.7-156.2-1.1110.4F160 W161 I163 E178R144-F160 WeakPolarHBondContact O-CA 3.42Å; R144-W161 HydrophobicContact CB-CD2 4.46Å; R144-W161 HydrophobicContact CB-CH2 4.27Å; R144-W161 HydrophobicContact CB-CZ2 3.71Å; R144-W161 PolarHBondContact N-O 2.85Å; R144-W161 PolarHBondContact O-N 2.85Å; R144-W161 VanDerWaalsContact O-N 3.08Å; R144-I163 HydrophobicContact CB-CG2 4.2Å; R144-I163 HydrophobicContact CG-CD1 4.34Å; R144-I163 HydrophobicContact CG-CG2 3.73Å; R144-E178 IonicContact CZ-OE1 3.1Å; R144-E178 IonicContact CZ-OE2 3.3Å; R144-E178 VanDerWaalsContact CZ-OE2 3.29Å; R144-E178 VanDerWaalsContact NE-CD 3.34Å; R144-E178 IonicContact NE-OE1 2.79Å; R144-E178 PolarHBondContact NE-OE1 3.32Å; R144-E178 VanDerWaalsContact NE-OE1 3.08Å; R144-E178 IonicContact NE-OE2 3.3Å; R144-E178 PolarHBondContact NE-OE2 3.35Å; R144-E178 IonicContact NH1-OE1 3.88Å; R144-E178 IonicContact NH2-OE1 3.59Å; R144-E178 PolarHBondContact NH2-OE1 3.07Å; R144-E178 IonicContact NH2-OE2 2.79Å; R144-E178 PolarHBondContact NH2-OE2 3.05Å
145M95.6Very high92.7Very high12 Ų1269.1 Ų69.16%0.05934%0.343CS..EExtended strand (participates in β ladder)trans-142.2128.5177.7-171-171.1-5600110.2V47 L128 I135 V159 F160 T174V47-M145 HydrophobicContact CG2-CE 4.14Å; L128-M145 HydrophobicContact CD1-CE 4.07Å; L128-M145 HydrophobicContact CD1-SD 3.43Å; L128-M145 WeakPolarHBondContact CD1-SD 3.4Å; L128-M145 HydrophobicContact CD2-SD 4.04Å; L128-M145 HydrophobicContact CG-SD 4.4Å; I135-M145 HydrophobicContact CD1-CE 3.53Å; M145-V159 VanDerWaalsContact CA-O 3.27Å; M145-V159 WeakPolarHBondContact CA-O 3.33Å; M145-F160 HydrophobicContact CB-CD2 4.29Å; M145-F160 HydrophobicContact CE-CB 4.45Å; M145-F160 HydrophobicContact CE-CD2 3.81Å; M145-F160 HydrophobicContact CG-CB 4.31Å; M145-T174 HydrophobicContact CB-CG2 4.19Å
146V94.2Very high92.6Very high48 Ų4870 Ų7029%0.29135%0.349SS..EExtended strand (participates in β ladder)trans-133.4145.9179.8-57.50000111.1S158 V159 W161V146-S158 CarbonylContact O-C 3.46Å; V146-S158 VanDerWaalsContact O-CA 3.27Å; V146-S158 WeakPolarHBondContact O-CA 3.39Å; V146-V159 PolarHBondContact N-O 2.93Å; V146-V159 PolarHBondContact O-N 2.87Å; V146-W161 HydrophobicContact CB-CH2 4.4Å; V146-W161 HydrophobicContact CG1-CH2 3.87Å; V146-W161 HydrophobicContact CG2-CH2 3.71Å; V146-W161 HydrophobicContact CG2-CZ3 3.77Å
147P93.4Very high92.6Very high59 Ų5969.9 Ų69.938%0.38335%0.347SS..EExtended strand (participates in β ladder)trans-66.3145.4172.927.3-33000111.1Y103 Y126 Y157Y103-P147 HydrophobicContact CD1-CB 4.46Å; Y126-P147 HydrophobicContact CE1-CB 4.3Å; P147-Y157 CarbonylContact C-O 3.56Å
148F92.3Very high92.6Very high100 Ų10068.8 Ų68.844%0.43934%0.342SS..EExtended strand (participates in β ladder)trans-142.3127.3-178.9179-100.8000110.9Y150 C156 Y157 V159F148-Y150 HydrophobicContact CE1-CD2 4.01Å; F148-Y150 HydrophobicContact CE1-CG 4.46Å; F148-C156 WeakPolarHBondContact O-CA 3.47Å; F148-Y157 PolarHBondContact N-O 2.6Å; F148-Y157 PolarHBondContact O-N 3.3Å; F148-Y157 VanDerWaalsContact O-O 3.08Å; F148-V159 HydrophobicContact CB-CG2 3.6Å; F148-V159 HydrophobicContact CD1-CG2 4.34Å; F148-V159 HydrophobicContact CG-CG2 3.92Å
149Y89.8Confident92.7Very high100 Ų10068.3 Ų68.339%0.39234%0.338SS..EExtended strand (participates in β ladder)trans-97.1110.3177.4-168.9-95.1000110.8V151 N154 C156Y149-V151 HydrophobicContact CD1-CG2 3.8Å; Y149-V151 HydrophobicContact CE1-CG2 4.17Å; Y149-V151 PolarHBondContact O-N 3.31Å; Y149-V151 VanDerWaalsContact O-N 3.17Å; Y149-N154 WeakPolarHBondContact OH-CA 3.2Å; Y149-N154 WeakPolarHBondContact OH-CB 3.28Å; Y149-C156 WeakPolarHBondContact CD2-SG 3.41Å
150Y90.2Very high92.8Very high94 Ų9464.1 Ų64.137%0.36932%0.315SS..EExtended strand (participates in β ladder)trans-85.888.8176.9-171.7-120.3000111.1F148 P152 R153 N154 L155F148-Y150 HydrophobicContact CE1-CD2 4.01Å; F148-Y150 HydrophobicContact CE1-CG 4.46Å; Y150-P152 VanDerWaalsContact C-CD 3.42Å; Y150-P152 VanDerWaalsContact C-N 3.35Å; Y150-P152 HydrophobicContact CD2-CG 4.37Å; Y150-P152 HydrophobicContact CE1-CB 3.92Å; Y150-P152 HydrophobicContact CE1-CG 4.15Å; Y150-P152 HydrophobicContact CE2-CB 4.47Å; Y150-P152 HydrophobicContact CE2-CG 3.81Å; Y150-R153 HydrophobicContact CD1-CB 3.84Å; Y150-R153 HydrophobicContact CD1-CG 3.85Å; Y150-R153 HydrophobicContact CE1-CB 4.22Å; Y150-R153 HydrophobicContact CE1-CG 3.72Å; Y150-R153 PolarHBondContact O-N 3.06Å; Y150-R153 VanDerWaalsContact O-N 3.11Å; Y150-N154 PolarHBondContact O-N 3.02Å; Y150-L155 PolarHBondContact N-O 3.09Å; Y150-L155 PolarHBondContact O-N 3.2Å
151V87.6Confident92.8Very high99 Ų9960.1 Ų60.160%0.629%0.293SS*.G310 helixtrans-46.7-45.8-177.2-179.70000113.9Y149 R153 N154Y149-V151 HydrophobicContact CD1-CG2 3.8Å; Y149-V151 HydrophobicContact CE1-CG2 4.17Å; Y149-V151 PolarHBondContact O-N 3.31Å; Y149-V151 VanDerWaalsContact O-N 3.17Å; V151-R153 PolarHBondContact O-N 3.26Å; V151-R153 VanDerWaalsContact O-N 3.09Å; V151-N154 PolarHBondContact O-N 3.01Å; V151-N154 VanDerWaalsContact O-N 3.11Å; V151-N154 PolarHBondContact O-OD1 3.43Å
152P90Very high92.9Very high99 Ų9959.1 Ų59.164%0.64329%0.287SS*.G310 helixtrans-62.3-22.9-176-25.236.6000115.2Y150Y150-P152 VanDerWaalsContact C-CD 3.42Å; Y150-P152 VanDerWaalsContact C-N 3.35Å; Y150-P152 HydrophobicContact CD2-CG 4.37Å; Y150-P152 HydrophobicContact CE1-CB 3.92Å; Y150-P152 HydrophobicContact CE1-CG 4.15Å; Y150-P152 HydrophobicContact CE2-CB 4.47Å; Y150-P152 HydrophobicContact CE2-CG 3.81Å
153R87.9Confident92.8Very high169 Ų16962.1 Ų62.164%0.63830%0.302SS*.G310 helixtrans-111.1-2.9175.1-67.1179179.6-174.1-0.2113.4Y150 V151 L155Y150-R153 HydrophobicContact CD1-CB 3.84Å; Y150-R153 HydrophobicContact CD1-CG 3.85Å; Y150-R153 HydrophobicContact CE1-CB 4.22Å; Y150-R153 HydrophobicContact CE1-CG 3.72Å; Y150-R153 PolarHBondContact O-N 3.06Å; Y150-R153 VanDerWaalsContact O-N 3.11Å; V151-R153 PolarHBondContact O-N 3.26Å; V151-R153 VanDerWaalsContact O-N 3.09Å; R153-L155 HydrophobicContact CB-CB 4.37Å; R153-L155 HydrophobicContact CB-CD1 3.87Å; R153-L155 HydrophobicContact CB-CG 4.02Å; R153-L155 PolarHBondContact O-N 3.29Å
154N86.6Confident92.8Very high113 Ų11366.5 Ų66.560%0.60432%0.321SS*.THydrogen-bonded Turntrans52.641.6-171.1-60.5-34.1000112.7Y149 Y150 V151Y149-N154 WeakPolarHBondContact OH-CA 3.2Å; Y149-N154 WeakPolarHBondContact OH-CB 3.28Å; Y150-N154 PolarHBondContact O-N 3.02Å; V151-N154 PolarHBondContact O-N 3.01Å; V151-N154 VanDerWaalsContact O-N 3.11Å; V151-N154 PolarHBondContact O-OD1 3.43Å
155L88.1Confident92.9Very high80 Ų8066.8 Ų66.842%0.41933%0.329SS..EExtended strand (participates in β ladder)trans-120.1142.7-178.2-68.4172.8000111.1Y150 R153 Y157Y150-L155 PolarHBondContact N-O 3.09Å; Y150-L155 PolarHBondContact O-N 3.2Å; R153-L155 HydrophobicContact CB-CB 4.37Å; R153-L155 HydrophobicContact CB-CD1 3.87Å; R153-L155 HydrophobicContact CB-CG 4.02Å; R153-L155 PolarHBondContact O-N 3.29Å; L155-Y157 HydrophobicContact CB-CE2 3.77Å; L155-Y157 WeakPolarHBondContact CD1-OH 3.46Å
156C90.7Very high92.9Very high21 Ų2166.4 Ų66.414%0.14233%0.327CS..EExtended strand (participates in β ladder)trans-94.5136.8171.1-59.90000109.7H49 Y103 F148 Y149H49-C156 VanDerWaalsContact ND1-CB 3.32Å; H49-C156 WeakPolarHBondContact ND1-CB 3.44Å; Y103-C156 HydrophobicContact CE1-CB 4.21Å; Y103-C156 PolarHBondContact OH-SG 2.84Å; F148-C156 WeakPolarHBondContact O-CA 3.47Å; Y149-C156 WeakPolarHBondContact CD2-SG 3.41Å
157Y92.2Very high93Very high41 Ų4168.3 Ų68.316%0.16133%0.332CS..EExtended strand (participates in β ladder)trans-133169.7167.4-56.6-75.9000108.3H49 P147 F148 L155H49-Y157 PolarHBondContact NE2-O 3.45Å; P147-Y157 CarbonylContact C-O 3.56Å; F148-Y157 PolarHBondContact N-O 2.6Å; F148-Y157 PolarHBondContact O-N 3.3Å; F148-Y157 VanDerWaalsContact O-O 3.08Å; L155-Y157 HydrophobicContact CB-CE2 3.77Å; L155-Y157 WeakPolarHBondContact CD1-OH 3.46Å
158S95.5Very high93.1Very high0 Ų072.1 Ų72.10%034%0.339CS..EExtended strand (participates in β ladder)trans-105.4135161.7-72.60000109.8L46 V47 H49 V146L46-S158 WeakPolarHBondContact CA-O 3.39Å; V47-S158 PolarHBondContact N-O 3.33Å; V47-S158 PolarHBondContact O-N 3.04Å; H49-S158 PolarHBondContact NE2-N 3.48Å; H49-S158 PolarHBondContact NE2-OG 3.41Å; V146-S158 CarbonylContact O-C 3.46Å; V146-S158 VanDerWaalsContact O-CA 3.27Å; V146-S158 WeakPolarHBondContact O-CA 3.39Å
159V95.7Very high93.1Very high26 Ų2672.4 Ų72.416%0.15835%0.345CS..EExtended strand (participates in β ladder)trans-92.8129.6173.1-175.40000107.5I44 L46 M145 V146 F148 W161I44-V159 HydrophobicContact CG2-CG1 3.56Å; L46-V159 HydrophobicContact CD2-CG2 4.01Å; M145-V159 VanDerWaalsContact CA-O 3.27Å; M145-V159 WeakPolarHBondContact CA-O 3.33Å; V146-V159 PolarHBondContact N-O 2.93Å; V146-V159 PolarHBondContact O-N 2.87Å; F148-V159 HydrophobicContact CB-CG2 3.6Å; F148-V159 HydrophobicContact CD1-CG2 4.34Å; F148-V159 HydrophobicContact CG-CG2 3.92Å; V159-W161 HydrophobicContact CB-CE3 4.47Å; V159-W161 HydrophobicContact CB-CZ3 4.16Å; V159-W161 HydrophobicContact CG1-CE3 3.91Å; V159-W161 HydrophobicContact CG1-CZ3 4.01Å; V159-W161 VanDerWaalsContact O-CZ3 3.29Å; V159-W161 WeakPolarHBondContact O-CZ3 3.29Å
160F95.8Very high93.3Very high10 Ų1070.7 Ų70.74%0.04434%0.343CS..EExtended strand (participates in β ladder)trans-124.3137-176.7168.4-84.4000110.4F45 V47 I135 A143 R144 M145 I172 T174F45-F160 HydrophobicContact CB-CD1 4.12Å; F45-F160 AromaticContact CD2-CD1 3.73Å; F45-F160 HydrophobicContact CD2-CD1 3.73Å; F45-F160 HydrophobicContact CD2-CE1 4.07Å; F45-F160 HydrophobicContact CG-CD1 4.3Å; F45-F160 PolarHBondContact N-O 2.81Å; F45-F160 PolarHBondContact O-N 2.91Å; V47-F160 HydrophobicContact CG2-CB 3.86Å; I135-F160 HydrophobicContact CD1-CD2 3.97Å; I135-F160 HydrophobicContact CD1-CE2 3.8Å; A143-F160 HydrophobicContact CB-CD2 4.12Å; A143-F160 HydrophobicContact CB-CE1 4.3Å; A143-F160 HydrophobicContact CB-CE2 3.2Å; A143-F160 HydrophobicContact CB-CZ 3.29Å; R144-F160 WeakPolarHBondContact O-CA 3.42Å; M145-F160 HydrophobicContact CB-CD2 4.29Å; M145-F160 HydrophobicContact CE-CB 4.45Å; M145-F160 HydrophobicContact CE-CD2 3.81Å; M145-F160 HydrophobicContact CG-CB 4.31Å; F160-I172 HydrophobicContact CE2-CG2 3.53Å; F160-I172 HydrophobicContact CZ-CD1 4.24Å; F160-I172 HydrophobicContact CZ-CG2 3.32Å; F160-T174 HydrophobicContact CE2-CG2 4.48Å
161W96.6Very high93.5Very high69 Ų6968.5 Ų68.526%0.26134%0.341SS..EExtended strand (participates in β ladder)trans-153.3150.4177.163.995.8000111.9I44 A143 R144 V146 V159I44-W161 HydrophobicContact CG1-CB 4.27Å; A143-W161 CarbonylContact C-O 3.56Å; A143-W161 VanDerWaalsContact CA-O 3.28Å; A143-W161 WeakPolarHBondContact CA-O 3.32Å; A143-W161 VanDerWaalsContact CB-O 3.28Å; A143-W161 WeakPolarHBondContact CB-O 3.18Å; R144-W161 HydrophobicContact CB-CD2 4.46Å; R144-W161 HydrophobicContact CB-CH2 4.27Å; R144-W161 HydrophobicContact CB-CZ2 3.71Å; R144-W161 PolarHBondContact N-O 2.85Å; R144-W161 PolarHBondContact O-N 2.85Å; R144-W161 VanDerWaalsContact O-N 3.08Å; V146-W161 HydrophobicContact CB-CH2 4.4Å; V146-W161 HydrophobicContact CG1-CH2 3.87Å; V146-W161 HydrophobicContact CG2-CH2 3.71Å; V146-W161 HydrophobicContact CG2-CZ3 3.77Å; V159-W161 HydrophobicContact CB-CE3 4.47Å; V159-W161 HydrophobicContact CB-CZ3 4.16Å; V159-W161 HydrophobicContact CG1-CE3 3.91Å; V159-W161 HydrophobicContact CG1-CZ3 4.01Å; V159-W161 VanDerWaalsContact O-CZ3 3.29Å; V159-W161 WeakPolarHBondContact O-CZ3 3.29Å
162P97.3Very high93.8Very high4 Ų464.5 Ų64.53%0.02632%0.317CS..EExtended strand (participates in β ladder)trans-70.2147.4174.332.1-36.1000111.2L36 V38 N43L36-P162 HydrophobicContact CD2-CB 3.96Å; L36-P162 HydrophobicContact CD2-CG 4.09Å; L36-P162 HydrophobicContact CG-CB 4.35Å; L36-P162 HydrophobicContact CG-CG 4.09Å; V38-P162 HydrophobicContact CG2-CB 4.4Å; V38-P162 HydrophobicContact CG2-CG 4.49Å; N43-P162 HydrophobicContact CB-CG 4.19Å; N43-P162 WeakPolarHBondContact O-CD 3.48Å
163I97.2Very high94.1Very high74 Ų7460.5 Ų60.538%0.37929%0.29SS..SBendtrans-112.9-4.817457.7166.2000113.5P141 T142 R144P141-I163 HydrophobicContact CG-CD1 4.09Å; P141-I163 WeakPolarHBondContact O-CD1 3.26Å; T142-I163 WeakPolarHBondContact O-CG1 3.39Å; T142-I163 PolarHBondContact O-N 2.91Å; R144-I163 HydrophobicContact CB-CG2 4.2Å; R144-I163 HydrophobicContact CG-CD1 4.34Å; R144-I163 HydrophobicContact CG-CG2 3.73Å
164K96.6Very high94.5Very high92 Ų9252.6 Ų52.640%0.426%0.261SS..SBendtrans-141.7155.5167.463.6-170.9-176.4-163.80108.9V38 L166V38-K164 VanDerWaalsContact CG2-CA 3.49Å; K164-L166 HydrophobicContact CG-CD2 3.87Å; K164-L166 PolarHBondContact O-N 2.79Å
165D97.3Very high95Very high93 Ų9348.6 Ų48.650%0.49724%0.239SC..  trans-67.5129.1177.7-66.8-22.1000109.2L37 V38L37-D165 WeakPolarHBondContact CA-OD1 3.25Å; L37-D165 HydrophobicContact CD2-CB 3.98Å; V38-D165 PolarHBondContact N-OD1 3.4Å
166L96.6Very high95.2Very high4 Ų446.4 Ų46.42%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-116.1146.4-179.6-55.4175000110.5V31 Q35 L36 T142 K164 D170 I172V31-L166 HydrophobicContact CG2-CB 3.83Å; V31-L166 HydrophobicContact CG2-CD1 3.96Å; Q35-L166 CarbonylContact C-O 3.46Å; Q35-L166 WeakPolarHBondContact CA-O 3.42Å; L36-L166 HydrophobicContact CB-CB 4.26Å; L36-L166 HydrophobicContact CD2-CD1 4.29Å; L36-L166 PolarHBondContact N-O 2.78Å; L36-L166 PolarHBondContact O-N 3.26Å; T142-L166 HydrophobicContact CG2-CD2 4.1Å; K164-L166 HydrophobicContact CG-CD2 3.87Å; K164-L166 PolarHBondContact O-N 2.79Å; L166-D170 WeakPolarHBondContact CA-OD2 3.35Å; L166-D170 HydrophobicContact CB-CB 4.06Å; L166-D170 HydrophobicContact CD2-CB 4.21Å; L166-I172 HydrophobicContact CD1-CG1 4.35Å
167Q96.1Very high95.4Very high87 Ų8745.4 Ų45.441%0.40722%0.219SC..EExtended strand (participates in β ladder)trans-100.6166.2172.8-57.8-60.5-5900110.3V31 N169 D170V31-Q167 WeakPolarHBondContact CB-O 3.29Å; Q167-N169 PolarHBondContact O-N 3.04Å; Q167-D170 PolarHBondContact N-OD2 3.32Å; Q167-D170 VanDerWaalsContact O-CB 3.26Å; Q167-D170 WeakPolarHBondContact O-CB 3.32Å; Q167-D170 PolarHBondContact O-N 3.42Å
168R94.4Very high95.4Very high139 Ų13946.6 Ų46.653%0.52523%0.226SC..THydrogen-bonded Turntrans-48.9135.5171.4-167.9173176.2169.90.6111.9S33 D34 D170S33-R168 VanDerWaalsContact O-CA 3.26Å; S33-R168 WeakPolarHBondContact O-CA 3.2Å; S33-R168 WeakPolarHBondContact O-CB 3.39Å; D34-R168 PolarHBondContact O-N 2.88Å; R168-D170 PolarHBondContact O-N 3.17Å
169N92.9Very high95.2Very high106 Ų10651 Ų5157%0.56725%0.246SC*.THydrogen-bonded Turntrans71.22.1-176.9-47.6-45.1000115.8V31 Q167V31-N169 PolarHBondContact O-N 3.11Å; Q167-N169 PolarHBondContact O-N 3.04Å
170D94.7Very high95Very high65 Ų6550.4 Ų50.435%0.34824%0.243SC..PPolyproline II helixtrans-66.4143.9168.6-72.4-10.8000110.2L30 V31 L166 Q167 R168L30-D170 WeakPolarHBondContact CA-O 3.37Å; V31-D170 HydrophobicContact CG2-CB 4.41Å; V31-D170 PolarHBondContact N-O 2.92Å; L166-D170 WeakPolarHBondContact CA-OD2 3.35Å; L166-D170 HydrophobicContact CB-CB 4.06Å; L166-D170 HydrophobicContact CD2-CB 4.21Å; Q167-D170 PolarHBondContact N-OD2 3.32Å; Q167-D170 VanDerWaalsContact O-CB 3.26Å; Q167-D170 WeakPolarHBondContact O-CB 3.32Å; Q167-D170 PolarHBondContact O-N 3.42Å; R168-D170 PolarHBondContact O-N 3.17Å
171S94Very high94.9Very high47 Ų4757.5 Ų57.533%0.32927%0.274SS..EExtended strand (participates in β ladder)trans-72.8136.8177.1-58.70000111.5N28 T142N28-S171 PolarHBondContact ND2-OG 3.1Å; T142-S171 VanDerWaalsContact CG2-O 3.28Å; T142-S171 WeakPolarHBondContact CG2-O 3.41Å; T142-S171 PolarHBondContact OG1-O 3.15Å
172I94.9Very high94.8Very high16 Ų1657.4 Ų57.48%0.08228%0.278CS..EExtended strand (participates in β ladder)trans-94.5117.3170.6-65.1-175.8000108.5I29 V31 I135 T142 A143 F160 L166I29-I172 HydrophobicContact CB-CB 4.17Å; I29-I172 HydrophobicContact CG2-CB 4Å; I29-I172 HydrophobicContact CG2-CD1 4Å; I29-I172 HydrophobicContact CG2-CG1 4.35Å; I29-I172 PolarHBondContact O-N 3.14Å; V31-I172 HydrophobicContact CG2-CD1 4.07Å; V31-I172 HydrophobicContact CG2-CG1 3.97Å; I135-I172 HydrophobicContact CD1-CG2 4.15Å; I135-I172 HydrophobicContact CG1-CG2 4.12Å; I135-I172 HydrophobicContact CG2-CG2 4.1Å; T142-I172 VanDerWaalsContact OG1-CA 3.32Å; T142-I172 WeakPolarHBondContact OG1-CA 3.2Å; A143-I172 HydrophobicContact CB-CG2 4.34Å; F160-I172 HydrophobicContact CE2-CG2 3.53Å; F160-I172 HydrophobicContact CZ-CD1 4.24Å; F160-I172 HydrophobicContact CZ-CG2 3.32Å; L166-I172 HydrophobicContact CD1-CG1 4.35Å
173T96.3Very high94.7Very high14 Ų1461.7 Ų61.79%0.08631%0.306CS..EExtended strand (participates in β ladder)trans-134.6153.2-178.859.50000111Q136 S138 T142 A143Q136-T173 HydrophobicContact CB-CG2 4.48Å; Q136-T173 CarbonylContact O-C 3.55Å; Q136-T173 VanDerWaalsContact O-CA 3.27Å; Q136-T173 WeakPolarHBondContact O-CA 3.4Å; Q136-T173 WeakPolarHBondContact O-CB 3.4Å; S138-T173 WeakPolarHBondContact CB-OG1 3.32Å; T142-T173 PolarHBondContact N-O 3.27Å; T142-T173 VanDerWaalsContact N-O 3.13Å; T142-T173 PolarHBondContact N-OG1 3.21Å; T142-T173 PolarHBondContact OG1-N 3.38Å; A143-T173 PolarHBondContact N-O 2.9Å
174T96.1Very high94.6Very high3 Ų365.5 Ų65.52%0.01832%0.322CS..EExtended strand (participates in β ladder)trans-130.3150.817557.90000110.5R101 I135 Q136 H137 S138 M145 F160 Y176R101-T174 PolarHBondContact NH2-OG1 2.87Å; I135-T174 HydrophobicContact CG2-CG2 3.76Å; Q136-T174 PolarHBondContact O-N 3.42Å; H137-T174 CarbonylContact C-O 3.47Å; H137-T174 VanDerWaalsContact CA-O 3.26Å; H137-T174 WeakPolarHBondContact CA-O 3.38Å; H137-T174 PolarHBondContact ND1-O 3.19Å; S138-T174 PolarHBondContact N-O 3.34Å; S138-T174 VanDerWaalsContact N-O 3.14Å; M145-T174 HydrophobicContact CB-CG2 4.19Å; F160-T174 HydrophobicContact CE2-CG2 4.48Å; T174-Y176 PolarHBondContact O-N 3.35Å; T174-Y176 WeakPolarHBondContact OG1-CE1 3.34Å
175D95.6Very high94.5Very high30 Ų3063.3 Ų63.316%0.1632%0.315CS..  trans-77.9117169.6-175.3-5.7000108.6H137 P141 V177 E178 R186H137-D175 IonicContact CE1-OD1 2.71Å; H137-D175 PolarHBondContact CE1-OD1 3.41Å; H137-D175 VanDerWaalsContact CE1-OD1 3.27Å; H137-D175 IonicContact ND1-OD1 3.33Å; P141-D175 HydrophobicContact CB-CB 4.36Å; P141-D175 HydrophobicContact CG-CB 3.98Å; D175-V177 VanDerWaalsContact C-N 3.3Å; D175-V177 VanDerWaalsContact OD1-C 3.27Å; D175-V177 PolarHBondContact OD1-N 2.9Å; D175-E178 HydrophobicContact CB-CB 4.11Å; D175-E178 HydrophobicContact CB-CG 4.37Å; D175-E178 PolarHBondContact OD1-N 3.41Å; D175-E178 VanDerWaalsContact OD2-CA 3.28Å; D175-E178 WeakPolarHBondContact OD2-CA 3.1Å; D175-R186 VanDerWaalsContact CG-NH2 3.26Å; D175-R186 IonicContact OD1-CZ 2.73Å; D175-R186 IonicContact OD1-NH1 3.35Å; D175-R186 IonicContact OD1-NH2 3.42Å; D175-R186 PolarHBondContact OD1-NH2 3.06Å; D175-R186 IonicContact OD2-CZ 3.85Å; D175-R186 IonicContact OD2-NH1 3.88Å; D175-R186 PolarHBondContact OD2-NH1 3.07Å; D175-R186 IonicContact OD2-NH2 2.9Å; D175-R186 PolarHBondContact OD2-NH2 3.39Å; D175-R186 VanDerWaalsContact OD2-NH2 3.1Å
176Y93.4Very high94.4Very high33 Ų3360.4 Ų60.413%0.12930%0.297CS..THydrogen-bonded Turntrans-77.5-22.6-178.8-68.6-18.7000112.2I135 Q136 H137 T174 W193I135-Y176 WeakPolarHBondContact O-CE1 3.27Å; I135-Y176 PolarHBondContact O-OH 3.44Å; Q136-Y176 VanDerWaalsContact CA-OH 3.28Å; Q136-Y176 WeakPolarHBondContact CA-OH 3.38Å; H137-Y176 HydrophobicContact CB-CD2 3.46Å; H137-Y176 VanDerWaalsContact CB-CD2 3.46Å; H137-Y176 HydrophobicContact CB-CE2 3.52Å; H137-Y176 HydrophobicContact CB-CG 4.05Å; H137-Y176 AromaticContact CG-CD2 3.91Å; H137-Y176 VanDerWaalsContact N-CZ 3.3Å; H137-Y176 PolarHBondContact N-OH 2.58Å; H137-Y176 AromaticContact ND1-CG 3.87Å; H137-Y176 PolarHBondContact ND1-N 3.29Å; H137-Y176 VanDerWaalsContact ND1-N 3.15Å; T174-Y176 PolarHBondContact O-N 3.35Å; T174-Y176 WeakPolarHBondContact OG1-CE1 3.34Å; Y176-W193 HydrophobicContact CD2-CB 4.36Å; Y176-W193 AromaticContact CD2-CD1 3.55Å; Y176-W193 AromaticContact CD2-CD2 3.41Å; Y176-W193 HydrophobicContact CD2-CD2 3.41Å; Y176-W193 VanDerWaalsContact CD2-CD2 3.41Å; Y176-W193 AromaticContact CD2-CE2 3.36Å; Y176-W193 HydrophobicContact CD2-CE3 4.05Å; Y176-W193 AromaticContact CD2-CG 3.54Å; Y176-W193 HydrophobicContact CD2-CG 3.54Å; Y176-W193 HydrophobicContact CD2-CH2 4.44Å; Y176-W193 AromaticContact CD2-CZ2 3.93Å; Y176-W193 HydrophobicContact CD2-CZ2 3.93Å; Y176-W193 AromaticContact CD2-NE1 3.44Å; Y176-W193 HydrophobicContact CE2-CB 4.38Å; Y176-W193 AromaticContact CE2-CD1 3.19Å; Y176-W193 AromaticContact CE2-CD2 3.94Å; Y176-W193 HydrophobicContact CE2-CD2 3.94Å; Y176-W193 AromaticContact CE2-CE2 3.74Å; Y176-W193 AromaticContact CE2-CG 3.61Å; Y176-W193 HydrophobicContact CE2-CG 3.61Å; Y176-W193 AromaticContact CE2-NE1 3.28Å; Y176-W193 VanDerWaalsContact CE2-NE1 3.28Å; Y176-W193 HydrophobicContact CG-CD2 4.35Å; Y176-W193 HydrophobicContact CG-CZ2 4.19Å
177V93.5Very high94.5Very high0 Ų062.2 Ų62.20%031%0.309CS..THydrogen-bonded Turntrans-121.739.8-176.8-63.50000109.5D175 H179 V180 R186 L190 W193D175-V177 VanDerWaalsContact C-N 3.3Å; D175-V177 VanDerWaalsContact OD1-C 3.27Å; D175-V177 PolarHBondContact OD1-N 2.9Å; V177-H179 PolarHBondContact O-N 3.38Å; V177-V180 HydrophobicContact CB-CB 4.27Å; V177-V180 HydrophobicContact CB-CG2 3.94Å; V177-V180 WeakPolarHBondContact O-CB 3.11Å; V177-V180 PolarHBondContact O-N 3.38Å; V177-R186 PolarHBondContact O-NH1 2.77Å; V177-R186 VanDerWaalsContact O-NH1 3.14Å; V177-L190 HydrophobicContact CG1-CD2 4.08Å; V177-L190 HydrophobicContact CG1-CG 4.43Å; V177-L190 HydrophobicContact CG2-CD1 4.39Å; V177-L190 HydrophobicContact CG2-CD2 3.73Å; V177-L190 HydrophobicContact CG2-CG 3.88Å; V177-W193 HydrophobicContact CG1-CZ3 4.22Å
178E92.9Very high94.5Very high66 Ų6659.1 Ų59.131%0.30829%0.293SS..THydrogen-bonded Turntrans-54.8-29-177.5-161-161.8148.500112.9R144 D175 K181R144-E178 IonicContact CZ-OE1 3.1Å; R144-E178 IonicContact CZ-OE2 3.3Å; R144-E178 VanDerWaalsContact CZ-OE2 3.29Å; R144-E178 VanDerWaalsContact NE-CD 3.34Å; R144-E178 IonicContact NE-OE1 2.79Å; R144-E178 PolarHBondContact NE-OE1 3.32Å; R144-E178 VanDerWaalsContact NE-OE1 3.08Å; R144-E178 IonicContact NE-OE2 3.3Å; R144-E178 PolarHBondContact NE-OE2 3.35Å; R144-E178 IonicContact NH1-OE1 3.88Å; R144-E178 IonicContact NH2-OE1 3.59Å; R144-E178 PolarHBondContact NH2-OE1 3.07Å; R144-E178 IonicContact NH2-OE2 2.79Å; R144-E178 PolarHBondContact NH2-OE2 3.05Å; D175-E178 HydrophobicContact CB-CB 4.11Å; D175-E178 HydrophobicContact CB-CG 4.37Å; D175-E178 PolarHBondContact OD1-N 3.41Å; D175-E178 VanDerWaalsContact OD2-CA 3.28Å; D175-E178 WeakPolarHBondContact OD2-CA 3.1Å; E178-K181 WeakPolarHBondContact O-CE 3.43Å; E178-K181 PolarHBondContact O-NZ 2.87Å
179H90.7Very high94.5Very high93 Ų9353.9 Ų53.943%0.43127%0.274SS..THydrogen-bonded Turntrans-74.2-21.317758.9-69.1000113.7V177 K181 D403V177-H179 PolarHBondContact O-N 3.38Å; H179-K181 PolarHBondContact O-N 3.43Å; H179-D403 IonicContact CE1-OD1 3.6Å; H179-D403 PolarHBondContact CE1-OD1 3.16Å; H179-D403 IonicContact NE2-OD1 3.95Å; H179-D403 PolarHBondContact NE2-OD1 3.42Å
180V93.1Very high94.7Very high13 Ų1349 Ų498%0.07925%0.248CC..  trans-83.298.6-178-174.80000109.8V177 L185 R186 Y189V177-V180 HydrophobicContact CB-CB 4.27Å; V177-V180 HydrophobicContact CB-CG2 3.94Å; V177-V180 WeakPolarHBondContact O-CB 3.11Å; V177-V180 PolarHBondContact O-N 3.38Å; V180-L185 HydrophobicContact CG1-CB 4.08Å; V180-R186 HydrophobicContact CB-CG 4.41Å; V180-R186 HydrophobicContact CG1-CG 3.95Å; V180-R186 PolarHBondContact O-NH1 3.24Å; V180-R186 VanDerWaalsContact O-NH1 3.09Å; V180-Y189 HydrophobicContact CB-CD2 4.43Å; V180-Y189 HydrophobicContact CG1-CD2 3.85Å; V180-Y189 HydrophobicContact CG1-CE2 4.23Å; V180-Y189 HydrophobicContact CG2-CD1 4.06Å; V180-Y189 HydrophobicContact CG2-CD2 3.69Å; V180-Y189 HydrophobicContact CG2-CE1 4.4Å; V180-Y189 HydrophobicContact CG2-CE2 4.06Å; V180-Y189 HydrophobicContact CG2-CG 3.69Å
181K92.6Very high94.7Very high159 Ų15946.6 Ų46.669%0.69124%0.235SC*.  trans-85.4-22.3-176.6-57.8-49.8-176-168.40114.5E178 H179 P183E178-K181 WeakPolarHBondContact O-CE 3.43Å; E178-K181 PolarHBondContact O-NZ 2.87Å; H179-K181 PolarHBondContact O-N 3.43Å; K181-P183 VanDerWaalsContact O-CD 3.29Å; K181-P183 WeakPolarHBondContact O-CD 3.34Å
182N94.4Very high94.7Very high67 Ų6744.7 Ų44.736%0.35822%0.221SC..  trans-80.5113.9176.6-176.2-4.4000109.2E184 L185 R186N182-E184 PolarHBondContact O-N 2.7Å; N182-E184 PolarHBondContact OD1-N 3.01Å; N182-L185 HydrophobicContact CB-CB 4.29Å; N182-L185 HydrophobicContact CB-CD1 4.07Å; N182-L185 HydrophobicContact CB-CG 4.14Å; N182-L185 PolarHBondContact O-N 3.24Å; N182-L185 VanDerWaalsContact O-N 3.11Å; N182-R186 PolarHBondContact O-N 3.05Å
183P95.4Very high94.6Very high94 Ų9446 Ų4661%0.6123%0.225SC*.G310 helixtrans-58.7-34.3179.8-22.834.9000113.2K181 L185 R186 P187K181-P183 VanDerWaalsContact O-CD 3.29Å; K181-P183 WeakPolarHBondContact O-CD 3.34Å; P183-L185 PolarHBondContact O-N 3.11Å; P183-R186 PolarHBondContact O-N 2.83Å; P183-P187 WeakPolarHBondContact O-CD 3.41Å
184E94.9Very high94.4Very high155 Ų15549.6 Ų49.672%0.72424%0.241SC*.G310 helixtrans-66.6-24.3-179.8-62.3177.2172.100112.4N182 Y188N182-E184 PolarHBondContact O-N 2.7Å; N182-E184 PolarHBondContact OD1-N 3.01Å; E184-Y188 VanDerWaalsContact O-CE2 3.29Å; E184-Y188 WeakPolarHBondContact O-CE2 3.32Å
185L95Very high94.1Very high45 Ų4555.4 Ų55.424%0.23628%0.282CS..G310 helixtrans-90.5-18.1178.8-66.1179.2000113.1V180 N182 P183 Y188 Y189 P347V180-L185 HydrophobicContact CG1-CB 4.08Å; N182-L185 HydrophobicContact CB-CB 4.29Å; N182-L185 HydrophobicContact CB-CD1 4.07Å; N182-L185 HydrophobicContact CB-CG 4.14Å; N182-L185 PolarHBondContact O-N 3.24Å; N182-L185 VanDerWaalsContact O-N 3.11Å; P183-L185 PolarHBondContact O-N 3.11Å; L185-Y188 HydrophobicContact CD2-CD2 4.5Å; L185-Y188 PolarHBondContact O-N 3.26Å; L185-Y189 HydrophobicContact CB-CD2 4.29Å; L185-Y189 HydrophobicContact CB-CE2 4.31Å; L185-Y189 WeakPolarHBondContact O-CD2 3.37Å; L185-Y189 PolarHBondContact O-N 2.78Å; L185-P347 HydrophobicContact CD2-CG 3.79Å
186R95.8Very high94.1Very high33 Ų3358.2 Ų58.213%0.12529%0.294CS..Hα-helixtrans-57-44.8-174.1-66.5-179.869.675.81.3113D139 D175 V177 V180 N182 P183 Y188 Y189 L190D139-R186 IonicContact OD1-CZ 2.72Å; D139-R186 IonicContact OD1-NE 3.61Å; D139-R186 PolarHBondContact OD1-NE 3.37Å; D139-R186 IonicContact OD1-NH2 3.65Å; D139-R186 PolarHBondContact OD1-NH2 3.36Å; D175-R186 VanDerWaalsContact CG-NH2 3.26Å; D175-R186 IonicContact OD1-CZ 2.73Å; D175-R186 IonicContact OD1-NH1 3.35Å; D175-R186 IonicContact OD1-NH2 3.42Å; D175-R186 PolarHBondContact OD1-NH2 3.06Å; D175-R186 IonicContact OD2-CZ 3.85Å; D175-R186 IonicContact OD2-NH1 3.88Å; D175-R186 PolarHBondContact OD2-NH1 3.07Å; D175-R186 IonicContact OD2-NH2 2.9Å; D175-R186 PolarHBondContact OD2-NH2 3.39Å; D175-R186 VanDerWaalsContact OD2-NH2 3.1Å; V177-R186 PolarHBondContact O-NH1 2.77Å; V177-R186 VanDerWaalsContact O-NH1 3.14Å; V180-R186 HydrophobicContact CB-CG 4.41Å; V180-R186 HydrophobicContact CG1-CG 3.95Å; V180-R186 PolarHBondContact O-NH1 3.24Å; V180-R186 VanDerWaalsContact O-NH1 3.09Å; N182-R186 PolarHBondContact O-N 3.05Å; P183-R186 PolarHBondContact O-N 2.83Å; R186-Y188 VanDerWaalsContact C-N 3.32Å; R186-Y188 PolarHBondContact O-N 3.22Å; R186-Y189 PolarHBondContact O-N 2.98Å; R186-Y189 VanDerWaalsContact O-N 3.07Å; R186-L190 HydrophobicContact CB-CD1 4.47Å; R186-L190 WeakPolarHBondContact O-CB 3.4Å; R186-L190 WeakPolarHBondContact O-CG 3.28Å; R186-L190 PolarHBondContact O-N 3.48Å
187P97Very high94.2Very high41 Ų4160.9 Ų60.927%0.26631%0.311SS..Hα-helixtrans-55.4-44.1-179.8-27.236.5000113.1P183 Y189 L190 L191 F198P183-P187 WeakPolarHBondContact O-CD 3.41Å; P187-Y189 PolarHBondContact O-N 3.18Å; P187-L190 PolarHBondContact O-N 3.37Å; P187-L190 VanDerWaalsContact O-N 3.1Å; P187-L191 PolarHBondContact O-N 2.99Å; P187-L191 VanDerWaalsContact O-N 3.17Å; P187-F198 HydrophobicContact CB-CE1 4.29Å; P187-F198 HydrophobicContact CB-CZ 3.65Å
188Y96.6Very high94.4Very high22 Ų2261.3 Ų61.39%0.08631%0.312CS..Hα-helixtrans-65.4-36.3177.9-49.5-81.9000113.2E184 L185 R186 L190 F198 E201 P347 C350 I399E184-Y188 VanDerWaalsContact O-CE2 3.29Å; E184-Y188 WeakPolarHBondContact O-CE2 3.32Å; L185-Y188 HydrophobicContact CD2-CD2 4.5Å; L185-Y188 PolarHBondContact O-N 3.26Å; R186-Y188 VanDerWaalsContact C-N 3.32Å; R186-Y188 PolarHBondContact O-N 3.22Å; Y188-L190 VanDerWaalsContact C-N 3.29Å; Y188-F198 HydrophobicContact CD1-CD1 4.41Å; Y188-F198 AromaticContact CD1-CD2 3.75Å; Y188-F198 HydrophobicContact CD1-CD2 3.75Å; Y188-F198 HydrophobicContact CD1-CE1 4.45Å; Y188-F198 AromaticContact CD1-CE2 3.79Å; Y188-F198 HydrophobicContact CD1-CE2 3.79Å; Y188-F198 HydrophobicContact CD1-CG 4.06Å; Y188-F198 HydrophobicContact CD1-CZ 4.16Å; Y188-F198 HydrophobicContact CE1-CB 4.19Å; Y188-F198 AromaticContact CE1-CD1 3.71Å; Y188-F198 HydrophobicContact CE1-CD1 3.71Å; Y188-F198 AromaticContact CE1-CD2 3.83Å; Y188-F198 HydrophobicContact CE1-CD2 3.83Å; Y188-F198 AromaticContact CE1-CE1 3.98Å; Y188-F198 HydrophobicContact CE1-CE1 3.98Å; Y188-F198 HydrophobicContact CE1-CE2 4.08Å; Y188-F198 AromaticContact CE1-CG 3.63Å; Y188-F198 HydrophobicContact CE1-CG 3.63Å; Y188-F198 HydrophobicContact CE1-CZ 4.15Å; Y188-E201 WeakPolarHBondContact CE1-OE2 3.32Å; Y188-E201 PolarHBondContact OH-OE1 3.31Å; Y188-E201 PolarHBondContact OH-OE2 3.46Å; Y188-P347 HydrophobicContact CD1-CB 4.4Å; Y188-P347 HydrophobicContact CD2-CB 4.46Å; Y188-P347 HydrophobicContact CD2-CG 4Å; Y188-P347 HydrophobicContact CE1-CB 3.8Å; Y188-P347 HydrophobicContact CE1-CG 4.36Å; Y188-P347 HydrophobicContact CE2-CB 3.87Å; Y188-P347 HydrophobicContact CE2-CG 3.64Å; Y188-P347 HydrophobicContact CG-CG 4.49Å; Y188-C350 HydrophobicContact CD1-CB 3.86Å; Y188-C350 HydrophobicContact CE1-CB 4.44Å; Y188-I399 WeakPolarHBondContact O-CD1 3.47Å
189Y95.3Very high94.5Very high30 Ų3059 Ų5912%0.11830%0.304CS..Hα-helixtrans-74.4-21.5175.2-80.9-83.1000112.9V180 L185 R186 P187 P192 L346 I399 D403V180-Y189 HydrophobicContact CB-CD2 4.43Å; V180-Y189 HydrophobicContact CG1-CD2 3.85Å; V180-Y189 HydrophobicContact CG1-CE2 4.23Å; V180-Y189 HydrophobicContact CG2-CD1 4.06Å; V180-Y189 HydrophobicContact CG2-CD2 3.69Å; V180-Y189 HydrophobicContact CG2-CE1 4.4Å; V180-Y189 HydrophobicContact CG2-CE2 4.06Å; V180-Y189 HydrophobicContact CG2-CG 3.69Å; L185-Y189 HydrophobicContact CB-CD2 4.29Å; L185-Y189 HydrophobicContact CB-CE2 4.31Å; L185-Y189 WeakPolarHBondContact O-CD2 3.37Å; L185-Y189 PolarHBondContact O-N 2.78Å; R186-Y189 PolarHBondContact O-N 2.98Å; R186-Y189 VanDerWaalsContact O-N 3.07Å; P187-Y189 PolarHBondContact O-N 3.18Å; Y189-P192 WeakPolarHBondContact O-CD 3.41Å; Y189-L346 HydrophobicContact CD1-CD2 4.43Å; Y189-L346 HydrophobicContact CD2-CD2 3.8Å; Y189-L346 HydrophobicContact CE1-CD2 4.2Å; Y189-L346 HydrophobicContact CE2-CD2 3.54Å; Y189-L346 HydrophobicContact CG-CD2 4.25Å; Y189-I399 HydrophobicContact CD1-CG2 4.19Å; Y189-D403 WeakPolarHBondContact CD1-OD1 3.46Å; Y189-D403 WeakPolarHBondContact CE1-OD1 3.36Å
190L96Very high94.7Very high4 Ų461.9 Ų61.92%0.02132%0.321CS..Hα-helixtrans-86.5-13178.9-75.4170.9000114.1H137 V177 R186 P187 Y188 P192 W193 E194H137-L190 VanDerWaalsContact CD2-CD2 3.48Å; H137-L190 WeakPolarHBondContact CD2-CD2 3.48Å; H137-L190 WeakPolarHBondContact NE2-CD2 3.4Å; V177-L190 HydrophobicContact CG1-CD2 4.08Å; V177-L190 HydrophobicContact CG1-CG 4.43Å; V177-L190 HydrophobicContact CG2-CD1 4.39Å; V177-L190 HydrophobicContact CG2-CD2 3.73Å; V177-L190 HydrophobicContact CG2-CG 3.88Å; R186-L190 HydrophobicContact CB-CD1 4.47Å; R186-L190 WeakPolarHBondContact O-CB 3.4Å; R186-L190 WeakPolarHBondContact O-CG 3.28Å; R186-L190 PolarHBondContact O-N 3.48Å; P187-L190 PolarHBondContact O-N 3.37Å; P187-L190 VanDerWaalsContact O-N 3.1Å; Y188-L190 VanDerWaalsContact C-N 3.29Å; L190-P192 VanDerWaalsContact C-N 3.27Å; L190-P192 WeakPolarHBondContact O-CD 3.42Å; L190-W193 HydrophobicContact CD2-CE3 4.37Å; L190-W193 WeakPolarHBondContact O-CA 3.49Å; L190-W193 PolarHBondContact O-N 2.76Å; L190-E194 HydrophobicContact CB-CB 4.41Å; L190-E194 PolarHBondContact O-N 3.33Å
191L95.6Very high94.8Very high14 Ų1464 Ų647%0.07333%0.33CS..THydrogen-bonded Turntrans-41.7-39.5176.5-81.4170.3000116.1P187 W193 E194 E196 F198 C350 L395 I399P187-L191 PolarHBondContact O-N 2.99Å; P187-L191 VanDerWaalsContact O-N 3.17Å; L191-W193 PolarHBondContact O-N 3.11Å; L191-E194 WeakPolarHBondContact CA-O 3.41Å; L191-E196 HydrophobicContact CD2-CB 4.36Å; L191-E196 VanDerWaalsContact CD2-O 3.31Å; L191-E196 WeakPolarHBondContact CD2-O 3.32Å; L191-F198 HydrophobicContact CD1-CD2 4.12Å; L191-F198 HydrophobicContact CD1-CE2 3.97Å; L191-F198 HydrophobicContact CD2-CD2 4.17Å; L191-F198 HydrophobicContact CD2-CE2 3.74Å; L191-F198 HydrophobicContact CG-CD2 4.46Å; L191-F198 HydrophobicContact CG-CE2 3.9Å; L191-C350 HydrophobicContact CD1-CB 4.3Å; L191-L395 HydrophobicContact CD1-CD2 4.08Å; L191-I399 HydrophobicContact CB-CD1 3.58Å; L191-I399 HydrophobicContact CD1-CD1 3.61Å; L191-I399 HydrophobicContact CG-CD1 4.23Å
192P94.1Very high94.9Very high7 Ų761 Ų615%0.04533%0.327CS..THydrogen-bonded Turntrans-60.3-17.4175.7-24.234.1000115.2K98 Y189 L190 D396 I399 K400K98-P192 WeakPolarHBondContact CG-O 3.49Å; Y189-P192 WeakPolarHBondContact O-CD 3.41Å; L190-P192 VanDerWaalsContact C-N 3.27Å; L190-P192 WeakPolarHBondContact O-CD 3.42Å; P192-D396 HydrophobicContact CB-CB 3.99Å; P192-D396 HydrophobicContact CG-CB 4.14Å; P192-I399 HydrophobicContact CG-CB 4.31Å; P192-I399 HydrophobicContact CG-CG2 4.1Å; P192-K400 HydrophobicContact CB-CD 4.42Å; P192-K400 HydrophobicContact CG-CD 4.02Å; P192-K400 HydrophobicContact CG-CG 4.24Å
193W92.9Very high94.9Very high42 Ų4258.8 Ų58.816%0.15931%0.314CS..THydrogen-bonded Turntrans-120.3-34.7-177.7-60.4-84.1000113K98 Y176 V177 L190 L191 K400K98-W193 VanDerWaalsContact CG-CD1 3.42Å; K98-W193 HydrophobicContact CG-CG 4.27Å; K98-W193 PolarHBondContact O-NE1 3.28Å; Y176-W193 HydrophobicContact CD2-CB 4.36Å; Y176-W193 AromaticContact CD2-CD1 3.55Å; Y176-W193 AromaticContact CD2-CD2 3.41Å; Y176-W193 HydrophobicContact CD2-CD2 3.41Å; Y176-W193 VanDerWaalsContact CD2-CD2 3.41Å; Y176-W193 AromaticContact CD2-CE2 3.36Å; Y176-W193 HydrophobicContact CD2-CE3 4.05Å; Y176-W193 AromaticContact CD2-CG 3.54Å; Y176-W193 HydrophobicContact CD2-CG 3.54Å; Y176-W193 HydrophobicContact CD2-CH2 4.44Å; Y176-W193 AromaticContact CD2-CZ2 3.93Å; Y176-W193 HydrophobicContact CD2-CZ2 3.93Å; Y176-W193 AromaticContact CD2-NE1 3.44Å; Y176-W193 HydrophobicContact CE2-CB 4.38Å; Y176-W193 AromaticContact CE2-CD1 3.19Å; Y176-W193 AromaticContact CE2-CD2 3.94Å; Y176-W193 HydrophobicContact CE2-CD2 3.94Å; Y176-W193 AromaticContact CE2-CE2 3.74Å; Y176-W193 AromaticContact CE2-CG 3.61Å; Y176-W193 HydrophobicContact CE2-CG 3.61Å; Y176-W193 AromaticContact CE2-NE1 3.28Å; Y176-W193 VanDerWaalsContact CE2-NE1 3.28Å; Y176-W193 HydrophobicContact CG-CD2 4.35Å; Y176-W193 HydrophobicContact CG-CZ2 4.19Å; V177-W193 HydrophobicContact CG1-CZ3 4.22Å; L190-W193 HydrophobicContact CD2-CE3 4.37Å; L190-W193 WeakPolarHBondContact O-CA 3.49Å; L190-W193 PolarHBondContact O-N 2.76Å; L191-W193 PolarHBondContact O-N 3.11Å; W193-K400 HydrophobicContact CH2-CD 3.72Å; W193-K400 HydrophobicContact CZ2-CD 4.34Å; W193-K400 HydrophobicContact CZ3-CD 4.26Å
194E92Very high94.9Very high90 Ų9057.7 Ų57.742%0.42130%0.301SS..SBendtrans-120.3105-176.7-64.1-177.4179.900108.9H137 L190 L191 E196H137-E194 IonicContact CD2-OE1 3.33Å; H137-E194 PolarHBondContact CD2-OE1 3.5Å; L190-E194 HydrophobicContact CB-CB 4.41Å; L190-E194 PolarHBondContact O-N 3.33Å; L191-E194 WeakPolarHBondContact CA-O 3.41Å; E194-E196 PolarHBondContact O-N 3.31Å
195S90.2Very high94.9Very high125 Ų12550.6 Ų50.687%0.87427%0.268SS*.  trans-69.5121.7178.7-174.80000110.1
196E94.8Very high94.8Very high90 Ų9051.3 Ų51.342%0.42127%0.274SS..  trans-139.4139.2174.9-169.8170174.400109L191 E194 F198 Q354L191-E196 HydrophobicContact CD2-CB 4.36Å; L191-E196 VanDerWaalsContact CD2-O 3.31Å; L191-E196 WeakPolarHBondContact CD2-O 3.32Å; E194-E196 PolarHBondContact O-N 3.31Å; E196-F198 HydrophobicContact CB-CE1 4.41Å; E196-F198 HydrophobicContact CB-CE2 3.84Å; E196-F198 HydrophobicContact CB-CZ 3.71Å; E196-F198 HydrophobicContact CG-CD1 4.43Å; E196-F198 HydrophobicContact CG-CE1 3.72Å; E196-F198 HydrophobicContact CG-CE2 4.05Å; E196-F198 HydrophobicContact CG-CZ 3.5Å; E196-F198 WeakPolarHBondContact OE1-CE1 3.48Å; E196-F198 WeakPolarHBondContact OE2-CZ 3.15Å; E196-Q354 PolarHBondContact O-NE2 3.06Å
197D96Very high94.8Very high89 Ų8952.3 Ų52.348%0.47628%0.278SS..  trans-97.9109.8-179.9-176.118.3000111.3S199D197-S199 VanDerWaalsContact CG-OG 3.24Å; D197-S199 WeakPolarHBondContact OD1-CB 3.21Å; D197-S199 PolarHBondContact OD1-N 3.23Å; D197-S199 PolarHBondContact OD1-OG 3.42Å; D197-S199 PolarHBondContact OD2-OG 3.41Å
198F97.5Very high94.7Very high8 Ų850.5 Ų50.54%0.03527%0.266CS..  trans-100.711175.1-54.1-70.4000112.4P187 Y188 L191 E196 I200 E201 A351 Q354P187-F198 HydrophobicContact CB-CE1 4.29Å; P187-F198 HydrophobicContact CB-CZ 3.65Å; Y188-F198 HydrophobicContact CD1-CD1 4.41Å; Y188-F198 AromaticContact CD1-CD2 3.75Å; Y188-F198 HydrophobicContact CD1-CD2 3.75Å; Y188-F198 HydrophobicContact CD1-CE1 4.45Å; Y188-F198 AromaticContact CD1-CE2 3.79Å; Y188-F198 HydrophobicContact CD1-CE2 3.79Å; Y188-F198 HydrophobicContact CD1-CG 4.06Å; Y188-F198 HydrophobicContact CD1-CZ 4.16Å; Y188-F198 HydrophobicContact CE1-CB 4.19Å; Y188-F198 AromaticContact CE1-CD1 3.71Å; Y188-F198 HydrophobicContact CE1-CD1 3.71Å; Y188-F198 AromaticContact CE1-CD2 3.83Å; Y188-F198 HydrophobicContact CE1-CD2 3.83Å; Y188-F198 AromaticContact CE1-CE1 3.98Å; Y188-F198 HydrophobicContact CE1-CE1 3.98Å; Y188-F198 HydrophobicContact CE1-CE2 4.08Å; Y188-F198 AromaticContact CE1-CG 3.63Å; Y188-F198 HydrophobicContact CE1-CG 3.63Å; Y188-F198 HydrophobicContact CE1-CZ 4.15Å; L191-F198 HydrophobicContact CD1-CD2 4.12Å; L191-F198 HydrophobicContact CD1-CE2 3.97Å; L191-F198 HydrophobicContact CD2-CD2 4.17Å; L191-F198 HydrophobicContact CD2-CE2 3.74Å; L191-F198 HydrophobicContact CG-CD2 4.46Å; L191-F198 HydrophobicContact CG-CE2 3.9Å; E196-F198 HydrophobicContact CB-CE1 4.41Å; E196-F198 HydrophobicContact CB-CE2 3.84Å; E196-F198 HydrophobicContact CB-CZ 3.71Å; E196-F198 HydrophobicContact CG-CD1 4.43Å; E196-F198 HydrophobicContact CG-CE1 3.72Å; E196-F198 HydrophobicContact CG-CE2 4.05Å; E196-F198 HydrophobicContact CG-CZ 3.5Å; E196-F198 WeakPolarHBondContact OE1-CE1 3.48Å; E196-F198 WeakPolarHBondContact OE2-CZ 3.15Å; F198-I200 PolarHBondContact O-N 3.32Å; F198-E201 HydrophobicContact CB-CG 4.06Å; F198-E201 HydrophobicContact CD1-CG 4.42Å; F198-E201 WeakPolarHBondContact CD1-OE1 3.48Å; F198-E201 WeakPolarHBondContact O-CB 3.43Å; F198-E201 WeakPolarHBondContact O-CG 3.48Å; F198-E201 PolarHBondContact O-N 2.88Å; F198-A351 VanDerWaalsContact O-CA 3.31Å; F198-A351 WeakPolarHBondContact O-CA 3.37Å; F198-A351 VanDerWaalsContact O-CB 3.27Å; F198-A351 WeakPolarHBondContact O-CB 3.46Å; F198-Q354 VanDerWaalsContact CA-OE1 3.31Å; F198-Q354 VanDerWaalsContact CB-OE1 3.26Å
199S95.4Very high94.6Very high18 Ų1850.4 Ų50.413%0.12627%0.267CS..THydrogen-bonded Turntrans-59.7-19.2-174.666.60000115.3D197 N358D197-S199 VanDerWaalsContact CG-OG 3.24Å; D197-S199 WeakPolarHBondContact OD1-CB 3.21Å; D197-S199 PolarHBondContact OD1-N 3.23Å; D197-S199 PolarHBondContact OD1-OG 3.42Å; D197-S199 PolarHBondContact OD2-OG 3.41Å; S199-N358 WeakPolarHBondContact CB-ND2 3.39Å; S199-N358 PolarHBondContact OG-ND2 3.32Å; S199-N358 VanDerWaalsContact OG-ND2 3.1Å
200I94.6Very high94.5Very high154 Ų15451.4 Ų51.479%0.7928%0.277SS*.THydrogen-bonded Turntrans-92.5-5.517862.8168.4000113.7F198F198-I200 PolarHBondContact O-N 3.32Å
201E95.6Very high94.4Very high57 Ų5754.9 Ų54.927%0.26630%0.295SS..SBendtrans-71157.6-179.1-67.8-164.9160.400112.5Y188 F198 I203 A351Y188-E201 WeakPolarHBondContact CE1-OE2 3.32Å; Y188-E201 PolarHBondContact OH-OE1 3.31Å; Y188-E201 PolarHBondContact OH-OE2 3.46Å; F198-E201 HydrophobicContact CB-CG 4.06Å; F198-E201 HydrophobicContact CD1-CG 4.42Å; F198-E201 WeakPolarHBondContact CD1-OE1 3.48Å; F198-E201 WeakPolarHBondContact O-CB 3.43Å; F198-E201 WeakPolarHBondContact O-CG 3.48Å; F198-E201 PolarHBondContact O-N 2.88Å; E201-I203 PolarHBondContact O-N 2.93Å; E201-A351 HydrophobicContact CB-CB 3.8Å
202P94.3Very high94.3Very high97 Ų9760.1 Ų60.163%0.6332%0.319SS*.  trans-62.7119.5-179.2-21.833.7000112.8
203I94.9Very high94.3Very high20 Ų2060 Ų6010%0.10332%0.318CS..  trans-98.893.6173.6-57.3155.6000109.1E201 I327 L331 F340 A351 Y352E201-I203 PolarHBondContact O-N 2.93Å; I203-I327 HydrophobicContact CB-CD1 3.6Å; I203-I327 HydrophobicContact CD1-CD1 3.65Å; I203-I327 HydrophobicContact CG1-CD1 4.24Å; I203-I327 HydrophobicContact CG2-CD1 3.71Å; I203-I327 HydrophobicContact CG2-CG1 4.3Å; I203-L331 HydrophobicContact CG2-CD1 3.94Å; I203-L331 HydrophobicContact CG2-CD2 4.22Å; I203-F340 HydrophobicContact CG2-CE1 4.47Å; I203-F340 HydrophobicContact CG2-CZ 4.21Å; I203-A351 HydrophobicContact CD1-CB 4.46Å; I203-A351 HydrophobicContact CG1-CB 3.76Å; I203-Y352 HydrophobicContact CD1-CD2 4.33Å; I203-Y352 HydrophobicContact CG2-CD2 3.84Å; I203-Y352 HydrophobicContact CG2-CG 4.3Å
204E94Very high94.2Very high70 Ų7058.1 Ų58.133%0.32731%0.311SS..  trans-155.6143.3171.956177.4-165.900113.4T206 K330E204-T206 HydrophobicContact CG-CG2 4.1Å; E204-T206 PolarHBondContact O-N 3.09Å; E204-K330 IonicContact OE2-NZ 2.64Å; E204-K330 PolarHBondContact OE2-NZ 3.15Å
205H96Very high94Very high7 Ų756.6 Ų56.63%0.03231%0.308CS..  trans-66.6126.3170.4-63.1-55.8000110.7I208 L209 K312 L331 T339 F340 E345H205-I208 HydrophobicContact CB-CD1 4.03Å; H205-I208 HydrophobicContact CB-CG1 3.97Å; H205-I208 WeakPolarHBondContact ND1-CD1 3.31Å; H205-L209 HydrophobicContact CB-CD1 3.86Å; H205-L209 HydrophobicContact CB-CD2 4.15Å; H205-L209 HydrophobicContact CB-CG 3.95Å; H205-L209 VanDerWaalsContact O-CD1 3.31Å; H205-L209 WeakPolarHBondContact O-CD1 3.41Å; H205-K312 PolarHBondContact O-NZ 3.41Å; H205-L331 PolarHBondContact CD2-O 2.74Å; H205-L331 VanDerWaalsContact CD2-O 3.31Å; H205-L331 PolarHBondContact NE2-O 3.04Å; H205-T339 PolarHBondContact CE1-O 3.29Å; H205-F340 AromaticContact CE1-CD1 3.8Å; H205-F340 AromaticContact CE1-CE1 3.88Å; H205-E345 WeakPolarHBondContact CA-OE1 3.37Å; H205-E345 IonicContact CE1-OE1 3.48Å; H205-E345 IonicContact CE1-OE2 2.69Å; H205-E345 IonicContact CG-OE1 3.87Å; H205-E345 IonicContact ND1-OE1 2.77Å; H205-E345 PolarHBondContact ND1-OE1 3.23Å; H205-E345 IonicContact ND1-OE2 3.93Å; H205-E345 PolarHBondContact ND1-OE2 2.88Å
206T92.9Very high93.7Very high59 Ų5951.8 Ų51.836%0.36227%0.274SS..  trans-123.4-87-177.654.80000110.9E204 I208 L209E204-T206 HydrophobicContact CG-CG2 4.1Å; E204-T206 PolarHBondContact O-N 3.09Å; T206-I208 VanDerWaalsContact C-N 3.27Å; T206-I208 PolarHBondContact O-N 3.19Å; T206-L209 PolarHBondContact O-N 3.41Å; T206-L209 VanDerWaalsContact O-N 3.11Å
207Y94.8Very high92.8Very high54 Ų5455 Ų5521%0.21229%0.289CS..G310 helixtrans-57.3-39.2-173.9178.8-112.2000112.5L209 T210 E212 Y213 S216 Y344Y207-L209 PolarHBondContact O-N 2.87Å; Y207-T210 WeakPolarHBondContact O-CB 3.46Å; Y207-T210 WeakPolarHBondContact O-CG2 3.1Å; Y207-T210 PolarHBondContact O-N 2.83Å; Y207-T210 PolarHBondContact O-OG1 3.36Å; Y207-E212 HydrophobicContact CE2-CB 4.22Å; Y207-E212 HydrophobicContact CE2-CG 4.06Å; Y207-Y213 AromaticContact CD1-CD2 3.99Å; Y207-Y213 HydrophobicContact CD1-CD2 3.99Å; Y207-Y213 AromaticContact CE1-CD2 3.71Å; Y207-Y213 HydrophobicContact CE1-CD2 3.71Å; Y207-Y213 HydrophobicContact CE1-CG 4.34Å; Y207-Y213 VanDerWaalsContact O-CB 3.32Å; Y207-Y213 WeakPolarHBondContact O-CB 3.39Å; Y207-S216 PolarHBondContact OH-OG 3.4Å; Y207-Y344 AromaticContact CD1-CD1 3.65Å; Y207-Y344 HydrophobicContact CD1-CD1 3.65Å; Y207-Y344 HydrophobicContact CD1-CD2 4.23Å; Y207-Y344 HydrophobicContact CD1-CE1 4.25Å; Y207-Y344 AromaticContact CD1-CG 3.64Å; Y207-Y344 HydrophobicContact CD1-CG 3.64Å; Y207-Y344 AromaticContact CE1-CD1 3.49Å; Y207-Y344 HydrophobicContact CE1-CD1 3.49Å; Y207-Y344 VanDerWaalsContact CE1-CD1 3.49Å; Y207-Y344 HydrophobicContact CE1-CD2 4.17Å; Y207-Y344 AromaticContact CE1-CE1 3.6Å; Y207-Y344 HydrophobicContact CE1-CE1 3.6Å; Y207-Y344 HydrophobicContact CE1-CE2 4.26Å; Y207-Y344 AromaticContact CE1-CG 3.8Å; Y207-Y344 HydrophobicContact CE1-CG 3.8Å; Y207-Y344 AromaticContact CE1-CZ 3.99Å
208I94.8Very high92Very high3 Ų355 Ų552%0.01528%0.282CS..G310 helixtrans-63.3-16-177.472.6162.1000113.6H205 T206 Y213 F214 S305 A308 N341 E345H205-I208 HydrophobicContact CB-CD1 4.03Å; H205-I208 HydrophobicContact CB-CG1 3.97Å; H205-I208 WeakPolarHBondContact ND1-CD1 3.31Å; T206-I208 VanDerWaalsContact C-N 3.27Å; T206-I208 PolarHBondContact O-N 3.19Å; I208-Y213 HydrophobicContact CB-CD1 4.11Å; I208-Y213 HydrophobicContact CB-CE1 3.95Å; I208-Y213 HydrophobicContact CB-CG 4.41Å; I208-Y213 HydrophobicContact CG2-CD2 4.44Å; I208-Y213 HydrophobicContact CG2-CE1 4.39Å; I208-Y213 HydrophobicContact CG2-CE2 4.14Å; I208-Y213 WeakPolarHBondContact O-CD1 3.41Å; I208-F214 WeakPolarHBondContact O-CE2 3.35Å; I208-S305 WeakPolarHBondContact O-CB 3.36Å; I208-S305 PolarHBondContact O-OG 3.19Å; I208-A308 HydrophobicContact CD1-CB 4.42Å; I208-N341 HydrophobicContact CG2-CB 4.11Å; I208-E345 WeakPolarHBondContact CD1-OE1 3.3Å; I208-E345 WeakPolarHBondContact CG1-OE1 3.38Å; I208-E345 VanDerWaalsContact CG2-CD 3.45Å; I208-E345 HydrophobicContact CG2-CG 3.8Å
209L94.8Very high91.1Very high20 Ų2059.4 Ų59.411%0.10531%0.31CS..G310 helixtrans-93-3.8-179-52.5-179000113.1H205 T206 Y207 A308 S309 K312 R530H205-L209 HydrophobicContact CB-CD1 3.86Å; H205-L209 HydrophobicContact CB-CD2 4.15Å; H205-L209 HydrophobicContact CB-CG 3.95Å; H205-L209 VanDerWaalsContact O-CD1 3.31Å; H205-L209 WeakPolarHBondContact O-CD1 3.41Å; T206-L209 PolarHBondContact O-N 3.41Å; T206-L209 VanDerWaalsContact O-N 3.11Å; Y207-L209 PolarHBondContact O-N 2.87Å; L209-A308 HydrophobicContact CD2-CB 3.94Å; L209-S309 WeakPolarHBondContact CD2-OG 3.46Å; L209-K312 HydrophobicContact CD1-CD 3.41Å; L209-K312 VanDerWaalsContact CD1-CD 3.41Å; L209-R530 PolarHBondContact O-NH1 3.25Å
210T94.4Very high90.5Very high52 Ų5262.5 Ų62.532%0.31932%0.322SS..SBendtrans-87.7156.3-17568.50000112.4Y207 E212 Y213 F214Y207-T210 WeakPolarHBondContact O-CB 3.46Å; Y207-T210 WeakPolarHBondContact O-CG2 3.1Å; Y207-T210 PolarHBondContact O-N 2.83Å; Y207-T210 PolarHBondContact O-OG1 3.36Å; T210-E212 PolarHBondContact O-N 2.94Å; T210-Y213 PolarHBondContact O-N 3.11Å; T210-Y213 PolarHBondContact OG1-N 2.79Å; T210-F214 WeakPolarHBondContact O-CD2 3.43Å
211D92.5Very high90.4Very high77 Ų7756.1 Ų56.141%0.41229%0.289SS..Hα-helixtrans-63.7-28.7172.2-67.6-25.8000112.1Y213 F214 T215 P529 R530D211-Y213 PolarHBondContact O-N 3.18Å; D211-F214 PolarHBondContact O-N 2.88Å; D211-T215 PolarHBondContact O-N 2.83Å; D211-T215 PolarHBondContact O-OG1 2.8Å; D211-P529 HydrophobicContact CB-CG 3.91Å; D211-R530 WeakPolarHBondContact OD1-CD 3.36Å; D211-R530 WeakPolarHBondContact OD1-CG 3.49Å; D211-R530 IonicContact OD1-CZ 3.42Å; D211-R530 IonicContact OD1-NE 2.77Å; D211-R530 PolarHBondContact OD1-NE 2.87Å; D211-R530 IonicContact OD1-NH2 3.19Å
212E93.7Very high90.3Very high124 Ų12458.5 Ų58.558%0.57930%0.298SS*.Hα-helixtrans-62.4-42.1178.5-172.8175.1-173.800111.6Y207 T210 F214 T215 S216Y207-E212 HydrophobicContact CE2-CB 4.22Å; Y207-E212 HydrophobicContact CE2-CG 4.06Å; T210-E212 PolarHBondContact O-N 2.94Å; E212-F214 VanDerWaalsContact C-N 3.29Å; E212-F214 PolarHBondContact O-N 2.8Å; E212-T215 WeakPolarHBondContact CA-OG1 3.38Å; E212-T215 PolarHBondContact O-N 2.95Å; E212-T215 VanDerWaalsContact O-N 3.07Å; E212-T215 PolarHBondContact O-OG1 3.39Å; E212-T215 VanDerWaalsContact O-OG1 3.07Å; E212-S216 WeakPolarHBondContact O-CB 3.38Å; E212-S216 PolarHBondContact O-N 3.23Å
213Y93.2Very high90.3Very high4 Ų457.2 Ų57.22%0.01629%0.286CS..Hα-helixtrans-59.3-38.4176.6173.2-112.1000113.2Y207 I208 T210 D211 T215 D301 Y302 N341 Y344Y207-Y213 AromaticContact CD1-CD2 3.99Å; Y207-Y213 HydrophobicContact CD1-CD2 3.99Å; Y207-Y213 AromaticContact CE1-CD2 3.71Å; Y207-Y213 HydrophobicContact CE1-CD2 3.71Å; Y207-Y213 HydrophobicContact CE1-CG 4.34Å; Y207-Y213 VanDerWaalsContact O-CB 3.32Å; Y207-Y213 WeakPolarHBondContact O-CB 3.39Å; I208-Y213 HydrophobicContact CB-CD1 4.11Å; I208-Y213 HydrophobicContact CB-CE1 3.95Å; I208-Y213 HydrophobicContact CB-CG 4.41Å; I208-Y213 HydrophobicContact CG2-CD2 4.44Å; I208-Y213 HydrophobicContact CG2-CE1 4.39Å; I208-Y213 HydrophobicContact CG2-CE2 4.14Å; I208-Y213 WeakPolarHBondContact O-CD1 3.41Å; T210-Y213 PolarHBondContact O-N 3.11Å; T210-Y213 PolarHBondContact OG1-N 2.79Å; D211-Y213 PolarHBondContact O-N 3.18Å; Y213-T215 VanDerWaalsContact C-N 3.28Å; Y213-T215 PolarHBondContact O-N 3.35Å; Y213-D301 WeakPolarHBondContact OH-CB 3.47Å; Y213-D301 PolarHBondContact OH-O 3.31Å; Y213-D301 PolarHBondContact OH-OD2 3.33Å; Y213-Y302 HydrophobicContact CD1-CD1 4.18Å; Y213-Y302 AromaticContact CD1-CE1 3.92Å; Y213-Y302 HydrophobicContact CD1-CE1 3.92Å; Y213-Y302 AromaticContact CE1-CD1 3.48Å; Y213-Y302 HydrophobicContact CE1-CD1 3.48Å; Y213-Y302 VanDerWaalsContact CE1-CD1 3.48Å; Y213-Y302 AromaticContact CE1-CE1 3.52Å; Y213-Y302 HydrophobicContact CE1-CE1 3.52Å; Y213-Y302 HydrophobicContact CE2-CE1 4.47Å; Y213-Y302 AromaticContact CZ-CD1 3.97Å; Y213-Y302 AromaticContact CZ-CE1 3.83Å; Y213-Y302 PolarHBondContact O-OH 3.3Å; Y213-N341 PolarHBondContact OH-ND2 2.64Å; Y213-Y344 HydrophobicContact CD2-CD2 4Å; Y213-Y344 AromaticContact CD2-CE2 3.96Å; Y213-Y344 HydrophobicContact CD2-CE2 3.96Å; Y213-Y344 AromaticContact CE2-CD2 3.61Å; Y213-Y344 HydrophobicContact CE2-CD2 3.61Å; Y213-Y344 AromaticContact CE2-CE2 3.64Å; Y213-Y344 HydrophobicContact CE2-CE2 3.64Å
214F91.1Very high90.1Very high3 Ų357.4 Ų57.41%0.01329%0.288CS..Hα-helixtrans-79.4-9.6179.1-71.8-102.5000113.5I208 T210 D211 E212 Y295 V296 Y302 S305 P529 R530I208-F214 WeakPolarHBondContact O-CE2 3.35Å; T210-F214 WeakPolarHBondContact O-CD2 3.43Å; D211-F214 PolarHBondContact O-N 2.88Å; E212-F214 VanDerWaalsContact C-N 3.29Å; E212-F214 PolarHBondContact O-N 2.8Å; F214-Y295 HydrophobicContact CD1-CE2 4.42Å; F214-V296 HydrophobicContact CD1-CG1 4.16Å; F214-V296 HydrophobicContact CE1-CB 4.37Å; F214-V296 HydrophobicContact CE1-CG1 4.12Å; F214-Y302 HydrophobicContact CD1-CD1 4.03Å; F214-Y302 HydrophobicContact CD1-CD2 4.29Å; F214-Y302 HydrophobicContact CD1-CE1 4.19Å; F214-Y302 HydrophobicContact CD1-CE2 4.43Å; F214-Y302 HydrophobicContact CD1-CG 4.07Å; F214-Y302 AromaticContact CE1-CD1 3.95Å; F214-Y302 HydrophobicContact CE1-CD1 3.95Å; F214-Y302 HydrophobicContact CE1-CD2 4.49Å; F214-Y302 AromaticContact CE1-CG 3.91Å; F214-Y302 HydrophobicContact CE1-CG 3.91Å; F214-Y302 HydrophobicContact CG-CE1 4.43Å; F214-Y302 HydrophobicContact CZ-CD1 4.47Å; F214-S305 WeakPolarHBondContact CE2-OG 3.4Å; F214-S305 VanDerWaalsContact CZ-OG 3.31Å; F214-S305 WeakPolarHBondContact CZ-OG 3.46Å; F214-P529 HydrophobicContact CB-CB 3.92Å; F214-P529 HydrophobicContact CB-CG 4Å; F214-R530 HydrophobicContact CB-CG 4.35Å; F214-R530 HydrophobicContact CD1-CG 4.33Å; F214-R530 HydrophobicContact CD2-CG 3.48Å; F214-R530 VanDerWaalsContact CD2-CG 3.48Å; F214-R530 HydrophobicContact CE2-CG 3.67Å; F214-R530 HydrophobicContact CG-CG 3.81Å; F214-R530 HydrophobicContact CZ-CG 4.19Å
215T89.4Confident89.9Confident58 Ų5858.4 Ų58.436%0.35630%0.295SS..Hα-helixtrans-109.1-32.2179.948.80000113.4D211 E212 Y213 Q220 P529D211-T215 PolarHBondContact O-N 2.83Å; D211-T215 PolarHBondContact O-OG1 2.8Å; E212-T215 WeakPolarHBondContact CA-OG1 3.38Å; E212-T215 PolarHBondContact O-N 2.95Å; E212-T215 VanDerWaalsContact O-N 3.07Å; E212-T215 PolarHBondContact O-OG1 3.39Å; E212-T215 VanDerWaalsContact O-OG1 3.07Å; Y213-T215 VanDerWaalsContact C-N 3.28Å; Y213-T215 PolarHBondContact O-N 3.35Å; T215-Q220 PolarHBondContact O-NE2 2.96Å; T215-P529 HydrophobicContact CG2-CB 3.66Å; T215-P529 HydrophobicContact CG2-CG 3.67Å
216S84Confident89Confident23 Ų2363.9 Ų63.916%0.16133%0.333CS..THydrogen-bonded Turntrans-62.5137.6-17979.30000111.6Y207 E212 R218Y207-S216 PolarHBondContact OH-OG 3.4Å; E212-S216 WeakPolarHBondContact O-CB 3.38Å; E212-S216 PolarHBondContact O-N 3.23Å; S216-R218 PolarHBondContact O-N 2.85Å
217H75.9Confident87.8Confident158 Ų15863 Ų6373%0.73133%0.325SS*.THydrogen-bonded Turntrans57.519.7173.8-47.989.9000115.9
218R79.1Confident86.8Confident89 Ų8967.8 Ų67.834%0.33635%0.352SS..SBendtrans-124.4149177.5-58.8-58.6-175.7-1421.9112S216 Q220 D301 Y302S216-R218 PolarHBondContact O-N 2.85Å; R218-Q220 PolarHBondContact O-N 3.03Å; R218-D301 IonicContact NH2-OD2 2.85Å; R218-D301 PolarHBondContact NH2-OD2 3.12Å; R218-D301 VanDerWaalsContact NH2-OD2 3.1Å; R218-Y302 HydrophobicContact CG-CE2 4.49Å; R218-Y302 WeakPolarHBondContact CG-OH 3.39Å; R218-Y302 PolarHBondContact NE-OH 3.11Å
219V78.3Confident86.3Confident101 Ų10173.7 Ų73.761%0.61238%0.384SS*.  trans-77.3115.4172.3-1770000108.4K274V219-K274 HydrophobicContact CB-CD 4.46Å; V219-K274 HydrophobicContact CG1-CD 3.77Å
220Q82.4Confident86Confident83 Ų8376 Ų7639%0.38839%0.394SS..PPolyproline II helixtrans-71.9140.2-180-61.1-56.4-51.400111.6T215 R218T215-Q220 PolarHBondContact O-NE2 2.96Å; R218-Q220 PolarHBondContact O-N 3.03Å
221E92.2Very high85.8Confident19 Ų1973.7 Ų73.79%0.08938%0.38CS..PPolyproline II helixtrans-79.7145.6170.5-61.9169.2179.800109.8H272 K274 F276 P292 G293 Y295E221-H272 IonicContact OE1-CE1 3.78Å; E221-H272 PolarHBondContact OE1-CE1 3.45Å; E221-H272 IonicContact OE1-NE2 2.83Å; E221-H272 PolarHBondContact OE1-NE2 3.41Å; E221-K274 CarbonylContact C-O 3.57Å; E221-K274 WeakPolarHBondContact CA-O 3.47Å; E221-F276 HydrophobicContact CB-CD2 4.43Å; E221-F276 HydrophobicContact CB-CE2 4.45Å; E221-F276 HydrophobicContact CG-CE2 4.35Å; E221-P292 WeakPolarHBondContact OE2-CA 3.49Å; E221-P292 WeakPolarHBondContact OE2-CB 3.28Å; E221-G293 PolarHBondContact OE2-N 3.2Å; E221-Y295 WeakPolarHBondContact OE1-CD1 3.31Å
222K93.6Very high85.6Confident108 Ų10874.9 Ų74.947%0.4739%0.385SS..BIsolated β-bridgetrans-87.4116166.5-60.8-176.1-165.8159.40108.5K274 D275 F276 E277K222-K274 PolarHBondContact N-O 2.9Å; K222-D275 IonicContact NZ-OD1 3.08Å; K222-D275 IonicContact NZ-OD2 2.92Å; K222-D275 PolarHBondContact NZ-OD2 2.78Å; K222-F276 WeakPolarHBondContact O-CA 3.42Å; K222-F276 VanDerWaalsContact O-CB 3.3Å; K222-F276 WeakPolarHBondContact O-CB 3.44Å; K222-F276 PolarHBondContact O-N 3.19Å; K222-E277 HydrophobicContact CB-CB 3.86Å; K222-E277 PolarHBondContact O-N 2.74Å; K222-E277 VanDerWaalsContact O-N 3.14Å
223L93.6Very high85.3Confident69 Ų6975.1 Ų75.136%0.36138%0.384SS..PPolyproline II helixtrans-68.8148.6-177.6-59.5-177.9000111.5E277 P292 I533L223-E277 WeakPolarHBondContact O-CA 3.4Å; L223-E277 VanDerWaalsContact O-CB 3.29Å; L223-E277 WeakPolarHBondContact O-CB 3.39Å; L223-E277 PolarHBondContact O-N 2.89Å; L223-P292 HydrophobicContact CD2-CB 3.87Å; L223-I533 HydrophobicContact CD2-CG1 4.06Å
224P92.4Very high85.2Confident24 Ų2479.9 Ų79.916%0.15640%0.402CS..PPolyproline II helixtrans-64.6150.6179.329-34.8000111.6F276 P292 N535P224-F276 HydrophobicContact CB-CB 4.13Å; P224-F276 HydrophobicContact CG-CB 4.32Å; P224-P292 HydrophobicContact CG-CG 4.38Å; P224-N535 HydrophobicContact CG-CB 4.12Å
225I90Very high85.2Confident91 Ų9186 Ų8647%0.46743%0.431SS..PPolyproline II helixtrans-63.6139.6165.1-60.3-173.5000107.8Q227 E277 S280 I281I225-Q227 PolarHBondContact O-N 2.83Å; I225-E277 HydrophobicContact CG1-CG 4.25Å; I225-S280 PolarHBondContact N-OG 2.73Å; I225-I281 HydrophobicContact CD1-CD1 3.7Å; I225-I281 HydrophobicContact CD1-CG1 3.54Å; I225-I281 HydrophobicContact CG1-CG1 4.31Å
226C75.2Confident85.6Confident123 Ų12389.6 Ų89.683%0.83144%0.439SS*.  trans-57.2106-178.3-167.40000111.1
227Q69.3Low86.2Confident41 Ų4188.7 Ų88.719%0.19243%0.432CS..  trans-105132.4174.9-72-176.9-4.800109.7I225 S280 V536I225-Q227 PolarHBondContact O-N 2.83Å; Q227-S280 VanDerWaalsContact NE2-CA 3.33Å; Q227-S280 PolarHBondContact NE2-O 3.08Å; Q227-V536 HydrophobicContact CB-CG2 3.66Å
228I73.1Confident87.3Confident154 Ų15483 Ų8379%0.7941%0.408SS*.  trans-87.1-34.7-178.7-60.3171.5000111.1
229N84.3Confident88.2Confident127 Ų12778.7 Ų78.768%0.67939%0.392SS*.SBendtrans-101.7135.4-171.4-62.9-34.1000110.8V536N229-V536 WeakPolarHBondContact O-CG2 3.37Å
230E88.4Confident89.1Confident69 Ų6976.4 Ų76.432%0.32237%0.373SS..PPolyproline II helixtrans-59.8153.6166.8-63.7-170.614900110.6R439 V536 R539E230-R439 IonicContact OE1-NH1 3.69Å; E230-R439 IonicContact OE2-NH2 2.74Å; E230-V536 HydrophobicContact CG-CB 4.39Å; E230-R539 VanDerWaalsContact CD-NH2 3.34Å; E230-R539 IonicContact OE1-CZ 2.65Å; E230-R539 IonicContact OE1-NH2 3.63Å; E230-R539 PolarHBondContact OE1-NH2 3.43Å; E230-R539 IonicContact OE2-NH2 3.85Å
231P90.3Very high89.9Confident2 Ų272.6 Ų72.61%0.01336%0.355CS..PPolyproline II helixtrans-47.4143.6168.4-30.936.6000112.7K233 Y287 V536 Q537P231-K233 PolarHBondContact O-N 3.35Å; P231-Y287 HydrophobicContact CB-CD1 4.31Å; P231-Y287 HydrophobicContact CB-CD2 4.08Å; P231-Y287 HydrophobicContact CB-CE1 3.91Å; P231-Y287 HydrophobicContact CB-CE2 3.68Å; P231-Y287 HydrophobicContact CB-CG 4.38Å; P231-Y287 HydrophobicContact CG-CD1 3.75Å; P231-Y287 HydrophobicContact CG-CD2 4.34Å; P231-Y287 HydrophobicContact CG-CE1 3.55Å; P231-Y287 HydrophobicContact CG-CE2 4.19Å; P231-Y287 HydrophobicContact CG-CG 4.13Å; P231-Y287 PolarHBondContact O-OH 3.17Å; P231-V536 WeakPolarHBondContact CD-O 3.4Å; P231-Q537 HydrophobicContact CG-CB 4.45Å; P231-Q537 HydrophobicContact CG-CG 4.08Å
232I88.5Confident89.9Confident102 Ų10274.2 Ų74.252%0.52337%0.365SS..PPolyproline II helixtrans-57.1124.5-178.7-66.2161.9000110.1R234 N285I232-R234 WeakPolarHBondContact O-CG 3.27Å; I232-N285 WeakPolarHBondContact CD1-OD1 3.43Å; I232-N285 VanDerWaalsContact CG1-OD1 3.25Å; I232-N285 WeakPolarHBondContact CG1-OD1 3.38Å; I232-N285 PolarHBondContact N-OD1 2.72Å
233K87.2Confident89.9Confident130 Ų13071 Ų7157%0.56535%0.352SS*.PPolyproline II helixtrans-62.2141.8172.7-69.6-172.9173-171.20111.1P231 D597P231-K233 PolarHBondContact O-N 3.35Å; K233-D597 WeakPolarHBondContact CE-OD2 3.33Å; K233-D597 IonicContact NZ-OD2 2.87Å; K233-D597 PolarHBondContact NZ-OD2 3.1Å
234R91.5Very high89.9Confident104 Ų10473.6 Ų73.639%0.39237%0.366SS..  trans-131.9155-177.9-54.6-174.7179.9-158.111110.6I232 Y236 F237 D265I232-R234 WeakPolarHBondContact O-CG 3.27Å; R234-Y236 WeakPolarHBondContact CB-O 3.31Å; R234-F237 HydrophobicContact CB-CD2 4.3Å; R234-F237 HydrophobicContact CB-CE1 4.2Å; R234-F237 HydrophobicContact CB-CE2 3.97Å; R234-F237 HydrophobicContact CB-CZ 3.94Å; R234-F237 HydrophobicContact CG-CE1 4.25Å; R234-F237 HydrophobicContact CG-CZ 4.34Å; R234-F237 VanDerWaalsContact O-CE2 3.25Å; R234-F237 WeakPolarHBondContact O-CE2 3.14Å; R234-D265 VanDerWaalsContact CZ-CG 3.45Å; R234-D265 IonicContact CZ-OD1 3.29Å; R234-D265 IonicContact CZ-OD2 2.8Å; R234-D265 IonicContact NE-OD1 2.86Å; R234-D265 IonicContact NH1-OD1 2.99Å; R234-D265 PolarHBondContact NH1-OD1 3.21Å; R234-D265 IonicContact NH1-OD2 3.98Å; R234-D265 PolarHBondContact NH1-OD2 3.1Å; R234-D265 IonicContact NH2-OD1 2.99Å; R234-D265 PolarHBondContact NH2-OD1 2.99Å
235E91.8Very high89.9Confident130 Ų13075.1 Ų75.161%0.60737%0.371SS*.SBendtrans-75.6-31.5169.3-166.1-175.1154.400111Q254E235-Q254 PolarHBondContact O-NE2 3.3Å
236Y96.3Very high90.1Very high134 Ų13470.8 Ų70.853%0.52535%0.349SS..SBendtrans-130.8138.8177.1-56.5-92.5000109.6R234 Q254R234-Y236 WeakPolarHBondContact CB-O 3.31Å; Y236-Q254 CarbonylContact C-O 3.57Å; Y236-Q254 WeakPolarHBondContact CA-O 3.4Å; Y236-Q254 HydrophobicContact CE1-CG 4.5Å
237F97.8Very high91.1Very high4 Ų469.9 Ų69.92%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-117.4134.7179.1-74.7-91.2000110.7R234 Q254 F255 T256 D265 I266 Y287 L596R234-F237 HydrophobicContact CB-CD2 4.3Å; R234-F237 HydrophobicContact CB-CE1 4.2Å; R234-F237 HydrophobicContact CB-CE2 3.97Å; R234-F237 HydrophobicContact CB-CZ 3.94Å; R234-F237 HydrophobicContact CG-CE1 4.25Å; R234-F237 HydrophobicContact CG-CZ 4.34Å; R234-F237 VanDerWaalsContact O-CE2 3.25Å; R234-F237 WeakPolarHBondContact O-CE2 3.14Å; F237-Q254 PolarHBondContact N-O 3.37Å; F237-F255 HydrophobicContact CB-CD1 3.8Å; F237-F255 HydrophobicContact CB-CE1 4.04Å; F237-F255 HydrophobicContact CD2-CE1 4.24Å; F237-F255 HydrophobicContact CG-CE1 4.38Å; F237-F255 WeakPolarHBondContact O-CA 3.32Å; F237-T256 PolarHBondContact O-N 3.39Å; F237-D265 HydrophobicContact CB-CB 4.46Å; F237-D265 HydrophobicContact CD1-CB 3.72Å; F237-I266 HydrophobicContact CB-CD1 3.77Å; F237-I266 HydrophobicContact CB-CG1 4.38Å; F237-I266 HydrophobicContact CD1-CD1 3.81Å; F237-I266 HydrophobicContact CD1-CG1 3.9Å; F237-I266 HydrophobicContact CG-CD1 3.86Å; F237-I266 HydrophobicContact CG-CG1 4.41Å; F237-Y287 HydrophobicContact CE1-CD2 4.16Å; F237-Y287 AromaticContact CE1-CE2 3.93Å; F237-Y287 HydrophobicContact CE1-CE2 3.93Å; F237-Y287 HydrophobicContact CZ-CE2 4.41Å; F237-L596 HydrophobicContact CD2-CD2 3.83Å; F237-L596 HydrophobicContact CE2-CD2 3.7Å
238T97.9Very high92.3Very high38 Ų3873.9 Ų73.923%0.23335%0.35CS..EExtended strand (participates in β ladder)trans-86.3135.3165.554.80000110.5T256 V258 K263 D265 I266T238-T256 CarbonylContact C-O 3.6Å; T238-T256 VanDerWaalsContact CA-O 3.24Å; T238-T256 WeakPolarHBondContact CA-O 3.37Å; T238-V258 HydrophobicContact CG2-CG1 3.96Å; T238-K263 PolarHBondContact OG1-O 3.11Å; T238-D265 PolarHBondContact N-OD2 2.93Å; T238-D265 WeakPolarHBondContact O-CA 3.09Å; T238-D265 PolarHBondContact O-N 3.41Å; T238-D265 PolarHBondContact OG1-N 3.47Å; T238-D265 PolarHBondContact OG1-OD2 2.81Å; T238-I266 PolarHBondContact O-N 3.1Å
239V98.4Very high93.5Very high0 Ų068.7 Ų68.70%032%0.321CS..EExtended strand (participates in β ladder)trans-122.6127.5-173.5-174.80000110.2L250 F255 T256 F257 V258 I266 F591V239-L250 HydrophobicContact CG1-CD2 4.37Å; V239-L250 HydrophobicContact CG2-CD2 4.2Å; V239-F255 HydrophobicContact CG2-CB 4.05Å; V239-F255 HydrophobicContact CG2-CD1 3.94Å; V239-F255 HydrophobicContact CG2-CG 4.42Å; V239-T256 PolarHBondContact N-O 3.14Å; V239-F257 HydrophobicContact CB-CD1 4.12Å; V239-F257 HydrophobicContact CB-CE1 4.27Å; V239-F257 HydrophobicContact CG1-CD1 4.31Å; V239-F257 HydrophobicContact CG1-CE1 4.14Å; V239-F257 CarbonylContact O-C 3.53Å; V239-F257 VanDerWaalsContact O-CA 3.28Å; V239-F257 WeakPolarHBondContact O-CA 3.35Å; V239-V258 PolarHBondContact O-N 2.77Å; V239-I266 WeakPolarHBondContact CA-O 3.48Å; V239-I266 HydrophobicContact CG2-CB 4.3Å; V239-I266 HydrophobicContact CG2-CD1 4.27Å; V239-F591 HydrophobicContact CG1-CE1 3.94Å; V239-F591 HydrophobicContact CG1-CZ 4.4Å; V239-F591 HydrophobicContact CG2-CE1 4.14Å
240Y98.1Very high94.1Very high52 Ų5262.9 Ų62.920%0.20429%0.29CS..EExtended strand (participates in β ladder)trans-102.3135.6164.2172-93.1000109.5P261 I266 I267 W268 M269Y240-P261 HydrophobicContact CD1-CB 4.17Å; Y240-P261 HydrophobicContact CD1-CG 3.72Å; Y240-P261 HydrophobicContact CD2-CG 4.27Å; Y240-P261 HydrophobicContact CE1-CG 3.61Å; Y240-P261 HydrophobicContact CE2-CG 4.15Å; Y240-P261 HydrophobicContact CG-CB 4.38Å; Y240-P261 HydrophobicContact CG-CG 4.05Å; Y240-I266 PolarHBondContact N-O 2.96Å; Y240-I267 HydrophobicContact CD1-CG2 4.34Å; Y240-W268 PolarHBondContact O-N 3.22Å; Y240-M269 HydrophobicContact CD1-CG 4.09Å; Y240-M269 HydrophobicContact CD1-SD 4.12Å; Y240-M269 HydrophobicContact CE1-CG 3.82Å; Y240-M269 HydrophobicContact CE1-SD 3.62Å
241T97.2Very high94.5Very high3 Ų364.3 Ų64.32%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-150.3142.3172.9-171.50000113.3L243 V246 K247 F257 W268T241-L243 PolarHBondContact OG1-N 3.08Å; T241-L243 VanDerWaalsContact OG1-N 3.16Å; T241-V246 HydrophobicContact CG2-CB 3.98Å; T241-V246 HydrophobicContact CG2-CG1 3.97Å; T241-K247 HydrophobicContact CG2-CD 4.44Å; T241-K247 HydrophobicContact CG2-CG 3.64Å; T241-K247 WeakPolarHBondContact O-CE 3.38Å; T241-K247 PolarHBondContact O-NZ 3.15Å; T241-F257 HydrophobicContact CG2-CD1 4.19Å; T241-F257 HydrophobicContact CG2-CE1 3.83Å; T241-W268 WeakPolarHBondContact CA-O 3.45Å; T241-W268 WeakPolarHBondContact CB-O 3.34Å; T241-W268 PolarHBondContact OG1-O 3.25Å
242D94.1Very high94.7Very high54 Ų5466.4 Ų66.429%0.28931%0.313SS..SBendtrans-89.1-5.3170.6621.1000112.6M269 Y270 T271D242-M269 VanDerWaalsContact OD1-CA 3.25Å; D242-M269 WeakPolarHBondContact OD1-CA 3.49Å; D242-Y270 PolarHBondContact OD1-N 2.67Å; D242-Y270 PolarHBondContact OD2-N 3.46Å; D242-T271 PolarHBondContact OD2-N 3.39Å; D242-T271 PolarHBondContact OD2-OG1 2.71Å
243L93.1Very high95.1Very high40 Ų4066.1 Ų66.121%0.20932%0.32CS..  trans-94.4117.1-178.4-73.7169.8000112.1T241 Q245 V246 K247 Y270T241-L243 PolarHBondContact OG1-N 3.08Å; T241-L243 VanDerWaalsContact OG1-N 3.16Å; L243-Q245 VanDerWaalsContact C-N 3.28Å; L243-Q245 PolarHBondContact O-N 3.26Å; L243-V246 HydrophobicContact CB-CB 4.23Å; L243-V246 HydrophobicContact CB-CG2 3.75Å; L243-V246 HydrophobicContact CD1-CG2 4.1Å; L243-V246 PolarHBondContact O-N 3.42Å; L243-K247 PolarHBondContact O-N 2.93Å; L243-Y270 HydrophobicContact CD2-CD2 4.17Å; L243-Y270 HydrophobicContact CD2-CG 4.24Å
244N92.5Very high95.6Very high123 Ų12362.1 Ų62.166%0.65830%0.303SS*.Hα-helixtrans-61.5-34.8176.1-72.6-21.8000113V246 K247 Q248N244-V246 VanDerWaalsContact C-N 3.31Å; N244-V246 PolarHBondContact O-N 3.45Å; N244-K247 WeakPolarHBondContact O-CB 3.29Å; N244-K247 PolarHBondContact O-N 3.44Å; N244-Q248 PolarHBondContact O-N 3.34Å
245Q92.3Very high95.9Very high56 Ų5657.8 Ų57.826%0.26229%0.287SS..Hα-helixtrans-61-41.2177.1-69.3-178.1-3.300111.4L243 Q248 Y249 F587L243-Q245 VanDerWaalsContact C-N 3.28Å; L243-Q245 PolarHBondContact O-N 3.26Å; Q245-Q248 PolarHBondContact O-N 3.03Å; Q245-Y249 WeakPolarHBondContact O-CD2 3.03Å; Q245-Y249 PolarHBondContact O-N 3.46Å; Q245-F587 HydrophobicContact CB-CE2 4.22Å
246V95.3Very high96.2Very high0 Ų055.6 Ų55.60%028%0.283CS..Hα-helixtrans-64.6-44.4176.3-179.10000110.1T241 L243 N244 Q248 Y249 L250 F257 F587 F591T241-V246 HydrophobicContact CG2-CB 3.98Å; T241-V246 HydrophobicContact CG2-CG1 3.97Å; L243-V246 HydrophobicContact CB-CB 4.23Å; L243-V246 HydrophobicContact CB-CG2 3.75Å; L243-V246 HydrophobicContact CD1-CG2 4.1Å; L243-V246 PolarHBondContact O-N 3.42Å; N244-V246 VanDerWaalsContact C-N 3.31Å; N244-V246 PolarHBondContact O-N 3.45Å; V246-Q248 PolarHBondContact O-N 2.9Å; V246-Y249 PolarHBondContact O-N 3.18Å; V246-L250 HydrophobicContact CG1-CB 4.2Å; V246-L250 HydrophobicContact CG1-CD2 4.25Å; V246-L250 VanDerWaalsContact O-CB 3.25Å; V246-L250 WeakPolarHBondContact O-CB 3.36Å; V246-L250 PolarHBondContact O-N 3.47Å; V246-F257 HydrophobicContact CG1-CE1 4.38Å; V246-F587 HydrophobicContact CG2-CD1 4.2Å; V246-F587 HydrophobicContact CG2-CE1 3.71Å; V246-F587 HydrophobicContact CG2-CE2 4.09Å; V246-F587 HydrophobicContact CG2-CZ 3.65Å; V246-F591 HydrophobicContact CG1-CE2 4.33Å; V246-F591 HydrophobicContact CG1-CZ 4.09Å
247K95.1Very high96.3Very high104 Ų10452.7 Ų52.745%0.45227%0.273SS..Hα-helixtrans-57.7-36.2176.8-66.7180-178.4172.50113.4T241 L243 N244 F257T241-K247 HydrophobicContact CG2-CD 4.44Å; T241-K247 HydrophobicContact CG2-CG 3.64Å; T241-K247 WeakPolarHBondContact O-CE 3.38Å; T241-K247 PolarHBondContact O-NZ 3.15Å; L243-K247 PolarHBondContact O-N 2.93Å; N244-K247 WeakPolarHBondContact O-CB 3.29Å; N244-K247 PolarHBondContact O-N 3.44Å; K247-F257 HydrophobicContact CB-CZ 4.46Å; K247-F257 HydrophobicContact CG-CE1 4.31Å; K247-F257 HydrophobicContact CG-CZ 4.48Å
248Q95.6Very high96.3Very high126 Ų12654 Ų5459%0.58928%0.281SS*.Hα-helixtrans-80.3-36-177.2-177.5178.5-13.800113N244 Q245 V246N244-Q248 PolarHBondContact O-N 3.34Å; Q245-Q248 PolarHBondContact O-N 3.03Å; V246-Q248 PolarHBondContact O-N 2.9Å
249Y96.8Very high96.2Very high45 Ų4559.9 Ų59.918%0.17631%0.311CS..Hα-helixtrans-113-13-167.4-73.1-86.5000115.1Q245 V246 T251 C580 P584 N588Q245-Y249 WeakPolarHBondContact O-CD2 3.03Å; Q245-Y249 PolarHBondContact O-N 3.46Å; V246-Y249 PolarHBondContact O-N 3.18Å; Y249-T251 VanDerWaalsContact C-N 3.35Å; Y249-T251 PolarHBondContact O-N 2.79Å; Y249-T251 VanDerWaalsContact O-N 3.14Å; Y249-C580 HydrophobicContact CD1-CB 3.76Å; Y249-C580 HydrophobicContact CD2-CB 3.58Å; Y249-C580 HydrophobicContact CE1-CB 3.74Å; Y249-C580 WeakPolarHBondContact CE1-O 3.49Å; Y249-C580 HydrophobicContact CE2-CB 3.58Å; Y249-C580 HydrophobicContact CG-CB 3.67Å; Y249-P584 HydrophobicContact CD1-CB 4.38Å; Y249-P584 HydrophobicContact CE1-CB 4.4Å; Y249-N588 PolarHBondContact O-OD1 3.29Å
250L97.5Very high96Very high5 Ų561.2 Ų61.23%0.02632%0.32CS..  trans-82.885.2166.4-178.967.6000108.9V239 V246 F255 F257 F587 N588 F591V239-L250 HydrophobicContact CG1-CD2 4.37Å; V239-L250 HydrophobicContact CG2-CD2 4.2Å; V246-L250 HydrophobicContact CG1-CB 4.2Å; V246-L250 HydrophobicContact CG1-CD2 4.25Å; V246-L250 VanDerWaalsContact O-CB 3.25Å; V246-L250 WeakPolarHBondContact O-CB 3.36Å; V246-L250 PolarHBondContact O-N 3.47Å; L250-F255 HydrophobicContact CD1-CB 4.44Å; L250-F255 HydrophobicContact CD1-CD2 3.85Å; L250-F255 HydrophobicContact CD1-CE2 4.35Å; L250-F255 HydrophobicContact CD1-CG 4.19Å; L250-F255 HydrophobicContact CD2-CB 3.99Å; L250-F255 HydrophobicContact CD2-CG 4.25Å; L250-F255 HydrophobicContact CG-CB 4.15Å; L250-F255 HydrophobicContact CG-CD2 4.46Å; L250-F255 HydrophobicContact CG-CG 4.4Å; L250-F257 HydrophobicContact CB-CZ 4.02Å; L250-F257 HydrophobicContact CD2-CE1 4.24Å; L250-F257 HydrophobicContact CD2-CZ 4.09Å; L250-F257 HydrophobicContact CG-CZ 4.39Å; L250-F587 HydrophobicContact CB-CB 4.2Å; L250-N588 WeakPolarHBondContact CA-OD1 3.31Å; L250-F591 HydrophobicContact CD1-CB 3.7Å; L250-F591 HydrophobicContact CD1-CD1 3.92Å; L250-F591 HydrophobicContact CD1-CD2 3.95Å; L250-F591 HydrophobicContact CD1-CG 3.58Å; L250-F591 HydrophobicContact CD2-CD1 3.54Å; L250-F591 HydrophobicContact CD2-CD2 4.31Å; L250-F591 HydrophobicContact CD2-CE1 3.44Å; L250-F591 VanDerWaalsContact CD2-CE1 3.44Å; L250-F591 HydrophobicContact CD2-CE2 4.22Å; L250-F591 HydrophobicContact CD2-CG 4Å; L250-F591 HydrophobicContact CD2-CZ 3.79Å; L250-F591 HydrophobicContact CG-CD1 4.4Å; L250-F591 HydrophobicContact CG-CG 4.44Å
251T96.5Very high95.8Very high99 Ų9960.7 Ų60.761%0.60732%0.323SS*.  trans-1050.1-175.561.60000113.3Y249 S253 N588Y249-T251 VanDerWaalsContact C-N 3.35Å; Y249-T251 PolarHBondContact O-N 2.79Å; Y249-T251 VanDerWaalsContact O-N 3.14Å; T251-S253 PolarHBondContact O-N 3.3Å; T251-N588 PolarHBondContact N-OD1 3.5Å; T251-N588 PolarHBondContact OG1-ND2 3.31Å; T251-N588 VanDerWaalsContact OG1-ND2 3.08Å
252H96.1Very high95.6Very high45 Ų4566.9 Ų66.921%0.20836%0.356CS..  trans-66.7130.7-177.3-174.8-68.4000111.3Q254 F255 N588H252-Q254 PolarHBondContact CE1-OE1 2.86Å; H252-Q254 VanDerWaalsContact CE1-OE1 3.26Å; H252-Q254 PolarHBondContact ND1-N 2.98Å; H252-Q254 PolarHBondContact O-N 3.35Å; H252-F255 HydrophobicContact CB-CD2 3.87Å; H252-F255 HydrophobicContact CB-CE2 4.21Å; H252-F255 AromaticContact ND1-CD2 3.89Å; H252-F255 AromaticContact ND1-CE2 3.87Å; H252-F255 PolarHBondContact O-N 2.79Å; H252-N588 HydrophobicContact CB-CB 4.06Å; H252-N588 WeakPolarHBondContact CB-OD1 3.47Å; H252-N588 PolarHBondContact N-OD1 3.21Å
253S96.4Very high95.7Very high96 Ų9671.2 Ų71.267%0.67137%0.373SS*.THydrogen-bonded Turntrans-61.9-22.3-167.656.10000115.5T251 F255T251-S253 PolarHBondContact O-N 3.3Å; S253-F255 PolarHBondContact O-N 2.95Å
254Q97.2Very high95.9Very high46 Ų4669.4 Ų69.422%0.21536%0.363CS..THydrogen-bonded Turntrans-76.3-4.8175.8-66.2-177.4-99.600113.9E235 Y236 F237 H252 L596E235-Q254 PolarHBondContact O-NE2 3.3Å; Y236-Q254 CarbonylContact C-O 3.57Å; Y236-Q254 WeakPolarHBondContact CA-O 3.4Å; Y236-Q254 HydrophobicContact CE1-CG 4.5Å; F237-Q254 PolarHBondContact N-O 3.37Å; H252-Q254 PolarHBondContact CE1-OE1 2.86Å; H252-Q254 VanDerWaalsContact CE1-OE1 3.26Å; H252-Q254 PolarHBondContact ND1-N 2.98Å; H252-Q254 PolarHBondContact O-N 3.35Å; Q254-L596 HydrophobicContact CB-CD1 4.23Å
255F97.8Very high96.1Very high13 Ų1364.2 Ų64.26%0.05734%0.336CS..EExtended strand (participates in β ladder)trans-117.2132178.1-56.2-79000110.7F237 V239 L250 H252 S253 I266 F591 F595 L596F237-F255 HydrophobicContact CB-CD1 3.8Å; F237-F255 HydrophobicContact CB-CE1 4.04Å; F237-F255 HydrophobicContact CD2-CE1 4.24Å; F237-F255 HydrophobicContact CG-CE1 4.38Å; F237-F255 WeakPolarHBondContact O-CA 3.32Å; V239-F255 HydrophobicContact CG2-CB 4.05Å; V239-F255 HydrophobicContact CG2-CD1 3.94Å; V239-F255 HydrophobicContact CG2-CG 4.42Å; L250-F255 HydrophobicContact CD1-CB 4.44Å; L250-F255 HydrophobicContact CD1-CD2 3.85Å; L250-F255 HydrophobicContact CD1-CE2 4.35Å; L250-F255 HydrophobicContact CD1-CG 4.19Å; L250-F255 HydrophobicContact CD2-CB 3.99Å; L250-F255 HydrophobicContact CD2-CG 4.25Å; L250-F255 HydrophobicContact CG-CB 4.15Å; L250-F255 HydrophobicContact CG-CD2 4.46Å; L250-F255 HydrophobicContact CG-CG 4.4Å; H252-F255 HydrophobicContact CB-CD2 3.87Å; H252-F255 HydrophobicContact CB-CE2 4.21Å; H252-F255 AromaticContact ND1-CD2 3.89Å; H252-F255 AromaticContact ND1-CE2 3.87Å; H252-F255 PolarHBondContact O-N 2.79Å; S253-F255 PolarHBondContact O-N 2.95Å; F255-I266 HydrophobicContact CD1-CD1 4.17Å; F255-I266 HydrophobicContact CE1-CD1 3.92Å; F255-F591 AromaticContact CD1-CD1 3.97Å; F255-F591 HydrophobicContact CD1-CD1 3.97Å; F255-F591 HydrophobicContact CD2-CB 4.44Å; F255-F591 HydrophobicContact CE1-CB 4.08Å; F255-F591 AromaticContact CE1-CD1 3.9Å; F255-F591 HydrophobicContact CE1-CD1 3.9Å; F255-F591 HydrophobicContact CE2-CB 3.8Å; F255-F591 HydrophobicContact CG-CD1 4.44Å; F255-F591 HydrophobicContact CZ-CB 3.59Å; F255-F591 HydrophobicContact CZ-CD1 4.29Å; F255-F591 HydrophobicContact CZ-CG 4.47Å; F255-F595 HydrophobicContact CE1-CB 4.39Å; F255-L596 HydrophobicContact CE2-CD1 3.84Å; F255-L596 HydrophobicContact CE2-CG 4.35Å; F255-L596 HydrophobicContact CZ-CD1 3.72Å; F255-L596 HydrophobicContact CZ-CD2 4.13Å; F255-L596 HydrophobicContact CZ-CG 3.71Å
256T97.8Very high96.4Very high84 Ų8461.5 Ų61.552%0.51532%0.323SS..EExtended strand (participates in β ladder)trans-131.5135.4178.1-58.70000110.3F237 T238 V239F237-T256 PolarHBondContact O-N 3.39Å; T238-T256 CarbonylContact C-O 3.6Å; T238-T256 VanDerWaalsContact CA-O 3.24Å; T238-T256 WeakPolarHBondContact CA-O 3.37Å; V239-T256 PolarHBondContact N-O 3.14Å
257F98.2Very high96.5Very high73 Ų7361.9 Ų61.932%0.3233%0.325SS..EExtended strand (participates in β ladder)trans-78.3147.2-177.4-65.9-71.1000113.4V239 T241 V246 K247 L250V239-F257 HydrophobicContact CB-CD1 4.12Å; V239-F257 HydrophobicContact CB-CE1 4.27Å; V239-F257 HydrophobicContact CG1-CD1 4.31Å; V239-F257 HydrophobicContact CG1-CE1 4.14Å; V239-F257 CarbonylContact O-C 3.53Å; V239-F257 VanDerWaalsContact O-CA 3.28Å; V239-F257 WeakPolarHBondContact O-CA 3.35Å; T241-F257 HydrophobicContact CG2-CD1 4.19Å; T241-F257 HydrophobicContact CG2-CE1 3.83Å; V246-F257 HydrophobicContact CG1-CE1 4.38Å; K247-F257 HydrophobicContact CB-CZ 4.46Å; K247-F257 HydrophobicContact CG-CE1 4.31Å; K247-F257 HydrophobicContact CG-CZ 4.48Å; L250-F257 HydrophobicContact CB-CZ 4.02Å; L250-F257 HydrophobicContact CD2-CE1 4.24Å; L250-F257 HydrophobicContact CD2-CZ 4.09Å; L250-F257 HydrophobicContact CG-CZ 4.39Å
258V97.9Very high96.6Very high33 Ų3357.3 Ų57.320%0.231%0.305CS..  trans-129.6155.5171.3-64.40000110.8T238 V239 K263 A264T238-V258 HydrophobicContact CG2-CG1 3.96Å; V239-V258 PolarHBondContact O-N 2.77Å; V258-K263 HydrophobicContact CB-CB 4.3Å; V258-K263 HydrophobicContact CG2-CB 4.24Å; V258-A264 HydrophobicContact CG2-CB 3.67Å
259D95.4Very high96.6Very high160 Ų16052.2 Ų52.286%0.85628%0.281SS*.SBendtrans-86.8-6.5-170.8-56.2-43.2000114.8
260S95.2Very high96.3Very high28 Ų2856.6 Ų56.620%0.19630%0.299CS..SBendtrans-140.4141-178.262.60000112.1D262 K263S260-D262 PolarHBondContact O-N 3.43Å; S260-K263 PolarHBondContact O-N 3.04Å; S260-K263 VanDerWaalsContact O-N 3.13Å; S260-K263 VanDerWaalsContact OG-CD 3.3Å; S260-K263 WeakPolarHBondContact OG-CD 3.49Å; S260-K263 VanDerWaalsContact OG-CG 3.29Å; S260-K263 WeakPolarHBondContact OG-CG 3.45Å
261P94.3Very high95.9Very high41 Ų4160.1 Ų60.127%0.26632%0.321SS..G310 helixtrans-54-38.6177.3-22.730000113.4Y240 K263 A264 I267Y240-P261 HydrophobicContact CD1-CB 4.17Å; Y240-P261 HydrophobicContact CD1-CG 3.72Å; Y240-P261 HydrophobicContact CD2-CG 4.27Å; Y240-P261 HydrophobicContact CE1-CG 3.61Å; Y240-P261 HydrophobicContact CE2-CG 4.15Å; Y240-P261 HydrophobicContact CG-CB 4.38Å; Y240-P261 HydrophobicContact CG-CG 4.05Å; P261-K263 PolarHBondContact O-N 2.95Å; P261-K263 VanDerWaalsContact O-N 3.08Å; P261-A264 WeakPolarHBondContact O-CB 3.38Å; P261-A264 PolarHBondContact O-N 2.97Å; P261-I267 HydrophobicContact CB-CD1 3.95Å; P261-I267 HydrophobicContact CB-CG1 4.21Å
262D93.1Very high95.5Very high133 Ų13359.3 Ų59.371%0.71131%0.31SS*.G310 helixtrans-65.2-14.8-176.7-54.2-38.3000114.2S260S260-D262 PolarHBondContact O-N 3.43Å
263K94.9Very high95.4Very high145 Ų14559 Ų5963%0.6331%0.308SS*.G310 helixtrans-102.7-2.3178.3-65.4176.9-169.9171.20112.7T238 V258 S260 P261T238-K263 PolarHBondContact OG1-O 3.11Å; V258-K263 HydrophobicContact CB-CB 4.3Å; V258-K263 HydrophobicContact CG2-CB 4.24Å; S260-K263 PolarHBondContact O-N 3.04Å; S260-K263 VanDerWaalsContact O-N 3.13Å; S260-K263 VanDerWaalsContact OG-CD 3.3Å; S260-K263 WeakPolarHBondContact OG-CD 3.49Å; S260-K263 VanDerWaalsContact OG-CG 3.29Å; S260-K263 WeakPolarHBondContact OG-CG 3.45Å; P261-K263 PolarHBondContact O-N 2.95Å; P261-K263 VanDerWaalsContact O-N 3.08Å
264A97.1Very high95.2Very high2 Ų258.5 Ų58.52%0.01729%0.294CS..  trans-96.1143-171.900000112V258 P261 I267 T286V258-A264 HydrophobicContact CG2-CB 3.67Å; P261-A264 WeakPolarHBondContact O-CB 3.38Å; P261-A264 PolarHBondContact O-N 2.97Å; A264-I267 HydrophobicContact CB-CG1 4.29Å; A264-T286 VanDerWaalsContact O-CG2 3.29Å; A264-T286 WeakPolarHBondContact O-CG2 3.43Å; A264-T286 PolarHBondContact O-OG1 3.29Å
265D97.5Very high95.1Very high14 Ų1458.4 Ų58.48%0.07529%0.294CS..SBendtrans-82.7-25.3167.3-54.3-45.6000111.1R234 F237 T238 T286 Y287R234-D265 VanDerWaalsContact CZ-CG 3.45Å; R234-D265 IonicContact CZ-OD1 3.29Å; R234-D265 IonicContact CZ-OD2 2.8Å; R234-D265 IonicContact NE-OD1 2.86Å; R234-D265 IonicContact NH1-OD1 2.99Å; R234-D265 PolarHBondContact NH1-OD1 3.21Å; R234-D265 IonicContact NH1-OD2 3.98Å; R234-D265 PolarHBondContact NH1-OD2 3.1Å; R234-D265 IonicContact NH2-OD1 2.99Å; R234-D265 PolarHBondContact NH2-OD1 2.99Å; F237-D265 HydrophobicContact CB-CB 4.46Å; F237-D265 HydrophobicContact CD1-CB 3.72Å; T238-D265 PolarHBondContact N-OD2 2.93Å; T238-D265 WeakPolarHBondContact O-CA 3.09Å; T238-D265 PolarHBondContact O-N 3.41Å; T238-D265 PolarHBondContact OG1-N 3.47Å; T238-D265 PolarHBondContact OG1-OD2 2.81Å; D265-T286 CarbonylContact O-C 3.2Å; D265-T286 WeakPolarHBondContact O-CA 3.38Å; D265-Y287 PolarHBondContact O-N 3.1Å
266I98.2Very high95Very high0 Ų057.8 Ų57.80%029%0.292CS..EExtended strand (participates in β ladder)trans-130.8120.7175.4-57.1166.4000108.9F237 T238 V239 Y240 F255 Y287 F591 F595F237-I266 HydrophobicContact CB-CD1 3.77Å; F237-I266 HydrophobicContact CB-CG1 4.38Å; F237-I266 HydrophobicContact CD1-CD1 3.81Å; F237-I266 HydrophobicContact CD1-CG1 3.9Å; F237-I266 HydrophobicContact CG-CD1 3.86Å; F237-I266 HydrophobicContact CG-CG1 4.41Å; T238-I266 PolarHBondContact O-N 3.1Å; V239-I266 WeakPolarHBondContact CA-O 3.48Å; V239-I266 HydrophobicContact CG2-CB 4.3Å; V239-I266 HydrophobicContact CG2-CD1 4.27Å; Y240-I266 PolarHBondContact N-O 2.96Å; F255-I266 HydrophobicContact CD1-CD1 4.17Å; F255-I266 HydrophobicContact CE1-CD1 3.92Å; I266-Y287 HydrophobicContact CG1-CD2 4.33Å; I266-F591 HydrophobicContact CD1-CD1 4.32Å; I266-F591 HydrophobicContact CD1-CE1 4.45Å; I266-F591 HydrophobicContact CG2-CE1 4.18Å; I266-F595 HydrophobicContact CD1-CB 3.93Å; I266-F595 HydrophobicContact CD1-CD1 3.83Å; I266-F595 HydrophobicContact CD1-CD2 3.63Å; I266-F595 HydrophobicContact CD1-CE1 4.23Å; I266-F595 HydrophobicContact CD1-CE2 4.06Å; I266-F595 HydrophobicContact CD1-CG 3.51Å; I266-F595 HydrophobicContact CD1-CZ 4.34Å; I266-F595 HydrophobicContact CG1-CD1 4.07Å; I266-F595 HydrophobicContact CG1-CE1 4.2Å; I266-F595 HydrophobicContact CG1-CG 4.28Å; I266-F595 HydrophobicContact CG2-CE1 3.98Å; I266-F595 HydrophobicContact CG2-CE2 4.03Å; I266-F595 HydrophobicContact CG2-CZ 3.65Å
267I97.9Very high94.9Very high8 Ų857.7 Ų57.74%0.04129%0.285CS..EExtended strand (participates in β ladder)trans-97.9110.8171.4-63.4171000107.8Y240 P261 A264 M269 L279 T286 Y287 I288 N289Y240-I267 HydrophobicContact CD1-CG2 4.34Å; P261-I267 HydrophobicContact CB-CD1 3.95Å; P261-I267 HydrophobicContact CB-CG1 4.21Å; A264-I267 HydrophobicContact CB-CG1 4.29Å; I267-M269 HydrophobicContact CG2-CE 3.5Å; I267-M269 HydrophobicContact CG2-CG 3.69Å; I267-M269 HydrophobicContact CG2-SD 3.66Å; I267-L279 HydrophobicContact CD1-CD1 4.02Å; I267-T286 HydrophobicContact CD1-CG2 3.64Å; I267-T286 HydrophobicContact CG1-CG2 3.74Å; I267-Y287 PolarHBondContact N-O 3.25Å; I267-I288 HydrophobicContact CB-CG1 4.45Å; I267-I288 HydrophobicContact CG2-CD1 4.41Å; I267-I288 HydrophobicContact CG2-CG1 4.4Å; I267-I288 WeakPolarHBondContact O-CA 3.3Å; I267-N289 PolarHBondContact O-N 2.64Å; I267-N289 PolarHBondContact O-OD1 3.07Å
268W97.5Very high94.8Very high7 Ų761.2 Ų61.23%0.02730%0.297CS..EExtended strand (participates in β ladder)trans-115.997.9177.7-168.9-72.7000110.6Y240 T241 N289 L541 F587 I590 F591 L594 F595Y240-W268 PolarHBondContact O-N 3.22Å; T241-W268 WeakPolarHBondContact CA-O 3.45Å; T241-W268 WeakPolarHBondContact CB-O 3.34Å; T241-W268 PolarHBondContact OG1-O 3.25Å; W268-N289 HydrophobicContact CB-CB 4.33Å; W268-N289 HydrophobicContact CD2-CB 3.52Å; W268-N289 HydrophobicContact CE3-CB 3.41Å; W268-N289 VanDerWaalsContact CE3-CB 3.41Å; W268-N289 HydrophobicContact CG-CB 3.96Å; W268-N289 HydrophobicContact CH2-CB 4.38Å; W268-N289 HydrophobicContact CZ2-CB 4.47Å; W268-N289 HydrophobicContact CZ3-CB 3.87Å; W268-L541 HydrophobicContact CH2-CB 3.93Å; W268-L541 HydrophobicContact CZ2-CB 4.08Å; W268-F587 HydrophobicContact CZ2-CE1 4.35Å; W268-I590 HydrophobicContact CH2-CG2 3.97Å; W268-I590 HydrophobicContact CZ3-CG2 4.48Å; W268-F591 HydrophobicContact CB-CZ 4.17Å; W268-F591 AromaticContact CD2-CE2 3.86Å; W268-F591 HydrophobicContact CD2-CE2 3.86Å; W268-F591 AromaticContact CD2-CZ 3.66Å; W268-F591 HydrophobicContact CD2-CZ 3.66Å; W268-F591 HydrophobicContact CE3-CE1 4.27Å; W268-F591 AromaticContact CE3-CE2 3.6Å; W268-F591 HydrophobicContact CE3-CE2 3.6Å; W268-F591 AromaticContact CE3-CZ 3.42Å; W268-F591 HydrophobicContact CE3-CZ 3.42Å; W268-F591 VanDerWaalsContact CE3-CZ 3.42Å; W268-F591 AromaticContact CG-CZ 3.99Å; W268-F591 HydrophobicContact CG-CZ 3.99Å; W268-F591 HydrophobicContact CH2-CE2 4.23Å; W268-F591 HydrophobicContact CZ2-CE2 4.46Å; W268-F591 HydrophobicContact CZ3-CD2 4.44Å; W268-F591 AromaticContact CZ3-CE2 3.81Å; W268-F591 HydrophobicContact CZ3-CE2 3.81Å; W268-F591 HydrophobicContact CZ3-CZ 4.08Å; W268-L594 HydrophobicContact CH2-CD1 4.33Å; W268-L594 HydrophobicContact CZ3-CD1 4.14Å; W268-F595 HydrophobicContact CE3-CE2 4.26Å; W268-F595 HydrophobicContact CE3-CZ 4.21Å; W268-F595 HydrophobicContact CZ3-CE2 4.08Å; W268-F595 HydrophobicContact CZ3-CZ 4.12Å
269M94.5Very high94.6Very high19 Ų1960.2 Ų60.29%0.09429%0.29CS..  trans-121.5147.2-173.5-61-175.6-53.600112.5Y240 D242 I267 F273 N289 F572Y240-M269 HydrophobicContact CD1-CG 4.09Å; Y240-M269 HydrophobicContact CD1-SD 4.12Å; Y240-M269 HydrophobicContact CE1-CG 3.82Å; Y240-M269 HydrophobicContact CE1-SD 3.62Å; D242-M269 VanDerWaalsContact OD1-CA 3.25Å; D242-M269 WeakPolarHBondContact OD1-CA 3.49Å; I267-M269 HydrophobicContact CG2-CE 3.5Å; I267-M269 HydrophobicContact CG2-CG 3.69Å; I267-M269 HydrophobicContact CG2-SD 3.66Å; M269-F273 HydrophobicContact CE-CD2 3.66Å; M269-F273 HydrophobicContact CE-CE2 4.36Å; M269-N289 PolarHBondContact N-ND2 3.06Å; M269-N289 PolarHBondContact N-OD1 2.72Å; M269-N289 PolarHBondContact O-ND2 2.72Å; M269-N289 PolarHBondContact O-OD1 3.28Å; M269-F572 WeakPolarHBondContact O-CZ 3.46Å
270Y91.6Very high94.5Very high138 Ų13853 Ų5354%0.54125%0.252SS..SBendtrans-76.3-35166.9-177.7-100.3000111.7D242 L243 F572D242-Y270 PolarHBondContact OD1-N 2.67Å; D242-Y270 PolarHBondContact OD2-N 3.46Å; L243-Y270 HydrophobicContact CD2-CD2 4.17Å; L243-Y270 HydrophobicContact CD2-CG 4.24Å; Y270-F572 WeakPolarHBondContact O-CE1 3.49Å
271T89.5Confident94.5Very high79 Ų7956.2 Ų56.249%0.48527%0.266SS..SBendtrans-67.1134.5-18047.20000111.4D242 F273 Q290D242-T271 PolarHBondContact OD2-N 3.39Å; D242-T271 PolarHBondContact OD2-OG1 2.71Å; T271-F273 PolarHBondContact O-N 3.36Å; T271-Q290 PolarHBondContact O-NE2 3.33Å
272H88.5Confident94.4Very high82 Ų8258.7 Ų58.738%0.3828%0.277SS..PPolyproline II helixtrans-65.7123.5-178-178.354.6000111.2E221 Q290E221-H272 IonicContact OE1-CE1 3.78Å; E221-H272 PolarHBondContact OE1-CE1 3.45Å; E221-H272 IonicContact OE1-NE2 2.83Å; E221-H272 PolarHBondContact OE1-NE2 3.41Å; H272-Q290 PolarHBondContact ND1-OE1 2.8Å
273F93.1Very high94.5Very high39 Ų3953.8 Ų53.817%0.17125%0.253CS..PPolyproline II helixtrans-92.5130-176.6-170-95.5000110.8M269 T271 D275 F276 L279 I288M269-F273 HydrophobicContact CE-CD2 3.66Å; M269-F273 HydrophobicContact CE-CE2 4.36Å; T271-F273 PolarHBondContact O-N 3.36Å; F273-D275 VanDerWaalsContact CE1-C 3.41Å; F273-D275 VanDerWaalsContact CE1-O 3.25Å; F273-D275 WeakPolarHBondContact CE1-O 3.32Å; F273-D275 WeakPolarHBondContact CZ-O 3.4Å; F273-F276 AromaticContact CD1-CD1 3.82Å; F273-F276 HydrophobicContact CD1-CD1 3.82Å; F273-F276 HydrophobicContact CD1-CD2 4.2Å; F273-F276 AromaticContact CD1-CE1 3.76Å; F273-F276 HydrophobicContact CD1-CE1 3.76Å; F273-F276 HydrophobicContact CD1-CE2 4.13Å; F273-F276 HydrophobicContact CD1-CG 4.05Å; F273-F276 AromaticContact CD1-CZ 3.92Å; F273-F276 HydrophobicContact CD1-CZ 3.92Å; F273-F276 HydrophobicContact CE1-CD1 4.02Å; F273-F276 HydrophobicContact CE1-CE1 4.4Å; F273-F276 HydrophobicContact CE1-CG 4.13Å; F273-F276 WeakPolarHBondContact O-CE2 3.32Å; F273-L279 HydrophobicContact CE1-CB 4.13Å; F273-L279 HydrophobicContact CE1-CD2 4.16Å; F273-L279 HydrophobicContact CZ-CB 3.97Å; F273-L279 HydrophobicContact CZ-CD2 4.26Å; F273-I288 HydrophobicContact CB-CD1 3.65Å; F273-I288 HydrophobicContact CD1-CD1 3.36Å; F273-I288 HydrophobicContact CD2-CD1 3.5Å; F273-I288 VanDerWaalsContact CD2-CD1 3.5Å; F273-I288 HydrophobicContact CE1-CD1 3.76Å; F273-I288 HydrophobicContact CE2-CD1 3.91Å; F273-I288 HydrophobicContact CG-CD1 3.19Å; F273-I288 HydrophobicContact CZ-CD1 4.03Å
274K92.7Very high94.3Very high85 Ų8549.4 Ų49.437%0.3724%0.24SC..  trans-120-20-170.8-61-178.9179.7177.40115V219 E221 K222V219-K274 HydrophobicContact CB-CD 4.46Å; V219-K274 HydrophobicContact CG1-CD 3.77Å; E221-K274 CarbonylContact C-O 3.57Å; E221-K274 WeakPolarHBondContact CA-O 3.47Å; K222-K274 PolarHBondContact N-O 2.9Å
275D94.9Very high94.2Very high43 Ų4352.2 Ų52.223%0.2325%0.254CS..BIsolated β-bridgetrans-107.765.2-172.1-155.8-28.1000111.2K222 F273 E277 R278 L279K222-D275 IonicContact NZ-OD1 3.08Å; K222-D275 IonicContact NZ-OD2 2.92Å; K222-D275 PolarHBondContact NZ-OD2 2.78Å; F273-D275 VanDerWaalsContact CE1-C 3.41Å; F273-D275 VanDerWaalsContact CE1-O 3.25Å; F273-D275 WeakPolarHBondContact CE1-O 3.32Å; F273-D275 WeakPolarHBondContact CZ-O 3.4Å; D275-E277 VanDerWaalsContact C-N 3.27Å; D275-R278 HydrophobicContact CB-CB 4.35Å; D275-R278 PolarHBondContact O-N 2.77Å; D275-R278 WeakPolarHBondContact OD1-CB 3.41Å; D275-R278 PolarHBondContact OD1-N 2.82Å; D275-L279 PolarHBondContact O-N 2.71Å
276F95.5Very high94.1Very high0 Ų052.1 Ų52.10%025%0.254CS..Hα-helixtrans-68.5-28.9178.1-60.8-90000112E221 K222 P224 F273 L279 S280 I288 Q290 P292E221-F276 HydrophobicContact CB-CD2 4.43Å; E221-F276 HydrophobicContact CB-CE2 4.45Å; E221-F276 HydrophobicContact CG-CE2 4.35Å; K222-F276 WeakPolarHBondContact O-CA 3.42Å; K222-F276 VanDerWaalsContact O-CB 3.3Å; K222-F276 WeakPolarHBondContact O-CB 3.44Å; K222-F276 PolarHBondContact O-N 3.19Å; P224-F276 HydrophobicContact CB-CB 4.13Å; P224-F276 HydrophobicContact CG-CB 4.32Å; F273-F276 AromaticContact CD1-CD1 3.82Å; F273-F276 HydrophobicContact CD1-CD1 3.82Å; F273-F276 HydrophobicContact CD1-CD2 4.2Å; F273-F276 AromaticContact CD1-CE1 3.76Å; F273-F276 HydrophobicContact CD1-CE1 3.76Å; F273-F276 HydrophobicContact CD1-CE2 4.13Å; F273-F276 HydrophobicContact CD1-CG 4.05Å; F273-F276 AromaticContact CD1-CZ 3.92Å; F273-F276 HydrophobicContact CD1-CZ 3.92Å; F273-F276 HydrophobicContact CE1-CD1 4.02Å; F273-F276 HydrophobicContact CE1-CE1 4.4Å; F273-F276 HydrophobicContact CE1-CG 4.13Å; F273-F276 WeakPolarHBondContact O-CE2 3.32Å; F276-L279 PolarHBondContact O-N 3.22Å; F276-S280 WeakPolarHBondContact O-CB 3.3Å; F276-S280 PolarHBondContact O-N 2.98Å; F276-S280 PolarHBondContact O-OG 3.12Å; F276-I288 HydrophobicContact CD1-CG2 4.47Å; F276-I288 HydrophobicContact CE1-CG2 4.19Å; F276-Q290 HydrophobicContact CZ-CB 4.38Å; F276-P292 HydrophobicContact CB-CG 4.33Å; F276-P292 HydrophobicContact CD1-CG 3.82Å; F276-P292 HydrophobicContact CD2-CB 3.77Å; F276-P292 HydrophobicContact CD2-CG 3.85Å; F276-P292 HydrophobicContact CE1-CG 3.98Å; F276-P292 HydrophobicContact CE2-CB 3.75Å; F276-P292 HydrophobicContact CE2-CG 4Å; F276-P292 HydrophobicContact CG-CB 4.21Å; F276-P292 HydrophobicContact CG-CG 3.75Å; F276-P292 HydrophobicContact CZ-CB 4.17Å; F276-P292 HydrophobicContact CZ-CG 4.06Å
277E95.6Very high94.1Very high82 Ų8252.3 Ų52.338%0.38326%0.255SS..Hα-helixtrans-54.5-56.4170.7-173.3177-134.400110.9K222 L223 I225 D275 L279 S280 I281K222-E277 HydrophobicContact CB-CB 3.86Å; K222-E277 PolarHBondContact O-N 2.74Å; K222-E277 VanDerWaalsContact O-N 3.14Å; L223-E277 WeakPolarHBondContact O-CA 3.4Å; L223-E277 VanDerWaalsContact O-CB 3.29Å; L223-E277 WeakPolarHBondContact O-CB 3.39Å; L223-E277 PolarHBondContact O-N 2.89Å; I225-E277 HydrophobicContact CG1-CG 4.25Å; D275-E277 VanDerWaalsContact C-N 3.27Å; E277-L279 PolarHBondContact O-N 3.04Å; E277-S280 WeakPolarHBondContact O-CB 3.46Å; E277-S280 PolarHBondContact O-N 3.02Å; E277-S280 VanDerWaalsContact O-N 3.11Å; E277-S280 PolarHBondContact O-OG 3.37Å; E277-I281 HydrophobicContact CG-CD1 4.15Å; E277-I281 WeakPolarHBondContact O-CG1 3.37Å; E277-I281 PolarHBondContact O-N 3.1Å
278R94.9Very high94Very high148 Ų14851.9 Ų51.956%0.55825%0.253SS*.Hα-helixtrans-61.5-42.7-179.2-176.8176.8175.6-165.8-6.6112.4D275 S280 I281 D282D275-R278 HydrophobicContact CB-CB 4.35Å; D275-R278 PolarHBondContact O-N 2.77Å; D275-R278 WeakPolarHBondContact OD1-CB 3.41Å; D275-R278 PolarHBondContact OD1-N 2.82Å; R278-S280 PolarHBondContact O-N 2.82Å; R278-I281 PolarHBondContact O-N 3.32Å; R278-I281 VanDerWaalsContact O-N 3.07Å; R278-D282 WeakPolarHBondContact CG-OD2 3.09Å; R278-D282 IonicContact CZ-OD2 3.24Å; R278-D282 IonicContact NE-OD2 3.68Å; R278-D282 PolarHBondContact NE-OD2 2.95Å; R278-D282 IonicContact NH2-OD2 3.82Å; R278-D282 WeakPolarHBondContact O-CB 3.28Å; R278-D282 PolarHBondContact O-N 2.94Å
279L94.8Very high94Very high12 Ų1251.6 Ų51.66%0.06325%0.252CS..Hα-helixtrans-57.9-39176.6-17567.3000111.6I267 F273 D275 F276 E277 I281 S283 T286 I288I267-L279 HydrophobicContact CD1-CD1 4.02Å; F273-L279 HydrophobicContact CE1-CB 4.13Å; F273-L279 HydrophobicContact CE1-CD2 4.16Å; F273-L279 HydrophobicContact CZ-CB 3.97Å; F273-L279 HydrophobicContact CZ-CD2 4.26Å; D275-L279 PolarHBondContact O-N 2.71Å; F276-L279 PolarHBondContact O-N 3.22Å; E277-L279 PolarHBondContact O-N 3.04Å; L279-I281 VanDerWaalsContact C-N 3.27Å; L279-I281 PolarHBondContact O-N 3.08Å; L279-S283 CarbonylContact O-C 3.53Å; L279-S283 PolarHBondContact O-N 2.92Å; L279-S283 VanDerWaalsContact O-N 3.1Å; L279-T286 HydrophobicContact CD1-CG2 4.36Å; L279-I288 HydrophobicContact CD2-CB 3.92Å; L279-I288 HydrophobicContact CD2-CD1 4.16Å; L279-I288 HydrophobicContact CD2-CG2 3.78Å
280S93.9Very high94.1Very high8 Ų850.7 Ų50.76%0.05625%0.247CC..Hα-helixtrans-69.7-21.917977.80000113.9I225 Q227 F276 E277 R278 Q537I225-S280 PolarHBondContact N-OG 2.73Å; Q227-S280 VanDerWaalsContact NE2-CA 3.33Å; Q227-S280 PolarHBondContact NE2-O 3.08Å; F276-S280 WeakPolarHBondContact O-CB 3.3Å; F276-S280 PolarHBondContact O-N 2.98Å; F276-S280 PolarHBondContact O-OG 3.12Å; E277-S280 WeakPolarHBondContact O-CB 3.46Å; E277-S280 PolarHBondContact O-N 3.02Å; E277-S280 VanDerWaalsContact O-N 3.11Å; E277-S280 PolarHBondContact O-OG 3.37Å; R278-S280 PolarHBondContact O-N 2.82Å; S280-Q537 VanDerWaalsContact CA-OE1 3.25Å
281I93.6Very high94.4Very high95 Ų9544.1 Ų44.149%0.48722%0.222SC..Hα-helixtrans-92.6-54.5178.4-62.3166.3000110.4I225 E277 R278 L279I225-I281 HydrophobicContact CD1-CD1 3.7Å; I225-I281 HydrophobicContact CD1-CG1 3.54Å; I225-I281 HydrophobicContact CG1-CG1 4.31Å; E277-I281 HydrophobicContact CG-CD1 4.15Å; E277-I281 WeakPolarHBondContact O-CG1 3.37Å; E277-I281 PolarHBondContact O-N 3.1Å; R278-I281 PolarHBondContact O-N 3.32Å; R278-I281 VanDerWaalsContact O-N 3.07Å; L279-I281 VanDerWaalsContact C-N 3.27Å; L279-I281 PolarHBondContact O-N 3.08Å
282D93.7Very high94.6Very high94 Ų9440.4 Ų40.450%0.50320%0.199SC..Hα-helixtrans-75.7-36.6-168.9-67.7-5.7000111.3R278R278-D282 WeakPolarHBondContact CG-OD2 3.09Å; R278-D282 IonicContact CZ-OD2 3.24Å; R278-D282 IonicContact NE-OD2 3.68Å; R278-D282 PolarHBondContact NE-OD2 2.95Å; R278-D282 IonicContact NH2-OD2 3.82Å; R278-D282 WeakPolarHBondContact O-CB 3.28Å; R278-D282 PolarHBondContact O-N 2.94Å
283S93.8Very high94.9Very high29 Ų2936.5 Ų36.520%0.20318%0.181CC..  trans-13963.4-171.6-59.60000112.5L279 N285 T286 Q537L279-S283 CarbonylContact O-C 3.53Å; L279-S283 PolarHBondContact O-N 2.92Å; L279-S283 VanDerWaalsContact O-N 3.1Å; S283-N285 PolarHBondContact O-N 3.15Å; S283-T286 WeakPolarHBondContact O-CB 3.43Å; S283-T286 PolarHBondContact O-N 3.21Å; S283-T286 VanDerWaalsContact O-N 3.11Å; S283-Q537 PolarHBondContact O-NE2 2.78Å
284P92Very high95.1Very high54 Ų5434.8 Ų34.835%0.35117%0.173SC..THydrogen-bonded Turntrans-63.9-16.5-17526.7-36.6000114.4
285N93.9Very high95Very high60 Ų6032.2 Ų32.232%0.32116%0.162SC..THydrogen-bonded Turntrans-102.118.6179.3-66.2-59.6000113.6I232 S283I232-N285 WeakPolarHBondContact CD1-OD1 3.43Å; I232-N285 VanDerWaalsContact CG1-OD1 3.25Å; I232-N285 WeakPolarHBondContact CG1-OD1 3.38Å; I232-N285 PolarHBondContact N-OD1 2.72Å; S283-N285 PolarHBondContact O-N 3.15Å
286T95.8Very high95Very high12 Ų1230.2 Ų30.27%0.07415%0.151CC..  trans-109.7135.4178.1-63.50000110A264 D265 I267 L279 S283 Q537A264-T286 VanDerWaalsContact O-CG2 3.29Å; A264-T286 WeakPolarHBondContact O-CG2 3.43Å; A264-T286 PolarHBondContact O-OG1 3.29Å; D265-T286 CarbonylContact O-C 3.2Å; D265-T286 WeakPolarHBondContact O-CA 3.38Å; I267-T286 HydrophobicContact CD1-CG2 3.64Å; I267-T286 HydrophobicContact CG1-CG2 3.74Å; L279-T286 HydrophobicContact CD1-CG2 4.36Å; S283-T286 WeakPolarHBondContact O-CB 3.43Å; S283-T286 PolarHBondContact O-N 3.21Å; S283-T286 VanDerWaalsContact O-N 3.11Å; T286-Q537 WeakPolarHBondContact O-CB 3.45Å; T286-Q537 PolarHBondContact O-NE2 3.4Å
287Y97.2Very high95Very high4 Ų430.2 Ų30.22%0.01615%0.151CC..EExtended strand (participates in β ladder)trans-87.7155170.8-69.4-74.6000111.7P231 F237 D265 I266 I267 Q537 R539 F595P231-Y287 HydrophobicContact CB-CD1 4.31Å; P231-Y287 HydrophobicContact CB-CD2 4.08Å; P231-Y287 HydrophobicContact CB-CE1 3.91Å; P231-Y287 HydrophobicContact CB-CE2 3.68Å; P231-Y287 HydrophobicContact CB-CG 4.38Å; P231-Y287 HydrophobicContact CG-CD1 3.75Å; P231-Y287 HydrophobicContact CG-CD2 4.34Å; P231-Y287 HydrophobicContact CG-CE1 3.55Å; P231-Y287 HydrophobicContact CG-CE2 4.19Å; P231-Y287 HydrophobicContact CG-CG 4.13Å; P231-Y287 PolarHBondContact O-OH 3.17Å; F237-Y287 HydrophobicContact CE1-CD2 4.16Å; F237-Y287 AromaticContact CE1-CE2 3.93Å; F237-Y287 HydrophobicContact CE1-CE2 3.93Å; F237-Y287 HydrophobicContact CZ-CE2 4.41Å; D265-Y287 PolarHBondContact O-N 3.1Å; I266-Y287 HydrophobicContact CG1-CD2 4.33Å; I267-Y287 PolarHBondContact N-O 3.25Å; Y287-Q537 CarbonylContact C-O 3.59Å; Y287-Q537 WeakPolarHBondContact CA-O 3.36Å; Y287-Q537 WeakPolarHBondContact CD1-O 3.34Å; Y287-R539 HydrophobicContact CD1-CG 4.26Å; Y287-F595 HydrophobicContact CD1-CE1 4.49Å; Y287-F595 AromaticContact CD2-CD1 3.94Å; Y287-F595 HydrophobicContact CD2-CD1 3.94Å; Y287-F595 HydrophobicContact CD2-CE1 4.38Å; Y287-F595 HydrophobicContact CE2-CD1 4.42Å; Y287-F595 AromaticContact CG-CD1 3.99Å; Y287-F595 HydrophobicContact CG-CD1 3.99Å; Y287-F595 AromaticContact CG-CE1 4Å; Y287-F595 HydrophobicContact CG-CE1 4Å
288I97.2Very high95Very high0 Ų027.8 Ų27.80%014%0.141CC..EExtended strand (participates in β ladder)trans-132.8145.3172.2-170.6159.9000111.8I267 F273 F276 L279 Q290 Q537 S538 R539I267-I288 HydrophobicContact CB-CG1 4.45Å; I267-I288 HydrophobicContact CG2-CD1 4.41Å; I267-I288 HydrophobicContact CG2-CG1 4.4Å; I267-I288 WeakPolarHBondContact O-CA 3.3Å; F273-I288 HydrophobicContact CB-CD1 3.65Å; F273-I288 HydrophobicContact CD1-CD1 3.36Å; F273-I288 HydrophobicContact CD2-CD1 3.5Å; F273-I288 VanDerWaalsContact CD2-CD1 3.5Å; F273-I288 HydrophobicContact CE1-CD1 3.76Å; F273-I288 HydrophobicContact CE2-CD1 3.91Å; F273-I288 HydrophobicContact CG-CD1 3.19Å; F273-I288 HydrophobicContact CZ-CD1 4.03Å; F276-I288 HydrophobicContact CD1-CG2 4.47Å; F276-I288 HydrophobicContact CE1-CG2 4.19Å; L279-I288 HydrophobicContact CD2-CB 3.92Å; L279-I288 HydrophobicContact CD2-CD1 4.16Å; L279-I288 HydrophobicContact CD2-CG2 3.78Å; I288-Q290 PolarHBondContact O-N 2.83Å; I288-Q290 VanDerWaalsContact O-N 3.16Å; I288-Q537 PolarHBondContact N-O 2.74Å; I288-S538 WeakPolarHBondContact O-CA 3.5Å; I288-R539 PolarHBondContact O-N 3.03Å
289N97.3Very high94.8Very high1 Ų122.5 Ų22.51%0.00513%0.126CC..SBendtrans-80.119.8-176.177.5-50.4000115.5I267 W268 M269 R539I267-N289 PolarHBondContact O-N 2.64Å; I267-N289 PolarHBondContact O-OD1 3.07Å; W268-N289 HydrophobicContact CB-CB 4.33Å; W268-N289 HydrophobicContact CD2-CB 3.52Å; W268-N289 HydrophobicContact CE3-CB 3.41Å; W268-N289 VanDerWaalsContact CE3-CB 3.41Å; W268-N289 HydrophobicContact CG-CB 3.96Å; W268-N289 HydrophobicContact CH2-CB 4.38Å; W268-N289 HydrophobicContact CZ2-CB 4.47Å; W268-N289 HydrophobicContact CZ3-CB 3.87Å; M269-N289 PolarHBondContact N-ND2 3.06Å; M269-N289 PolarHBondContact N-OD1 2.72Å; M269-N289 PolarHBondContact O-ND2 2.72Å; M269-N289 PolarHBondContact O-OD1 3.28Å; N289-R539 CarbonylContact C-O 3.57Å; N289-R539 WeakPolarHBondContact CA-O 3.34Å
290Q97.3Very high94.7Very high0 Ų023.3 Ų23.30%013%0.129CC..  trans-141.2148.5-173.5-72.9174.862.100110.4T271 H272 F276 I288 S538 R539 F572T271-Q290 PolarHBondContact O-NE2 3.33Å; H272-Q290 PolarHBondContact ND1-OE1 2.8Å; F276-Q290 HydrophobicContact CZ-CB 4.38Å; I288-Q290 PolarHBondContact O-N 2.83Å; I288-Q290 VanDerWaalsContact O-N 3.16Å; Q290-S538 WeakPolarHBondContact O-CB 3.41Å; Q290-S538 PolarHBondContact O-OG 3.47Å; Q290-R539 PolarHBondContact N-O 3.26Å; Q290-F572 HydrophobicContact CG-CD2 4.32Å; Q290-F572 HydrophobicContact CG-CE1 4.21Å; Q290-F572 HydrophobicContact CG-CE2 3.38Å; Q290-F572 HydrophobicContact CG-CZ 3.3Å
291F96.3Very high94.6Very high0 Ų023 Ų230%013%0.127CC..  trans-106.1142.7171.6-80.2-97.6000111G293 E294 L438 V441 L532 S538 A540F291-G293 PolarHBondContact O-N 2.91Å; F291-E294 HydrophobicContact CB-CB 4.45Å; F291-E294 PolarHBondContact N-OE2 3.45Å; F291-E294 WeakPolarHBondContact O-CB 3.42Å; F291-E294 WeakPolarHBondContact O-CG 3.35Å; F291-E294 PolarHBondContact O-N 3.11Å; F291-L438 HydrophobicContact CD1-CD2 4.31Å; F291-L438 HydrophobicContact CD2-CD2 3.55Å; F291-L438 HydrophobicContact CD2-CG 4.16Å; F291-L438 HydrophobicContact CE1-CD2 4.26Å; F291-L438 HydrophobicContact CE2-CB 4.09Å; F291-L438 HydrophobicContact CE2-CD2 3.49Å; F291-L438 VanDerWaalsContact CE2-CD2 3.49Å; F291-L438 HydrophobicContact CE2-CG 3.56Å; F291-L438 HydrophobicContact CG-CD2 3.98Å; F291-L438 HydrophobicContact CZ-CD2 3.87Å; F291-L438 HydrophobicContact CZ-CG 3.79Å; F291-V441 HydrophobicContact CD1-CG2 3.74Å; F291-V441 HydrophobicContact CE1-CB 4.5Å; F291-V441 HydrophobicContact CE1-CG2 3.6Å; F291-V441 HydrophobicContact CZ-CG2 4.39Å; F291-L532 HydrophobicContact CB-CD1 3.46Å; F291-L532 VanDerWaalsContact CB-CD1 3.46Å; F291-L532 HydrophobicContact CB-CG 4.29Å; F291-L532 HydrophobicContact CG-CD1 4.28Å; F291-S538 WeakPolarHBondContact CZ-O 3.24Å; F291-A540 HydrophobicContact CD2-CB 3.69Å; F291-A540 HydrophobicContact CE2-CB 3.92Å
292P95.3Very high94.7Very high0 Ų018.7 Ų18.70%010%0.104CC..THydrogen-bonded Turntrans-63.1133.8170.6-3.814.5000110E221 L223 P224 F276 I533 N535E221-P292 WeakPolarHBondContact OE2-CA 3.49Å; E221-P292 WeakPolarHBondContact OE2-CB 3.28Å; L223-P292 HydrophobicContact CD2-CB 3.87Å; P224-P292 HydrophobicContact CG-CG 4.38Å; F276-P292 HydrophobicContact CB-CG 4.33Å; F276-P292 HydrophobicContact CD1-CG 3.82Å; F276-P292 HydrophobicContact CD2-CB 3.77Å; F276-P292 HydrophobicContact CD2-CG 3.85Å; F276-P292 HydrophobicContact CE1-CG 3.98Å; F276-P292 HydrophobicContact CE2-CB 3.75Å; F276-P292 HydrophobicContact CE2-CG 4Å; F276-P292 HydrophobicContact CG-CB 4.21Å; F276-P292 HydrophobicContact CG-CG 3.75Å; F276-P292 HydrophobicContact CZ-CB 4.17Å; F276-P292 HydrophobicContact CZ-CG 4.06Å; P292-I533 HydrophobicContact CB-CB 4.03Å; P292-I533 HydrophobicContact CB-CG1 4.46Å; P292-I533 HydrophobicContact CG-CB 4.24Å; P292-I533 PolarHBondContact O-N 3.29Å; P292-N535 HydrophobicContact CG-CB 4.08Å
293G94.7Very high94.8Very high1 Ų114.3 Ų14.31%0.018%0.081CC..THydrogen-bonded Turntrans80.911.1-177.600000115.1E221 F291 Y295 V296E221-G293 PolarHBondContact OE2-N 3.2Å; F291-G293 PolarHBondContact O-N 2.91Å; G293-Y295 PolarHBondContact O-N 3.05Å; G293-V296 VanDerWaalsContact O-CG1 3.28Å; G293-V296 WeakPolarHBondContact O-CG1 3.48Å; G293-V296 WeakPolarHBondContact O-CG2 3.45Å; G293-V296 PolarHBondContact O-N 3.29Å
294E95.7Very high94.9Very high2 Ų213.2 Ų13.21%0.0097%0.074CC..THydrogen-bonded Turntrans-66.4-15.5178.969.6-178.4-159.300114.4F291 V296 F297 T298 L532 Y542 F572F291-E294 HydrophobicContact CB-CB 4.45Å; F291-E294 PolarHBondContact N-OE2 3.45Å; F291-E294 WeakPolarHBondContact O-CB 3.42Å; F291-E294 WeakPolarHBondContact O-CG 3.35Å; F291-E294 PolarHBondContact O-N 3.11Å; E294-V296 PolarHBondContact O-N 3.46Å; E294-V296 VanDerWaalsContact O-N 3.11Å; E294-F297 HydrophobicContact CB-CE1 4.16Å; E294-F297 HydrophobicContact CB-CZ 4.11Å; E294-F297 PolarHBondContact O-N 3.33Å; E294-T298 WeakPolarHBondContact O-CG2 3.25Å; E294-T298 PolarHBondContact O-N 2.99Å; E294-T298 PolarHBondContact O-OG1 3.25Å; E294-L532 HydrophobicContact CB-CD1 3.86Å; E294-Y542 HydrophobicContact CB-CE1 4.31Å; E294-Y542 PolarHBondContact OE2-OH 3.05Å; E294-F572 WeakPolarHBondContact OE1-CD2 3.46Å; E294-F572 WeakPolarHBondContact OE1-CG 3.45Å
295Y92.6Very high95.1Very high32 Ų3210.7 Ų10.713%0.1256%0.057CC..Hα-helixtrans-56.5-24.5172.357.6-105.3000112.8F214 E221 G293 F297 T298 V299 Y302 P529F214-Y295 HydrophobicContact CD1-CE2 4.42Å; E221-Y295 WeakPolarHBondContact OE1-CD1 3.31Å; G293-Y295 PolarHBondContact O-N 3.05Å; Y295-F297 PolarHBondContact O-N 2.95Å; Y295-F297 VanDerWaalsContact O-N 3.14Å; Y295-T298 VanDerWaalsContact CA-OG1 3.27Å; Y295-T298 WeakPolarHBondContact CA-OG1 3.33Å; Y295-T298 PolarHBondContact O-N 3.18Å; Y295-V299 WeakPolarHBondContact O-CB 3.28Å; Y295-V299 WeakPolarHBondContact O-CG2 3.45Å; Y295-V299 PolarHBondContact O-N 3.41Å; Y295-Y302 AromaticContact CD2-CD2 3.61Å; Y295-Y302 HydrophobicContact CD2-CD2 3.61Å; Y295-Y302 AromaticContact CD2-CE2 3.68Å; Y295-Y302 HydrophobicContact CD2-CE2 3.68Å; Y295-Y302 HydrophobicContact CE2-CD2 4.38Å; Y295-Y302 HydrophobicContact CE2-CE2 4.2Å; Y295-Y302 HydrophobicContact CG-CD2 4.5Å; Y295-P529 WeakPolarHBondContact CE2-O 3.24Å; Y295-P529 PolarHBondContact OH-O 2.95Å
296V94.6Very high95.2Very high0 Ų08 Ų80%04%0.042CC..Hα-helixtrans-62.9-22.9-176-57.80000113.9F214 G293 E294 Y302 L303 A523 R530F214-V296 HydrophobicContact CD1-CG1 4.16Å; F214-V296 HydrophobicContact CE1-CB 4.37Å; F214-V296 HydrophobicContact CE1-CG1 4.12Å; G293-V296 VanDerWaalsContact O-CG1 3.28Å; G293-V296 WeakPolarHBondContact O-CG1 3.48Å; G293-V296 WeakPolarHBondContact O-CG2 3.45Å; G293-V296 PolarHBondContact O-N 3.29Å; E294-V296 PolarHBondContact O-N 3.46Å; E294-V296 VanDerWaalsContact O-N 3.11Å; V296-Y302 CarbonylContact O-C 3.57Å; V296-Y302 WeakPolarHBondContact O-CB 3.36Å; V296-L303 PolarHBondContact O-N 3.31Å; V296-A523 HydrophobicContact CG2-CB 4.16Å; V296-R530 WeakPolarHBondContact CG1-O 3.48Å
297F95.5Very high95.3Very high0 Ų07.4 Ų7.40%04%0.039CC..Hα-helixtrans-122.9-14.9174.763.2-94.9000113.3E294 Y295 L303 L306 I519 F520 A523 L532 Y542 V570E294-F297 HydrophobicContact CB-CE1 4.16Å; E294-F297 HydrophobicContact CB-CZ 4.11Å; E294-F297 PolarHBondContact O-N 3.33Å; Y295-F297 PolarHBondContact O-N 2.95Å; Y295-F297 VanDerWaalsContact O-N 3.14Å; F297-L303 HydrophobicContact CB-CD1 4.01Å; F297-L306 HydrophobicContact CB-CD2 4.05Å; F297-I519 HydrophobicContact CB-CG2 4.35Å; F297-F520 HydrophobicContact CE1-CE1 4.41Å; F297-F520 HydrophobicContact CE2-CE1 4.09Å; F297-F520 HydrophobicContact CE2-CZ 4.09Å; F297-F520 HydrophobicContact CZ-CD1 4.49Å; F297-F520 AromaticContact CZ-CE1 3.8Å; F297-F520 HydrophobicContact CZ-CE1 3.8Å; F297-F520 HydrophobicContact CZ-CZ 4.28Å; F297-A523 HydrophobicContact CD1-CB 3.69Å; F297-A523 HydrophobicContact CE1-CB 4.27Å; F297-L532 HydrophobicContact CE1-CD1 3.91Å; F297-L532 HydrophobicContact CE1-CD2 3.88Å; F297-L532 HydrophobicContact CE1-CG 4.37Å; F297-Y542 AromaticContact CE2-CD1 3.72Å; F297-Y542 HydrophobicContact CE2-CD1 3.72Å; F297-Y542 HydrophobicContact CE2-CD2 4.11Å; F297-Y542 AromaticContact CE2-CE1 3.75Å; F297-Y542 HydrophobicContact CE2-CE1 3.75Å; F297-Y542 HydrophobicContact CE2-CE2 4.11Å; F297-Y542 AromaticContact CE2-CG 3.91Å; F297-Y542 HydrophobicContact CE2-CG 3.91Å; F297-Y542 AromaticContact CE2-CZ 3.95Å; F297-Y542 HydrophobicContact CZ-CD1 4.14Å; F297-Y542 HydrophobicContact CZ-CD2 4.2Å; F297-Y542 AromaticContact CZ-CE1 3.71Å; F297-Y542 HydrophobicContact CZ-CE1 3.71Å; F297-Y542 AromaticContact CZ-CE2 3.74Å; F297-Y542 HydrophobicContact CZ-CE2 3.74Å; F297-Y542 HydrophobicContact CZ-CG 4.37Å; F297-Y542 AromaticContact CZ-CZ 3.49Å; F297-Y542 VanDerWaalsContact CZ-CZ 3.49Å; F297-V570 HydrophobicContact CD2-CB 4.06Å; F297-V570 HydrophobicContact CD2-CG1 3.66Å; F297-V570 HydrophobicContact CD2-CG2 4.49Å; F297-V570 HydrophobicContact CE2-CG1 3.91Å; F297-V570 WeakPolarHBondContact O-CB 3.4Å
298T94.2Very high95.2Very high31 Ų317.3 Ų7.319%0.194%0.039CC..Hα-helixtrans-89.9-15.7178.7570000113.9E294 Y295 Y542 V570 F572E294-T298 WeakPolarHBondContact O-CG2 3.25Å; E294-T298 PolarHBondContact O-N 2.99Å; E294-T298 PolarHBondContact O-OG1 3.25Å; Y295-T298 VanDerWaalsContact CA-OG1 3.27Å; Y295-T298 WeakPolarHBondContact CA-OG1 3.33Å; Y295-T298 PolarHBondContact O-N 3.18Å; T298-Y542 HydrophobicContact CG2-CD1 3.91Å; T298-Y542 HydrophobicContact CG2-CE1 3.99Å; T298-V570 WeakPolarHBondContact CA-O 3.4Å; T298-V570 HydrophobicContact CG2-CG1 4.45Å; T298-F572 HydrophobicContact CG2-CB 4.02Å
299V92.3Very high95.1Very high38 Ų387.7 Ų7.723%0.234%0.042CC..SBendtrans-99.1134.2171.3-167.80000109.1Y295 D301 Y302 L303Y295-V299 WeakPolarHBondContact O-CB 3.28Å; Y295-V299 WeakPolarHBondContact O-CG2 3.45Å; Y295-V299 PolarHBondContact O-N 3.41Å; V299-D301 WeakPolarHBondContact CG1-OD1 3.25Å; V299-D301 PolarHBondContact O-N 3.22Å; V299-Y302 HydrophobicContact CB-CD2 4.01Å; V299-Y302 HydrophobicContact CB-CG 4.41Å; V299-Y302 HydrophobicContact CG2-CD2 4.35Å; V299-Y302 PolarHBondContact O-N 3.5Å; V299-L303 WeakPolarHBondContact O-CB 3.45Å; V299-L303 PolarHBondContact O-N 3.31Å
300K91.7Very high94.9Very high29 Ų299.4 Ų9.413%0.1265%0.051CC..Hα-helixtrans-61.5-44.2-167.1-61.1-179.3177.971.10113.4A304 K379 L383 I408 E569K300-A304 PolarHBondContact O-N 3.38Å; K300-A304 VanDerWaalsContact O-N 3.12Å; K300-K379 HydrophobicContact CD-CB 4.35Å; K300-K379 HydrophobicContact CD-CD 4.44Å; K300-L383 PolarHBondContact NZ-O 3.07Å; K300-I408 HydrophobicContact CB-CD1 3.83Å; K300-E569 WeakPolarHBondContact CE-OE2 3.31Å; K300-E569 IonicContact NZ-OE2 3.58Å
301D92.5Very high94.8Very high2 Ų29.6 Ų9.61%0.0115%0.052CC..Hα-helixtrans-71-30.6-179.865.1-25.2000112.3Y213 R218 V299 S305 I408Y213-D301 WeakPolarHBondContact OH-CB 3.47Å; Y213-D301 PolarHBondContact OH-O 3.31Å; Y213-D301 PolarHBondContact OH-OD2 3.33Å; R218-D301 IonicContact NH2-OD2 2.85Å; R218-D301 PolarHBondContact NH2-OD2 3.12Å; R218-D301 VanDerWaalsContact NH2-OD2 3.1Å; V299-D301 WeakPolarHBondContact CG1-OD1 3.25Å; V299-D301 PolarHBondContact O-N 3.22Å; D301-S305 PolarHBondContact O-N 3.4Å; D301-S305 VanDerWaalsContact O-N 3.15Å; D301-I408 HydrophobicContact CB-CG2 3.8Å
302Y94.6Very high94.6Very high4 Ų412.1 Ų12.12%0.0166%0.063CC..Hα-helixtrans-77.9-37.8173.1-65.7-18.7000113.3Y213 F214 R218 Y295 V296 V299 A304 S305 L306Y213-Y302 HydrophobicContact CD1-CD1 4.18Å; Y213-Y302 AromaticContact CD1-CE1 3.92Å; Y213-Y302 HydrophobicContact CD1-CE1 3.92Å; Y213-Y302 AromaticContact CE1-CD1 3.48Å; Y213-Y302 HydrophobicContact CE1-CD1 3.48Å; Y213-Y302 VanDerWaalsContact CE1-CD1 3.48Å; Y213-Y302 AromaticContact CE1-CE1 3.52Å; Y213-Y302 HydrophobicContact CE1-CE1 3.52Å; Y213-Y302 HydrophobicContact CE2-CE1 4.47Å; Y213-Y302 AromaticContact CZ-CD1 3.97Å; Y213-Y302 AromaticContact CZ-CE1 3.83Å; Y213-Y302 PolarHBondContact O-OH 3.3Å; F214-Y302 HydrophobicContact CD1-CD1 4.03Å; F214-Y302 HydrophobicContact CD1-CD2 4.29Å; F214-Y302 HydrophobicContact CD1-CE1 4.19Å; F214-Y302 HydrophobicContact CD1-CE2 4.43Å; F214-Y302 HydrophobicContact CD1-CG 4.07Å; F214-Y302 AromaticContact CE1-CD1 3.95Å; F214-Y302 HydrophobicContact CE1-CD1 3.95Å; F214-Y302 HydrophobicContact CE1-CD2 4.49Å; F214-Y302 AromaticContact CE1-CG 3.91Å; F214-Y302 HydrophobicContact CE1-CG 3.91Å; F214-Y302 HydrophobicContact CG-CE1 4.43Å; F214-Y302 HydrophobicContact CZ-CD1 4.47Å; R218-Y302 HydrophobicContact CG-CE2 4.49Å; R218-Y302 WeakPolarHBondContact CG-OH 3.39Å; R218-Y302 PolarHBondContact NE-OH 3.11Å; Y295-Y302 AromaticContact CD2-CD2 3.61Å; Y295-Y302 HydrophobicContact CD2-CD2 3.61Å; Y295-Y302 AromaticContact CD2-CE2 3.68Å; Y295-Y302 HydrophobicContact CD2-CE2 3.68Å; Y295-Y302 HydrophobicContact CE2-CD2 4.38Å; Y295-Y302 HydrophobicContact CE2-CE2 4.2Å; Y295-Y302 HydrophobicContact CG-CD2 4.5Å; V296-Y302 CarbonylContact O-C 3.57Å; V296-Y302 WeakPolarHBondContact O-CB 3.36Å; V299-Y302 HydrophobicContact CB-CD2 4.01Å; V299-Y302 HydrophobicContact CB-CG 4.41Å; V299-Y302 HydrophobicContact CG2-CD2 4.35Å; V299-Y302 PolarHBondContact O-N 3.5Å; Y302-A304 PolarHBondContact O-N 3.32Å; Y302-S305 CarbonylContact O-C 3.51Å; Y302-S305 PolarHBondContact O-N 2.85Å; Y302-S305 VanDerWaalsContact O-N 3.16Å; Y302-L306 WeakPolarHBondContact O-CB 3.21Å; Y302-L306 PolarHBondContact O-N 3.27Å
303L96Very high94.3Very high1 Ų114.5 Ų14.51%0.0058%0.075CC..Hα-helixtrans-59.2-40.5171.9-179.959.9000111.2V296 F297 V299 L306 A307 W335 Y336 V567 V570V296-L303 PolarHBondContact O-N 3.31Å; F297-L303 HydrophobicContact CB-CD1 4.01Å; V299-L303 WeakPolarHBondContact O-CB 3.45Å; V299-L303 PolarHBondContact O-N 3.31Å; L303-L306 PolarHBondContact O-N 3.05Å; L303-A307 PolarHBondContact O-N 3.4Å; L303-W335 HydrophobicContact CD1-CH2 4.4Å; L303-W335 HydrophobicContact CD1-CZ3 4.12Å; L303-Y336 HydrophobicContact CD2-CD2 4.23Å; L303-Y336 HydrophobicContact CD2-CE2 3.47Å; L303-Y336 VanDerWaalsContact CD2-CE2 3.47Å; L303-Y336 HydrophobicContact CG-CD2 4.11Å; L303-Y336 HydrophobicContact CG-CE2 3.58Å; L303-V567 HydrophobicContact CD2-CG1 4.01Å; L303-V570 HydrophobicContact CD2-CG2 4.09Å
304A96.4Very high94.1Very high7 Ų717.2 Ų17.26%0.0589%0.091CC..Hα-helixtrans-61.2-48.2172.800000112.1K300 Y302 L306 A307 A308 Y336 T339K300-A304 PolarHBondContact O-N 3.38Å; K300-A304 VanDerWaalsContact O-N 3.12Å; Y302-A304 PolarHBondContact O-N 3.32Å; A304-L306 VanDerWaalsContact C-N 3.31Å; A304-L306 PolarHBondContact O-N 3.34Å; A304-A307 PolarHBondContact O-N 3.39Å; A304-A308 WeakPolarHBondContact O-CB 3.43Å; A304-A308 PolarHBondContact O-N 2.84Å; A304-Y336 VanDerWaalsContact CA-CE1 3.45Å; A304-Y336 HydrophobicContact CB-CD1 4.44Å; A304-Y336 HydrophobicContact CB-CE1 3.64Å; A304-T339 HydrophobicContact CB-CG2 3.61Å
305S96.2Very high93.7Very high0 Ų020.3 Ų20.30%010%0.103CC..Hα-helixtrans-62.2-36.8176172.20000112.9I208 F214 D301 Y302 A308 S309I208-S305 WeakPolarHBondContact O-CB 3.36Å; I208-S305 PolarHBondContact O-OG 3.19Å; F214-S305 WeakPolarHBondContact CE2-OG 3.4Å; F214-S305 VanDerWaalsContact CZ-OG 3.31Å; F214-S305 WeakPolarHBondContact CZ-OG 3.46Å; D301-S305 PolarHBondContact O-N 3.4Å; D301-S305 VanDerWaalsContact O-N 3.15Å; Y302-S305 CarbonylContact O-C 3.51Å; Y302-S305 PolarHBondContact O-N 2.85Å; Y302-S305 VanDerWaalsContact O-N 3.16Å; S305-A308 PolarHBondContact O-N 2.91Å; S305-S309 WeakPolarHBondContact O-CB 3.29Å; S305-S309 PolarHBondContact O-N 3.45Å; S305-S309 PolarHBondContact O-OG 2.8Å
306L96.1Very high93.4Very high3 Ų325.2 Ų25.22%0.01613%0.129CC..Hα-helixtrans-63.8-47177-177.465.2000111.2F297 Y302 L303 A304 S309 L310 A522 A523F297-L306 HydrophobicContact CB-CD2 4.05Å; Y302-L306 WeakPolarHBondContact O-CB 3.21Å; Y302-L306 PolarHBondContact O-N 3.27Å; L303-L306 PolarHBondContact O-N 3.05Å; A304-L306 VanDerWaalsContact C-N 3.31Å; A304-L306 PolarHBondContact O-N 3.34Å; L306-S309 PolarHBondContact O-N 3.43Å; L306-L310 PolarHBondContact O-N 3.36Å; L306-A522 HydrophobicContact CD1-CB 4.05Å; L306-A522 HydrophobicContact CD2-CB 4.19Å; L306-A522 HydrophobicContact CG-CB 3.97Å; L306-A523 HydrophobicContact CD2-CB 3.96Å
307A97Very high92.9Very high0 Ų032.5 Ų32.50%016%0.163CC..Hα-helixtrans-60-48.1173.200000111.3L303 A304 S309 L310 A311 T333 W335 Y336L303-A307 PolarHBondContact O-N 3.4Å; A304-A307 PolarHBondContact O-N 3.39Å; A307-S309 VanDerWaalsContact C-N 3.31Å; A307-S309 PolarHBondContact O-N 2.48Å; A307-L310 PolarHBondContact O-N 2.9Å; A307-A311 WeakPolarHBondContact O-CB 3.4Å; A307-A311 PolarHBondContact O-N 2.91Å; A307-T333 HydrophobicContact CB-CG2 4.39Å; A307-T333 WeakPolarHBondContact O-CG2 3.44Å; A307-W335 HydrophobicContact CB-CH2 3.67Å; A307-W335 HydrophobicContact CB-CZ2 4.22Å; A307-W335 HydrophobicContact CB-CZ3 4.03Å; A307-Y336 HydrophobicContact CB-CD1 3.92Å; A307-Y336 HydrophobicContact CB-CG 3.86Å
308A96.9Very high92Very high2 Ų237.6 Ų37.62%0.01719%0.187CC..Hα-helixtrans-60.9-38.8179.100000112.8I208 L209 A304 S305 A311 K312 L331I208-A308 HydrophobicContact CD1-CB 4.42Å; L209-A308 HydrophobicContact CD2-CB 3.94Å; A304-A308 WeakPolarHBondContact O-CB 3.43Å; A304-A308 PolarHBondContact O-N 2.84Å; S305-A308 PolarHBondContact O-N 2.91Å; A308-A311 PolarHBondContact O-N 3.49Å; A308-K312 WeakPolarHBondContact O-CB 3.43Å; A308-K312 PolarHBondContact O-N 3.33Å; A308-L331 WeakPolarHBondContact CA-O 3.26Å; A308-L331 VanDerWaalsContact CB-O 3.3Å; A308-L331 WeakPolarHBondContact CB-O 3.41Å
309S94.7Very high90.2Very high8 Ų841 Ų416%0.05621%0.211CC..Hα-helixtrans-61.3-46.1177.2-62.80000111.5L209 S305 L306 A307 E313L209-S309 WeakPolarHBondContact CD2-OG 3.46Å; S305-S309 WeakPolarHBondContact O-CB 3.29Å; S305-S309 PolarHBondContact O-N 3.45Å; S305-S309 PolarHBondContact O-OG 2.8Å; L306-S309 PolarHBondContact O-N 3.43Å; A307-S309 VanDerWaalsContact C-N 3.31Å; A307-S309 PolarHBondContact O-N 2.48Å; S309-E313 WeakPolarHBondContact O-CG 3.36Å; S309-E313 PolarHBondContact O-N 2.97Å
310L93.4Very high88.5Confident37 Ų3746.6 Ų46.619%0.19424%0.24CC..Hα-helixtrans-67.6-39.1177.8-176.362.6000112.2L306 A307 E313 T314 T333 A522L306-L310 PolarHBondContact O-N 3.36Å; A307-L310 PolarHBondContact O-N 2.9Å; L310-E313 PolarHBondContact O-N 3.49Å; L310-T314 WeakPolarHBondContact O-CB 3.36Å; L310-T314 PolarHBondContact O-N 2.9Å; L310-T314 PolarHBondContact O-OG1 3.08Å; L310-T333 HydrophobicContact CB-CG2 3.93Å; L310-T333 HydrophobicContact CD2-CG2 3.83Å; L310-T333 HydrophobicContact CG-CG2 4.06Å; L310-A522 HydrophobicContact CD2-CB 4.21Å
311A94.1Very high86.7Confident4 Ų451.9 Ų51.93%0.03327%0.27CS..Hα-helixtrans-60.5-50.2177.100000111.4A307 A308 E313 T314 Y315 S332A307-A311 WeakPolarHBondContact O-CB 3.4Å; A307-A311 PolarHBondContact O-N 2.91Å; A308-A311 PolarHBondContact O-N 3.49Å; A311-E313 VanDerWaalsContact C-N 3.34Å; A311-E313 PolarHBondContact O-N 2.93Å; A311-T314 PolarHBondContact O-N 2.76Å; A311-Y315 WeakPolarHBondContact O-CB 3.2Å; A311-Y315 PolarHBondContact O-N 3.28Å; A311-S332 WeakPolarHBondContact CB-O 3.37Å
312K91.8Very high84.6Confident54 Ų5459.7 Ų59.724%0.23531%0.311CS..Hα-helixtrans-57.5-45.1178.5-174.3172.3-172.2166.50112.3H205 L209 A308 M316H205-K312 PolarHBondContact O-NZ 3.41Å; L209-K312 HydrophobicContact CD1-CD 3.41Å; L209-K312 VanDerWaalsContact CD1-CD 3.41Å; A308-K312 WeakPolarHBondContact O-CB 3.43Å; A308-K312 PolarHBondContact O-N 3.33Å; K312-M316 HydrophobicContact CD-CE 4.35Å; K312-M316 HydrophobicContact CG-CE 3.96Å; K312-M316 HydrophobicContact CG-SD 4.41Å; K312-M316 WeakPolarHBondContact O-CB 3.19Å; K312-M316 VanDerWaalsContact O-CG 3.28Å; K312-M316 WeakPolarHBondContact O-CG 3.38Å; K312-M316 PolarHBondContact O-N 3.44Å
313E90.3Very high82.4Confident50 Ų5065 Ų6523%0.23434%0.337CS..Hα-helixtrans-65.1-43.3177.3-70.3175.8126.400112.4S309 L310 A311 Y315 M316 Q317 K525 Y526S309-E313 WeakPolarHBondContact O-CG 3.36Å; S309-E313 PolarHBondContact O-N 2.97Å; L310-E313 PolarHBondContact O-N 3.49Å; A311-E313 VanDerWaalsContact C-N 3.34Å; A311-E313 PolarHBondContact O-N 2.93Å; E313-Y315 VanDerWaalsContact C-N 3.33Å; E313-M316 PolarHBondContact O-N 2.69Å; E313-Q317 VanDerWaalsContact O-CG 3.32Å; E313-Q317 WeakPolarHBondContact O-CG 3.16Å; E313-Q317 PolarHBondContact O-N 2.91Å; E313-Q317 VanDerWaalsContact O-N 3.11Å; E313-K525 WeakPolarHBondContact OE1-CE 3.36Å; E313-K525 IonicContact OE1-NZ 2.6Å; E313-K525 PolarHBondContact OE1-NZ 2.77Å; E313-K525 VanDerWaalsContact OE2-CE 3.26Å; E313-K525 WeakPolarHBondContact OE2-CE 3.14Å; E313-K525 IonicContact OE2-NZ 3.56Å; E313-K525 PolarHBondContact OE2-NZ 2.9Å; E313-Y526 PolarHBondContact OE1-OH 3.38Å; E313-Y526 VanDerWaalsContact OE1-OH 3.05Å; E313-Y526 PolarHBondContact OE2-OH 3.04Å
314T89.3Confident80.3Confident57 Ų5775.4 Ų75.435%0.3538%0.378SS..Hα-helixtrans-63.1-43.3179.6-57.90000110.6L310 A311 Q317 Q318L310-T314 WeakPolarHBondContact O-CB 3.36Å; L310-T314 PolarHBondContact O-N 2.9Å; L310-T314 PolarHBondContact O-OG1 3.08Å; A311-T314 PolarHBondContact O-N 2.76Å; T314-Q317 PolarHBondContact O-N 3.12Å; T314-Q318 WeakPolarHBondContact O-CG 3.42Å; T314-Q318 PolarHBondContact O-N 3.46Å
315Y86.6Confident78.6Confident67 Ų6781.2 Ų81.226%0.26341%0.408SS..Hα-helixtrans-61.8-45.4175.4-174.8-88.4000111.6A311 E313 Q317 Q318 D325 K330A311-Y315 WeakPolarHBondContact O-CB 3.2Å; A311-Y315 PolarHBondContact O-N 3.28Å; E313-Y315 VanDerWaalsContact C-N 3.33Å; Y315-Q317 VanDerWaalsContact C-N 3.26Å; Y315-Q317 PolarHBondContact O-N 2.87Å; Y315-Q318 PolarHBondContact O-N 2.86Å; Y315-D325 PolarHBondContact OH-OD1 2.72Å; Y315-K330 HydrophobicContact CD1-CB 4.4Å; Y315-K330 HydrophobicContact CD1-CG 4.29Å; Y315-K330 HydrophobicContact CD2-CB 4.09Å; Y315-K330 HydrophobicContact CE1-CD 4.47Å; Y315-K330 HydrophobicContact CE2-CB 4.33Å; Y315-K330 HydrophobicContact CG-CB 4.12Å; Y315-K330 HydrophobicContact CG-CG 4.41Å
316M86.2Confident77.8Confident136 Ų13684.2 Ų84.267%0.6742%0.424SS*.Hα-helixtrans-63.9-26.4178-75.3-179.4175.200114.3K312 E313K312-M316 HydrophobicContact CD-CE 4.35Å; K312-M316 HydrophobicContact CG-CE 3.96Å; K312-M316 HydrophobicContact CG-SD 4.41Å; K312-M316 WeakPolarHBondContact O-CB 3.19Å; K312-M316 VanDerWaalsContact O-CG 3.28Å; K312-M316 WeakPolarHBondContact O-CG 3.38Å; K312-M316 PolarHBondContact O-N 3.44Å; E313-M316 PolarHBondContact O-N 2.69Å
317Q84.6Confident77.3Confident153 Ų15385.6 Ų85.672%0.71543%0.431SS*.Hα-helixtrans-82.2-22.8178.6-721749.200113E313 T314 Y315 S319E313-Q317 VanDerWaalsContact O-CG 3.32Å; E313-Q317 WeakPolarHBondContact O-CG 3.16Å; E313-Q317 PolarHBondContact O-N 2.91Å; E313-Q317 VanDerWaalsContact O-N 3.11Å; T314-Q317 PolarHBondContact O-N 3.12Å; Y315-Q317 VanDerWaalsContact C-N 3.26Å; Y315-Q317 PolarHBondContact O-N 2.87Å; Q317-S319 PolarHBondContact O-N 2.76Å
318Q76.3Confident77Confident107 Ų10787.3 Ų87.350%0.544%0.44SS..SBendtrans-80115177.1-68.2176.522.300108.4T314 Y315 N320T314-Q318 WeakPolarHBondContact O-CG 3.42Å; T314-Q318 PolarHBondContact O-N 3.46Å; Y315-Q318 PolarHBondContact O-N 2.86Å; Q318-N320 PolarHBondContact O-N 2.92Å
319S56.2Low76.6Confident102 Ų10289.1 Ų89.171%0.71346%0.455SS*.  trans-54.2131.5179.551.20000111.8Q317 D321Q317-S319 PolarHBondContact O-N 2.76Å; S319-D321 PolarHBondContact O-N 2.74Å
320N57.5Low76.5Confident155 Ų15591.2 Ų91.283%0.82946%0.463SS*.THydrogen-bonded Turntrans-49.9-1.8-176.4-76.7-7.7000118Q318 L322Q318-N320 PolarHBondContact O-N 2.92Å; N320-L322 PolarHBondContact O-N 3.08Å
321D53Low76.6Confident140 Ų14089.5 Ų89.575%0.74945%0.454SS*.THydrogen-bonded Turntrans-80.8-16.2-158.5-94.6-18.5000116.1S319S319-D321 PolarHBondContact O-N 2.74Å
322L48.8Very low76.6Confident167 Ų16789.9 Ų89.987%0.87446%0.456SS*.SBendtrans-148.94.9-170.1-75.2172000118.4N320N320-L322 PolarHBondContact O-N 3.08Å
323M49.1Very low76.8Confident116 Ų11688.2 Ų88.257%0.57145%0.451SS*.  trans-89.7125.8177.2-80.1-121.387.800111.1D325M323-D325 PolarHBondContact O-N 3.43Å
324Y51.5Low76.9Confident219 Ų21990 Ų9086%0.85946%0.462SS*.  trans-45.3133.1149.2-85.4-92.9000107.5N326Y324-N326 PolarHBondContact O-N 2.81Å
325D60.9Low77.2Confident128 Ų12887.4 Ų87.468%0.68445%0.446SS*.  trans-63.276.8-176.2-160.510.5000110.7Y315 M323 I327Y315-D325 PolarHBondContact OH-OD1 2.72Å; M323-D325 PolarHBondContact O-N 3.43Å; D325-I327 VanDerWaalsContact C-N 3.27Å; D325-I327 PolarHBondContact O-N 3.37Å
326N78.3Confident77.7Confident63 Ų6384.4 Ų84.434%0.33743%0.434SS..  trans-81.884.1178.1-175.10.8000107.1Y324 D328 A329Y324-N326 PolarHBondContact O-N 2.81Å; N326-D328 PolarHBondContact O-N 3.34Å; N326-D328 WeakPolarHBondContact OD1-CB 3.15Å; N326-D328 PolarHBondContact OD1-N 3.37Å; N326-A329 HydrophobicContact CB-CB 4.45Å; N326-A329 WeakPolarHBondContact O-CB 3.48Å; N326-A329 PolarHBondContact O-N 3.44Å
327I87.2Confident78.1Confident32 Ų3278.6 Ų78.616%0.16441%0.406CS..Hα-helixtrans-51-33.2-178-164.7163.6000112.7I203 D325 A329 K330 L331 Y352I203-I327 HydrophobicContact CB-CD1 3.6Å; I203-I327 HydrophobicContact CD1-CD1 3.65Å; I203-I327 HydrophobicContact CG1-CD1 4.24Å; I203-I327 HydrophobicContact CG2-CD1 3.71Å; I203-I327 HydrophobicContact CG2-CG1 4.3Å; D325-I327 VanDerWaalsContact C-N 3.27Å; D325-I327 PolarHBondContact O-N 3.37Å; I327-A329 VanDerWaalsContact C-N 3.28Å; I327-A329 PolarHBondContact O-N 3.31Å; I327-K330 WeakPolarHBondContact O-CB 3.32Å; I327-K330 PolarHBondContact O-N 3.39Å; I327-L331 HydrophobicContact CG1-CD1 4.18Å; I327-L331 HydrophobicContact CG1-CG 4.49Å; I327-L331 WeakPolarHBondContact O-CG 3.15Å; I327-L331 PolarHBondContact O-N 3.05Å; I327-Y352 HydrophobicContact CG2-CD2 4.43Å; I327-Y352 HydrophobicContact CG2-CE2 3.86Å
328D90.2Very high78.7Confident36 Ų3671.4 Ų71.419%0.19337%0.373CS..Hα-helixtrans-61.1-36.4178.7-67.5-3.1000112.6N326 K330 L331 S332 V338 Y352 R411N326-D328 PolarHBondContact O-N 3.34Å; N326-D328 WeakPolarHBondContact OD1-CB 3.15Å; N326-D328 PolarHBondContact OD1-N 3.37Å; D328-K330 PolarHBondContact O-N 3.09Å; D328-L331 PolarHBondContact O-N 2.91Å; D328-S332 PolarHBondContact O-N 2.84Å; D328-V338 HydrophobicContact CB-CG2 4.03Å; D328-Y352 WeakPolarHBondContact OD1-CE2 3.27Å; D328-Y352 PolarHBondContact OD1-OH 2.98Å; D328-R411 IonicContact OD1-NH1 2.67Å; D328-R411 IonicContact OD2-CZ 3.51Å; D328-R411 IonicContact OD2-NH1 3.54Å; D328-R411 PolarHBondContact OD2-NH1 3.08Å; D328-R411 IonicContact OD2-NH2 3.15Å
329A89.2Confident79.7Confident40 Ų4066.6 Ų66.633%0.33135%0.351SS..Hα-helixtrans-67.8-21.5179.400000112.5N326 I327N326-A329 HydrophobicContact CB-CB 4.45Å; N326-A329 WeakPolarHBondContact O-CB 3.48Å; N326-A329 PolarHBondContact O-N 3.44Å; I327-A329 VanDerWaalsContact C-N 3.28Å; I327-A329 PolarHBondContact O-N 3.31Å
330K91.1Very high81.7Confident52 Ų5261.8 Ų61.823%0.22632%0.317CS..Hα-helixtrans-83.4-27171.7-175.7-175.6173.3-168.30111.9E204 Y315 I327 D328E204-K330 IonicContact OE2-NZ 2.64Å; E204-K330 PolarHBondContact OE2-NZ 3.15Å; Y315-K330 HydrophobicContact CD1-CB 4.4Å; Y315-K330 HydrophobicContact CD1-CG 4.29Å; Y315-K330 HydrophobicContact CD2-CB 4.09Å; Y315-K330 HydrophobicContact CE1-CD 4.47Å; Y315-K330 HydrophobicContact CE2-CB 4.33Å; Y315-K330 HydrophobicContact CG-CB 4.12Å; Y315-K330 HydrophobicContact CG-CG 4.41Å; I327-K330 WeakPolarHBondContact O-CB 3.32Å; I327-K330 PolarHBondContact O-N 3.39Å; D328-K330 PolarHBondContact O-N 3.09Å
331L95.2Very high83.5Confident1 Ų154.7 Ų54.71%0.00528%0.279CS..Hα-helixtrans-91.5-34-172.3-64.3174.8000113.6I203 H205 A308 I327 D328 V338 F340 Y352I203-L331 HydrophobicContact CG2-CD1 3.94Å; I203-L331 HydrophobicContact CG2-CD2 4.22Å; H205-L331 PolarHBondContact CD2-O 2.74Å; H205-L331 VanDerWaalsContact CD2-O 3.31Å; H205-L331 PolarHBondContact NE2-O 3.04Å; A308-L331 WeakPolarHBondContact CA-O 3.26Å; A308-L331 VanDerWaalsContact CB-O 3.3Å; A308-L331 WeakPolarHBondContact CB-O 3.41Å; I327-L331 HydrophobicContact CG1-CD1 4.18Å; I327-L331 HydrophobicContact CG1-CG 4.49Å; I327-L331 WeakPolarHBondContact O-CG 3.15Å; I327-L331 PolarHBondContact O-N 3.05Å; D328-L331 PolarHBondContact O-N 2.91Å; L331-V338 HydrophobicContact CB-CG1 4.14Å; L331-V338 HydrophobicContact CB-CG2 4.32Å; L331-V338 HydrophobicContact CD1-CG1 3.91Å; L331-F340 HydrophobicContact CD1-CZ 3.91Å; L331-Y352 HydrophobicContact CD1-CD2 3.86Å; L331-Y352 HydrophobicContact CD1-CE2 3.72Å
332S95.9Very high85.5Confident12 Ų1248.1 Ų48.18%0.08424%0.244CC..  trans-153.3160.9-179.2-170.30000113.3A311 D328 Y336A311-S332 WeakPolarHBondContact CB-O 3.37Å; D328-S332 PolarHBondContact O-N 2.84Å; S332-Y336 PolarHBondContact OG-O 3.14Å
333T95Very high87.6Confident19 Ų1942.8 Ų42.812%0.11722%0.219CC..  trans-69.4164.8170.5570000111.6A307 L310 W335 Y336A307-T333 HydrophobicContact CB-CG2 4.39Å; A307-T333 WeakPolarHBondContact O-CG2 3.44Å; L310-T333 HydrophobicContact CB-CG2 3.93Å; L310-T333 HydrophobicContact CD2-CG2 3.83Å; L310-T333 HydrophobicContact CG-CG2 4.06Å; T333-W335 HydrophobicContact CG2-CZ2 3.91Å; T333-W335 PolarHBondContact O-N 3.04Å; T333-W335 PolarHBondContact OG1-NE1 3.1Å; T333-Y336 PolarHBondContact O-N 3.23Å; T333-Y336 PolarHBondContact OG1-N 3.42Å
334N92.3Very high89.7Confident88 Ų8840.2 Ų40.247%0.47120%0.203SC..THydrogen-bonded Turntrans-62.7-28.5174.562.6-3.8000113.4R551N334-R551 PolarHBondContact O-NH1 3.09Å; N334-R551 PolarHBondContact O-NH2 2.86Å
335W95.1Very high91.8Very high2 Ų229.8 Ų29.81%0.00816%0.162CC..THydrogen-bonded Turntrans-89.2-6.2-175.953.5-104.7000114L303 A307 T333 L515 E518 I519 V566 V567L303-W335 HydrophobicContact CD1-CH2 4.4Å; L303-W335 HydrophobicContact CD1-CZ3 4.12Å; A307-W335 HydrophobicContact CB-CH2 3.67Å; A307-W335 HydrophobicContact CB-CZ2 4.22Å; A307-W335 HydrophobicContact CB-CZ3 4.03Å; T333-W335 HydrophobicContact CG2-CZ2 3.91Å; T333-W335 PolarHBondContact O-N 3.04Å; T333-W335 PolarHBondContact OG1-NE1 3.1Å; W335-L515 HydrophobicContact CB-CB 4.38Å; W335-L515 HydrophobicContact CB-CD1 3.35Å; W335-L515 HydrophobicContact CB-CG 3.61Å; W335-L515 HydrophobicContact CG-CD1 4.41Å; W335-L515 HydrophobicContact CG-CG 4.18Å; W335-E518 VanDerWaalsContact CD1-OE2 3.25Å; W335-I519 HydrophobicContact CD2-CG1 4.35Å; W335-I519 HydrophobicContact CE3-CG1 4.06Å; W335-I519 HydrophobicContact CH2-CG1 4.23Å; W335-I519 HydrophobicContact CZ2-CG1 4.46Å; W335-I519 HydrophobicContact CZ3-CG1 4.02Å; W335-V566 CarbonylContact O-C 3.52Å; W335-V566 WeakPolarHBondContact O-CA 3.37Å; W335-V567 HydrophobicContact CE3-CB 4.42Å; W335-V567 HydrophobicContact CE3-CG2 3.92Å; W335-V567 PolarHBondContact O-N 2.87Å
336Y97.2Very high93.5Very high5 Ų523.8 Ų23.82%0.0213%0.13CC..SBendtrans-128.3136.9178.3-155.2-103.7000111.2L303 A304 A307 S332 T333 T339 V567L303-Y336 HydrophobicContact CD2-CD2 4.23Å; L303-Y336 HydrophobicContact CD2-CE2 3.47Å; L303-Y336 VanDerWaalsContact CD2-CE2 3.47Å; L303-Y336 HydrophobicContact CG-CD2 4.11Å; L303-Y336 HydrophobicContact CG-CE2 3.58Å; A304-Y336 VanDerWaalsContact CA-CE1 3.45Å; A304-Y336 HydrophobicContact CB-CD1 4.44Å; A304-Y336 HydrophobicContact CB-CE1 3.64Å; A307-Y336 HydrophobicContact CB-CD1 3.92Å; A307-Y336 HydrophobicContact CB-CG 3.86Å; S332-Y336 PolarHBondContact OG-O 3.14Å; T333-Y336 PolarHBondContact O-N 3.23Å; T333-Y336 PolarHBondContact OG1-N 3.42Å; Y336-T339 WeakPolarHBondContact CE1-OG1 3.47Å; Y336-V567 HydrophobicContact CD2-CB 4.02Å; Y336-V567 HydrophobicContact CD2-CG1 4.36Å; Y336-V567 HydrophobicContact CE2-CB 4.43Å; Y336-V567 HydrophobicContact CE2-CG1 4.35Å
337P96Very high94.4Very high13 Ų1321.8 Ų21.88%0.08412%0.12CC..  trans-65146.6177.528.2-34.5000111.1T339 R411P337-T339 PolarHBondContact O-N 2.85Å; P337-T339 VanDerWaalsContact O-N 3.15Å; P337-T339 PolarHBondContact O-OG1 2.77Å; P337-R411 HydrophobicContact CB-CB 4.4Å; P337-R411 WeakPolarHBondContact CB-O 3.39Å
338V96.3Very high94.9Very high3 Ų321.8 Ų21.82%0.01812%0.12CC..  trans-49.6124.4166.4174.90000108.1D328 L331 F340 Y352 W376 S410 R411D328-V338 HydrophobicContact CB-CG2 4.03Å; L331-V338 HydrophobicContact CB-CG1 4.14Å; L331-V338 HydrophobicContact CB-CG2 4.32Å; L331-V338 HydrophobicContact CD1-CG1 3.91Å; V338-F340 HydrophobicContact CG1-CD2 4.35Å; V338-F340 HydrophobicContact CG1-CE2 3.66Å; V338-F340 HydrophobicContact CG1-CZ 4.24Å; V338-Y352 HydrophobicContact CG1-CE1 4.4Å; V338-W376 HydrophobicContact CG1-CH2 4.32Å; V338-S410 WeakPolarHBondContact O-CA 3.48Å; V338-R411 PolarHBondContact O-N 3.5Å
339T97.6Very high95.3Very high6 Ų620.1 Ų20.14%0.03711%0.111CC..EExtended strand (participates in β ladder)trans-142132.6-170.7-61.80000110.2H205 A304 Y336 P337 I408 A409 S410H205-T339 PolarHBondContact CE1-O 3.29Å; A304-T339 HydrophobicContact CB-CG2 3.61Å; Y336-T339 WeakPolarHBondContact CE1-OG1 3.47Å; P337-T339 PolarHBondContact O-N 2.85Å; P337-T339 VanDerWaalsContact O-N 3.15Å; P337-T339 PolarHBondContact O-OG1 2.77Å; T339-I408 HydrophobicContact CG2-CB 3.89Å; T339-I408 HydrophobicContact CG2-CD1 4Å; T339-I408 HydrophobicContact CG2-CG1 4.42Å; T339-I408 HydrophobicContact CG2-CG2 4.45Å; T339-A409 CarbonylContact C-O 3.54Å; T339-A409 WeakPolarHBondContact CA-O 3.08Å; T339-S410 VanDerWaalsContact CG2-OG 3.25Å; T339-S410 WeakPolarHBondContact CG2-OG 3.47Å; T339-S410 WeakPolarHBondContact OG1-CB 3.38Å; T339-S410 PolarHBondContact OG1-OG 2.85Å
340F97.7Very high95.7Very high1 Ų118.2 Ų18.20%0.00410%0.095CC..EExtended strand (participates in β ladder)trans-114.3140.5176.1-65-89.1000110.5I203 H205 L331 V338 L342 E345 Q348 F349 Y352 W376 I408 A409I203-F340 HydrophobicContact CG2-CE1 4.47Å; I203-F340 HydrophobicContact CG2-CZ 4.21Å; H205-F340 AromaticContact CE1-CD1 3.8Å; H205-F340 AromaticContact CE1-CE1 3.88Å; L331-F340 HydrophobicContact CD1-CZ 3.91Å; V338-F340 HydrophobicContact CG1-CD2 4.35Å; V338-F340 HydrophobicContact CG1-CE2 3.66Å; V338-F340 HydrophobicContact CG1-CZ 4.24Å; F340-L342 HydrophobicContact CB-CD2 4.38Å; F340-E345 HydrophobicContact CB-CB 4.45Å; F340-E345 HydrophobicContact CD1-CB 4.27Å; F340-Q348 HydrophobicContact CD1-CB 4.18Å; F340-Q348 HydrophobicContact CE1-CB 3.96Å; F340-F349 HydrophobicContact CB-CB 3.98Å; F340-F349 HydrophobicContact CB-CD2 4.14Å; F340-F349 HydrophobicContact CB-CG 4.44Å; F340-F349 HydrophobicContact CD1-CB 4.36Å; F340-F349 HydrophobicContact CD2-CB 4.37Å; F340-F349 AromaticContact CD2-CD2 3.69Å; F340-F349 HydrophobicContact CD2-CD2 3.69Å; F340-F349 HydrophobicContact CE2-CD2 4.36Å; F340-F349 HydrophobicContact CG-CB 3.99Å; F340-F349 HydrophobicContact CG-CD2 4.08Å; F340-Y352 AromaticContact CE2-CD1 3.88Å; F340-Y352 HydrophobicContact CE2-CD1 3.88Å; F340-Y352 HydrophobicContact CE2-CE1 4.43Å; F340-Y352 AromaticContact CE2-CG 3.96Å; F340-Y352 HydrophobicContact CE2-CG 3.96Å; F340-Y352 HydrophobicContact CZ-CD1 4.3Å; F340-Y352 HydrophobicContact CZ-CD2 4.31Å; F340-Y352 AromaticContact CZ-CG 3.9Å; F340-Y352 HydrophobicContact CZ-CG 3.9Å; F340-W376 AromaticContact CD2-CH2 3.91Å; F340-W376 HydrophobicContact CD2-CH2 3.91Å; F340-W376 HydrophobicContact CD2-CZ3 4.02Å; F340-W376 AromaticContact CE2-CH2 3.81Å; F340-W376 HydrophobicContact CE2-CH2 3.81Å; F340-W376 HydrophobicContact CE2-CZ3 4.36Å; F340-I408 CarbonylContact O-C 3.58Å; F340-I408 VanDerWaalsContact O-CA 3.28Å; F340-I408 WeakPolarHBondContact O-CA 3.5Å; F340-A409 PolarHBondContact N-O 2.77Å; F340-A409 PolarHBondContact O-N 2.86Å
341N95.6Very high96Very high5 Ų515.7 Ų15.73%0.0278%0.084CC..EExtended strand (participates in β ladder)trans-85.3107.2168.8-175.3-39000109.5I208 Y213 V343 Y344 E345I208-N341 HydrophobicContact CG2-CB 4.11Å; Y213-N341 PolarHBondContact OH-ND2 2.64Å; N341-V343 PolarHBondContact O-N 2.93Å; N341-V343 VanDerWaalsContact O-N 3.08Å; N341-V343 WeakPolarHBondContact OD1-CB 3.14Å; N341-V343 PolarHBondContact OD1-N 3.31Å; N341-V343 VanDerWaalsContact OD1-N 3.08Å; N341-Y344 PolarHBondContact O-N 3.3Å; N341-E345 PolarHBondContact N-OE2 2.95Å; N341-E345 VanDerWaalsContact N-OE2 3.1Å; N341-E345 WeakPolarHBondContact O-CA 3.45Å; N341-E345 WeakPolarHBondContact O-CB 3.34Å; N341-E345 PolarHBondContact O-N 3.48Å
342L95.3Very high96Very high2 Ų215.8 Ų15.81%0.018%0.084CC..THydrogen-bonded Turntrans-73.5-4.3-169.8-57.3172.5000114.1F340 L346 F349 L378 I398 C402 M407 A409F340-L342 HydrophobicContact CB-CD2 4.38Å; L342-L346 HydrophobicContact CD2-CD1 4.47Å; L342-F349 HydrophobicContact CD2-CB 3.73Å; L342-F349 HydrophobicContact CD2-CD1 3.61Å; L342-F349 HydrophobicContact CD2-CD2 4.02Å; L342-F349 HydrophobicContact CD2-CE1 4.28Å; L342-F349 HydrophobicContact CD2-CG 3.47Å; L342-F349 VanDerWaalsContact CD2-CG 3.47Å; L342-L378 HydrophobicContact CD1-CD2 3.97Å; L342-I398 HydrophobicContact CD1-CG2 3.97Å; L342-C402 WeakPolarHBondContact CD1-SG 3.3Å; L342-M407 WeakPolarHBondContact CB-O 3.32Å; L342-M407 HydrophobicContact CD1-CB 4.11Å; L342-M407 PolarHBondContact N-O 3.14Å; L342-A409 HydrophobicContact CD1-CB 3.73Å; L342-A409 HydrophobicContact CD2-CB 3.89Å; L342-A409 HydrophobicContact CG-CB 4.03Å
343V92.3Very high96Very high56 Ų5615.7 Ų15.734%0.3398%0.082SC..THydrogen-bonded Turntrans-80.2-37.8169179.10000111.2N341 P406N341-V343 PolarHBondContact O-N 2.93Å; N341-V343 VanDerWaalsContact O-N 3.08Å; N341-V343 WeakPolarHBondContact OD1-CB 3.14Å; N341-V343 PolarHBondContact OD1-N 3.31Å; N341-V343 VanDerWaalsContact OD1-N 3.08Å; V343-P406 HydrophobicContact CG2-CB 3.7Å; V343-P406 HydrophobicContact CG2-CG 4.49Å
344Y93.6Very high96.1Very high61 Ų6115.9 Ų15.924%0.2398%0.082CC..THydrogen-bonded Turntrans-112-18.3-171-58.9-65.8000113.7Y207 Y213 N341 W381Y207-Y344 AromaticContact CD1-CD1 3.65Å; Y207-Y344 HydrophobicContact CD1-CD1 3.65Å; Y207-Y344 HydrophobicContact CD1-CD2 4.23Å; Y207-Y344 HydrophobicContact CD1-CE1 4.25Å; Y207-Y344 AromaticContact CD1-CG 3.64Å; Y207-Y344 HydrophobicContact CD1-CG 3.64Å; Y207-Y344 AromaticContact CE1-CD1 3.49Å; Y207-Y344 HydrophobicContact CE1-CD1 3.49Å; Y207-Y344 VanDerWaalsContact CE1-CD1 3.49Å; Y207-Y344 HydrophobicContact CE1-CD2 4.17Å; Y207-Y344 AromaticContact CE1-CE1 3.6Å; Y207-Y344 HydrophobicContact CE1-CE1 3.6Å; Y207-Y344 HydrophobicContact CE1-CE2 4.26Å; Y207-Y344 AromaticContact CE1-CG 3.8Å; Y207-Y344 HydrophobicContact CE1-CG 3.8Å; Y207-Y344 AromaticContact CE1-CZ 3.99Å; Y213-Y344 HydrophobicContact CD2-CD2 4Å; Y213-Y344 AromaticContact CD2-CE2 3.96Å; Y213-Y344 HydrophobicContact CD2-CE2 3.96Å; Y213-Y344 AromaticContact CE2-CD2 3.61Å; Y213-Y344 HydrophobicContact CE2-CD2 3.61Å; Y213-Y344 AromaticContact CE2-CE2 3.64Å; Y213-Y344 HydrophobicContact CE2-CE2 3.64Å; N341-Y344 PolarHBondContact O-N 3.3Å; Y344-W381 HydrophobicContact CE2-CZ3 4.38Å
345E96.5Very high96.1Very high0 Ų012.7 Ų12.70%07%0.066CC..  trans-129.623.7-171.2-56.5-174.5127.300112.5H205 I208 F340 N341 P347 Q348 F349H205-E345 WeakPolarHBondContact CA-OE1 3.37Å; H205-E345 IonicContact CE1-OE1 3.48Å; H205-E345 IonicContact CE1-OE2 2.69Å; H205-E345 IonicContact CG-OE1 3.87Å; H205-E345 IonicContact ND1-OE1 2.77Å; H205-E345 PolarHBondContact ND1-OE1 3.23Å; H205-E345 IonicContact ND1-OE2 3.93Å; H205-E345 PolarHBondContact ND1-OE2 2.88Å; I208-E345 WeakPolarHBondContact CD1-OE1 3.3Å; I208-E345 WeakPolarHBondContact CG1-OE1 3.38Å; I208-E345 VanDerWaalsContact CG2-CD 3.45Å; I208-E345 HydrophobicContact CG2-CG 3.8Å; F340-E345 HydrophobicContact CB-CB 4.45Å; F340-E345 HydrophobicContact CD1-CB 4.27Å; N341-E345 PolarHBondContact N-OE2 2.95Å; N341-E345 VanDerWaalsContact N-OE2 3.1Å; N341-E345 WeakPolarHBondContact O-CA 3.45Å; N341-E345 WeakPolarHBondContact O-CB 3.34Å; N341-E345 PolarHBondContact O-N 3.48Å; E345-P347 VanDerWaalsContact C-N 3.35Å; E345-Q348 HydrophobicContact CB-CB 4.45Å; E345-Q348 PolarHBondContact O-N 3.25Å; E345-Q348 PolarHBondContact O-OE1 3.33Å; E345-F349 WeakPolarHBondContact O-CB 3.38Å; E345-F349 PolarHBondContact O-N 2.9Å
346L96.1Very high95.9Very high3 Ų313.5 Ų13.52%0.0167%0.071CC..Hα-helixtrans-54.9-44.9174.8-178.564.4000112.3Y189 L342 Q348 F349 C350 I399Y189-L346 HydrophobicContact CD1-CD2 4.43Å; Y189-L346 HydrophobicContact CD2-CD2 3.8Å; Y189-L346 HydrophobicContact CE1-CD2 4.2Å; Y189-L346 HydrophobicContact CE2-CD2 3.54Å; Y189-L346 HydrophobicContact CG-CD2 4.25Å; L342-L346 HydrophobicContact CD2-CD1 4.47Å; L346-Q348 PolarHBondContact O-N 3.45Å; L346-F349 HydrophobicContact CD1-CD1 4.42Å; L346-F349 WeakPolarHBondContact O-CB 3.03Å; L346-F349 PolarHBondContact O-N 3.27Å; L346-C350 PolarHBondContact O-N 3.46Å; L346-C350 PolarHBondContact O-SG 2.82Å; L346-C350 VanDerWaalsContact O-SG 3.38Å; L346-I399 HydrophobicContact CD1-CG1 4.44Å
347P97.5Very high95.4Very high21 Ų2119.2 Ų19.214%0.1369%0.093CC..Hα-helixtrans-55.7-50.9175.5-2938.3000113.5L185 Y188 E345 F349 C350 A351L185-P347 HydrophobicContact CD2-CG 3.79Å; Y188-P347 HydrophobicContact CD1-CB 4.4Å; Y188-P347 HydrophobicContact CD2-CB 4.46Å; Y188-P347 HydrophobicContact CD2-CG 4Å; Y188-P347 HydrophobicContact CE1-CB 3.8Å; Y188-P347 HydrophobicContact CE1-CG 4.36Å; Y188-P347 HydrophobicContact CE2-CB 3.87Å; Y188-P347 HydrophobicContact CE2-CG 3.64Å; Y188-P347 HydrophobicContact CG-CG 4.49Å; E345-P347 VanDerWaalsContact C-N 3.35Å; P347-F349 VanDerWaalsContact C-N 3.27Å; P347-F349 PolarHBondContact O-N 3.25Å; P347-C350 PolarHBondContact O-N 2.57Å; P347-A351 WeakPolarHBondContact O-CB 3.14Å; P347-A351 PolarHBondContact O-N 2.64Å
348Q97.7Very high95.1Very high32 Ų3221.5 Ų21.515%0.1511%0.105CC..Hα-helixtrans-63.8-36.2-179.6-64.281-3.600111.5F340 E345 L346 Y352F340-Q348 HydrophobicContact CD1-CB 4.18Å; F340-Q348 HydrophobicContact CE1-CB 3.96Å; E345-Q348 HydrophobicContact CB-CB 4.45Å; E345-Q348 PolarHBondContact O-N 3.25Å; E345-Q348 PolarHBondContact O-OE1 3.33Å; L346-Q348 PolarHBondContact O-N 3.45Å; Q348-Y352 WeakPolarHBondContact O-CB 3.46Å; Q348-Y352 PolarHBondContact O-N 2.93Å
349F97.6Very high94.5Very high0 Ų025.8 Ų25.80%012%0.123CC..Hα-helixtrans-64.8-49.7174.5174.7-103.1000111.6F340 L342 E345 L346 P347 A351 Y352 F353 W376 L395 I398 A409F340-F349 HydrophobicContact CB-CB 3.98Å; F340-F349 HydrophobicContact CB-CD2 4.14Å; F340-F349 HydrophobicContact CB-CG 4.44Å; F340-F349 HydrophobicContact CD1-CB 4.36Å; F340-F349 HydrophobicContact CD2-CB 4.37Å; F340-F349 AromaticContact CD2-CD2 3.69Å; F340-F349 HydrophobicContact CD2-CD2 3.69Å; F340-F349 HydrophobicContact CE2-CD2 4.36Å; F340-F349 HydrophobicContact CG-CB 3.99Å; F340-F349 HydrophobicContact CG-CD2 4.08Å; L342-F349 HydrophobicContact CD2-CB 3.73Å; L342-F349 HydrophobicContact CD2-CD1 3.61Å; L342-F349 HydrophobicContact CD2-CD2 4.02Å; L342-F349 HydrophobicContact CD2-CE1 4.28Å; L342-F349 HydrophobicContact CD2-CG 3.47Å; L342-F349 VanDerWaalsContact CD2-CG 3.47Å; E345-F349 WeakPolarHBondContact O-CB 3.38Å; E345-F349 PolarHBondContact O-N 2.9Å; L346-F349 HydrophobicContact CD1-CD1 4.42Å; L346-F349 WeakPolarHBondContact O-CB 3.03Å; L346-F349 PolarHBondContact O-N 3.27Å; P347-F349 VanDerWaalsContact C-N 3.27Å; P347-F349 PolarHBondContact O-N 3.25Å; F349-A351 VanDerWaalsContact C-N 3.34Å; F349-A351 PolarHBondContact O-N 3.34Å; F349-Y352 PolarHBondContact O-N 3.46Å; F349-F353 HydrophobicContact CE1-CD2 4.33Å; F349-F353 HydrophobicContact CE2-CD2 4.5Å; F349-F353 HydrophobicContact CZ-CB 4.4Å; F349-F353 AromaticContact CZ-CD2 3.81Å; F349-F353 HydrophobicContact CZ-CD2 3.81Å; F349-F353 HydrophobicContact CZ-CG 4.49Å; F349-F353 VanDerWaalsContact O-CB 3.24Å; F349-F353 WeakPolarHBondContact O-CB 3.32Å; F349-F353 PolarHBondContact O-N 3.38Å; F349-W376 HydrophobicContact CD2-CH2 4.32Å; F349-W376 HydrophobicContact CD2-CZ2 4.42Å; F349-W376 HydrophobicContact CD2-CZ3 4.4Å; F349-W376 AromaticContact CE2-CD2 3.6Å; F349-W376 HydrophobicContact CE2-CD2 3.6Å; F349-W376 AromaticContact CE2-CE2 3.58Å; F349-W376 AromaticContact CE2-CE3 3.78Å; F349-W376 HydrophobicContact CE2-CE3 3.78Å; F349-W376 HydrophobicContact CE2-CG 4.16Å; F349-W376 AromaticContact CE2-CH2 3.96Å; F349-W376 HydrophobicContact CE2-CH2 3.96Å; F349-W376 AromaticContact CE2-CZ2 3.76Å; F349-W376 HydrophobicContact CE2-CZ2 3.76Å; F349-W376 AromaticContact CE2-CZ3 3.96Å; F349-W376 HydrophobicContact CE2-CZ3 3.96Å; F349-W376 HydrophobicContact CZ-CD2 4.15Å; F349-W376 HydrophobicContact CZ-CG 4.24Å; F349-L395 HydrophobicContact CD1-CD1 4.44Å; F349-L395 HydrophobicContact CE1-CD1 3.82Å; F349-I398 HydrophobicContact CD1-CG2 4.45Å; F349-I398 HydrophobicContact CE1-CB 4.35Å; F349-I398 HydrophobicContact CE1-CD1 4.06Å; F349-I398 HydrophobicContact CE1-CG2 3.6Å; F349-I398 HydrophobicContact CZ-CD1 3.67Å; F349-I398 HydrophobicContact CZ-CG2 4.03Å; F349-A409 HydrophobicContact CD2-CB 3.96Å; F349-A409 HydrophobicContact CE2-CB 3.62Å; F349-A409 HydrophobicContact CZ-CB 4.13Å
350C97.7Very high93.6Very high0 Ų026.6 Ų26.60%013%0.127CC..Hα-helixtrans-57.8-47177.2-72.20000111.2Y188 L191 L346 P347 Y352 F353 Q354Y188-C350 HydrophobicContact CD1-CB 3.86Å; Y188-C350 HydrophobicContact CE1-CB 4.44Å; L191-C350 HydrophobicContact CD1-CB 4.3Å; L346-C350 PolarHBondContact O-N 3.46Å; L346-C350 PolarHBondContact O-SG 2.82Å; L346-C350 VanDerWaalsContact O-SG 3.38Å; P347-C350 PolarHBondContact O-N 2.57Å; C350-Y352 PolarHBondContact O-N 2.93Å; C350-F353 PolarHBondContact O-N 2.65Å; C350-Q354 WeakPolarHBondContact O-CB 3.31Å; C350-Q354 WeakPolarHBondContact O-CG 3.45Å; C350-Q354 PolarHBondContact O-N 3.3Å
351A97.4Very high92.7Very high0 Ų031 Ų310%015%0.15CC..Hα-helixtrans-57.6-48.4176.300000112.3F198 E201 I203 P347 F349 S355F198-A351 VanDerWaalsContact O-CA 3.31Å; F198-A351 WeakPolarHBondContact O-CA 3.37Å; F198-A351 VanDerWaalsContact O-CB 3.27Å; F198-A351 WeakPolarHBondContact O-CB 3.46Å; E201-A351 HydrophobicContact CB-CB 3.8Å; I203-A351 HydrophobicContact CD1-CB 4.46Å; I203-A351 HydrophobicContact CG1-CB 3.76Å; P347-A351 WeakPolarHBondContact O-CB 3.14Å; P347-A351 PolarHBondContact O-N 2.64Å; F349-A351 VanDerWaalsContact C-N 3.34Å; F349-A351 PolarHBondContact O-N 3.34Å; A351-S355 WeakPolarHBondContact O-CB 3.18Å; A351-S355 PolarHBondContact O-N 3.15Å
352Y96.1Very high91.8Very high2 Ų235 Ų351%0.00818%0.178CC..Hα-helixtrans-64.5-43.4178.1-178.6-93.3000112.2I203 I327 D328 L331 V338 F340 Q348 F349 C350 N356 W376I203-Y352 HydrophobicContact CD1-CD2 4.33Å; I203-Y352 HydrophobicContact CG2-CD2 3.84Å; I203-Y352 HydrophobicContact CG2-CG 4.3Å; I327-Y352 HydrophobicContact CG2-CD2 4.43Å; I327-Y352 HydrophobicContact CG2-CE2 3.86Å; D328-Y352 WeakPolarHBondContact OD1-CE2 3.27Å; D328-Y352 PolarHBondContact OD1-OH 2.98Å; L331-Y352 HydrophobicContact CD1-CD2 3.86Å; L331-Y352 HydrophobicContact CD1-CE2 3.72Å; V338-Y352 HydrophobicContact CG1-CE1 4.4Å; F340-Y352 AromaticContact CE2-CD1 3.88Å; F340-Y352 HydrophobicContact CE2-CD1 3.88Å; F340-Y352 HydrophobicContact CE2-CE1 4.43Å; F340-Y352 AromaticContact CE2-CG 3.96Å; F340-Y352 HydrophobicContact CE2-CG 3.96Å; F340-Y352 HydrophobicContact CZ-CD1 4.3Å; F340-Y352 HydrophobicContact CZ-CD2 4.31Å; F340-Y352 AromaticContact CZ-CG 3.9Å; F340-Y352 HydrophobicContact CZ-CG 3.9Å; Q348-Y352 WeakPolarHBondContact O-CB 3.46Å; Q348-Y352 PolarHBondContact O-N 2.93Å; F349-Y352 PolarHBondContact O-N 3.46Å; C350-Y352 PolarHBondContact O-N 2.93Å; Y352-N356 WeakPolarHBondContact CE1-ND2 3.44Å; Y352-N356 WeakPolarHBondContact O-CB 3.33Å; Y352-N356 PolarHBondContact O-N 2.95Å; Y352-N356 PolarHBondContact OH-ND2 3.45Å; Y352-W376 AromaticContact CD1-CH2 3.72Å; Y352-W376 HydrophobicContact CD1-CH2 3.72Å; Y352-W376 AromaticContact CD1-CZ2 3.52Å; Y352-W376 HydrophobicContact CD1-CZ2 3.52Å; Y352-W376 AromaticContact CE1-CH2 3.55Å; Y352-W376 HydrophobicContact CE1-CH2 3.55Å; Y352-W376 AromaticContact CE1-CZ2 3.43Å; Y352-W376 HydrophobicContact CE1-CZ2 3.43Å; Y352-W376 VanDerWaalsContact CE1-CZ2 3.43Å
353F95.8Very high90.5Very high10 Ų1037.9 Ų37.94%0.04420%0.196CC..Hα-helixtrans-59.9-51179-174.4-75.9000111.1F349 C350 N356 Y357 N374 W376 D393 L395 I398F349-F353 HydrophobicContact CE1-CD2 4.33Å; F349-F353 HydrophobicContact CE2-CD2 4.5Å; F349-F353 HydrophobicContact CZ-CB 4.4Å; F349-F353 AromaticContact CZ-CD2 3.81Å; F349-F353 HydrophobicContact CZ-CD2 3.81Å; F349-F353 HydrophobicContact CZ-CG 4.49Å; F349-F353 VanDerWaalsContact O-CB 3.24Å; F349-F353 WeakPolarHBondContact O-CB 3.32Å; F349-F353 PolarHBondContact O-N 3.38Å; C350-F353 PolarHBondContact O-N 2.65Å; F353-N356 PolarHBondContact O-N 3.02Å; F353-Y357 WeakPolarHBondContact O-CB 3.33Å; F353-Y357 PolarHBondContact O-N 3.39Å; F353-N374 WeakPolarHBondContact CD1-ND2 3.26Å; F353-N374 WeakPolarHBondContact CD2-OD1 3.34Å; F353-N374 WeakPolarHBondContact CE1-ND2 3.27Å; F353-N374 WeakPolarHBondContact CE2-ND2 3.5Å; F353-N374 WeakPolarHBondContact CE2-OD1 3.46Å; F353-N374 WeakPolarHBondContact CZ-ND2 3.31Å; F353-N374 PolarHBondContact O-ND2 2.69Å; F353-N374 VanDerWaalsContact O-ND2 3.17Å; F353-W376 AromaticContact CD2-CD1 3.82Å; F353-W376 AromaticContact CD2-NE1 3.47Å; F353-W376 AromaticContact CE2-CD1 3.78Å; F353-W376 AromaticContact CE2-NE1 3.81Å; F353-D393 VanDerWaalsContact CZ-O 3.32Å; F353-D393 WeakPolarHBondContact CZ-O 3.46Å; F353-L395 HydrophobicContact CB-CD1 4.38Å; F353-L395 HydrophobicContact CD1-CB 4.01Å; F353-L395 HydrophobicContact CD1-CD1 4.07Å; F353-L395 HydrophobicContact CD1-CD2 3.83Å; F353-L395 HydrophobicContact CD1-CG 4.19Å; F353-L395 HydrophobicContact CD2-CD1 4.27Å; F353-L395 HydrophobicContact CE1-CB 3.64Å; F353-L395 HydrophobicContact CE1-CD1 4.5Å; F353-L395 HydrophobicContact CE1-CD2 4.21Å; F353-L395 HydrophobicContact CE1-CG 4.33Å; F353-L395 HydrophobicContact CE2-CB 4.47Å; F353-L395 HydrophobicContact CG-CD1 3.97Å; F353-L395 HydrophobicContact CG-CD2 4.48Å; F353-L395 HydrophobicContact CZ-CB 3.9Å; F353-I398 HydrophobicContact CD2-CD1 4.38Å; F353-I398 HydrophobicContact CE2-CD1 4.04Å
354Q95.7Very high88.8Confident24 Ų2442.8 Ų42.811%0.11222%0.22CC..Hα-helixtrans-70.4-38.7-179.2-69.3174-42.900111.8E196 F198 C350 N356 Y357 N358 L395E196-Q354 PolarHBondContact O-NE2 3.06Å; F198-Q354 VanDerWaalsContact CA-OE1 3.31Å; F198-Q354 VanDerWaalsContact CB-OE1 3.26Å; C350-Q354 WeakPolarHBondContact O-CB 3.31Å; C350-Q354 WeakPolarHBondContact O-CG 3.45Å; C350-Q354 PolarHBondContact O-N 3.3Å; Q354-N356 VanDerWaalsContact C-N 3.31Å; Q354-N356 PolarHBondContact O-N 3.02Å; Q354-Y357 WeakPolarHBondContact O-CB 3.18Å; Q354-Y357 PolarHBondContact O-N 3.21Å; Q354-N358 WeakPolarHBondContact O-CB 3.28Å; Q354-N358 VanDerWaalsContact O-CG 3.26Å; Q354-N358 PolarHBondContact O-N 2.84Å; Q354-L395 HydrophobicContact CG-CD2 4.08Å
355S93Very high86.9Confident20 Ų2043.9 Ų43.914%0.1423%0.228CC..Hα-helixtrans-58.2-43.5173.7-173.20000111.9A351 N358 K359A351-S355 WeakPolarHBondContact O-CB 3.18Å; A351-S355 PolarHBondContact O-N 3.15Å; S355-N358 PolarHBondContact O-N 2.69Å; S355-K359 VanDerWaalsContact O-CG 3.28Å; S355-K359 WeakPolarHBondContact O-CG 3.39Å; S355-K359 PolarHBondContact O-N 3.08Å; S355-K359 VanDerWaalsContact O-N 3.08Å; S355-K359 PolarHBondContact OG-NZ 3.11Å
356N90.7Very high84.6Confident19 Ų1952 Ų5210%0.10227%0.266CS..Hα-helixtrans-67.4-41.7175.5-77.8-12.8000112Y352 F353 Q354 N358 K359 I360Y352-N356 WeakPolarHBondContact CE1-ND2 3.44Å; Y352-N356 WeakPolarHBondContact O-CB 3.33Å; Y352-N356 PolarHBondContact O-N 2.95Å; Y352-N356 PolarHBondContact OH-ND2 3.45Å; F353-N356 PolarHBondContact O-N 3.02Å; Q354-N356 VanDerWaalsContact C-N 3.31Å; Q354-N356 PolarHBondContact O-N 3.02Å; N356-N358 VanDerWaalsContact C-N 3.35Å; N356-N358 PolarHBondContact O-N 3.09Å; N356-K359 PolarHBondContact O-N 2.64Å; N356-I360 WeakPolarHBondContact O-CD1 3.47Å; N356-I360 WeakPolarHBondContact O-CG1 3.24Å; N356-I360 PolarHBondContact O-N 2.97Å
357Y88.1Confident82.3Confident125 Ų12557.7 Ų57.749%0.4930%0.303SS..Hα-helixtrans-56.5-47.1174.5-171.1-104.7000112.1F353 Q354 K359 I360 I361F353-Y357 WeakPolarHBondContact O-CB 3.33Å; F353-Y357 PolarHBondContact O-N 3.39Å; Q354-Y357 WeakPolarHBondContact O-CB 3.18Å; Q354-Y357 PolarHBondContact O-N 3.21Å; Y357-K359 VanDerWaalsContact C-N 3.35Å; Y357-K359 PolarHBondContact O-N 2.93Å; Y357-I360 WeakPolarHBondContact O-CB 3.49Å; Y357-I360 PolarHBondContact O-N 2.95Å; Y357-I360 VanDerWaalsContact O-N 3.13Å; Y357-I361 HydrophobicContact CD1-CD1 3.69Å; Y357-I361 HydrophobicContact CE1-CD1 3.17Å; Y357-I361 HydrophobicContact CE1-CG1 4.28Å; Y357-I361 HydrophobicContact CE2-CD1 4.32Å; Y357-I361 HydrophobicContact CG-CD1 4.46Å; Y357-I361 PolarHBondContact O-N 3.2Å
358N88.1Confident79.7Confident62 Ų6257.7 Ų57.733%0.33231%0.306SS..Hα-helixtrans-64.8-36.8178.7-67.4-9000112.3S199 Q354 S355 N356 S362S199-N358 WeakPolarHBondContact CB-ND2 3.39Å; S199-N358 PolarHBondContact OG-ND2 3.32Å; S199-N358 VanDerWaalsContact OG-ND2 3.1Å; Q354-N358 WeakPolarHBondContact O-CB 3.28Å; Q354-N358 VanDerWaalsContact O-CG 3.26Å; Q354-N358 PolarHBondContact O-N 2.84Å; S355-N358 PolarHBondContact O-N 2.69Å; N356-N358 VanDerWaalsContact C-N 3.35Å; N356-N358 PolarHBondContact O-N 3.09Å; N358-S362 WeakPolarHBondContact O-CB 3.48Å; N358-S362 PolarHBondContact O-N 2.73Å; N358-S362 PolarHBondContact O-OG 3.18Å
359K84.3Confident77.2Confident93 Ų9363.9 Ų63.940%0.40433%0.328SS..Hα-helixtrans-64.6-41.6172.2-71167.3-167.3165.50111.8S355 N356 Y357 S362 T363S355-K359 VanDerWaalsContact O-CG 3.28Å; S355-K359 WeakPolarHBondContact O-CG 3.39Å; S355-K359 PolarHBondContact O-N 3.08Å; S355-K359 VanDerWaalsContact O-N 3.08Å; S355-K359 PolarHBondContact OG-NZ 3.11Å; N356-K359 PolarHBondContact O-N 2.64Å; Y357-K359 VanDerWaalsContact C-N 3.35Å; Y357-K359 PolarHBondContact O-N 2.93Å; K359-S362 WeakPolarHBondContact CA-OG 2.99Å; K359-S362 PolarHBondContact O-OG 3Å; K359-S362 VanDerWaalsContact O-OG 3.13Å; K359-T363 VanDerWaalsContact O-CG2 3.24Å; K359-T363 WeakPolarHBondContact O-CG2 3.48Å; K359-T363 PolarHBondContact O-N 2.87Å; K359-T363 PolarHBondContact O-OG1 3.47Å; K359-T363 VanDerWaalsContact O-OG1 3.09Å
360I78.9Confident74.8Confident23 Ų2365.9 Ų65.912%0.11834%0.339CS..Hα-helixtrans-59.8-53.1178.2-66.8154.8000109.5N356 Y357 S362 T363 N370 D371 N374N356-I360 WeakPolarHBondContact O-CD1 3.47Å; N356-I360 WeakPolarHBondContact O-CG1 3.24Å; N356-I360 PolarHBondContact O-N 2.97Å; Y357-I360 WeakPolarHBondContact O-CB 3.49Å; Y357-I360 PolarHBondContact O-N 2.95Å; Y357-I360 VanDerWaalsContact O-N 3.13Å; I360-S362 PolarHBondContact O-N 2.97Å; I360-T363 PolarHBondContact O-N 2.83Å; I360-T363 PolarHBondContact O-OG1 2.94Å; I360-N370 HydrophobicContact CB-CB 4.18Å; I360-N370 WeakPolarHBondContact CD1-O 3.15Å; I360-N370 HydrophobicContact CG1-CB 3.58Å; I360-N370 HydrophobicContact CG2-CB 4.2Å; I360-D371 WeakPolarHBondContact CG2-OD1 3.43Å; I360-N374 HydrophobicContact CD1-CB 4.01Å
361I78.6Confident72.6Confident94 Ų9469.3 Ų69.348%0.48236%0.357SS..Hα-helixtrans-60.4-49-179-67.9174.3000111.7Y357 T363 N364Y357-I361 HydrophobicContact CD1-CD1 3.69Å; Y357-I361 HydrophobicContact CE1-CD1 3.17Å; Y357-I361 HydrophobicContact CE1-CG1 4.28Å; Y357-I361 HydrophobicContact CE2-CD1 4.32Å; Y357-I361 HydrophobicContact CG-CD1 4.46Å; Y357-I361 PolarHBondContact O-N 3.2Å; I361-T363 PolarHBondContact O-N 3.26Å; I361-N364 PolarHBondContact O-N 3.32Å
362S76.3Confident71Confident89 Ų8974.1 Ų74.162%0.62238%0.375SS*.Hα-helixtrans-64.9-26.8-175.754.70000114N358 K359 I360 N364N358-S362 WeakPolarHBondContact O-CB 3.48Å; N358-S362 PolarHBondContact O-N 2.73Å; N358-S362 PolarHBondContact O-OG 3.18Å; K359-S362 WeakPolarHBondContact CA-OG 2.99Å; K359-S362 PolarHBondContact O-OG 3Å; K359-S362 VanDerWaalsContact O-OG 3.13Å; I360-S362 PolarHBondContact O-N 2.97Å; S362-N364 VanDerWaalsContact C-N 3.31Å; S362-N364 PolarHBondContact O-N 2.93Å
363T68.8Low69.8Low62 Ų6278 Ų7838%0.3839%0.393SS..THydrogen-bonded Turntrans-75.1-13.8-176.853.60000114.5K359 I360 I361 E365 N370K359-T363 VanDerWaalsContact O-CG2 3.24Å; K359-T363 WeakPolarHBondContact O-CG2 3.48Å; K359-T363 PolarHBondContact O-N 2.87Å; K359-T363 PolarHBondContact O-OG1 3.47Å; K359-T363 VanDerWaalsContact O-OG1 3.09Å; I360-T363 PolarHBondContact O-N 2.83Å; I360-T363 PolarHBondContact O-OG1 2.94Å; I361-T363 PolarHBondContact O-N 3.26Å; T363-E365 PolarHBondContact O-N 3.05Å; T363-N370 PolarHBondContact OG1-ND2 3.36Å; T363-N370 VanDerWaalsContact OG1-ND2 3.09Å
364N56.3Low69.5Low158 Ų15877.8 Ų77.885%0.84539%0.393SS*.  trans45.616.6-173.2-83.4-26.9000113.5I361 S362I361-N364 PolarHBondContact O-N 3.32Å; S362-N364 VanDerWaalsContact C-N 3.31Å; S362-N364 PolarHBondContact O-N 2.93Å
365E52.9Low69.4Low85 Ų8577 Ų7740%0.39739%0.389SS..  trans-66142.7176.2-77-168.8173.800107.1T363T363-E365 PolarHBondContact O-N 3.05Å
366E49.5Very low69.5Low171 Ų17176 Ų7680%0.79938%0.382SS*.  trans-43.9131.8-179.8-73.2-172.7165.200110.3G368 R369E366-G368 PolarHBondContact O-N 2.99Å; E366-R369 PolarHBondContact O-N 2.79Å
367P46.4Very low69.7Low122 Ų12276 Ų7679%0.79238%0.382SS*.THydrogen-bonded Turntrans-44.7121175.7-27.132.7000109.2D371P367-D371 WeakPolarHBondContact CA-OD2 3.29Å
368G44.1Very low70Confident20 Ų2070.1 Ų70.121%0.20636%0.359CS..THydrogen-bonded Turntrans114.5-5.8177.800000118.5E366 D371 R372E366-G368 PolarHBondContact O-N 2.99Å; G368-D371 PolarHBondContact N-OD2 3.24Å; G368-R372 WeakPolarHBondContact O-CD 3.43Å; G368-R372 VanDerWaalsContact O-CG 3.25Å; G368-R372 WeakPolarHBondContact O-CG 3.38Å; G368-R372 PolarHBondContact O-NE 3.35Å
369R45.9Very low70.2Confident162 Ų16268 Ų6861%0.61135%0.347SS*.SBendtrans-85.7-55.1165.2-166178.7177.1-172.4-3.2111.4E366E366-R369 PolarHBondContact O-N 2.79Å
370N46.2Very low70.3Confident42 Ų4263.7 Ų63.723%0.22533%0.329CS..SBendtrans-83.6-31.8-179.9-79-18.7000112.6I360 T363 R372 H373I360-N370 HydrophobicContact CB-CB 4.18Å; I360-N370 WeakPolarHBondContact CD1-O 3.15Å; I360-N370 HydrophobicContact CG1-CB 3.58Å; I360-N370 HydrophobicContact CG2-CB 4.2Å; T363-N370 PolarHBondContact OG1-ND2 3.36Å; T363-N370 VanDerWaalsContact OG1-ND2 3.09Å; N370-R372 PolarHBondContact O-N 3.09Å; N370-H373 PolarHBondContact O-N 3.38Å
371D51.5Low70Confident73 Ų7364.4 Ų64.439%0.3933%0.33SS..G310 helixtrans-50.8-30.5174.5-76.3-39000112.8I360 P367 G368 H373 N374I360-D371 WeakPolarHBondContact CG2-OD1 3.43Å; P367-D371 WeakPolarHBondContact CA-OD2 3.29Å; G368-D371 PolarHBondContact N-OD2 3.24Å; D371-H373 PolarHBondContact O-N 2.79Å; D371-N374 PolarHBondContact O-N 2.97Å
372R63.2Low69.5Low101 Ų10163.2 Ų63.238%0.38132%0.324SS..G310 helixtrans-64.6-21179.7-69-176.4-163.3-173.611.3113.5G368 N370 T414 L463G368-R372 WeakPolarHBondContact O-CD 3.43Å; G368-R372 VanDerWaalsContact O-CG 3.25Å; G368-R372 WeakPolarHBondContact O-CG 3.38Å; G368-R372 PolarHBondContact O-NE 3.35Å; N370-R372 PolarHBondContact O-N 3.09Å; R372-T414 HydrophobicContact CB-CG2 3.95Å; R372-T414 HydrophobicContact CG-CG2 4.46Å; R372-T414 WeakPolarHBondContact O-CG2 3.49Å; R372-L463 HydrophobicContact CG-CD1 3.99Å
373H70.7Confident68.9Low82 Ų8259.6 Ų59.638%0.3830%0.298SS..G310 helixtrans-85.2-15.3-176.2-69.8-64.9000114.2N370 D371N370-H373 PolarHBondContact O-N 3.38Å; D371-H373 PolarHBondContact O-N 2.79Å
374N89.5Confident68.6Low7 Ų758.6 Ų58.64%0.03730%0.299CS..G310 helixtrans-104.521.2-178.7-147.820.9000114.2F353 I360 D371 W376F353-N374 WeakPolarHBondContact CD1-ND2 3.26Å; F353-N374 WeakPolarHBondContact CD2-OD1 3.34Å; F353-N374 WeakPolarHBondContact CE1-ND2 3.27Å; F353-N374 WeakPolarHBondContact CE2-ND2 3.5Å; F353-N374 WeakPolarHBondContact CE2-OD1 3.46Å; F353-N374 WeakPolarHBondContact CZ-ND2 3.31Å; F353-N374 PolarHBondContact O-ND2 2.69Å; F353-N374 VanDerWaalsContact O-ND2 3.17Å; I360-N374 HydrophobicContact CD1-CB 4.01Å; D371-N374 PolarHBondContact O-N 2.97Å; N374-W376 PolarHBondContact O-NE1 2.93Å; N374-W376 PolarHBondContact OD1-NE1 2.91Å
375L94Very high68.8Low7 Ų759.1 Ų59.14%0.03729%0.29CS..  trans-95128.9173.2-174.863.3000110.3I391 D393 Y412 T414 L463 F466L375-I391 HydrophobicContact CD1-CG2 3.9Å; L375-I391 HydrophobicContact CD2-CG2 4.3Å; L375-I391 HydrophobicContact CG-CG2 4.08Å; L375-D393 HydrophobicContact CD1-CB 3.95Å; L375-Y412 HydrophobicContact CD2-CD1 3.45Å; L375-Y412 VanDerWaalsContact CD2-CD1 3.45Å; L375-Y412 HydrophobicContact CD2-CE1 4.09Å; L375-Y412 HydrophobicContact CD2-CG 4.14Å; L375-Y412 HydrophobicContact CG-CD1 4.06Å; L375-Y412 HydrophobicContact CG-CG 4.26Å; L375-Y412 VanDerWaalsContact O-CB 3.3Å; L375-Y412 WeakPolarHBondContact O-CB 3.43Å; L375-Y412 PolarHBondContact O-N 3.11Å; L375-T414 HydrophobicContact CB-CG2 4.28Å; L375-T414 HydrophobicContact CD2-CG2 4.04Å; L375-L463 HydrophobicContact CD2-CD2 4.43Å; L375-F466 HydrophobicContact CD1-CD1 4.33Å; L375-F466 HydrophobicContact CD1-CD2 4.13Å; L375-F466 HydrophobicContact CD1-CE1 4.01Å; L375-F466 HydrophobicContact CD1-CE2 3.77Å; L375-F466 HydrophobicContact CD1-CG 4.4Å; L375-F466 HydrophobicContact CD1-CZ 3.72Å; L375-F466 HydrophobicContact CD2-CD1 4.11Å; L375-F466 HydrophobicContact CD2-CE1 3.32Å; L375-F466 HydrophobicContact CD2-CE2 4.39Å; L375-F466 HydrophobicContact CD2-CZ 3.5Å; L375-F466 VanDerWaalsContact CD2-CZ 3.5Å; L375-F466 HydrophobicContact CG-CE1 4.31Å; L375-F466 HydrophobicContact CG-CZ 4.29Å
376W95.8Very high69.1Low0 Ų056 Ų560%028%0.28CS..EExtended strand (participates in β ladder)trans-122.3145.8-171.5-63.887.6000112V338 F340 F349 Y352 F353 N374 I391 T392 I398 A409 R411V338-W376 HydrophobicContact CG1-CH2 4.32Å; F340-W376 AromaticContact CD2-CH2 3.91Å; F340-W376 HydrophobicContact CD2-CH2 3.91Å; F340-W376 HydrophobicContact CD2-CZ3 4.02Å; F340-W376 AromaticContact CE2-CH2 3.81Å; F340-W376 HydrophobicContact CE2-CH2 3.81Å; F340-W376 HydrophobicContact CE2-CZ3 4.36Å; F349-W376 HydrophobicContact CD2-CH2 4.32Å; F349-W376 HydrophobicContact CD2-CZ2 4.42Å; F349-W376 HydrophobicContact CD2-CZ3 4.4Å; F349-W376 AromaticContact CE2-CD2 3.6Å; F349-W376 HydrophobicContact CE2-CD2 3.6Å; F349-W376 AromaticContact CE2-CE2 3.58Å; F349-W376 AromaticContact CE2-CE3 3.78Å; F349-W376 HydrophobicContact CE2-CE3 3.78Å; F349-W376 HydrophobicContact CE2-CG 4.16Å; F349-W376 AromaticContact CE2-CH2 3.96Å; F349-W376 HydrophobicContact CE2-CH2 3.96Å; F349-W376 AromaticContact CE2-CZ2 3.76Å; F349-W376 HydrophobicContact CE2-CZ2 3.76Å; F349-W376 AromaticContact CE2-CZ3 3.96Å; F349-W376 HydrophobicContact CE2-CZ3 3.96Å; F349-W376 HydrophobicContact CZ-CD2 4.15Å; F349-W376 HydrophobicContact CZ-CG 4.24Å; Y352-W376 AromaticContact CD1-CH2 3.72Å; Y352-W376 HydrophobicContact CD1-CH2 3.72Å; Y352-W376 AromaticContact CD1-CZ2 3.52Å; Y352-W376 HydrophobicContact CD1-CZ2 3.52Å; Y352-W376 AromaticContact CE1-CH2 3.55Å; Y352-W376 HydrophobicContact CE1-CH2 3.55Å; Y352-W376 AromaticContact CE1-CZ2 3.43Å; Y352-W376 HydrophobicContact CE1-CZ2 3.43Å; Y352-W376 VanDerWaalsContact CE1-CZ2 3.43Å; F353-W376 AromaticContact CD2-CD1 3.82Å; F353-W376 AromaticContact CD2-NE1 3.47Å; F353-W376 AromaticContact CE2-CD1 3.78Å; F353-W376 AromaticContact CE2-NE1 3.81Å; N374-W376 PolarHBondContact O-NE1 2.93Å; N374-W376 PolarHBondContact OD1-NE1 2.91Å; W376-I391 CarbonylContact O-C 3.59Å; W376-I391 VanDerWaalsContact O-CA 3.24Å; W376-I391 WeakPolarHBondContact O-CA 3.4Å; W376-T392 PolarHBondContact N-O 3.31Å; W376-T392 PolarHBondContact O-N 3.13Å; W376-I398 HydrophobicContact CB-CD1 4.18Å; W376-I398 HydrophobicContact CG-CD1 4.32Å; W376-A409 HydrophobicContact CD2-CB 4.43Å; W376-A409 HydrophobicContact CE3-CB 3.77Å; W376-A409 HydrophobicContact CZ3-CB 4.31Å; W376-A409 WeakPolarHBondContact CZ3-O 3.45Å; W376-R411 HydrophobicContact CE3-CB 4.43Å; W376-R411 HydrophobicContact CZ3-CB 4.22Å
377I94.9Very high70Confident19 Ų1951.5 Ų51.510%0.09726%0.264CS..EExtended strand (participates in β ladder)trans-109.8110.6168.3-177.5168.7000109.1K379 I389 V390 I391 S410 Y412 Y473I377-K379 HydrophobicContact CG1-CG 4.16Å; I377-I389 HydrophobicContact CD1-CG2 3.64Å; I377-I389 HydrophobicContact CG1-CG2 3.39Å; I377-V390 CarbonylContact C-O 3.58Å; I377-V390 WeakPolarHBondContact CA-O 3.27Å; I377-I391 HydrophobicContact CB-CG1 4.06Å; I377-I391 HydrophobicContact CD1-CD1 4.38Å; I377-I391 HydrophobicContact CD1-CG1 4.11Å; I377-I391 HydrophobicContact CG1-CG1 3.9Å; I377-S410 VanDerWaalsContact CG2-O 3.26Å; I377-S410 WeakPolarHBondContact CG2-O 3.46Å; I377-S410 PolarHBondContact N-O 2.67Å; I377-S410 PolarHBondContact O-N 3.07Å; I377-Y412 HydrophobicContact CB-CD2 3.99Å; I377-Y412 HydrophobicContact CD1-CD2 4.36Å; I377-Y412 HydrophobicContact CG2-CD2 4.21Å; I377-Y473 HydrophobicContact CD1-CE1 4.33Å
378L94.5Very high71.5Confident0 Ų047.6 Ų47.60%025%0.246CC..EExtended strand (participates in β ladder)trans-82.8123.7176.2-48.7-178.3000108.8L342 I389 V390 I398 T401 M407 I408 A409L342-L378 HydrophobicContact CD1-CD2 3.97Å; L378-I389 VanDerWaalsContact O-CA 3.3Å; L378-I389 WeakPolarHBondContact O-CA 3.34Å; L378-I389 WeakPolarHBondContact O-CG2 2.93Å; L378-V390 HydrophobicContact CB-CB 4.22Å; L378-V390 HydrophobicContact CD1-CB 4.22Å; L378-V390 HydrophobicContact CD1-CG1 4.12Å; L378-V390 HydrophobicContact CG-CB 4.41Å; L378-V390 PolarHBondContact N-O 3.46Å; L378-V390 PolarHBondContact O-N 2.9Å; L378-V390 VanDerWaalsContact O-N 3.12Å; L378-I398 HydrophobicContact CD1-CB 4.24Å; L378-I398 HydrophobicContact CD1-CG1 4.04Å; L378-I398 HydrophobicContact CD1-CG2 4.12Å; L378-I398 HydrophobicContact CD2-CB 4.5Å; L378-I398 HydrophobicContact CD2-CG1 4.14Å; L378-I398 HydrophobicContact CD2-CG2 3.79Å; L378-I398 HydrophobicContact CG-CG1 4.46Å; L378-T401 HydrophobicContact CD1-CG2 3.91Å; L378-M407 HydrophobicContact CB-CE 3.58Å; L378-I408 CarbonylContact C-O 3.39Å; L378-I408 VanDerWaalsContact CA-O 3.27Å; L378-I408 WeakPolarHBondContact CA-O 3.2Å; L378-A409 HydrophobicContact CD2-CB 3.71Å
379K91.9Very high73.5Confident18 Ų1848.3 Ų48.38%0.07825%0.245CC..EExtended strand (participates in β ladder)trans-122.2132.3178.1-55.9177.1-174.5167.40109.9K300 I377 I389 M407 I408 C568K300-K379 HydrophobicContact CD-CB 4.35Å; K300-K379 HydrophobicContact CD-CD 4.44Å; I377-K379 HydrophobicContact CG1-CG 4.16Å; K379-I389 HydrophobicContact CG-CD1 4.28Å; K379-I389 HydrophobicContact CG-CG1 4.41Å; K379-I389 HydrophobicContact CG-CG2 4.34Å; K379-M407 WeakPolarHBondContact O-CA 3.36Å; K379-I408 HydrophobicContact CB-CD1 4.26Å; K379-I408 HydrophobicContact CB-CG1 3.86Å; K379-I408 HydrophobicContact CD-CD1 4.43Å; K379-I408 PolarHBondContact N-O 2.91Å; K379-I408 WeakPolarHBondContact O-CG1 3.41Å; K379-I408 PolarHBondContact O-N 2.82Å; K379-C568 PolarHBondContact NZ-O 2.98Å
380P86.4Confident75.5Confident3 Ų341.5 Ų41.52%0.01922%0.222CC..EExtended strand (participates in β ladder)trans-67.7140.4170.5-9.523.6000109.8N382 L383 M407P380-N382 VanDerWaalsContact C-N 3.3Å; P380-N382 PolarHBondContact O-N 2.82Å; P380-L383 HydrophobicContact CB-CB 3.91Å; P380-L383 HydrophobicContact CB-CD1 3.94Å; P380-L383 HydrophobicContact CB-CG 4.02Å; P380-L383 HydrophobicContact CG-CB 4.04Å; P380-L383 HydrophobicContact CG-CD1 3.85Å; P380-L383 HydrophobicContact CG-CG 4.33Å; P380-M407 WeakPolarHBondContact CA-SD 3.49Å; P380-M407 HydrophobicContact CB-SD 3.78Å; P380-M407 HydrophobicContact CG-CE 3.92Å; P380-M407 HydrophobicContact CG-SD 3.71Å
381W72.7Confident77.7Confident38 Ų3839.6 Ų39.614%0.14421%0.211CC..SBendtrans-68.8-23.7-176.660-2.4000114.6Y344 P406Y344-W381 HydrophobicContact CE2-CZ3 4.38Å; W381-P406 HydrophobicContact CD2-CB 3.63Å; W381-P406 HydrophobicContact CD2-CG 4.43Å; W381-P406 VanDerWaalsContact CE2-CG 3.45Å; W381-P406 HydrophobicContact CE3-CB 4.2Å; W381-P406 HydrophobicContact CG-CB 4.1Å; W381-P406 HydrophobicContact CH2-CB 3.88Å; W381-P406 HydrophobicContact CH2-CG 4.18Å; W381-P406 HydrophobicContact CZ2-CB 3.29Å; W381-P406 HydrophobicContact CZ2-CG 3.31Å; W381-P406 HydrophobicContact CZ3-CB 4.31Å; W381-P406 PolarHBondContact N-O 2.97Å; W381-P406 VanDerWaalsContact NE1-CB 3.32Å
382N69Low79.7Confident68 Ų6836.3 Ų36.336%0.36419%0.194SC..SBendtrans-125.53.4-171.262.5-8.6000114.5E119 P380E119-N382 PolarHBondContact OE1-ND2 2.9Å; E119-N382 PolarHBondContact OE2-ND2 2.82Å; P380-N382 VanDerWaalsContact C-N 3.3Å; P380-N382 PolarHBondContact O-N 2.82Å
383L62.9Low81.1Confident14 Ų1435.9 Ų35.97%0.07320%0.199CC..  trans-98.2160.5169.8-62.5176.4000110.9V117 E119 L120 K300 P380 V387V117-L383 HydrophobicContact CG1-CD2 3.94Å; E119-L383 HydrophobicContact CB-CD1 4Å; E119-L383 HydrophobicContact CB-CD2 3.87Å; E119-L383 HydrophobicContact CB-CG 3.95Å; L120-L383 HydrophobicContact CD2-CD2 3.9Å; L120-L383 HydrophobicContact CG-CD2 4.33Å; K300-L383 PolarHBondContact NZ-O 3.07Å; P380-L383 HydrophobicContact CB-CB 3.91Å; P380-L383 HydrophobicContact CB-CD1 3.94Å; P380-L383 HydrophobicContact CB-CG 4.02Å; P380-L383 HydrophobicContact CG-CB 4.04Å; P380-L383 HydrophobicContact CG-CD1 3.85Å; P380-L383 HydrophobicContact CG-CG 4.33Å; L383-V387 HydrophobicContact CD1-CG1 4.33Å
384G62.3Low82.1Confident40 Ų4032.9 Ų32.941%0.41219%0.186SC..  trans-133-179.4178.900000112.3G386 V387G384-G386 VanDerWaalsContact C-N 3.28Å; G384-G386 PolarHBondContact O-N 3.19Å; G384-V387 PolarHBondContact O-N 3.38Å
385R60.9Low82.4Confident169 Ų16933.4 Ų33.464%0.63819%0.189SC*.THydrogen-bonded Turntrans59.630.5172.7-52.2178.1-177160.70.7115V387 Y478R385-V387 PolarHBondContact O-N 3.15Å; R385-Y478 HydrophobicContact CB-CD2 4.16Å; R385-Y478 HydrophobicContact CB-CE2 4.41Å; R385-Y478 HydrophobicContact CG-CD2 4.16Å; R385-Y478 HydrophobicContact CG-CE2 3.97Å
386G58.7Low82.4Confident19 Ų1935.4 Ų35.420%0.19620%0.199CC..THydrogen-bonded Turntrans77.71.4178.900000115G384 G388 I389G384-G386 VanDerWaalsContact C-N 3.28Å; G384-G386 PolarHBondContact O-N 3.19Å; G386-G388 PolarHBondContact O-N 2.93Å; G386-I389 PolarHBondContact O-N 3.27Å
387V68.7Low82.3Confident78 Ų7836.1 Ų36.147%0.47320%0.202SC..THydrogen-bonded Turntrans-72.2130.5-178.9-1780000110L383 G384 R385 I389L383-V387 HydrophobicContact CD1-CG1 4.33Å; G384-V387 PolarHBondContact O-N 3.38Å; R385-V387 PolarHBondContact O-N 3.15Å; V387-I389 PolarHBondContact O-N 2.9Å
388G77.2Confident82.4Confident40 Ų4035.2 Ų35.241%0.41220%0.197SC..THydrogen-bonded Turntrans747.1179.500000114.7G386 M407G386-G388 PolarHBondContact O-N 2.93Å; G388-M407 WeakPolarHBondContact O-CE 3.42Å
389I85.7Confident82.4Confident35 Ų3535.2 Ų35.218%0.17920%0.197CC..  trans-77.5133.2176.4-55.7-173000109.8I377 L378 K379 G386 V387 Y473I377-I389 HydrophobicContact CD1-CG2 3.64Å; I377-I389 HydrophobicContact CG1-CG2 3.39Å; L378-I389 VanDerWaalsContact O-CA 3.3Å; L378-I389 WeakPolarHBondContact O-CA 3.34Å; L378-I389 WeakPolarHBondContact O-CG2 2.93Å; K379-I389 HydrophobicContact CG-CD1 4.28Å; K379-I389 HydrophobicContact CG-CG1 4.41Å; K379-I389 HydrophobicContact CG-CG2 4.34Å; G386-I389 PolarHBondContact O-N 3.27Å; V387-I389 PolarHBondContact O-N 2.9Å; I389-Y473 HydrophobicContact CB-CE1 4.01Å; I389-Y473 HydrophobicContact CD1-CE1 4.46Å; I389-Y473 HydrophobicContact CG2-CE1 3.61Å; I389-Y473 WeakPolarHBondContact CG2-OH 3.37Å; I389-Y473 PolarHBondContact O-OH 2.88Å
390V88.6Confident82.4Confident19 Ų1934.8 Ų34.812%0.11520%0.196CC..EExtended strand (participates in β ladder)trans-126.4135.7179.6165.80000108.5I377 L378 T392 R397 T401I377-V390 CarbonylContact C-O 3.58Å; I377-V390 WeakPolarHBondContact CA-O 3.27Å; L378-V390 HydrophobicContact CB-CB 4.22Å; L378-V390 HydrophobicContact CD1-CB 4.22Å; L378-V390 HydrophobicContact CD1-CG1 4.12Å; L378-V390 HydrophobicContact CG-CB 4.41Å; L378-V390 PolarHBondContact N-O 3.46Å; L378-V390 PolarHBondContact O-N 2.9Å; L378-V390 VanDerWaalsContact O-N 3.12Å; V390-T392 HydrophobicContact CG1-CG2 3.99Å; V390-R397 VanDerWaalsContact CG1-NH2 3.35Å; V390-T401 HydrophobicContact CG2-CG2 4.49Å
391I92.9Very high82.5Confident1 Ų135.5 Ų35.51%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-113.1124.9171.5-61.8161.5000107.6L375 W376 I377 Y412 F466 H472 Y473L375-I391 HydrophobicContact CD1-CG2 3.9Å; L375-I391 HydrophobicContact CD2-CG2 4.3Å; L375-I391 HydrophobicContact CG-CG2 4.08Å; W376-I391 CarbonylContact O-C 3.59Å; W376-I391 VanDerWaalsContact O-CA 3.24Å; W376-I391 WeakPolarHBondContact O-CA 3.4Å; I377-I391 HydrophobicContact CB-CG1 4.06Å; I377-I391 HydrophobicContact CD1-CD1 4.38Å; I377-I391 HydrophobicContact CD1-CG1 4.11Å; I377-I391 HydrophobicContact CG1-CG1 3.9Å; I391-Y412 HydrophobicContact CD1-CD2 4.04Å; I391-Y412 HydrophobicContact CD1-CE2 3.49Å; I391-Y412 VanDerWaalsContact CD1-CE2 3.49Å; I391-Y412 HydrophobicContact CG1-CD2 4.1Å; I391-Y412 HydrophobicContact CG1-CE2 4.08Å; I391-Y412 HydrophobicContact CG2-CD2 4.12Å; I391-Y412 HydrophobicContact CG2-CE2 4.36Å; I391-Y412 HydrophobicContact CG2-CG 4.18Å; I391-F466 HydrophobicContact CB-CB 4.03Å; I391-F466 HydrophobicContact CG2-CB 3.98Å; I391-F466 HydrophobicContact CG2-CD1 3.69Å; I391-F466 HydrophobicContact CG2-CE1 4.45Å; I391-F466 HydrophobicContact CG2-CG 3.93Å; I391-F466 WeakPolarHBondContact O-CB 3.38Å; I391-H472 HydrophobicContact CD1-CB 3.53Å; I391-Y473 HydrophobicContact CD1-CE1 4.14Å
392T92.8Very high83.1Confident4 Ų434.4 Ų34.43%0.02520%0.197CC..EExtended strand (participates in β ladder)trans-164.1151.6-178.1-171.30000112.4W376 V390 N394 R397 I398W376-T392 PolarHBondContact N-O 3.31Å; W376-T392 PolarHBondContact O-N 3.13Å; V390-T392 HydrophobicContact CG1-CG2 3.99Å; T392-N394 WeakPolarHBondContact OG1-CB 3.46Å; T392-N394 PolarHBondContact OG1-N 3.31Å; T392-R397 HydrophobicContact CG2-CB 4.35Å; T392-R397 HydrophobicContact CG2-CG 4.12Å; T392-R397 WeakPolarHBondContact OG1-CD 3.2Å; T392-I398 HydrophobicContact CG2-CD1 4.09Å; T392-I398 HydrophobicContact CG2-CG1 3.48Å; T392-I398 VanDerWaalsContact CG2-CG1 3.48Å
393D92.4Very high83.7Confident92 Ų9232 Ų3249%0.49219%0.185SC..SBendtrans-108.815170.559.7-10000111.4F353 L375F353-D393 VanDerWaalsContact CZ-O 3.32Å; F353-D393 WeakPolarHBondContact CZ-O 3.46Å; L375-D393 HydrophobicContact CD1-CB 3.95Å
394N93Very high84.4Confident19 Ų1932 Ų3210%0.10219%0.189CC..  trans-103.6110.6-179-179.6-44000109.3K94 T392 D396 R397 I398K94-N394 PolarHBondContact O-ND2 2.93Å; T392-N394 WeakPolarHBondContact OG1-CB 3.46Å; T392-N394 PolarHBondContact OG1-N 3.31Å; N394-D396 VanDerWaalsContact C-N 3.3Å; N394-D396 PolarHBondContact O-N 3.06Å; N394-D396 WeakPolarHBondContact OD1-CA 3.29Å; N394-D396 VanDerWaalsContact OD1-CB 3.31Å; N394-D396 WeakPolarHBondContact OD1-CB 3.4Å; N394-D396 PolarHBondContact OD1-N 3.36Å; N394-R397 HydrophobicContact CB-CB 3.94Å; N394-R397 WeakPolarHBondContact O-CB 3.44Å; N394-R397 PolarHBondContact O-N 3.43Å; N394-R397 PolarHBondContact OD1-N 2.85Å; N394-I398 VanDerWaalsContact O-CG1 3.32Å; N394-I398 WeakPolarHBondContact O-CG1 3.39Å; N394-I398 PolarHBondContact O-N 3.2Å
395L95.2Very high85.2Confident19 Ų1931 Ų3110%0.09917%0.174CC..Hα-helixtrans-58.3-42-178-174.353.7000112.1L191 F349 F353 Q354 R397 I398 I399L191-L395 HydrophobicContact CD1-CD2 4.08Å; F349-L395 HydrophobicContact CD1-CD1 4.44Å; F349-L395 HydrophobicContact CE1-CD1 3.82Å; F353-L395 HydrophobicContact CB-CD1 4.38Å; F353-L395 HydrophobicContact CD1-CB 4.01Å; F353-L395 HydrophobicContact CD1-CD1 4.07Å; F353-L395 HydrophobicContact CD1-CD2 3.83Å; F353-L395 HydrophobicContact CD1-CG 4.19Å; F353-L395 HydrophobicContact CD2-CD1 4.27Å; F353-L395 HydrophobicContact CE1-CB 3.64Å; F353-L395 HydrophobicContact CE1-CD1 4.5Å; F353-L395 HydrophobicContact CE1-CD2 4.21Å; F353-L395 HydrophobicContact CE1-CG 4.33Å; F353-L395 HydrophobicContact CE2-CB 4.47Å; F353-L395 HydrophobicContact CG-CD1 3.97Å; F353-L395 HydrophobicContact CG-CD2 4.48Å; F353-L395 HydrophobicContact CZ-CB 3.9Å; Q354-L395 HydrophobicContact CG-CD2 4.08Å; L395-R397 PolarHBondContact O-N 3.08Å; L395-I398 WeakPolarHBondContact O-CB 3.43Å; L395-I398 PolarHBondContact O-N 2.83Å; L395-I398 VanDerWaalsContact O-N 3.08Å; L395-I399 HydrophobicContact CD1-CD1 3.99Å; L395-I399 HydrophobicContact CD1-CG1 4.29Å; L395-I399 HydrophobicContact CG-CD1 3.78Å; L395-I399 WeakPolarHBondContact O-CG1 3.39Å; L395-I399 PolarHBondContact O-N 3.39Å
396D94.9Very high86.5Confident48 Ų4824.6 Ų24.626%0.25715%0.154SC..Hα-helixtrans-61.3-46.1179.7-51.7-21.3000110.7W97 P192 N394 I398 I399 K400W97-D396 HydrophobicContact CB-CB 3.88Å; P192-D396 HydrophobicContact CB-CB 3.99Å; P192-D396 HydrophobicContact CG-CB 4.14Å; N394-D396 VanDerWaalsContact C-N 3.3Å; N394-D396 PolarHBondContact O-N 3.06Å; N394-D396 WeakPolarHBondContact OD1-CA 3.29Å; N394-D396 VanDerWaalsContact OD1-CB 3.31Å; N394-D396 WeakPolarHBondContact OD1-CB 3.4Å; N394-D396 PolarHBondContact OD1-N 3.36Å; D396-I398 VanDerWaalsContact C-N 3.28Å; D396-I398 PolarHBondContact O-N 3.37Å; D396-I399 PolarHBondContact O-N 3.17Å; D396-K400 WeakPolarHBondContact O-CB 3.28Å; D396-K400 VanDerWaalsContact O-CG 3.27Å; D396-K400 WeakPolarHBondContact O-CG 3.24Å; D396-K400 PolarHBondContact O-N 3.1Å
397R93.6Very high88.1Confident15 Ų1523.9 Ų23.96%0.05715%0.146CC..Hα-helixtrans-57.8-42.5174.5-179.6172.2173.7-178.4-0.7111.2W97 V390 T392 N394 L395 T401 D467W97-R397 HydrophobicContact CD2-CB 3.76Å; W97-R397 HydrophobicContact CD2-CG 3.93Å; W97-R397 VanDerWaalsContact CE2-CG 3.5Å; W97-R397 HydrophobicContact CE3-CB 4.4Å; W97-R397 HydrophobicContact CE3-CG 4.26Å; W97-R397 HydrophobicContact CG-CB 3.96Å; W97-R397 HydrophobicContact CH2-CG 3.82Å; W97-R397 HydrophobicContact CZ2-CB 4.12Å; W97-R397 HydrophobicContact CZ2-CG 3.46Å; W97-R397 VanDerWaalsContact CZ2-CG 3.46Å; W97-R397 HydrophobicContact CZ3-CG 4.2Å; V390-R397 VanDerWaalsContact CG1-NH2 3.35Å; T392-R397 HydrophobicContact CG2-CB 4.35Å; T392-R397 HydrophobicContact CG2-CG 4.12Å; T392-R397 WeakPolarHBondContact OG1-CD 3.2Å; N394-R397 HydrophobicContact CB-CB 3.94Å; N394-R397 WeakPolarHBondContact O-CB 3.44Å; N394-R397 PolarHBondContact O-N 3.43Å; N394-R397 PolarHBondContact OD1-N 2.85Å; L395-R397 PolarHBondContact O-N 3.08Å; R397-T401 VanDerWaalsContact O-CB 3.28Å; R397-T401 WeakPolarHBondContact O-CB 3.35Å; R397-T401 PolarHBondContact O-N 2.94Å; R397-T401 PolarHBondContact O-OG1 3.01Å; R397-D467 IonicContact CZ-OD1 3.72Å; R397-D467 IonicContact NH1-OD1 3.41Å; R397-D467 PolarHBondContact NH1-OD1 3.15Å; R397-D467 IonicContact NH1-OD2 3.79Å; R397-D467 IonicContact NH2-OD1 3.46Å; R397-D467 PolarHBondContact NH2-OD1 2.92Å
398I95.2Very high89.3Confident0 Ų020.2 Ų20.20%012%0.123CC..Hα-helixtrans-61.9-52179.7-63.9170.2000109.8L342 F349 F353 W376 L378 T392 N394 L395 D396 K400 T401 C402L342-I398 HydrophobicContact CD1-CG2 3.97Å; F349-I398 HydrophobicContact CD1-CG2 4.45Å; F349-I398 HydrophobicContact CE1-CB 4.35Å; F349-I398 HydrophobicContact CE1-CD1 4.06Å; F349-I398 HydrophobicContact CE1-CG2 3.6Å; F349-I398 HydrophobicContact CZ-CD1 3.67Å; F349-I398 HydrophobicContact CZ-CG2 4.03Å; F353-I398 HydrophobicContact CD2-CD1 4.38Å; F353-I398 HydrophobicContact CE2-CD1 4.04Å; W376-I398 HydrophobicContact CB-CD1 4.18Å; W376-I398 HydrophobicContact CG-CD1 4.32Å; L378-I398 HydrophobicContact CD1-CB 4.24Å; L378-I398 HydrophobicContact CD1-CG1 4.04Å; L378-I398 HydrophobicContact CD1-CG2 4.12Å; L378-I398 HydrophobicContact CD2-CB 4.5Å; L378-I398 HydrophobicContact CD2-CG1 4.14Å; L378-I398 HydrophobicContact CD2-CG2 3.79Å; L378-I398 HydrophobicContact CG-CG1 4.46Å; T392-I398 HydrophobicContact CG2-CD1 4.09Å; T392-I398 HydrophobicContact CG2-CG1 3.48Å; T392-I398 VanDerWaalsContact CG2-CG1 3.48Å; N394-I398 VanDerWaalsContact O-CG1 3.32Å; N394-I398 WeakPolarHBondContact O-CG1 3.39Å; N394-I398 PolarHBondContact O-N 3.2Å; L395-I398 WeakPolarHBondContact O-CB 3.43Å; L395-I398 PolarHBondContact O-N 2.83Å; L395-I398 VanDerWaalsContact O-N 3.08Å; D396-I398 VanDerWaalsContact C-N 3.28Å; D396-I398 PolarHBondContact O-N 3.37Å; I398-K400 PolarHBondContact O-N 3.46Å; I398-T401 WeakPolarHBondContact O-CB 3.3Å; I398-T401 PolarHBondContact O-N 3.4Å; I398-T401 VanDerWaalsContact O-N 3.13Å; I398-C402 PolarHBondContact O-N 2.85Å; I398-C402 PolarHBondContact O-SG 3.1Å
399I94.7Very high90.3Very high0 Ų018.3 Ų18.30%010%0.104CC..Hα-helixtrans-59.9-49-179.3-66.5162.3000110.7Y188 Y189 L191 P192 L346 L395 D396 T401 C402 D403Y188-I399 WeakPolarHBondContact O-CD1 3.47Å; Y189-I399 HydrophobicContact CD1-CG2 4.19Å; L191-I399 HydrophobicContact CB-CD1 3.58Å; L191-I399 HydrophobicContact CD1-CD1 3.61Å; L191-I399 HydrophobicContact CG-CD1 4.23Å; P192-I399 HydrophobicContact CG-CB 4.31Å; P192-I399 HydrophobicContact CG-CG2 4.1Å; L346-I399 HydrophobicContact CD1-CG1 4.44Å; L395-I399 HydrophobicContact CD1-CD1 3.99Å; L395-I399 HydrophobicContact CD1-CG1 4.29Å; L395-I399 HydrophobicContact CG-CD1 3.78Å; L395-I399 WeakPolarHBondContact O-CG1 3.39Å; L395-I399 PolarHBondContact O-N 3.39Å; D396-I399 PolarHBondContact O-N 3.17Å; I399-T401 VanDerWaalsContact C-N 3.28Å; I399-T401 PolarHBondContact O-N 3.07Å; I399-C402 WeakPolarHBondContact O-CB 3.43Å; I399-C402 PolarHBondContact O-N 3.42Å; I399-C402 VanDerWaalsContact O-N 3.09Å; I399-D403 PolarHBondContact O-N 2.8Å
400K92.2Very high90.8Very high10 Ų1016.7 Ų16.74%0.04310%0.095CC..Hα-helixtrans-58.9-39.8176.6-68.6-48.6-59.9150.70111.9W97 W125 P192 W193 D396 I398 C402 D403W97-K400 HydrophobicContact CB-CG 4.13Å; W97-K400 HydrophobicContact CE3-CB 4.07Å; W97-K400 HydrophobicContact CE3-CG 4.43Å; W125-K400 HydrophobicContact CH2-CB 4.11Å; W125-K400 WeakPolarHBondContact CH2-O 3.26Å; W125-K400 HydrophobicContact CZ3-CB 4.13Å; P192-K400 HydrophobicContact CB-CD 4.42Å; P192-K400 HydrophobicContact CG-CD 4.02Å; P192-K400 HydrophobicContact CG-CG 4.24Å; W193-K400 HydrophobicContact CH2-CD 3.72Å; W193-K400 HydrophobicContact CZ2-CD 4.34Å; W193-K400 HydrophobicContact CZ3-CD 4.26Å; D396-K400 WeakPolarHBondContact O-CB 3.28Å; D396-K400 VanDerWaalsContact O-CG 3.27Å; D396-K400 WeakPolarHBondContact O-CG 3.24Å; D396-K400 PolarHBondContact O-N 3.1Å; I398-K400 PolarHBondContact O-N 3.46Å; K400-C402 VanDerWaalsContact C-N 3.3Å; K400-C402 PolarHBondContact O-N 2.99Å; K400-D403 IonicContact NZ-OD2 3.43Å; K400-D403 PolarHBondContact NZ-OD2 2.98Å; K400-D403 WeakPolarHBondContact O-CB 3.26Å; K400-D403 PolarHBondContact O-N 2.9Å
401T89.3Confident91.1Very high18 Ų1817.5 Ų17.511%0.1110%0.096CC..Hα-helixtrans-64.7-35.7178.3-58.70000111.9L378 V390 R397 I398 I399 D403 G404 M407L378-T401 HydrophobicContact CD1-CG2 3.91Å; V390-T401 HydrophobicContact CG2-CG2 4.49Å; R397-T401 VanDerWaalsContact O-CB 3.28Å; R397-T401 WeakPolarHBondContact O-CB 3.35Å; R397-T401 PolarHBondContact O-N 2.94Å; R397-T401 PolarHBondContact O-OG1 3.01Å; I398-T401 WeakPolarHBondContact O-CB 3.3Å; I398-T401 PolarHBondContact O-N 3.4Å; I398-T401 VanDerWaalsContact O-N 3.13Å; I399-T401 VanDerWaalsContact C-N 3.28Å; I399-T401 PolarHBondContact O-N 3.07Å; T401-D403 VanDerWaalsContact C-N 3.28Å; T401-D403 PolarHBondContact O-N 3.29Å; T401-G404 PolarHBondContact O-N 3.38Å; T401-M407 HydrophobicContact CG2-CE 4.3Å; T401-M407 HydrophobicContact CG2-CG 4.5Å
402C85.6Confident91.3Very high14 Ų1417.7 Ų17.710%0.09510%0.097CC..Hα-helixtrans-69.4-21.7179.6-61.20000113.9L342 I398 I399 K400 G404L342-C402 WeakPolarHBondContact CD1-SG 3.3Å; I398-C402 PolarHBondContact O-N 2.85Å; I398-C402 PolarHBondContact O-SG 3.1Å; I399-C402 WeakPolarHBondContact O-CB 3.43Å; I399-C402 PolarHBondContact O-N 3.42Å; I399-C402 VanDerWaalsContact O-N 3.09Å; K400-C402 VanDerWaalsContact C-N 3.3Å; K400-C402 PolarHBondContact O-N 2.99Å; C402-G404 PolarHBondContact O-N 2.88Å
403D81.5Confident91.3Very high18 Ų1818 Ų1810%0.09610%0.098CC..Hα-helixtrans-62.9-33.1174.7-75.5-31.8000112.2Y102 H179 Y189 I399 K400 T401Y102-D403 HydrophobicContact CE1-CB 3.65Å; Y102-D403 PolarHBondContact OH-O 3.39Å; H179-D403 IonicContact CE1-OD1 3.6Å; H179-D403 PolarHBondContact CE1-OD1 3.16Å; H179-D403 IonicContact NE2-OD1 3.95Å; H179-D403 PolarHBondContact NE2-OD1 3.42Å; Y189-D403 WeakPolarHBondContact CD1-OD1 3.46Å; Y189-D403 WeakPolarHBondContact CE1-OD1 3.36Å; I399-D403 PolarHBondContact O-N 2.8Å; K400-D403 IonicContact NZ-OD2 3.43Å; K400-D403 PolarHBondContact NZ-OD2 2.98Å; K400-D403 WeakPolarHBondContact O-CB 3.26Å; K400-D403 PolarHBondContact O-N 2.9Å; T401-D403 VanDerWaalsContact C-N 3.28Å; T401-D403 PolarHBondContact O-N 3.29Å
404G75.9Confident91.3Very high15 Ų1514.2 Ų14.216%0.1558%0.078CC..Hα-helixtrans-85.3-48.3-17100000113.2K104 T401 C402K104-G404 VanDerWaalsContact CE-O 3.26Å; K104-G404 WeakPolarHBondContact CE-O 3.19Å; K104-G404 PolarHBondContact NZ-O 3.14Å; T401-G404 PolarHBondContact O-N 3.38Å; C402-G404 PolarHBondContact O-N 2.88Å
405N80Confident91.3Very high19 Ų1915 Ų1510%0.1028%0.083CC..SBendtrans-135.7150.8-177.5-69.8-48.2000109.6K104 M407K104-N405 PolarHBondContact NZ-OD1 3.25Å; N405-M407 HydrophobicContact CB-SD 4.19Å; N405-M407 WeakPolarHBondContact O-CG 3.4Å; N405-M407 PolarHBondContact O-N 2.68Å
406P87.5Confident91.3Very high33 Ų3314.4 Ų14.421%0.2148%0.08CC..  trans-65.4126.1169-21.234.4000111.1V343 W381V343-P406 HydrophobicContact CG2-CB 3.7Å; V343-P406 HydrophobicContact CG2-CG 4.49Å; W381-P406 HydrophobicContact CD2-CB 3.63Å; W381-P406 HydrophobicContact CD2-CG 4.43Å; W381-P406 VanDerWaalsContact CE2-CG 3.45Å; W381-P406 HydrophobicContact CE3-CB 4.2Å; W381-P406 HydrophobicContact CG-CB 4.1Å; W381-P406 HydrophobicContact CH2-CB 3.88Å; W381-P406 HydrophobicContact CH2-CG 4.18Å; W381-P406 HydrophobicContact CZ2-CB 3.29Å; W381-P406 HydrophobicContact CZ2-CG 3.31Å; W381-P406 HydrophobicContact CZ3-CB 4.31Å; W381-P406 PolarHBondContact N-O 2.97Å; W381-P406 VanDerWaalsContact NE1-CB 3.32Å
407M92.8Very high91.4Very high5 Ų512.2 Ų12.23%0.0257%0.068CC..EExtended strand (participates in β ladder)trans-128.2152-174.5-57.1-62.5-8100111.1L342 L378 K379 P380 G388 T401 N405L342-M407 WeakPolarHBondContact CB-O 3.32Å; L342-M407 HydrophobicContact CD1-CB 4.11Å; L342-M407 PolarHBondContact N-O 3.14Å; L378-M407 HydrophobicContact CB-CE 3.58Å; K379-M407 WeakPolarHBondContact O-CA 3.36Å; P380-M407 WeakPolarHBondContact CA-SD 3.49Å; P380-M407 HydrophobicContact CB-SD 3.78Å; P380-M407 HydrophobicContact CG-CE 3.92Å; P380-M407 HydrophobicContact CG-SD 3.71Å; G388-M407 WeakPolarHBondContact O-CE 3.42Å; T401-M407 HydrophobicContact CG2-CE 4.3Å; T401-M407 HydrophobicContact CG2-CG 4.5Å; N405-M407 HydrophobicContact CB-SD 4.19Å; N405-M407 WeakPolarHBondContact O-CG 3.4Å; N405-M407 PolarHBondContact O-N 2.68Å
408I95.2Very high91.6Very high1 Ų112.9 Ų12.91%0.0057%0.073CC..EExtended strand (participates in β ladder)trans-99.3141.3156.158.1166.4000109.2K300 D301 T339 F340 L378 K379K300-I408 HydrophobicContact CB-CD1 3.83Å; D301-I408 HydrophobicContact CB-CG2 3.8Å; T339-I408 HydrophobicContact CG2-CB 3.89Å; T339-I408 HydrophobicContact CG2-CD1 4Å; T339-I408 HydrophobicContact CG2-CG1 4.42Å; T339-I408 HydrophobicContact CG2-CG2 4.45Å; F340-I408 CarbonylContact O-C 3.58Å; F340-I408 VanDerWaalsContact O-CA 3.28Å; F340-I408 WeakPolarHBondContact O-CA 3.5Å; L378-I408 CarbonylContact C-O 3.39Å; L378-I408 VanDerWaalsContact CA-O 3.27Å; L378-I408 WeakPolarHBondContact CA-O 3.2Å; K379-I408 HydrophobicContact CB-CD1 4.26Å; K379-I408 HydrophobicContact CB-CG1 3.86Å; K379-I408 HydrophobicContact CD-CD1 4.43Å; K379-I408 PolarHBondContact N-O 2.91Å; K379-I408 WeakPolarHBondContact O-CG1 3.41Å; K379-I408 PolarHBondContact O-N 2.82Å
409A96.9Very high91.7Very high0 Ų013.2 Ų13.20%07%0.074CC..EExtended strand (participates in β ladder)trans-98.8109.2164.500000108.3T339 F340 L342 F349 W376 L378T339-A409 CarbonylContact C-O 3.54Å; T339-A409 WeakPolarHBondContact CA-O 3.08Å; F340-A409 PolarHBondContact N-O 2.77Å; F340-A409 PolarHBondContact O-N 2.86Å; L342-A409 HydrophobicContact CD1-CB 3.73Å; L342-A409 HydrophobicContact CD2-CB 3.89Å; L342-A409 HydrophobicContact CG-CB 4.03Å; F349-A409 HydrophobicContact CD2-CB 3.96Å; F349-A409 HydrophobicContact CE2-CB 3.62Å; F349-A409 HydrophobicContact CZ-CB 4.13Å; W376-A409 HydrophobicContact CD2-CB 4.43Å; W376-A409 HydrophobicContact CE3-CB 3.77Å; W376-A409 HydrophobicContact CZ3-CB 4.31Å; W376-A409 WeakPolarHBondContact CZ3-O 3.45Å; L378-A409 HydrophobicContact CD2-CB 3.71Å
410S96.7Very high91.8Very high0 Ų016.8 Ų16.80%09%0.088CC..EExtended strand (participates in β ladder)trans-101.3140.7169.9-640000109.7V338 T339 I377 Y412V338-S410 WeakPolarHBondContact O-CA 3.48Å; T339-S410 VanDerWaalsContact CG2-OG 3.25Å; T339-S410 WeakPolarHBondContact CG2-OG 3.47Å; T339-S410 WeakPolarHBondContact OG1-CB 3.38Å; T339-S410 PolarHBondContact OG1-OG 2.85Å; I377-S410 VanDerWaalsContact CG2-O 3.26Å; I377-S410 WeakPolarHBondContact CG2-O 3.46Å; I377-S410 PolarHBondContact N-O 2.67Å; I377-S410 PolarHBondContact O-N 3.07Å; S410-Y412 PolarHBondContact O-N 3.1Å
411R95.6Very high91.9Very high36 Ų3616.6 Ų16.614%0.1369%0.087CC..EExtended strand (participates in β ladder)trans-58.2130.6172.9-174.4171.167.2-164.3-0.4109.9D328 P337 V338 W376D328-R411 IonicContact OD1-NH1 2.67Å; D328-R411 IonicContact OD2-CZ 3.51Å; D328-R411 IonicContact OD2-NH1 3.54Å; D328-R411 PolarHBondContact OD2-NH1 3.08Å; D328-R411 IonicContact OD2-NH2 3.15Å; P337-R411 HydrophobicContact CB-CB 4.4Å; P337-R411 WeakPolarHBondContact CB-O 3.39Å; V338-R411 PolarHBondContact O-N 3.5Å; W376-R411 HydrophobicContact CE3-CB 4.43Å; W376-R411 HydrophobicContact CZ3-CB 4.22Å
412Y95.4Very high92Very high5 Ų521 Ų212%0.0211%0.11CC..PPolyproline II helixtrans-76.1141.8179.2-174.8-103.8000110.9L375 I377 I391 S410 T414 K429 F461 L463 H472L375-Y412 HydrophobicContact CD2-CD1 3.45Å; L375-Y412 VanDerWaalsContact CD2-CD1 3.45Å; L375-Y412 HydrophobicContact CD2-CE1 4.09Å; L375-Y412 HydrophobicContact CD2-CG 4.14Å; L375-Y412 HydrophobicContact CG-CD1 4.06Å; L375-Y412 HydrophobicContact CG-CG 4.26Å; L375-Y412 VanDerWaalsContact O-CB 3.3Å; L375-Y412 WeakPolarHBondContact O-CB 3.43Å; L375-Y412 PolarHBondContact O-N 3.11Å; I377-Y412 HydrophobicContact CB-CD2 3.99Å; I377-Y412 HydrophobicContact CD1-CD2 4.36Å; I377-Y412 HydrophobicContact CG2-CD2 4.21Å; I391-Y412 HydrophobicContact CD1-CD2 4.04Å; I391-Y412 HydrophobicContact CD1-CE2 3.49Å; I391-Y412 VanDerWaalsContact CD1-CE2 3.49Å; I391-Y412 HydrophobicContact CG1-CD2 4.1Å; I391-Y412 HydrophobicContact CG1-CE2 4.08Å; I391-Y412 HydrophobicContact CG2-CD2 4.12Å; I391-Y412 HydrophobicContact CG2-CE2 4.36Å; I391-Y412 HydrophobicContact CG2-CG 4.18Å; S410-Y412 PolarHBondContact O-N 3.1Å; Y412-T414 HydrophobicContact CD1-CG2 4.17Å; Y412-T414 PolarHBondContact O-N 3.09Å; Y412-K429 PolarHBondContact OH-NZ 3.24Å; Y412-F461 HydrophobicContact CE1-CE2 4.33Å; Y412-F461 HydrophobicContact CE1-CZ 4.37Å; Y412-F461 WeakPolarHBondContact OH-CE2 3.14Å; Y412-L463 HydrophobicContact CE1-CD2 4.2Å; Y412-H472 AromaticContact CZ-ND1 3.89Å; Y412-H472 PolarHBondContact OH-ND1 3.19Å; Y412-H472 VanDerWaalsContact OH-ND1 3.11Å
413I93.6Very high92.2Very high12 Ų1224.5 Ų24.56%0.06213%0.128CC..  trans-77.2106.7175.9-60.7-179.8000108.8P416 L547 E549 V566I413-P416 HydrophobicContact CG2-CB 3.93Å; I413-L547 HydrophobicContact CD1-CB 3.64Å; I413-L547 HydrophobicContact CD1-CD1 3.74Å; I413-L547 HydrophobicContact CD1-CG 4.31Å; I413-E549 HydrophobicContact CG2-CB 3.87Å; I413-E549 HydrophobicContact CG2-CG 3.81Å; I413-V566 HydrophobicContact CD1-CB 3.71Å; I413-V566 HydrophobicContact CD1-CG1 3.77Å; I413-V566 HydrophobicContact CD1-CG2 4.17Å; I413-V566 HydrophobicContact CG1-CG1 4.45Å
414T92.1Very high92.7Very high11 Ų1126.8 Ų26.87%0.06714%0.139CC..SBendtrans-90.1-23.7-176.449.90000114.6R372 L375 Y412 P416 L463R372-T414 HydrophobicContact CB-CG2 3.95Å; R372-T414 HydrophobicContact CG-CG2 4.46Å; R372-T414 WeakPolarHBondContact O-CG2 3.49Å; L375-T414 HydrophobicContact CB-CG2 4.28Å; L375-T414 HydrophobicContact CD2-CG2 4.04Å; Y412-T414 HydrophobicContact CD1-CG2 4.17Å; Y412-T414 PolarHBondContact O-N 3.09Å; T414-P416 VanDerWaalsContact O-CD 3.3Å; T414-P416 WeakPolarHBondContact O-CD 3.48Å; T414-L463 HydrophobicContact CG2-CD1 4.41Å; T414-L463 HydrophobicContact CG2-CD2 4.04Å; T414-L463 WeakPolarHBondContact O-CD1 3.48Å
415D93.1Very high93.6Very high37 Ų3732.5 Ų32.520%0.19816%0.162CC..SBendtrans-120.361177.4-161.510.7000111.1W550 K561D415-W550 HydrophobicContact CB-CB 4.34Å; D415-W550 PolarHBondContact O-N 3.02Å; D415-W550 WeakPolarHBondContact OD2-CB 3.26Å; D415-K561 IonicContact OD2-NZ 2.79Å; D415-K561 PolarHBondContact OD2-NZ 3.43Å
416P95.8Very high94.3Very high5 Ų532.4 Ų32.43%0.03216%0.164CC..BIsolated β-bridgetrans-68.1148.617930.8-35.1000110.8I413 T414 L418 F461 L548I413-P416 HydrophobicContact CG2-CB 3.93Å; T414-P416 VanDerWaalsContact O-CD 3.3Å; T414-P416 WeakPolarHBondContact O-CD 3.48Å; P416-L418 HydrophobicContact CB-CD2 4.38Å; P416-L418 HydrophobicContact CG-CD2 3.79Å; P416-L418 PolarHBondContact O-N 3.38Å; P416-F461 VanDerWaalsContact CD-CZ 3.49Å; P416-F461 HydrophobicContact CG-CD1 4.04Å; P416-F461 HydrophobicContact CG-CD2 4.24Å; P416-F461 HydrophobicContact CG-CE1 3.6Å; P416-F461 HydrophobicContact CG-CE2 3.8Å; P416-F461 HydrophobicContact CG-CG 4.32Å; P416-F461 HydrophobicContact CG-CZ 3.46Å; P416-F461 VanDerWaalsContact CG-CZ 3.46Å; P416-L548 CarbonylContact C-O 3.58Å; P416-L548 VanDerWaalsContact CA-O 3.26Å; P416-L548 WeakPolarHBondContact CA-O 3.48Å
417V97.6Very high94.7Very high2 Ų234.2 Ų34.21%0.01217%0.172CC..  trans-65.5127.9161.5-173.10000107.6F430 F496 Y500 L548 W550 I563V417-F430 HydrophobicContact CG1-CE1 4.4Å; V417-F430 WeakPolarHBondContact O-CE1 3.45Å; V417-F496 HydrophobicContact CG1-CE2 4.02Å; V417-F496 HydrophobicContact CG1-CZ 4.43Å; V417-Y500 HydrophobicContact CG1-CD2 4.28Å; V417-Y500 HydrophobicContact CG1-CE2 3.58Å; V417-L548 HydrophobicContact CB-CB 3.76Å; V417-L548 HydrophobicContact CG2-CB 3.59Å; V417-L548 PolarHBondContact N-O 2.79Å; V417-W550 HydrophobicContact CG1-CZ2 4.18Å; V417-W550 HydrophobicContact CG2-CD2 4.08Å; V417-W550 HydrophobicContact CG2-CG 4.28Å; V417-W550 HydrophobicContact CG2-CZ2 4.13Å; V417-I563 HydrophobicContact CG1-CD1 4.37Å; V417-I563 HydrophobicContact CG2-CB 4.39Å; V417-I563 HydrophobicContact CG2-CD1 4.01Å; V417-I563 HydrophobicContact CG2-CG1 3.87Å; V417-I563 HydrophobicContact CG2-CG2 3.83Å
418L97.5Very high94.9Very high29 Ų2934 Ų3415%0.15217%0.171CC..EExtended strand (participates in β ladder)trans-104.5160.5-177.7-58.4177.9000110.5P416 N427 V428 K429 F461 Q499 Y500P416-L418 HydrophobicContact CB-CD2 4.38Å; P416-L418 HydrophobicContact CG-CD2 3.79Å; P416-L418 PolarHBondContact O-N 3.38Å; L418-N427 HydrophobicContact CB-CB 3.8Å; L418-N427 HydrophobicContact CD1-CB 3.73Å; L418-N427 HydrophobicContact CG-CB 4.42Å; L418-V428 CarbonylContact C-O 3.58Å; L418-V428 WeakPolarHBondContact CA-O 3.43Å; L418-K429 HydrophobicContact CD2-CB 4.38Å; L418-F461 HydrophobicContact CD1-CB 3.99Å; L418-F461 HydrophobicContact CD1-CD1 4.07Å; L418-F461 HydrophobicContact CD1-CG 4.4Å; L418-F461 HydrophobicContact CD2-CB 3.54Å; L418-F461 HydrophobicContact CD2-CD1 3.92Å; L418-F461 HydrophobicContact CD2-CD2 4.45Å; L418-F461 HydrophobicContact CD2-CG 3.73Å; L418-F461 HydrophobicContact CG-CB 4.45Å; L418-Q499 PolarHBondContact O-NE2 3.05Å; L418-Y500 WeakPolarHBondContact O-CE2 3.17Å; L418-Y500 PolarHBondContact O-OH 3.11Å
419F97.3Very high94.9Very high7 Ų734.4 Ų34.43%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-116131.4174-173.8-95.9000109.9R421 N427 V428 F430 F456 I487 F492 L495F419-R421 HydrophobicContact CD1-CG 4.2Å; F419-R421 PolarHBondContact O-N 3.17Å; F419-N427 WeakPolarHBondContact O-CA 3.37Å; F419-V428 PolarHBondContact N-O 2.87Å; F419-V428 PolarHBondContact O-N 2.81Å; F419-F430 HydrophobicContact CB-CD1 3.6Å; F419-F430 HydrophobicContact CB-CE1 3.97Å; F419-F430 HydrophobicContact CB-CG 4.23Å; F419-F456 HydrophobicContact CB-CD1 4.22Å; F419-F456 HydrophobicContact CB-CE1 3.87Å; F419-F456 HydrophobicContact CD1-CD1 4.03Å; F419-F456 AromaticContact CD1-CE1 3.52Å; F419-F456 HydrophobicContact CD1-CE1 3.52Å; F419-F456 HydrophobicContact CD1-CZ 4.33Å; F419-F456 HydrophobicContact CD2-CE1 4.38Å; F419-F456 HydrophobicContact CE1-CE1 4.13Å; F419-F456 HydrophobicContact CG-CD1 4.33Å; F419-F456 AromaticContact CG-CE1 3.66Å; F419-F456 HydrophobicContact CG-CE1 3.66Å; F419-I487 HydrophobicContact CD1-CD1 4.37Å; F419-I487 HydrophobicContact CE1-CD1 3.46Å; F419-I487 VanDerWaalsContact CE1-CD1 3.46Å; F419-I487 HydrophobicContact CZ-CD1 3.74Å; F419-F492 AromaticContact CD2-CD2 3.94Å; F419-F492 HydrophobicContact CD2-CD2 3.94Å; F419-F492 AromaticContact CD2-CE2 3.59Å; F419-F492 HydrophobicContact CD2-CE2 3.59Å; F419-F492 AromaticContact CE2-CD2 3.69Å; F419-F492 HydrophobicContact CE2-CD2 3.69Å; F419-F492 AromaticContact CE2-CE2 3.83Å; F419-F492 HydrophobicContact CE2-CE2 3.83Å; F419-F492 HydrophobicContact CG-CE2 4.42Å; F419-F492 HydrophobicContact CZ-CD2 4.38Å; F419-L495 HydrophobicContact CE2-CB 4.01Å; F419-L495 HydrophobicContact CZ-CB 3.99Å; F419-L495 HydrophobicContact CZ-CD1 3.91Å
420Y96.8Very high94.8Very high76 Ų7634.5 Ų34.530%0.29817%0.173SC..EExtended strand (participates in β ladder)trans-78.7114.5178.9-172.5-100000110.5N422 Q425 N427 Q499Y420-N422 WeakPolarHBondContact CD1-OD1 3.31Å; Y420-N422 VanDerWaalsContact CE1-OD1 3.24Å; Y420-N422 WeakPolarHBondContact CE1-OD1 3.43Å; Y420-Q425 WeakPolarHBondContact OH-CA 3.46Å; Y420-Q425 PolarHBondContact OH-OE1 2.85Å; Y420-N427 WeakPolarHBondContact CA-OD1 3.36Å; Y420-N427 WeakPolarHBondContact CB-OD1 3.33Å; Y420-Q499 VanDerWaalsContact CB-OE1 3.25Å
421R92.9Very high94.8Very high6 Ų634.7 Ų34.72%0.02317%0.174CC..EExtended strand (participates in β ladder)trans-95.2109175.1-81.7-177.665.4174-0.3110.1F419 D423 L424 Q425 A426 V428 A457 N458F419-R421 HydrophobicContact CD1-CG 4.2Å; F419-R421 PolarHBondContact O-N 3.17Å; R421-D423 WeakPolarHBondContact CB-OD1 3.45Å; R421-D423 IonicContact CZ-OD2 3.44Å; R421-D423 IonicContact NE-OD1 3.55Å; R421-D423 PolarHBondContact NE-OD1 2.77Å; R421-D423 IonicContact NE-OD2 3.7Å; R421-D423 PolarHBondContact NE-OD2 2.78Å; R421-D423 IonicContact NH2-OD2 3.62Å; R421-D423 PolarHBondContact NH2-OD2 2.93Å; R421-D423 PolarHBondContact O-N 2.79Å; R421-L424 HydrophobicContact CB-CB 4.21Å; R421-L424 HydrophobicContact CB-CD1 4.33Å; R421-L424 HydrophobicContact CB-CG 4.33Å; R421-L424 CarbonylContact O-C 3.56Å; R421-L424 PolarHBondContact O-N 2.96Å; R421-Q425 PolarHBondContact O-N 3.33Å; R421-A426 PolarHBondContact N-O 3.21Å; R421-A426 PolarHBondContact O-N 2.91Å; R421-V428 VanDerWaalsContact CD-CG2 3.45Å; R421-V428 HydrophobicContact CG-CG2 3.8Å; R421-A457 PolarHBondContact NH1-O 3.22Å; R421-N458 PolarHBondContact NH1-OD1 2.89Å
422N91.7Very high94.9Very high109 Ų10933 Ų3358%0.58317%0.168SC*.THydrogen-bonded Turntrans-56.4-33.6177.2-68.7-40.8000113.2Y420 L424 Q425Y420-N422 WeakPolarHBondContact CD1-OD1 3.31Å; Y420-N422 VanDerWaalsContact CE1-OD1 3.24Å; Y420-N422 WeakPolarHBondContact CE1-OD1 3.43Å; N422-L424 VanDerWaalsContact C-N 3.31Å; N422-L424 PolarHBondContact O-N 2.83Å; N422-Q425 PolarHBondContact O-N 3.42Å; N422-Q425 PolarHBondContact O-NE2 2.62Å
423D91.2Very high94.9Very high88 Ų8834 Ų3447%0.47117%0.171SC..THydrogen-bonded Turntrans-69.9-26.7179.155.4-60.8000113.2R421R421-D423 WeakPolarHBondContact CB-OD1 3.45Å; R421-D423 IonicContact CZ-OD2 3.44Å; R421-D423 IonicContact NE-OD1 3.55Å; R421-D423 PolarHBondContact NE-OD1 2.77Å; R421-D423 IonicContact NE-OD2 3.7Å; R421-D423 PolarHBondContact NE-OD2 2.78Å; R421-D423 IonicContact NH2-OD2 3.62Å; R421-D423 PolarHBondContact NH2-OD2 2.93Å; R421-D423 PolarHBondContact O-N 2.79Å
424L91Very high95.1Very high66 Ų6633.5 Ų33.535%0.34617%0.169SC..THydrogen-bonded Turntrans-101.4-9175.7-60.6178.7000112.8R421 N422 A426 V428 N458R421-L424 HydrophobicContact CB-CB 4.21Å; R421-L424 HydrophobicContact CB-CD1 4.33Å; R421-L424 HydrophobicContact CB-CG 4.33Å; R421-L424 CarbonylContact O-C 3.56Å; R421-L424 PolarHBondContact O-N 2.96Å; N422-L424 VanDerWaalsContact C-N 3.31Å; N422-L424 PolarHBondContact O-N 2.83Å; L424-A426 HydrophobicContact CB-CB 4.35Å; L424-A426 PolarHBondContact O-N 2.71Å; L424-V428 HydrophobicContact CD1-CG1 3.86Å; L424-N458 VanDerWaalsContact CD1-O 3.32Å; L424-N458 WeakPolarHBondContact CD1-O 3.39Å
425Q94.3Very high95.4Very high136 Ų13633.2 Ų33.264%0.63617%0.167SC*.THydrogen-bonded Turntrans5235.2-171.3-62.6-71.3-39.600112.6Y420 R421 N422Y420-Q425 WeakPolarHBondContact OH-CA 3.46Å; Y420-Q425 PolarHBondContact OH-OE1 2.85Å; R421-Q425 PolarHBondContact O-N 3.33Å; N422-Q425 PolarHBondContact O-N 3.42Å; N422-Q425 PolarHBondContact O-NE2 2.62Å
426A95.2Very high95.6Very high17 Ų1731.4 Ų31.414%0.1416%0.157CC..EExtended strand (participates in β ladder)trans-150158.6-170.900000113.4R421 L424 P460R421-A426 PolarHBondContact N-O 3.21Å; R421-A426 PolarHBondContact O-N 2.91Å; L424-A426 HydrophobicContact CB-CB 4.35Å; L424-A426 PolarHBondContact O-N 2.71Å; A426-P460 HydrophobicContact CB-CB 3.91Å; A426-P460 HydrophobicContact CB-CG 3.57Å
427N96.8Very high95.7Very high70 Ų7031.2 Ų31.237%0.37416%0.156SC..EExtended strand (participates in β ladder)trans-84.6125.7172.9-72.7-49.3000110.4L418 F419 Y420 P460 F461L418-N427 HydrophobicContact CB-CB 3.8Å; L418-N427 HydrophobicContact CD1-CB 3.73Å; L418-N427 HydrophobicContact CG-CB 4.42Å; F419-N427 WeakPolarHBondContact O-CA 3.37Å; Y420-N427 WeakPolarHBondContact CA-OD1 3.36Å; Y420-N427 WeakPolarHBondContact CB-OD1 3.33Å; N427-P460 WeakPolarHBondContact O-CA 3.45Å; N427-F461 PolarHBondContact O-N 2.73Å; N427-F461 VanDerWaalsContact O-N 3.11Å
428V95.4Very high95.7Very high0 Ų031.1 Ų31.10%016%0.155CC..EExtended strand (participates in β ladder)trans-121.5155.6-178.5-55.80000111.5L418 F419 R421 L424 F456 A457 K459L418-V428 CarbonylContact C-O 3.58Å; L418-V428 WeakPolarHBondContact CA-O 3.43Å; F419-V428 PolarHBondContact N-O 2.87Å; F419-V428 PolarHBondContact O-N 2.81Å; R421-V428 VanDerWaalsContact CD-CG2 3.45Å; R421-V428 HydrophobicContact CG-CG2 3.8Å; L424-V428 HydrophobicContact CD1-CG1 3.86Å; V428-F456 HydrophobicContact CG2-CB 4.37Å; V428-F456 HydrophobicContact CG2-CD1 4.29Å; V428-A457 HydrophobicContact CB-CB 4.26Å; V428-K459 WeakPolarHBondContact CG1-O 3.47Å
429K95.7Very high95.6Very high11 Ų1131 Ų315%0.04815%0.153CC..EExtended strand (participates in β ladder)trans-68.6146.5170.7-165.5175.5-178.9-177.20109.7Y412 L418 A457 F461 H472 T474 L547Y412-K429 PolarHBondContact OH-NZ 3.24Å; L418-K429 HydrophobicContact CD2-CB 4.38Å; K429-A457 HydrophobicContact CB-CB 4.1Å; K429-A457 WeakPolarHBondContact O-CB 3.13Å; K429-A457 PolarHBondContact O-N 3.09Å; K429-F461 HydrophobicContact CB-CD2 4.16Å; K429-F461 HydrophobicContact CD-CD2 4.18Å; K429-F461 HydrophobicContact CD-CE2 4.22Å; K429-H472 WeakPolarHBondContact CD-O 3.45Å; K429-H472 PolarHBondContact NZ-O 3Å; K429-T474 HydrophobicContact CB-CG2 4.32Å; K429-T474 HydrophobicContact CG-CG2 4.16Å; K429-L547 HydrophobicContact CG-CD2 4.24Å
430F96.2Very high95.5Very high1 Ų130.9 Ų30.90%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-143.114717369.8-79.7000109.9V417 F419 I432 L454 R455 F456 F492 F496 L547 L548V417-F430 HydrophobicContact CG1-CE1 4.4Å; V417-F430 WeakPolarHBondContact O-CE1 3.45Å; F419-F430 HydrophobicContact CB-CD1 3.6Å; F419-F430 HydrophobicContact CB-CE1 3.97Å; F419-F430 HydrophobicContact CB-CG 4.23Å; F430-I432 HydrophobicContact CD2-CD1 4.5Å; F430-I432 HydrophobicContact CD2-CG1 4.04Å; F430-I432 HydrophobicContact CE2-CD1 3.85Å; F430-I432 HydrophobicContact CE2-CG1 3.83Å; F430-L454 HydrophobicContact CD2-CD2 3.95Å; F430-L454 HydrophobicContact CE2-CD2 4.32Å; F430-R455 CarbonylContact C-O 3.44Å; F430-R455 WeakPolarHBondContact CA-O 3.2Å; F430-R455 WeakPolarHBondContact CB-O 3.48Å; F430-F456 HydrophobicContact CB-CD1 3.49Å; F430-F456 VanDerWaalsContact CB-CD1 3.49Å; F430-F456 HydrophobicContact CB-CE1 3.71Å; F430-F456 HydrophobicContact CB-CG 4.27Å; F430-F456 HydrophobicContact CG-CD1 4.38Å; F430-F456 HydrophobicContact CG-CE1 4.17Å; F430-F492 HydrophobicContact CD2-CE2 4.21Å; F430-F492 HydrophobicContact CD2-CZ 4.29Å; F430-F492 AromaticContact CE2-CE2 3.84Å; F430-F492 HydrophobicContact CE2-CE2 3.84Å; F430-F492 AromaticContact CE2-CZ 3.52Å; F430-F492 HydrophobicContact CE2-CZ 3.52Å; F430-F492 HydrophobicContact CZ-CE2 4.21Å; F430-F492 AromaticContact CZ-CZ 3.9Å; F430-F492 HydrophobicContact CZ-CZ 3.9Å; F430-F496 HydrophobicContact CZ-CE2 4.35Å; F430-L547 WeakPolarHBondContact O-CD2 3.28Å; F430-L548 HydrophobicContact CE2-CD1 4.46Å; F430-L548 HydrophobicContact CZ-CD1 4.12Å
431D95.8Very high95.4Very high5 Ų527.6 Ų27.63%0.02714%0.141CC..EExtended strand (participates in β ladder)trans-112.6154.9170.279.476.4000110.7L454 R455 T474 L546 L547D431-L454 WeakPolarHBondContact O-CA 3.37Å; D431-R455 VanDerWaalsContact CG-NE 3.29Å; D431-R455 PolarHBondContact N-O 3.43Å; D431-R455 PolarHBondContact O-N 3.37Å; D431-R455 VanDerWaalsContact O-N 3.08Å; D431-R455 IonicContact OD1-CZ 2.78Å; D431-R455 IonicContact OD1-NE 2.6Å; D431-R455 PolarHBondContact OD1-NE 2.99Å; D431-R455 IonicContact OD1-NH2 3.33Å; D431-R455 PolarHBondContact OD1-NH2 3.08Å; D431-R455 WeakPolarHBondContact OD2-CB 3.4Å; D431-R455 IonicContact OD2-CZ 3.23Å; D431-R455 IonicContact OD2-NE 3.1Å; D431-R455 PolarHBondContact OD2-NE 3.11Å; D431-R455 IonicContact OD2-NH2 2.86Å; D431-T474 WeakPolarHBondContact OD2-CB 3.28Å; D431-T474 PolarHBondContact OD2-OG1 2.92Å; D431-L546 WeakPolarHBondContact CA-O 3Å; D431-L547 HydrophobicContact CB-CD2 3.79Å
432I97.2Very high95.3Very high0 Ų034.1 Ų34.10%017%0.169CC..EExtended strand (participates in β ladder)trans-118.6128.9-179.3-53144.8000107.7F430 Y434 F452 L454 W505 D545 L546 L548F430-I432 HydrophobicContact CD2-CD1 4.5Å; F430-I432 HydrophobicContact CD2-CG1 4.04Å; F430-I432 HydrophobicContact CE2-CD1 3.85Å; F430-I432 HydrophobicContact CE2-CG1 3.83Å; I432-Y434 HydrophobicContact CG2-CD2 3.76Å; I432-Y434 HydrophobicContact CG2-CE2 3.57Å; I432-F452 HydrophobicContact CG2-CB 3.95Å; I432-F452 HydrophobicContact CG2-CD2 3.72Å; I432-F452 HydrophobicContact CG2-CG 4.03Å; I432-L454 HydrophobicContact CB-CD2 4.47Å; I432-L454 HydrophobicContact CG1-CD2 3.74Å; I432-W505 HydrophobicContact CD1-CH2 3.65Å; I432-W505 HydrophobicContact CD1-CZ3 4.29Å; I432-W505 HydrophobicContact CG1-CH2 4.31Å; I432-D545 WeakPolarHBondContact O-CA 3.44Å; I432-L546 HydrophobicContact CB-CD1 4.06Å; I432-L546 HydrophobicContact CB-CG 4.27Å; I432-L546 HydrophobicContact CD1-CD1 3.63Å; I432-L546 HydrophobicContact CG1-CD1 4.44Å; I432-L546 PolarHBondContact N-O 3.39Å; I432-L546 PolarHBondContact O-N 2.87Å; I432-L548 HydrophobicContact CD1-CD1 3.89Å; I432-L548 HydrophobicContact CD1-CD2 4.16Å; I432-L548 HydrophobicContact CD1-CG 3.77Å
433R96.6Very high95.4Very high26 Ų2633.5 Ų33.510%0.09817%0.172CC..EExtended strand (participates in β ladder)trans-105.8116.7172.3172.7168.6-70-175.2-4.7109.8F452 W453 A543 V544 D545R433-F452 WeakPolarHBondContact O-CA 3.44Å; R433-F452 WeakPolarHBondContact O-CB 3.45Å; R433-W453 HydrophobicContact CB-CB 4.34Å; R433-W453 PolarHBondContact N-O 2.93Å; R433-W453 PolarHBondContact O-N 2.9Å; R433-A543 HydrophobicContact CG-CB 3.86Å; R433-V544 WeakPolarHBondContact CA-O 3.4Å; R433-D545 WeakPolarHBondContact CB-OD1 3.27Å; R433-D545 WeakPolarHBondContact CG-OD1 3.32Å; R433-D545 IonicContact CZ-OD1 2.88Å; R433-D545 IonicContact CZ-OD2 3.87Å; R433-D545 IonicContact NE-OD1 3.96Å; R433-D545 PolarHBondContact NE-OD1 2.98Å; R433-D545 IonicContact NE-OD2 2.65Å; R433-D545 IonicContact NH2-OD1 3.48Å; R433-D545 PolarHBondContact NH2-OD1 2.87Å; R433-D545 IonicContact NH2-OD2 3.69Å; R433-D545 PolarHBondContact NH2-OD2 3.22Å
434Y97.5Very high95.6Very high2 Ų231.8 Ų31.81%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-97.8138.3166.3-85.5-91.3000110.3I432 T448 F452 E509 I512 H513 L516 A543 V544 L546I432-Y434 HydrophobicContact CG2-CD2 3.76Å; I432-Y434 HydrophobicContact CG2-CE2 3.57Å; Y434-T448 WeakPolarHBondContact CD1-OG1 3.22Å; Y434-F452 HydrophobicContact CD1-CB 4.09Å; Y434-F452 HydrophobicContact CD2-CB 4.08Å; Y434-F452 HydrophobicContact CE1-CB 3.95Å; Y434-F452 HydrophobicContact CE1-CD1 4.03Å; Y434-F452 HydrophobicContact CE1-CG 4.37Å; Y434-F452 HydrophobicContact CE2-CB 3.89Å; Y434-F452 HydrophobicContact CE2-CD1 4.33Å; Y434-F452 HydrophobicContact CE2-CG 4.17Å; Y434-F452 HydrophobicContact CG-CB 4.19Å; Y434-F452 AromaticContact CZ-CD1 3.66Å; Y434-F452 AromaticContact CZ-CG 3.94Å; Y434-F452 WeakPolarHBondContact OH-CD1 3.29Å; Y434-E509 PolarHBondContact OH-OE1 2.86Å; Y434-I512 HydrophobicContact CD2-CG2 3.79Å; Y434-I512 HydrophobicContact CE2-CB 4.5Å; Y434-I512 HydrophobicContact CE2-CD1 3.84Å; Y434-I512 HydrophobicContact CE2-CG2 3.64Å; Y434-I512 HydrophobicContact CG-CG2 4.4Å; Y434-H513 AromaticContact CE1-NE2 3.96Å; Y434-L516 HydrophobicContact CD1-CD1 4.32Å; Y434-L516 HydrophobicContact CG-CD1 4.2Å; Y434-A543 CarbonylContact O-C 3.6Å; Y434-A543 VanDerWaalsContact O-CA 3.29Å; Y434-A543 WeakPolarHBondContact O-CA 3.32Å; Y434-V544 PolarHBondContact N-O 2.87Å; Y434-V544 PolarHBondContact O-N 3.13Å; Y434-L546 HydrophobicContact CD2-CD2 4.23Å
435V97.4Very high95.9Very high4 Ų429.9 Ų29.92%0.02415%0.152CC..EExtended strand (participates in β ladder)trans-94.9117170.8170.30000108.3L437 T448 Y449 W453 L541 Y542 F586V435-L437 HydrophobicContact CG1-CD2 4.13Å; V435-T448 CarbonylContact O-C 2.82Å; V435-T448 VanDerWaalsContact O-CA 3.28Å; V435-T448 WeakPolarHBondContact O-CA 3.27Å; V435-T448 PolarHBondContact O-OG1 3.45Å; V435-Y449 PolarHBondContact O-N 2.9Å; V435-W453 HydrophobicContact CB-CZ3 4.14Å; V435-W453 HydrophobicContact CG2-CE3 4.12Å; V435-W453 HydrophobicContact CG2-CH2 4.21Å; V435-W453 HydrophobicContact CG2-CZ3 3.45Å; V435-W453 VanDerWaalsContact CG2-CZ3 3.45Å; V435-L541 HydrophobicContact CG1-CD1 3.83Å; V435-L541 HydrophobicContact CG1-CD2 4.14Å; V435-L541 HydrophobicContact CG1-CG 3.8Å; V435-Y542 CarbonylContact C-O 3.54Å; V435-Y542 WeakPolarHBondContact CA-O 3.45Å; V435-F586 HydrophobicContact CG1-CE2 4.27Å; V435-F586 HydrophobicContact CG1-CZ 4.11Å; V435-F586 HydrophobicContact CG2-CE2 4.3Å; V435-F586 HydrophobicContact CG2-CZ 4.16Å
436V97.9Very high96.1Very high0 Ų023.7 Ų23.70%012%0.123CC..EExtended strand (participates in β ladder)trans-108.3131.1-178.8-174.90000109.4L446 Y447 L516 F520 Y542 V544 L608V436-L446 HydrophobicContact CG1-CD2 4.17Å; V436-Y447 CarbonylContact C-O 3.59Å; V436-Y447 WeakPolarHBondContact CA-O 3.47Å; V436-Y447 WeakPolarHBondContact CG1-O 3.47Å; V436-L516 HydrophobicContact CG2-CD1 3.96Å; V436-L516 HydrophobicContact CG2-CD2 3.94Å; V436-L516 HydrophobicContact CG2-CG 4.37Å; V436-F520 HydrophobicContact CB-CE2 4.41Å; V436-F520 HydrophobicContact CB-CZ 4.43Å; V436-F520 HydrophobicContact CG1-CE2 3.77Å; V436-F520 HydrophobicContact CG1-CZ 3.9Å; V436-Y542 PolarHBondContact N-O 3.48Å; V436-Y542 PolarHBondContact O-N 3.42Å; V436-V544 HydrophobicContact CG2-CG2 3.82Å; V436-L608 HydrophobicContact CG1-CD1 4.26Å
437L97.6Very high96.2Very high0 Ų024.2 Ų24.20%012%0.122CC..EExtended strand (participates in β ladder)trans-107.2124176.7-50.1-179.1000109.3V435 L446 Y447 A540 L541 I590 L594 I605V435-L437 HydrophobicContact CG1-CD2 4.13Å; L437-L446 WeakPolarHBondContact O-CA 3.35Å; L437-Y447 PolarHBondContact N-O 3.01Å; L437-Y447 PolarHBondContact O-N 2.87Å; L437-A540 WeakPolarHBondContact CA-O 3.42Å; L437-L541 HydrophobicContact CD2-CB 3.89Å; L437-L541 HydrophobicContact CD2-CD1 3.69Å; L437-L541 HydrophobicContact CD2-CG 3.72Å; L437-I590 HydrophobicContact CD1-CG1 4.22Å; L437-I590 HydrophobicContact CD1-CG2 4.45Å; L437-I590 HydrophobicContact CD2-CG1 4.12Å; L437-I590 HydrophobicContact CD2-CG2 4.06Å; L437-L594 HydrophobicContact CB-CD2 4.12Å; L437-I605 HydrophobicContact CD1-CD1 3.63Å; L437-I605 HydrophobicContact CD1-CG1 4.29Å; L437-I605 HydrophobicContact CD1-CG2 4.45Å
438L97.4Very high96.2Very high0 Ų020.9 Ų20.90%010%0.104CC..EExtended strand (participates in β ladder)trans-101.2110.5172.9177.963.6000109F291 S440 V441 L444 L446 F520 L532 R539 A540 Y542F291-L438 HydrophobicContact CD1-CD2 4.31Å; F291-L438 HydrophobicContact CD2-CD2 3.55Å; F291-L438 HydrophobicContact CD2-CG 4.16Å; F291-L438 HydrophobicContact CE1-CD2 4.26Å; F291-L438 HydrophobicContact CE2-CB 4.09Å; F291-L438 HydrophobicContact CE2-CD2 3.49Å; F291-L438 VanDerWaalsContact CE2-CD2 3.49Å; F291-L438 HydrophobicContact CE2-CG 3.56Å; F291-L438 HydrophobicContact CG-CD2 3.98Å; F291-L438 HydrophobicContact CZ-CD2 3.87Å; F291-L438 HydrophobicContact CZ-CG 3.79Å; L438-S440 VanDerWaalsContact CD1-O 3.28Å; L438-S440 WeakPolarHBondContact CD1-O 3.32Å; L438-V441 HydrophobicContact CD1-CG2 4.41Å; L438-V441 HydrophobicContact CD2-CG2 4.04Å; L438-L444 HydrophobicContact CD1-CD1 3.79Å; L438-L446 HydrophobicContact CB-CD2 4.23Å; L438-L446 HydrophobicContact CD1-CD2 3.58Å; L438-L446 HydrophobicContact CD1-CG 4.43Å; L438-L446 HydrophobicContact CG-CD2 4.49Å; L438-F520 HydrophobicContact CB-CE1 4.21Å; L438-F520 HydrophobicContact CD1-CD1 4.25Å; L438-F520 HydrophobicContact CD2-CD1 4.14Å; L438-F520 HydrophobicContact CD2-CE1 4.11Å; L438-L532 HydrophobicContact CD2-CD2 3.54Å; L438-R539 CarbonylContact O-C 3.55Å; L438-R539 WeakPolarHBondContact O-CA 3.4Å; L438-A540 PolarHBondContact N-O 2.92Å; L438-A540 PolarHBondContact O-N 3.31Å; L438-Y542 HydrophobicContact CB-CD2 4.47Å; L438-Y542 HydrophobicContact CB-CE2 3.9Å; L438-Y542 HydrophobicContact CD2-CE2 4.17Å
439R95.5Very high96.2Very high26 Ų2621 Ų2110%0.09811%0.105CC..EExtended strand (participates in β ladder)trans-89.4-41176.9-176.9-171.3176.4-69.5-3111.7E230 I445 Y447 R539 L594 D597E230-R439 IonicContact OE1-NH1 3.69Å; E230-R439 IonicContact OE2-NH2 2.74Å; R439-I445 HydrophobicContact CB-CB 4.21Å; R439-I445 HydrophobicContact CB-CG2 4.05Å; R439-I445 PolarHBondContact N-O 3.27Å; R439-Y447 HydrophobicContact CB-CD2 4.41Å; R439-Y447 HydrophobicContact CB-CE2 3.83Å; R439-R539 WeakPolarHBondContact O-CD 3.45Å; R439-R539 VanDerWaalsContact O-CZ 3.27Å; R439-R539 PolarHBondContact O-NE 3.43Å; R439-R539 PolarHBondContact O-NH1 3.37Å; R439-L594 HydrophobicContact CB-CD2 4.14Å; R439-D597 IonicContact CZ-OD1 3.43Å; R439-D597 VanDerWaalsContact CZ-OD1 3.23Å; R439-D597 IonicContact NE-OD1 3.1Å; R439-D597 PolarHBondContact NE-OD1 3.14Å; R439-D597 IonicContact NH2-OD1 2.81Å; R439-D597 PolarHBondContact NH2-OD1 2.84Å; R439-D597 IonicContact NH2-OD2 3.7Å; R439-D597 PolarHBondContact NH2-OD2 2.99Å
440S95.2Very high96.1Very high6 Ų624.8 Ų24.84%0.04212%0.121CC..EExtended strand (participates in β ladder)trans-152.7150.6179.4-174.50000111L438 K442 P443 L444 I445L438-S440 VanDerWaalsContact CD1-O 3.28Å; L438-S440 WeakPolarHBondContact CD1-O 3.32Å; S440-K442 PolarHBondContact OG-N 3.27Å; S440-K442 PolarHBondContact OG-O 3.23Å; S440-P443 CarbonylContact C-O 3.6Å; S440-P443 VanDerWaalsContact CB-O 3.3Å; S440-P443 WeakPolarHBondContact CB-O 3.43Å; S440-P443 PolarHBondContact OG-O 3.02Å; S440-L444 CarbonylContact O-C 3.47Å; S440-L444 WeakPolarHBondContact O-CA 3.18Å; S440-I445 PolarHBondContact O-N 3.03Å
441V94Very high96Very high7 Ų725.3 Ų25.34%0.04212%0.124CC..EExtended strand (participates in β ladder)trans-93.7-29.2174.3169.20000111.7F291 L438 P443 L444 T524 L532 H534F291-V441 HydrophobicContact CD1-CG2 3.74Å; F291-V441 HydrophobicContact CE1-CB 4.5Å; F291-V441 HydrophobicContact CE1-CG2 3.6Å; F291-V441 HydrophobicContact CZ-CG2 4.39Å; L438-V441 HydrophobicContact CD1-CG2 4.41Å; L438-V441 HydrophobicContact CD2-CG2 4.04Å; V441-P443 VanDerWaalsContact C-C 3.44Å; V441-P443 CarbonylContact C-O 3.56Å; V441-P443 CarbonylContact O-C 3.58Å; V441-L444 PolarHBondContact O-N 3.33Å; V441-T524 HydrophobicContact CB-CG2 4.25Å; V441-T524 HydrophobicContact CG1-CG2 3.42Å; V441-T524 VanDerWaalsContact CG1-CG2 3.42Å; V441-T524 HydrophobicContact CG2-CG2 4.11Å; V441-L532 HydrophobicContact CG2-CD2 3.82Å; V441-L532 HydrophobicContact CG2-CG 4.04Å; V441-H534 HydrophobicContact CB-CB 4.11Å; V441-H534 HydrophobicContact CG1-CB 4.02Å
442K91.7Very high96Very high142 Ų14225.4 Ų25.462%0.61712%0.124SC*.THydrogen-bonded Turntrans-137101.7-179.9-67.9-177.6-176.3179.70109.7S440 H534S440-K442 PolarHBondContact OG-N 3.27Å; S440-K442 PolarHBondContact OG-O 3.23Å; K442-H534 HydrophobicContact CB-CB 4.42Å; K442-H534 HydrophobicContact CD-CB 3.95Å; K442-H534 HydrophobicContact CG-CB 4.08Å; K442-H534 PolarHBondContact N-ND1 2.78Å
443P94Very high95.9Very high97 Ų9726.2 Ų26.263%0.6313%0.127SC*.THydrogen-bonded Turncis-65.6159.4-9.631.4-35.5000111.5S440 V441 I445S440-P443 CarbonylContact C-O 3.6Å; S440-P443 VanDerWaalsContact CB-O 3.3Å; S440-P443 WeakPolarHBondContact CB-O 3.43Å; S440-P443 PolarHBondContact OG-O 3.02Å; V441-P443 VanDerWaalsContact C-C 3.44Å; V441-P443 CarbonylContact C-O 3.56Å; V441-P443 CarbonylContact O-C 3.58Å; P443-I445 HydrophobicContact CG-CD1 4.12Å; P443-I445 HydrophobicContact CG-CG1 4.13Å; P443-I445 PolarHBondContact O-N 3.38Å
444L96.2Very high95.8Very high52 Ų5225 Ų2527%0.27212%0.123SC..EExtended strand (participates in β ladder)trans-66.9115.3174-17761.6000109.2L438 S440 V441 L446 F520 Q521 T524L438-L444 HydrophobicContact CD1-CD1 3.79Å; S440-L444 CarbonylContact O-C 3.47Å; S440-L444 WeakPolarHBondContact O-CA 3.18Å; V441-L444 PolarHBondContact O-N 3.33Å; L444-L446 HydrophobicContact CD1-CD1 4.08Å; L444-L446 HydrophobicContact CD1-CD2 4.21Å; L444-L446 HydrophobicContact CD1-CG 3.93Å; L444-L446 HydrophobicContact CD2-CD1 3.94Å; L444-L446 HydrophobicContact CG-CD1 3.94Å; L444-L446 HydrophobicContact CG-CG 4.05Å; L444-F520 HydrophobicContact CD1-CB 4.13Å; L444-F520 HydrophobicContact CD2-CB 4.25Å; L444-Q521 HydrophobicContact CD2-CB 4.5Å; L444-Q521 HydrophobicContact CD2-CG 3.62Å; L444-T524 HydrophobicContact CD1-CG2 4.44Å
445I96.6Very high95.5Very high26 Ų2625.7 Ų25.713%0.13313%0.126CC..EExtended strand (participates in β ladder)trans-125.2108.5178.6-56.9173000108.1R439 S440 P443 Y447R439-I445 HydrophobicContact CB-CB 4.21Å; R439-I445 HydrophobicContact CB-CG2 4.05Å; R439-I445 PolarHBondContact N-O 3.27Å; S440-I445 PolarHBondContact O-N 3.03Å; P443-I445 HydrophobicContact CG-CD1 4.12Å; P443-I445 HydrophobicContact CG-CG1 4.13Å; P443-I445 PolarHBondContact O-N 3.38Å; I445-Y447 HydrophobicContact CG2-CD2 4.34Å; I445-Y447 HydrophobicContact CG2-CE2 3.43Å; I445-Y447 VanDerWaalsContact CG2-CE2 3.43Å; I445-Y447 WeakPolarHBondContact CG2-OH 3.47Å
446L97.5Very high95.3Very high5 Ų525.7 Ų25.73%0.02613%0.125CC..EExtended strand (participates in β ladder)trans-117.3144.8-178.4-65.7165.9000110.5V436 L437 L438 L444 V517 F520 L608V436-L446 HydrophobicContact CG1-CD2 4.17Å; L437-L446 WeakPolarHBondContact O-CA 3.35Å; L438-L446 HydrophobicContact CB-CD2 4.23Å; L438-L446 HydrophobicContact CD1-CD2 3.58Å; L438-L446 HydrophobicContact CD1-CG 4.43Å; L438-L446 HydrophobicContact CG-CD2 4.49Å; L444-L446 HydrophobicContact CD1-CD1 4.08Å; L444-L446 HydrophobicContact CD1-CD2 4.21Å; L444-L446 HydrophobicContact CD1-CG 3.93Å; L444-L446 HydrophobicContact CD2-CD1 3.94Å; L444-L446 HydrophobicContact CG-CD1 3.94Å; L444-L446 HydrophobicContact CG-CG 4.05Å; L446-V517 HydrophobicContact CD1-CG2 4.32Å; L446-F520 HydrophobicContact CD1-CB 3.69Å; L446-F520 HydrophobicContact CD1-CD2 4.3Å; L446-F520 HydrophobicContact CD1-CG 4.04Å; L446-F520 HydrophobicContact CD2-CB 4.06Å; L446-F520 HydrophobicContact CD2-CD1 3.67Å; L446-F520 HydrophobicContact CD2-CD2 4.07Å; L446-F520 HydrophobicContact CD2-CE1 4.07Å; L446-F520 HydrophobicContact CD2-CE2 4.42Å; L446-F520 HydrophobicContact CD2-CG 3.65Å; L446-F520 HydrophobicContact CD2-CZ 4.42Å; L446-F520 HydrophobicContact CG-CB 4.44Å; L446-F520 HydrophobicContact CG-CG 4.49Å; L446-L608 HydrophobicContact CB-CB 3.96Å; L446-L608 HydrophobicContact CB-CD1 4.04Å; L446-L608 PolarHBondContact O-N 3.23Å
447Y97.5Very high95Very high28 Ų2825.7 Ų25.711%0.1113%0.125CC..EExtended strand (participates in β ladder)trans-131.3161168.4-51.1-95.7000109.5V436 L437 R439 I445 C600 I605 H606 K607V436-Y447 CarbonylContact C-O 3.59Å; V436-Y447 WeakPolarHBondContact CA-O 3.47Å; V436-Y447 WeakPolarHBondContact CG1-O 3.47Å; L437-Y447 PolarHBondContact N-O 3.01Å; L437-Y447 PolarHBondContact O-N 2.87Å; R439-Y447 HydrophobicContact CB-CD2 4.41Å; R439-Y447 HydrophobicContact CB-CE2 3.83Å; I445-Y447 HydrophobicContact CG2-CD2 4.34Å; I445-Y447 HydrophobicContact CG2-CE2 3.43Å; I445-Y447 VanDerWaalsContact CG2-CE2 3.43Å; I445-Y447 WeakPolarHBondContact CG2-OH 3.47Å; Y447-C600 VanDerWaalsContact CE1-SG 3.6Å; Y447-I605 VanDerWaalsContact CB-CG2 3.44Å; Y447-I605 HydrophobicContact CD1-CG2 3.92Å; Y447-I605 HydrophobicContact CG-CG2 3.94Å; Y447-H606 CarbonylContact C-O 3.56Å; Y447-H606 WeakPolarHBondContact CA-O 3.3Å; Y447-H606 WeakPolarHBondContact CB-O 3.47Å; Y447-K607 HydrophobicContact CD1-CB 3.7Å; Y447-K607 HydrophobicContact CD1-CG 3.93Å; Y447-K607 HydrophobicContact CE1-CB 3.78Å; Y447-K607 HydrophobicContact CE1-CD 4.1Å; Y447-K607 HydrophobicContact CE1-CG 3.74Å
448T96.9Very high94.6Very high1 Ų126.9 Ų26.91%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-125.7145.5168.8-173.10000109Y434 V435 I605 H606 L608Y434-T448 WeakPolarHBondContact CD1-OG1 3.22Å; V435-T448 CarbonylContact O-C 2.82Å; V435-T448 VanDerWaalsContact O-CA 3.28Å; V435-T448 WeakPolarHBondContact O-CA 3.27Å; V435-T448 PolarHBondContact O-OG1 3.45Å; T448-I605 CarbonylContact O-C 3.5Å; T448-I605 WeakPolarHBondContact O-CA 3.42Å; T448-H606 HydrophobicContact CG2-CB 3.91Å; T448-H606 PolarHBondContact N-O 2.92Å; T448-H606 PolarHBondContact O-N 3.18Å; T448-L608 HydrophobicContact CG2-CD2 3.75Å; T448-L608 HydrophobicContact CG2-CG 4.1Å
449Y95.7Very high94.3Very high3 Ų330.7 Ų30.71%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-68.6137.2169.8-159.3-105.7000108.9V435 V451 W453 F586 D589 N604 I605V435-Y449 PolarHBondContact O-N 2.9Å; Y449-V451 HydrophobicContact CD1-CB 3.74Å; Y449-V451 HydrophobicContact CD1-CG2 4.3Å; Y449-V451 HydrophobicContact CE1-CB 3.82Å; Y449-V451 HydrophobicContact CE1-CG2 3.99Å; Y449-V451 PolarHBondContact O-N 2.88Å; Y449-V451 VanDerWaalsContact O-N 3.11Å; Y449-W453 AromaticContact CD1-CH2 3.56Å; Y449-W453 HydrophobicContact CD1-CH2 3.56Å; Y449-W453 HydrophobicContact CD1-CZ2 4.44Å; Y449-W453 HydrophobicContact CD1-CZ3 4.22Å; Y449-W453 AromaticContact CE1-CH2 3.96Å; Y449-W453 HydrophobicContact CE1-CH2 3.96Å; Y449-W453 HydrophobicContact CE1-CZ2 4.45Å; Y449-W453 HydrophobicContact CG-CH2 4.41Å; Y449-F586 HydrophobicContact CD1-CD2 4.18Å; Y449-F586 HydrophobicContact CD1-CE2 4.21Å; Y449-F586 HydrophobicContact CD2-CD2 4.12Å; Y449-F586 HydrophobicContact CD2-CE2 4.2Å; Y449-F586 AromaticContact CE1-CD2 3.87Å; Y449-F586 HydrophobicContact CE1-CD2 3.87Å; Y449-F586 HydrophobicContact CE1-CE2 4.36Å; Y449-F586 AromaticContact CE2-CD2 3.83Å; Y449-F586 HydrophobicContact CE2-CD2 3.83Å; Y449-F586 HydrophobicContact CE2-CE2 4.37Å; Y449-F586 HydrophobicContact CG-CD2 4.3Å; Y449-F586 HydrophobicContact CG-CE2 4.12Å; Y449-F586 AromaticContact CZ-CD2 3.69Å; Y449-D589 HydrophobicContact CE2-CB 3.99Å; Y449-D589 PolarHBondContact OH-OD2 3.23Å; Y449-N604 WeakPolarHBondContact CD2-O 3.47Å; Y449-N604 HydrophobicContact CE1-CB 4.49Å; Y449-N604 WeakPolarHBondContact CE1-ND2 3.43Å; Y449-N604 HydrophobicContact CE2-CB 3.9Å; Y449-N604 PolarHBondContact OH-ND2 3.35Å; Y449-I605 HydrophobicContact CD2-CG1 3.85Å; Y449-I605 HydrophobicContact CE2-CG1 4.36Å
450K94.3Very high94.3Very high89 Ų8932.1 Ų32.139%0.38716%0.161SC..SBendtrans-65.5-16.3-175.8-69.8176.2-173.3158.10113C600 C603 N604 I605 H606K450-C600 PolarHBondContact NZ-O 3.47Å; K450-C603 PolarHBondContact NZ-O 2.82Å; K450-N604 WeakPolarHBondContact CB-OD1 3.45Å; K450-N604 WeakPolarHBondContact CD-OD1 3.37Å; K450-N604 PolarHBondContact N-O 3.25Å; K450-I605 WeakPolarHBondContact CE-O 3.4Å; K450-H606 HydrophobicContact CG-CB 4.14Å
451V94.2Very high94.2Very high13 Ų1333 Ų338%0.07916%0.164CC..  trans-100.2130.3174.1178.50000108.8Y449 W453 C489 N604Y449-V451 HydrophobicContact CD1-CB 3.74Å; Y449-V451 HydrophobicContact CD1-CG2 4.3Å; Y449-V451 HydrophobicContact CE1-CB 3.82Å; Y449-V451 HydrophobicContact CE1-CG2 3.99Å; Y449-V451 PolarHBondContact O-N 2.88Å; Y449-V451 VanDerWaalsContact O-N 3.11Å; V451-W453 HydrophobicContact CB-CH2 4.33Å; V451-W453 HydrophobicContact CB-CZ2 4.41Å; V451-W453 HydrophobicContact CG1-CD2 4.5Å; V451-W453 HydrophobicContact CG1-CH2 4.34Å; V451-W453 HydrophobicContact CG1-CZ2 4.03Å; V451-W453 WeakPolarHBondContact O-CZ3 3.29Å; V451-C489 HydrophobicContact CG1-CB 4.5Å; V451-N604 WeakPolarHBondContact CG2-ND2 3.43Å
452F95.5Very high94Very high6 Ų636.1 Ų36.13%0.02618%0.18CC..  trans-106.7153.1165.356.2-95.2000109.8I432 R433 Y434 L454 C489 F492 V493 W505I432-F452 HydrophobicContact CG2-CB 3.95Å; I432-F452 HydrophobicContact CG2-CD2 3.72Å; I432-F452 HydrophobicContact CG2-CG 4.03Å; R433-F452 WeakPolarHBondContact O-CA 3.44Å; R433-F452 WeakPolarHBondContact O-CB 3.45Å; Y434-F452 HydrophobicContact CD1-CB 4.09Å; Y434-F452 HydrophobicContact CD2-CB 4.08Å; Y434-F452 HydrophobicContact CE1-CB 3.95Å; Y434-F452 HydrophobicContact CE1-CD1 4.03Å; Y434-F452 HydrophobicContact CE1-CG 4.37Å; Y434-F452 HydrophobicContact CE2-CB 3.89Å; Y434-F452 HydrophobicContact CE2-CD1 4.33Å; Y434-F452 HydrophobicContact CE2-CG 4.17Å; Y434-F452 HydrophobicContact CG-CB 4.19Å; Y434-F452 AromaticContact CZ-CD1 3.66Å; Y434-F452 AromaticContact CZ-CG 3.94Å; Y434-F452 WeakPolarHBondContact OH-CD1 3.29Å; F452-L454 HydrophobicContact CD2-CD2 4.23Å; F452-L454 HydrophobicContact CD2-CG 4.17Å; F452-L454 HydrophobicContact CE2-CD1 4.12Å; F452-L454 HydrophobicContact CE2-CD2 4.11Å; F452-L454 HydrophobicContact CE2-CG 4.15Å; F452-C489 HydrophobicContact CD1-CB 3.97Å; F452-C489 HydrophobicContact CD2-CB 3.99Å; F452-C489 HydrophobicContact CE1-CB 3.71Å; F452-C489 HydrophobicContact CE2-CB 3.73Å; F452-C489 HydrophobicContact CG-CB 4.12Å; F452-C489 HydrophobicContact CZ-CB 3.58Å; F452-F492 AromaticContact CE2-CD1 3.71Å; F452-F492 HydrophobicContact CE2-CD1 3.71Å; F452-F492 HydrophobicContact CE2-CE1 4.13Å; F452-F492 HydrophobicContact CE2-CG 4.49Å; F452-F492 AromaticContact CZ-CD1 3.88Å; F452-F492 HydrophobicContact CZ-CD1 3.88Å; F452-F492 HydrophobicContact CZ-CE1 4.35Å; F452-V493 HydrophobicContact CE1-CG2 4.49Å; F452-V493 HydrophobicContact CZ-CG2 4.07Å; F452-W505 HydrophobicContact CD1-CZ2 4.38Å; F452-W505 HydrophobicContact CD2-CZ2 4.46Å; F452-W505 AromaticContact CE1-CE2 3.86Å; F452-W505 AromaticContact CE1-CZ2 3.73Å; F452-W505 HydrophobicContact CE1-CZ2 3.73Å; F452-W505 AromaticContact CE1-NE1 3.53Å; F452-W505 HydrophobicContact CE2-CH2 4.42Å; F452-W505 AromaticContact CE2-CZ2 3.82Å; F452-W505 HydrophobicContact CE2-CZ2 3.82Å; F452-W505 AromaticContact CZ-CE2 3.6Å; F452-W505 HydrophobicContact CZ-CH2 4.35Å; F452-W505 AromaticContact CZ-CZ2 3.4Å; F452-W505 HydrophobicContact CZ-CZ2 3.4Å; F452-W505 VanDerWaalsContact CZ-CZ2 3.4Å; F452-W505 AromaticContact CZ-NE1 3.64Å
453W94.5Very high93.9Very high17 Ų1732.1 Ų32.16%0.06417%0.165CC..EExtended strand (participates in β ladder)trans-108.4140.1-179.3-68.9-94.1000110.8R433 V435 Y449 V451 A579 F586R433-W453 HydrophobicContact CB-CB 4.34Å; R433-W453 PolarHBondContact N-O 2.93Å; R433-W453 PolarHBondContact O-N 2.9Å; V435-W453 HydrophobicContact CB-CZ3 4.14Å; V435-W453 HydrophobicContact CG2-CE3 4.12Å; V435-W453 HydrophobicContact CG2-CH2 4.21Å; V435-W453 HydrophobicContact CG2-CZ3 3.45Å; V435-W453 VanDerWaalsContact CG2-CZ3 3.45Å; Y449-W453 AromaticContact CD1-CH2 3.56Å; Y449-W453 HydrophobicContact CD1-CH2 3.56Å; Y449-W453 HydrophobicContact CD1-CZ2 4.44Å; Y449-W453 HydrophobicContact CD1-CZ3 4.22Å; Y449-W453 AromaticContact CE1-CH2 3.96Å; Y449-W453 HydrophobicContact CE1-CH2 3.96Å; Y449-W453 HydrophobicContact CE1-CZ2 4.45Å; Y449-W453 HydrophobicContact CG-CH2 4.41Å; V451-W453 HydrophobicContact CB-CH2 4.33Å; V451-W453 HydrophobicContact CB-CZ2 4.41Å; V451-W453 HydrophobicContact CG1-CD2 4.5Å; V451-W453 HydrophobicContact CG1-CH2 4.34Å; V451-W453 HydrophobicContact CG1-CZ2 4.03Å; V451-W453 WeakPolarHBondContact O-CZ3 3.29Å; W453-A579 HydrophobicContact CH2-CB 3.81Å; W453-A579 HydrophobicContact CZ2-CB 3.27Å; W453-F586 HydrophobicContact CH2-CD2 4.11Å; W453-F586 AromaticContact CH2-CE2 3.7Å; W453-F586 HydrophobicContact CH2-CE2 3.7Å; W453-F586 HydrophobicContact CZ2-CE2 4.44Å; W453-F586 HydrophobicContact CZ3-CE2 4.47Å
454L94Very high93.5Very high2 Ų232.3 Ų32.31%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-107.3151.1-178.9-62.7154.1000109.9F430 D431 I432 F452 F456 I487 F492 R578F430-L454 HydrophobicContact CD2-CD2 3.95Å; F430-L454 HydrophobicContact CE2-CD2 4.32Å; D431-L454 WeakPolarHBondContact O-CA 3.37Å; I432-L454 HydrophobicContact CB-CD2 4.47Å; I432-L454 HydrophobicContact CG1-CD2 3.74Å; F452-L454 HydrophobicContact CD2-CD2 4.23Å; F452-L454 HydrophobicContact CD2-CG 4.17Å; F452-L454 HydrophobicContact CE2-CD1 4.12Å; F452-L454 HydrophobicContact CE2-CD2 4.11Å; F452-L454 HydrophobicContact CE2-CG 4.15Å; L454-F456 HydrophobicContact CB-CD2 4.42Å; L454-F456 HydrophobicContact CB-CE2 3.57Å; L454-F456 HydrophobicContact CB-CZ 3.78Å; L454-F456 HydrophobicContact CD1-CE2 4.4Å; L454-F456 HydrophobicContact CD1-CZ 4.05Å; L454-F456 HydrophobicContact CG-CZ 4.35Å; L454-I487 HydrophobicContact CD1-CB 4.47Å; L454-F492 HydrophobicContact CD1-CB 3.36Å; L454-F492 HydrophobicContact CD1-CD1 3.93Å; L454-F492 HydrophobicContact CD1-CD2 3.49Å; L454-F492 VanDerWaalsContact CD1-CD2 3.49Å; L454-F492 HydrophobicContact CD1-CE2 4.24Å; L454-F492 HydrophobicContact CD1-CG 3.3Å; L454-F492 HydrophobicContact CD2-CD1 4.36Å; L454-F492 HydrophobicContact CD2-CD2 4.13Å; L454-F492 HydrophobicContact CD2-CE1 4.27Å; L454-F492 HydrophobicContact CD2-CE2 4.02Å; L454-F492 HydrophobicContact CD2-CG 4.29Å; L454-F492 HydrophobicContact CD2-CZ 4.1Å; L454-F492 HydrophobicContact CG-CD2 4.45Å; L454-F492 HydrophobicContact CG-CG 4.42Å; L454-R578 PolarHBondContact O-NH1 2.94Å
455R92Very high92.9Very high16 Ų1633.1 Ų33.16%0.0617%0.165CC..EExtended strand (participates in β ladder)trans-138.3128.7171.5-76.9-178.3-66.6-166.5-1.4107.3F430 D431 D545F430-R455 CarbonylContact C-O 3.44Å; F430-R455 WeakPolarHBondContact CA-O 3.2Å; F430-R455 WeakPolarHBondContact CB-O 3.48Å; D431-R455 VanDerWaalsContact CG-NE 3.29Å; D431-R455 PolarHBondContact N-O 3.43Å; D431-R455 PolarHBondContact O-N 3.37Å; D431-R455 VanDerWaalsContact O-N 3.08Å; D431-R455 IonicContact OD1-CZ 2.78Å; D431-R455 IonicContact OD1-NE 2.6Å; D431-R455 PolarHBondContact OD1-NE 2.99Å; D431-R455 IonicContact OD1-NH2 3.33Å; D431-R455 PolarHBondContact OD1-NH2 3.08Å; D431-R455 WeakPolarHBondContact OD2-CB 3.4Å; D431-R455 IonicContact OD2-CZ 3.23Å; D431-R455 IonicContact OD2-NE 3.1Å; D431-R455 PolarHBondContact OD2-NE 3.11Å; D431-R455 IonicContact OD2-NH2 2.86Å; R455-D545 IonicContact CZ-OD2 3.18Å; R455-D545 IonicContact NH1-OD2 3.6Å; R455-D545 IonicContact NH2-OD1 3.58Å; R455-D545 PolarHBondContact NH2-OD1 2.82Å; R455-D545 IonicContact NH2-OD2 2.93Å; R455-D545 PolarHBondContact NH2-OD2 3.15Å
456F93.1Very high92.4Very high4 Ų433.4 Ų33.42%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-113.5142-174.1-61.7-87.9000110.3F419 V428 F430 L454 K485 I487 F492F419-F456 HydrophobicContact CB-CD1 4.22Å; F419-F456 HydrophobicContact CB-CE1 3.87Å; F419-F456 HydrophobicContact CD1-CD1 4.03Å; F419-F456 AromaticContact CD1-CE1 3.52Å; F419-F456 HydrophobicContact CD1-CE1 3.52Å; F419-F456 HydrophobicContact CD1-CZ 4.33Å; F419-F456 HydrophobicContact CD2-CE1 4.38Å; F419-F456 HydrophobicContact CE1-CE1 4.13Å; F419-F456 HydrophobicContact CG-CD1 4.33Å; F419-F456 AromaticContact CG-CE1 3.66Å; F419-F456 HydrophobicContact CG-CE1 3.66Å; V428-F456 HydrophobicContact CG2-CB 4.37Å; V428-F456 HydrophobicContact CG2-CD1 4.29Å; F430-F456 HydrophobicContact CB-CD1 3.49Å; F430-F456 VanDerWaalsContact CB-CD1 3.49Å; F430-F456 HydrophobicContact CB-CE1 3.71Å; F430-F456 HydrophobicContact CB-CG 4.27Å; F430-F456 HydrophobicContact CG-CD1 4.38Å; F430-F456 HydrophobicContact CG-CE1 4.17Å; L454-F456 HydrophobicContact CB-CD2 4.42Å; L454-F456 HydrophobicContact CB-CE2 3.57Å; L454-F456 HydrophobicContact CB-CZ 3.78Å; L454-F456 HydrophobicContact CD1-CE2 4.4Å; L454-F456 HydrophobicContact CD1-CZ 4.05Å; L454-F456 HydrophobicContact CG-CZ 4.35Å; F456-K485 HydrophobicContact CB-CB 4.4Å; F456-K485 HydrophobicContact CD2-CB 4.23Å; F456-K485 HydrophobicContact CD2-CG 4.08Å; F456-I487 HydrophobicContact CE1-CD1 4.35Å; F456-I487 HydrophobicContact CE2-CB 3.97Å; F456-I487 HydrophobicContact CE2-CD1 3.91Å; F456-I487 HydrophobicContact CE2-CG1 3.85Å; F456-I487 HydrophobicContact CZ-CB 4.16Å; F456-I487 HydrophobicContact CZ-CD1 3.69Å; F456-I487 HydrophobicContact CZ-CG1 4.09Å; F456-F492 HydrophobicContact CZ-CD2 4.27Å
457A92Very high91.6Very high0 Ų035.6 Ų35.60%018%0.177CC..  trans-65.2153.5165.600000110.5R421 V428 K429 D470 Y473 T474 M476R421-A457 PolarHBondContact NH1-O 3.22Å; V428-A457 HydrophobicContact CB-CB 4.26Å; K429-A457 HydrophobicContact CB-CB 4.1Å; K429-A457 WeakPolarHBondContact O-CB 3.13Å; K429-A457 PolarHBondContact O-N 3.09Å; A457-D470 WeakPolarHBondContact CB-O 3.37Å; A457-Y473 WeakPolarHBondContact CB-O 3.08Å; A457-T474 HydrophobicContact CB-CG2 4.39Å; A457-M476 HydrophobicContact CB-CE 4.33Å
458N89.8Confident90.9Very high25 Ų2535 Ų3513%0.13418%0.177CC..SBendtrans-100.2-7-177.7-76.1-27.9000113.4R421 L424 D470 M476 E482 N483R421-N458 PolarHBondContact NH1-OD1 2.89Å; L424-N458 VanDerWaalsContact CD1-O 3.32Å; L424-N458 WeakPolarHBondContact CD1-O 3.39Å; N458-D470 HydrophobicContact CB-CB 4.09Å; N458-D470 PolarHBondContact N-O 2.86Å; N458-M476 WeakPolarHBondContact ND2-CG 3.27Å; N458-E482 WeakPolarHBondContact ND2-CB 3.5Å; N458-E482 PolarHBondContact ND2-OE2 2.6Å; N458-N483 PolarHBondContact OD1-O 3.44Å
459K91.2Very high90.1Very high80 Ų8035.7 Ų35.735%0.34818%0.18SC..SBendtrans-122.6154173-71.5176.1-177153.40111.6V428 F461 D470 R471V428-K459 WeakPolarHBondContact CG1-O 3.47Å; K459-F461 PolarHBondContact O-N 2.89Å; K459-D470 HydrophobicContact CD-CB 4.16Å; K459-D470 VanDerWaalsContact CE-OD2 3.3Å; K459-D470 WeakPolarHBondContact CE-OD2 3.5Å; K459-D470 HydrophobicContact CG-CB 4.21Å; K459-D470 PolarHBondContact N-O 2.93Å; K459-D470 IonicContact NZ-OD2 2.6Å; K459-D470 PolarHBondContact NZ-OD2 2.94Å; K459-R471 HydrophobicContact CB-CB 4.02Å
460P93.7Very high89.4Confident55 Ų5536.6 Ų36.636%0.35719%0.185SC..  trans-55.3136.3172.4-20.931000110.7A426 N427 I462 R471A426-P460 HydrophobicContact CB-CB 3.91Å; A426-P460 HydrophobicContact CB-CG 3.57Å; N427-P460 WeakPolarHBondContact O-CA 3.45Å; P460-I462 PolarHBondContact O-N 3.35Å; P460-R471 WeakPolarHBondContact O-CG 3.44Å; P460-R471 PolarHBondContact O-NE 2.96Å
461F93.7Very high89.1Confident25 Ų2534.2 Ų34.211%0.1117%0.173CC..  trans-74125.9176179.2-95.6000110.2Y412 P416 L418 N427 K429 K459 L463Y412-F461 HydrophobicContact CE1-CE2 4.33Å; Y412-F461 HydrophobicContact CE1-CZ 4.37Å; Y412-F461 WeakPolarHBondContact OH-CE2 3.14Å; P416-F461 VanDerWaalsContact CD-CZ 3.49Å; P416-F461 HydrophobicContact CG-CD1 4.04Å; P416-F461 HydrophobicContact CG-CD2 4.24Å; P416-F461 HydrophobicContact CG-CE1 3.6Å; P416-F461 HydrophobicContact CG-CE2 3.8Å; P416-F461 HydrophobicContact CG-CG 4.32Å; P416-F461 HydrophobicContact CG-CZ 3.46Å; P416-F461 VanDerWaalsContact CG-CZ 3.46Å; L418-F461 HydrophobicContact CD1-CB 3.99Å; L418-F461 HydrophobicContact CD1-CD1 4.07Å; L418-F461 HydrophobicContact CD1-CG 4.4Å; L418-F461 HydrophobicContact CD2-CB 3.54Å; L418-F461 HydrophobicContact CD2-CD1 3.92Å; L418-F461 HydrophobicContact CD2-CD2 4.45Å; L418-F461 HydrophobicContact CD2-CG 3.73Å; L418-F461 HydrophobicContact CG-CB 4.45Å; N427-F461 PolarHBondContact O-N 2.73Å; N427-F461 VanDerWaalsContact O-N 3.11Å; K429-F461 HydrophobicContact CB-CD2 4.16Å; K429-F461 HydrophobicContact CD-CD2 4.18Å; K429-F461 HydrophobicContact CD-CE2 4.22Å; K459-F461 PolarHBondContact O-N 2.89Å; F461-L463 HydrophobicContact CE1-CD2 3.93Å; F461-L463 HydrophobicContact CE1-CG 4.13Å; F461-L463 HydrophobicContact CZ-CD2 3.54Å; F461-L463 HydrophobicContact CZ-CG 4.25Å
462I90.7Very high88.8Confident73 Ų7333.7 Ų33.737%0.37417%0.17SC..  trans-139157.2164.766.8174.9000108.3P460 D464 R471 H472P460-I462 PolarHBondContact O-N 3.35Å; I462-D464 HydrophobicContact CD1-CB 4.05Å; I462-D464 HydrophobicContact CG1-CB 4.23Å; I462-D464 PolarHBondContact O-N 3.04Å; I462-D464 VanDerWaalsContact O-N 3.16Å; I462-R471 VanDerWaalsContact CD1-CZ 3.45Å; I462-H472 PolarHBondContact O-CE1 3.14Å
463L89.4Confident88.3Confident57 Ų5734.9 Ų34.930%0.29817%0.174SC..SBendtrans-88.355.9177.2-67.2175.7000111.2R372 L375 Y412 T414 F461R372-L463 HydrophobicContact CG-CD1 3.99Å; L375-L463 HydrophobicContact CD2-CD2 4.43Å; Y412-L463 HydrophobicContact CE1-CD2 4.2Å; T414-L463 HydrophobicContact CG2-CD1 4.41Å; T414-L463 HydrophobicContact CG2-CD2 4.04Å; T414-L463 WeakPolarHBondContact O-CD1 3.48Å; F461-L463 HydrophobicContact CE1-CD2 3.93Å; F461-L463 HydrophobicContact CE1-CG 4.13Å; F461-L463 HydrophobicContact CZ-CD2 3.54Å; F461-L463 HydrophobicContact CZ-CG 4.25Å
464D85.6Confident87.6Confident102 Ų10234.7 Ų34.755%0.54518%0.175SC..SBendtrans-160.1163.1-179.7-173.820.4000108.9I462 R471 H472I462-D464 HydrophobicContact CD1-CB 4.05Å; I462-D464 HydrophobicContact CG1-CB 4.23Å; I462-D464 PolarHBondContact O-N 3.04Å; I462-D464 VanDerWaalsContact O-N 3.16Å; D464-R471 PolarHBondContact O-NH1 3.24Å; D464-H472 PolarHBondContact O-NE2 3.36Å
465D82.3Confident86.7Confident68 Ų6835.7 Ų35.736%0.36418%0.182SC..  trans5654.7-177.9-17630.1000110.9D467 S468 R471 H472D465-D467 PolarHBondContact O-N 3.17Å; D465-S468 WeakPolarHBondContact O-CB 3.39Å; D465-S468 PolarHBondContact O-N 3.11Å; D465-S468 VanDerWaalsContact OD2-CB 3.24Å; D465-S468 WeakPolarHBondContact OD2-CB 3.44Å; D465-S468 PolarHBondContact OD2-OG 2.83Å; D465-R471 IonicContact OD2-NH1 3.25Å; D465-H472 PolarHBondContact O-CD2 3.13Å; D465-H472 PolarHBondContact O-NE2 2.92Å
466F87Confident85.9Confident33 Ų3335 Ų3515%0.14518%0.179CC..THydrogen-bonded Turntrans-61.4-15.9-172.8-61.8-57.7000114.9L375 I391 S468 H472L375-F466 HydrophobicContact CD1-CD1 4.33Å; L375-F466 HydrophobicContact CD1-CD2 4.13Å; L375-F466 HydrophobicContact CD1-CE1 4.01Å; L375-F466 HydrophobicContact CD1-CE2 3.77Å; L375-F466 HydrophobicContact CD1-CG 4.4Å; L375-F466 HydrophobicContact CD1-CZ 3.72Å; L375-F466 HydrophobicContact CD2-CD1 4.11Å; L375-F466 HydrophobicContact CD2-CE1 3.32Å; L375-F466 HydrophobicContact CD2-CE2 4.39Å; L375-F466 HydrophobicContact CD2-CZ 3.5Å; L375-F466 VanDerWaalsContact CD2-CZ 3.5Å; L375-F466 HydrophobicContact CG-CE1 4.31Å; L375-F466 HydrophobicContact CG-CZ 4.29Å; I391-F466 HydrophobicContact CB-CB 4.03Å; I391-F466 HydrophobicContact CG2-CB 3.98Å; I391-F466 HydrophobicContact CG2-CD1 3.69Å; I391-F466 HydrophobicContact CG2-CE1 4.45Å; I391-F466 HydrophobicContact CG2-CG 3.93Å; I391-F466 WeakPolarHBondContact O-CB 3.38Å; F466-S468 VanDerWaalsContact C-N 3.3Å; F466-H472 AromaticContact CD1-CE1 3.61Å; F466-H472 AromaticContact CD1-NE2 3.95Å
467D81.4Confident84.5Confident51 Ų5137.8 Ų37.827%0.27319%0.194SC..THydrogen-bonded Turntrans-81.8-9.8174.4-61.1-51.5000112.5R397 D465 Y469R397-D467 IonicContact CZ-OD1 3.72Å; R397-D467 IonicContact NH1-OD1 3.41Å; R397-D467 PolarHBondContact NH1-OD1 3.15Å; R397-D467 IonicContact NH1-OD2 3.79Å; R397-D467 IonicContact NH2-OD1 3.46Å; R397-D467 PolarHBondContact NH2-OD1 2.92Å; D465-D467 PolarHBondContact O-N 3.17Å; D467-Y469 PolarHBondContact O-N 3.5Å
468S81.6Confident82.9Confident16 Ų1642.7 Ų42.711%0.11221%0.213CC..  trans-71.794.3176.6-155.30000111.7D465 F466 D470 R471 H472D465-S468 WeakPolarHBondContact O-CB 3.39Å; D465-S468 PolarHBondContact O-N 3.11Å; D465-S468 VanDerWaalsContact OD2-CB 3.24Å; D465-S468 WeakPolarHBondContact OD2-CB 3.44Å; D465-S468 PolarHBondContact OD2-OG 2.83Å; F466-S468 VanDerWaalsContact C-N 3.3Å; S468-D470 VanDerWaalsContact C-N 3.33Å; S468-D470 PolarHBondContact O-N 3.41Å; S468-R471 PolarHBondContact O-N 2.86Å; S468-H472 PolarHBondContact O-CD2 3.08Å; S468-H472 PolarHBondContact O-N 2.9Å
469Y80.6Confident81.5Confident15 Ų1546 Ų466%0.05922%0.224CC..Hα-helixtrans-53.5-50.5-173.7-177.7-90000112.4D467 R471 H472 Y473 V475 M476D467-Y469 PolarHBondContact O-N 3.5Å; Y469-R471 PolarHBondContact O-N 3.44Å; Y469-H472 PolarHBondContact O-N 3.45Å; Y469-Y473 HydrophobicContact CD1-CD2 4.38Å; Y469-Y473 AromaticContact CD2-CD2 3.09Å; Y469-Y473 HydrophobicContact CD2-CD2 3.09Å; Y469-Y473 AromaticContact CD2-CE2 3.61Å; Y469-Y473 HydrophobicContact CD2-CE2 3.61Å; Y469-Y473 AromaticContact CD2-CG 3.83Å; Y469-Y473 HydrophobicContact CD2-CG 3.83Å; Y469-Y473 AromaticContact CE2-CD2 3.45Å; Y469-Y473 HydrophobicContact CE2-CD2 3.45Å; Y469-Y473 VanDerWaalsContact CE2-CD2 3.45Å; Y469-Y473 HydrophobicContact CE2-CE2 4.15Å; Y469-Y473 AromaticContact CE2-CG 3.68Å; Y469-Y473 HydrophobicContact CE2-CG 3.68Å; Y469-Y473 AromaticContact CG-CD2 3.62Å; Y469-Y473 HydrophobicContact CG-CD2 3.62Å; Y469-Y473 HydrophobicContact CG-CE2 4.32Å; Y469-Y473 HydrophobicContact CG-CG 4.43Å; Y469-Y473 VanDerWaalsContact O-CD2 3.27Å; Y469-Y473 WeakPolarHBondContact O-CD2 3.35Å; Y469-Y473 PolarHBondContact O-N 2.68Å; Y469-V475 PolarHBondContact OH-O 3.06Å; Y469-M476 HydrophobicContact CD1-SD 4.21Å; Y469-M476 HydrophobicContact CE1-CE 4.45Å; Y469-M476 HydrophobicContact CE1-SD 3.83Å
470D81.2Confident79.6Confident21 Ų2148 Ų4811%0.11225%0.248CC..Hα-helixtrans-73.5-4.3-168.8-21.2-42.9000113.9A457 N458 K459 S468 M476 E482A457-D470 WeakPolarHBondContact CB-O 3.37Å; N458-D470 HydrophobicContact CB-CB 4.09Å; N458-D470 PolarHBondContact N-O 2.86Å; K459-D470 HydrophobicContact CD-CB 4.16Å; K459-D470 VanDerWaalsContact CE-OD2 3.3Å; K459-D470 WeakPolarHBondContact CE-OD2 3.5Å; K459-D470 HydrophobicContact CG-CB 4.21Å; K459-D470 PolarHBondContact N-O 2.93Å; K459-D470 IonicContact NZ-OD2 2.6Å; K459-D470 PolarHBondContact NZ-OD2 2.94Å; S468-D470 VanDerWaalsContact C-N 3.33Å; S468-D470 PolarHBondContact O-N 3.41Å; D470-M476 HydrophobicContact CB-CE 4.04Å; D470-M476 HydrophobicContact CB-SD 4.42Å; D470-E482 VanDerWaalsContact CG-OE1 3.3Å
471R86.8Confident77.6Confident40 Ų4050.4 Ų50.415%0.15127%0.273CS..Hα-helixtrans-96.2-43.4175.2171.7174.5-70.9166.63112.2K459 P460 I462 D464 D465 S468 Y469K459-R471 HydrophobicContact CB-CB 4.02Å; P460-R471 WeakPolarHBondContact O-CG 3.44Å; P460-R471 PolarHBondContact O-NE 2.96Å; I462-R471 VanDerWaalsContact CD1-CZ 3.45Å; D464-R471 PolarHBondContact O-NH1 3.24Å; D465-R471 IonicContact OD2-NH1 3.25Å; S468-R471 PolarHBondContact O-N 2.86Å; Y469-R471 PolarHBondContact O-N 3.44Å
472H87.9Confident75.9Confident2 Ų252.4 Ų52.41%0.00928%0.282CS..Hα-helixtrans-98.5-24.6-170.4-64.9-75.2000113.9I391 Y412 K429 I462 D464 D465 F466 S468 Y469I391-H472 HydrophobicContact CD1-CB 3.53Å; Y412-H472 AromaticContact CZ-ND1 3.89Å; Y412-H472 PolarHBondContact OH-ND1 3.19Å; Y412-H472 VanDerWaalsContact OH-ND1 3.11Å; K429-H472 WeakPolarHBondContact CD-O 3.45Å; K429-H472 PolarHBondContact NZ-O 3Å; I462-H472 PolarHBondContact O-CE1 3.14Å; D464-H472 PolarHBondContact O-NE2 3.36Å; D465-H472 PolarHBondContact O-CD2 3.13Å; D465-H472 PolarHBondContact O-NE2 2.92Å; F466-H472 AromaticContact CD1-CE1 3.61Å; F466-H472 AromaticContact CD1-NE2 3.95Å; S468-H472 PolarHBondContact O-CD2 3.08Å; S468-H472 PolarHBondContact O-N 2.9Å; Y469-H472 PolarHBondContact O-N 3.45Å
473Y85.6Confident74.8Confident30 Ų3055.4 Ų55.412%0.11830%0.299CS..  trans-105.4163.2175.3-51.1-74.6000110.8I377 I389 I391 A457 Y469 M476I377-Y473 HydrophobicContact CD1-CE1 4.33Å; I389-Y473 HydrophobicContact CB-CE1 4.01Å; I389-Y473 HydrophobicContact CD1-CE1 4.46Å; I389-Y473 HydrophobicContact CG2-CE1 3.61Å; I389-Y473 WeakPolarHBondContact CG2-OH 3.37Å; I389-Y473 PolarHBondContact O-OH 2.88Å; I391-Y473 HydrophobicContact CD1-CE1 4.14Å; A457-Y473 WeakPolarHBondContact CB-O 3.08Å; Y469-Y473 HydrophobicContact CD1-CD2 4.38Å; Y469-Y473 AromaticContact CD2-CD2 3.09Å; Y469-Y473 HydrophobicContact CD2-CD2 3.09Å; Y469-Y473 AromaticContact CD2-CE2 3.61Å; Y469-Y473 HydrophobicContact CD2-CE2 3.61Å; Y469-Y473 AromaticContact CD2-CG 3.83Å; Y469-Y473 HydrophobicContact CD2-CG 3.83Å; Y469-Y473 AromaticContact CE2-CD2 3.45Å; Y469-Y473 HydrophobicContact CE2-CD2 3.45Å; Y469-Y473 VanDerWaalsContact CE2-CD2 3.45Å; Y469-Y473 HydrophobicContact CE2-CE2 4.15Å; Y469-Y473 AromaticContact CE2-CG 3.68Å; Y469-Y473 HydrophobicContact CE2-CG 3.68Å; Y469-Y473 AromaticContact CG-CD2 3.62Å; Y469-Y473 HydrophobicContact CG-CD2 3.62Å; Y469-Y473 HydrophobicContact CG-CE2 4.32Å; Y469-Y473 HydrophobicContact CG-CG 4.43Å; Y469-Y473 VanDerWaalsContact O-CD2 3.27Å; Y469-Y473 WeakPolarHBondContact O-CD2 3.35Å; Y469-Y473 PolarHBondContact O-N 2.68Å; Y473-M476 WeakPolarHBondContact O-CE 3.43Å
474T79.2Confident74.1Confident13 Ų1355.9 Ų55.98%0.0830%0.301CS..  trans-124.2-11.6-174.845.60000111.7K429 D431 A457 M476K429-T474 HydrophobicContact CB-CG2 4.32Å; K429-T474 HydrophobicContact CG-CG2 4.16Å; D431-T474 WeakPolarHBondContact OD2-CB 3.28Å; D431-T474 PolarHBondContact OD2-OG1 2.92Å; A457-T474 HydrophobicContact CB-CG2 4.39Å; T474-M476 PolarHBondContact O-N 3.24Å; T474-M476 VanDerWaalsContact O-N 3.09Å
475V77.1Confident74Confident24 Ų2454.3 Ų54.315%0.14529%0.29CS..  trans-82.885.6179.7-171.80000109.8Y469 N477 Y478Y469-V475 PolarHBondContact OH-O 3.06Å; V475-N477 WeakPolarHBondContact CG1-OD1 3.35Å; V475-Y478 HydrophobicContact CG1-CD2 3.56Å; V475-Y478 HydrophobicContact CG1-CE2 3.82Å
476M74.4Confident74.1Confident2 Ų253.6 Ų53.61%0.0128%0.284CS..  trans-95.2-10.2-175.7-56.3-53.6173.400114.2A457 N458 Y469 D470 Y473 T474 Y478 L484A457-M476 HydrophobicContact CB-CE 4.33Å; N458-M476 WeakPolarHBondContact ND2-CG 3.27Å; Y469-M476 HydrophobicContact CD1-SD 4.21Å; Y469-M476 HydrophobicContact CE1-CE 4.45Å; Y469-M476 HydrophobicContact CE1-SD 3.83Å; D470-M476 HydrophobicContact CB-CE 4.04Å; D470-M476 HydrophobicContact CB-SD 4.42Å; Y473-M476 WeakPolarHBondContact O-CE 3.43Å; T474-M476 PolarHBondContact O-N 3.24Å; T474-M476 VanDerWaalsContact O-N 3.09Å; M476-Y478 VanDerWaalsContact C-N 3.3Å; M476-Y478 PolarHBondContact O-N 2.99Å; M476-L484 HydrophobicContact CB-CD1 4.34Å
477N64.1Low74.2Confident61 Ų6152.6 Ų52.633%0.32628%0.28SS..THydrogen-bonded Turntrans-72.1-16.7-173.554.9-48.6000114.8V475 L484V475-N477 WeakPolarHBondContact CG1-OD1 3.35Å; N477-L484 HydrophobicContact CB-CD1 4.25Å; N477-L484 HydrophobicContact CB-CD2 4.25Å
478Y58Low74.6Confident104 Ų10454 Ų5441%0.40829%0.285SS..THydrogen-bonded Turntrans-101.4-7.4-176.4-63-68.2000114.6R385 V475 M476R385-Y478 HydrophobicContact CB-CD2 4.16Å; R385-Y478 HydrophobicContact CB-CE2 4.41Å; R385-Y478 HydrophobicContact CG-CD2 4.16Å; R385-Y478 HydrophobicContact CG-CE2 3.97Å; V475-Y478 HydrophobicContact CG1-CD2 3.56Å; V475-Y478 HydrophobicContact CG1-CE2 3.82Å; M476-Y478 VanDerWaalsContact C-N 3.3Å; M476-Y478 PolarHBondContact O-N 2.99Å
479R60.4Low75.1Confident94 Ų9454.3 Ų54.336%0.35529%0.287SS..SBendtrans-103.5117.3174.7-67.4-170.7178-153.2-0.6108.4A481R479-A481 PolarHBondContact O-N 3.37Å
480S50.6Low75.6Confident122 Ų12258.8 Ų58.885%0.85331%0.312SS*.THydrogen-bonded Turntrans-60.5116.7-170.549.30000111.8
481A51.5Low76.3Confident106 Ų10662 Ų6288%0.87633%0.326SS*.THydrogen-bonded Turntrans101.613167.600000119R479R479-A481 PolarHBondContact O-N 3.37Å
482E58.9Low76.7Confident66 Ų6660 Ų6031%0.30832%0.319SS..  trans-91.6143.9172.3-70-168-168.600114.2N458 D470 L484N458-E482 WeakPolarHBondContact ND2-CB 3.5Å; N458-E482 PolarHBondContact ND2-OE2 2.6Å; D470-E482 VanDerWaalsContact CG-OE1 3.3Å; E482-L484 PolarHBondContact O-N 3.41Å
483N67.1Low77.2Confident136 Ų13661.9 Ų61.973%0.72733%0.33SS*.  trans-65.195.8-179.5-75.7-30.8000111N458 K485N458-N483 PolarHBondContact OD1-O 3.44Å; N483-K485 PolarHBondContact O-N 2.81Å
484L75.6Confident77.7Confident67 Ų6767.4 Ų67.435%0.35136%0.357SS..  trans-68.797.4174-171.667.7000109.9M476 N477 E482 Q486M476-L484 HydrophobicContact CB-CD1 4.34Å; N477-L484 HydrophobicContact CB-CD1 4.25Å; N477-L484 HydrophobicContact CB-CD2 4.25Å; E482-L484 PolarHBondContact O-N 3.41Å; L484-Q486 VanDerWaalsContact CG-NE2 3.26Å; L484-Q486 PolarHBondContact O-N 2.87Å
485K82.4Confident78.6Confident70 Ų7069.6 Ų69.630%0.30437%0.368SS..  trans-67115.8174.1-177.867.9178.1-175.50109.4F456 N483 I487F456-K485 HydrophobicContact CB-CB 4.4Å; F456-K485 HydrophobicContact CD2-CB 4.23Å; F456-K485 HydrophobicContact CD2-CG 4.08Å; N483-K485 PolarHBondContact O-N 2.81Å; K485-I487 HydrophobicContact CD-CG1 4.48Å; K485-I487 HydrophobicContact CG-CD1 4.4Å; K485-I487 HydrophobicContact CG-CG1 4.19Å
486Q84.2Confident79.6Confident52 Ų5268.5 Ų68.524%0.24336%0.361CS..  trans-102130.4171.1-61.9-64.3-14.800109.2L484L484-Q486 VanDerWaalsContact CG-NE2 3.26Å; L484-Q486 PolarHBondContact O-N 2.87Å
487I88.9Confident80.7Confident12 Ų1270.2 Ų70.26%0.06237%0.37CS..  trans-132.7128.4169.1-57.1-176000105.6F419 L454 F456 K485 E491 F492F419-I487 HydrophobicContact CD1-CD1 4.37Å; F419-I487 HydrophobicContact CE1-CD1 3.46Å; F419-I487 VanDerWaalsContact CE1-CD1 3.46Å; F419-I487 HydrophobicContact CZ-CD1 3.74Å; L454-I487 HydrophobicContact CD1-CB 4.47Å; F456-I487 HydrophobicContact CE1-CD1 4.35Å; F456-I487 HydrophobicContact CE2-CB 3.97Å; F456-I487 HydrophobicContact CE2-CD1 3.91Å; F456-I487 HydrophobicContact CE2-CG1 3.85Å; F456-I487 HydrophobicContact CZ-CB 4.16Å; F456-I487 HydrophobicContact CZ-CD1 3.69Å; F456-I487 HydrophobicContact CZ-CG1 4.09Å; K485-I487 HydrophobicContact CD-CG1 4.48Å; K485-I487 HydrophobicContact CG-CD1 4.4Å; K485-I487 HydrophobicContact CG-CG1 4.19Å; I487-E491 HydrophobicContact CG2-CB 4.06Å; I487-E491 HydrophobicContact CG2-CG 4.07Å; I487-F492 HydrophobicContact CG2-CB 3.81Å
488H90.7Very high82.3Confident82 Ų8275.6 Ų75.638%0.3839%0.391SS..  trans-74.7152176.6-69.6-78.7000110.4N490 E491 F492 Y582H488-N490 VanDerWaalsContact C-N 3.3Å; H488-N490 WeakPolarHBondContact CB-OD1 3.36Å; H488-N490 PolarHBondContact O-N 3.41Å; H488-E491 PolarHBondContact O-N 3.07Å; H488-F492 WeakPolarHBondContact O-CB 3.37Å; H488-F492 PolarHBondContact O-N 3.17Å; H488-Y582 AromaticContact CE1-CD1 3.71Å; H488-Y582 AromaticContact CE1-CG 3.85Å
489C91.5Very high84.1Confident22 Ų2273.3 Ų73.315%0.14938%0.384CS..Hα-helixtrans-56.4-42.2-173.961.50000112.9V451 F452 F492 V493V451-C489 HydrophobicContact CG1-CB 4.5Å; F452-C489 HydrophobicContact CD1-CB 3.97Å; F452-C489 HydrophobicContact CD2-CB 3.99Å; F452-C489 HydrophobicContact CE1-CB 3.71Å; F452-C489 HydrophobicContact CE2-CB 3.73Å; F452-C489 HydrophobicContact CG-CB 4.12Å; F452-C489 HydrophobicContact CZ-CB 3.58Å; C489-F492 PolarHBondContact O-N 3.5Å; C489-V493 VanDerWaalsContact O-CG2 3.3Å; C489-V493 WeakPolarHBondContact O-CG2 3.28Å; C489-V493 PolarHBondContact O-N 3.41Å
490N92.2Very high85.9Confident108 Ų10870.8 Ų70.858%0.57838%0.375SS*.Hα-helixtrans-61-46.8178.460.4-34.9000112.6H488 F492 V493 E494H488-N490 VanDerWaalsContact C-N 3.3Å; H488-N490 WeakPolarHBondContact CB-OD1 3.36Å; H488-N490 PolarHBondContact O-N 3.41Å; N490-F492 VanDerWaalsContact C-N 3.34Å; N490-V493 PolarHBondContact O-N 3.21Å; N490-E494 PolarHBondContact O-N 2.91Å
491E95Very high88Confident88 Ų8868.6 Ų68.641%0.41136%0.358SS..Hα-helixtrans-63.6-42.8175.6-176.3-173.2175.300110.8I487 H488 V493 E494 L495I487-E491 HydrophobicContact CG2-CB 4.06Å; I487-E491 HydrophobicContact CG2-CG 4.07Å; H488-E491 PolarHBondContact O-N 3.07Å; E491-V493 VanDerWaalsContact C-N 3.34Å; E491-V493 PolarHBondContact O-N 2.98Å; E491-E494 PolarHBondContact O-N 3.3Å; E491-L495 HydrophobicContact CG-CD1 3.92Å; E491-L495 HydrophobicContact CG-CG 4.45Å; E491-L495 VanDerWaalsContact O-CG 3.32Å; E491-L495 WeakPolarHBondContact O-CG 3.36Å; E491-L495 PolarHBondContact O-N 2.86Å
492F96.6Very high90Very high0 Ų070.5 Ų70.50%035%0.353CS..Hα-helixtrans-60.6-42.6177.9170.9-94000112.1F419 F430 F452 L454 F456 I487 H488 C489 N490 E494 L495 F496 W505F419-F492 AromaticContact CD2-CD2 3.94Å; F419-F492 HydrophobicContact CD2-CD2 3.94Å; F419-F492 AromaticContact CD2-CE2 3.59Å; F419-F492 HydrophobicContact CD2-CE2 3.59Å; F419-F492 AromaticContact CE2-CD2 3.69Å; F419-F492 HydrophobicContact CE2-CD2 3.69Å; F419-F492 AromaticContact CE2-CE2 3.83Å; F419-F492 HydrophobicContact CE2-CE2 3.83Å; F419-F492 HydrophobicContact CG-CE2 4.42Å; F419-F492 HydrophobicContact CZ-CD2 4.38Å; F430-F492 HydrophobicContact CD2-CE2 4.21Å; F430-F492 HydrophobicContact CD2-CZ 4.29Å; F430-F492 AromaticContact CE2-CE2 3.84Å; F430-F492 HydrophobicContact CE2-CE2 3.84Å; F430-F492 AromaticContact CE2-CZ 3.52Å; F430-F492 HydrophobicContact CE2-CZ 3.52Å; F430-F492 HydrophobicContact CZ-CE2 4.21Å; F430-F492 AromaticContact CZ-CZ 3.9Å; F430-F492 HydrophobicContact CZ-CZ 3.9Å; F452-F492 AromaticContact CE2-CD1 3.71Å; F452-F492 HydrophobicContact CE2-CD1 3.71Å; F452-F492 HydrophobicContact CE2-CE1 4.13Å; F452-F492 HydrophobicContact CE2-CG 4.49Å; F452-F492 AromaticContact CZ-CD1 3.88Å; F452-F492 HydrophobicContact CZ-CD1 3.88Å; F452-F492 HydrophobicContact CZ-CE1 4.35Å; L454-F492 HydrophobicContact CD1-CB 3.36Å; L454-F492 HydrophobicContact CD1-CD1 3.93Å; L454-F492 HydrophobicContact CD1-CD2 3.49Å; L454-F492 VanDerWaalsContact CD1-CD2 3.49Å; L454-F492 HydrophobicContact CD1-CE2 4.24Å; L454-F492 HydrophobicContact CD1-CG 3.3Å; L454-F492 HydrophobicContact CD2-CD1 4.36Å; L454-F492 HydrophobicContact CD2-CD2 4.13Å; L454-F492 HydrophobicContact CD2-CE1 4.27Å; L454-F492 HydrophobicContact CD2-CE2 4.02Å; L454-F492 HydrophobicContact CD2-CG 4.29Å; L454-F492 HydrophobicContact CD2-CZ 4.1Å; L454-F492 HydrophobicContact CG-CD2 4.45Å; L454-F492 HydrophobicContact CG-CG 4.42Å; F456-F492 HydrophobicContact CZ-CD2 4.27Å; I487-F492 HydrophobicContact CG2-CB 3.81Å; H488-F492 WeakPolarHBondContact O-CB 3.37Å; H488-F492 PolarHBondContact O-N 3.17Å; C489-F492 PolarHBondContact O-N 3.5Å; N490-F492 VanDerWaalsContact C-N 3.34Å; F492-E494 VanDerWaalsContact C-N 3.35Å; F492-E494 PolarHBondContact O-N 3.26Å; F492-L495 PolarHBondContact O-N 3.46Å; F492-F496 HydrophobicContact CD1-CB 4.49Å; F492-F496 HydrophobicContact CE1-CB 4.15Å; F492-F496 HydrophobicContact CE1-CD2 4.15Å; F492-F496 HydrophobicContact CE1-CG 4.3Å; F492-F496 HydrophobicContact CE2-CD2 4.26Å; F492-F496 HydrophobicContact CZ-CB 4.19Å; F492-F496 AromaticContact CZ-CD2 3.61Å; F492-F496 HydrophobicContact CZ-CD2 3.61Å; F492-F496 HydrophobicContact CZ-CE2 4.37Å; F492-F496 HydrophobicContact CZ-CG 4.18Å; F492-F496 WeakPolarHBondContact O-CB 3.46Å; F492-F496 PolarHBondContact O-N 3.03Å; F492-W505 HydrophobicContact CE1-CD2 4.1Å; F492-W505 AromaticContact CE1-CE3 3.68Å; F492-W505 HydrophobicContact CE1-CE3 3.68Å; F492-W505 AromaticContact CE1-CH2 3.6Å; F492-W505 HydrophobicContact CE1-CH2 3.6Å; F492-W505 HydrophobicContact CE1-CZ2 4.05Å; F492-W505 AromaticContact CE1-CZ3 3.42Å; F492-W505 HydrophobicContact CE1-CZ3 3.42Å; F492-W505 VanDerWaalsContact CE1-CZ3 3.42Å; F492-W505 HydrophobicContact CZ-CE3 4.37Å; F492-W505 HydrophobicContact CZ-CH2 4.27Å; F492-W505 AromaticContact CZ-CZ3 3.89Å; F492-W505 HydrophobicContact CZ-CZ3 3.89Å
493V97.3Very high91.7Very high41 Ų4169.5 Ų69.525%0.24835%0.348CS..Hα-helixtrans-58.6-46.8178.3169.80000111.2F452 C489 N490 E491 L495 F496 D497 W505F452-V493 HydrophobicContact CE1-CG2 4.49Å; F452-V493 HydrophobicContact CZ-CG2 4.07Å; C489-V493 VanDerWaalsContact O-CG2 3.3Å; C489-V493 WeakPolarHBondContact O-CG2 3.28Å; C489-V493 PolarHBondContact O-N 3.41Å; N490-V493 PolarHBondContact O-N 3.21Å; E491-V493 VanDerWaalsContact C-N 3.34Å; E491-V493 PolarHBondContact O-N 2.98Å; V493-L495 PolarHBondContact O-N 3.13Å; V493-F496 PolarHBondContact O-N 3.18Å; V493-D497 WeakPolarHBondContact O-CB 3.32Å; V493-D497 PolarHBondContact O-N 2.93Å; V493-W505 HydrophobicContact CB-CG 4.48Å; V493-W505 HydrophobicContact CG1-CB 4.04Å; V493-W505 HydrophobicContact CG1-CG 4.3Å; V493-W505 HydrophobicContact CG2-CB 4.37Å; V493-W505 HydrophobicContact CG2-CD2 4.39Å; V493-W505 HydrophobicContact CG2-CG 3.76Å
494E97Very high93.1Very high146 Ų14667.1 Ų67.168%0.68233%0.331SS*.Hα-helixtrans-62.3-44.1178.2-67.5179.7-171.300112.1N490 E491 F492 K498N490-E494 PolarHBondContact O-N 2.91Å; E491-E494 PolarHBondContact O-N 3.3Å; F492-E494 VanDerWaalsContact C-N 3.35Å; F492-E494 PolarHBondContact O-N 3.26Å; E494-K498 WeakPolarHBondContact O-CB 3.28Å; E494-K498 PolarHBondContact O-N 3.09Å
495L97.1Very high94.1Very high59 Ų5964 Ų6431%0.30932%0.315SS..Hα-helixtrans-67.7-41.3178.8-68175.3000111.9F419 E491 F492 V493 K498 Q499F419-L495 HydrophobicContact CE2-CB 4.01Å; F419-L495 HydrophobicContact CZ-CB 3.99Å; F419-L495 HydrophobicContact CZ-CD1 3.91Å; E491-L495 HydrophobicContact CG-CD1 3.92Å; E491-L495 HydrophobicContact CG-CG 4.45Å; E491-L495 VanDerWaalsContact O-CG 3.32Å; E491-L495 WeakPolarHBondContact O-CG 3.36Å; E491-L495 PolarHBondContact O-N 2.86Å; F492-L495 PolarHBondContact O-N 3.46Å; V493-L495 PolarHBondContact O-N 3.13Å; L495-K498 PolarHBondContact O-N 3.13Å; L495-Q499 WeakPolarHBondContact O-CB 3.27Å; L495-Q499 PolarHBondContact O-N 2.83Å
496F97.7Very high94.8Very high0 Ų064.6 Ų64.60%033%0.328CS..Hα-helixtrans-63.6-47.6177.9-175-86.6000110.9V417 F430 F492 V493 K498 Q499 Y500 H503 W505 V508 L548 I563V417-F496 HydrophobicContact CG1-CE2 4.02Å; V417-F496 HydrophobicContact CG1-CZ 4.43Å; F430-F496 HydrophobicContact CZ-CE2 4.35Å; F492-F496 HydrophobicContact CD1-CB 4.49Å; F492-F496 HydrophobicContact CE1-CB 4.15Å; F492-F496 HydrophobicContact CE1-CD2 4.15Å; F492-F496 HydrophobicContact CE1-CG 4.3Å; F492-F496 HydrophobicContact CE2-CD2 4.26Å; F492-F496 HydrophobicContact CZ-CB 4.19Å; F492-F496 AromaticContact CZ-CD2 3.61Å; F492-F496 HydrophobicContact CZ-CD2 3.61Å; F492-F496 HydrophobicContact CZ-CE2 4.37Å; F492-F496 HydrophobicContact CZ-CG 4.18Å; F492-F496 WeakPolarHBondContact O-CB 3.46Å; F492-F496 PolarHBondContact O-N 3.03Å; V493-F496 PolarHBondContact O-N 3.18Å; F496-K498 PolarHBondContact O-N 3.09Å; F496-Q499 PolarHBondContact O-N 3.22Å; F496-Q499 VanDerWaalsContact O-N 3.09Å; F496-Y500 HydrophobicContact CD1-CD2 4.45Å; F496-Y500 AromaticContact CD2-CD2 3.86Å; F496-Y500 HydrophobicContact CD2-CD2 3.86Å; F496-Y500 HydrophobicContact CD2-CE2 4.28Å; F496-Y500 HydrophobicContact CE1-CD2 4.21Å; F496-Y500 AromaticContact CE2-CD2 3.58Å; F496-Y500 HydrophobicContact CE2-CD2 3.58Å; F496-Y500 AromaticContact CE2-CE2 3.95Å; F496-Y500 HydrophobicContact CE2-CE2 3.95Å; F496-Y500 HydrophobicContact CG-CD2 4.29Å; F496-Y500 AromaticContact CZ-CD2 3.77Å; F496-Y500 HydrophobicContact CZ-CD2 3.77Å; F496-Y500 HydrophobicContact CZ-CE2 4.47Å; F496-Y500 HydrophobicContact CZ-CG 4.47Å; F496-Y500 PolarHBondContact O-N 3Å; F496-H503 VanDerWaalsContact CE1-O 3.32Å; F496-H503 WeakPolarHBondContact CE1-O 3.48Å; F496-W505 HydrophobicContact CD1-CB 4.01Å; F496-W505 AromaticContact CD1-CE3 3.82Å; F496-W505 HydrophobicContact CD1-CE3 3.82Å; F496-W505 HydrophobicContact CD2-CE3 4.22Å; F496-W505 HydrophobicContact CD2-CZ3 4.43Å; F496-W505 AromaticContact CE1-CE3 3.85Å; F496-W505 HydrophobicContact CE1-CE3 3.85Å; F496-W505 HydrophobicContact CE2-CE3 4.26Å; F496-W505 HydrophobicContact CE2-CZ3 4.3Å; F496-W505 AromaticContact CG-CE3 4Å; F496-W505 HydrophobicContact CG-CE3 4Å; F496-W505 HydrophobicContact CZ-CE3 4.08Å; F496-W505 HydrophobicContact CZ-CZ3 4.38Å; F496-V508 HydrophobicContact CE1-CG2 4.26Å; F496-V508 HydrophobicContact CZ-CG2 4.41Å; F496-L548 HydrophobicContact CE2-CD1 4.4Å; F496-L548 HydrophobicContact CZ-CD1 4.5Å; F496-I563 HydrophobicContact CZ-CD1 3.83Å
497D97.8Very high95.4Very high39 Ų3965.8 Ų65.821%0.20934%0.338CS..Hα-helixtrans-63.9-25.7178.3-88.15.5000113.5V493 P501 K504 W505V493-D497 WeakPolarHBondContact O-CB 3.32Å; V493-D497 PolarHBondContact O-N 2.93Å; D497-P501 WeakPolarHBondContact O-CA 3.46Å; D497-K504 HydrophobicContact CB-CD 4.23Å; D497-K504 PolarHBondContact O-NZ 3.23Å; D497-K504 WeakPolarHBondContact OD1-CA 3.4Å; D497-K504 WeakPolarHBondContact OD2-CD 3.38Å; D497-K504 IonicContact OD2-NZ 3.27Å; D497-W505 PolarHBondContact OD1-N 3.06Å
498K97.4Very high95.8Very high173 Ų17365.4 Ų65.475%0.75234%0.337SS*.Hα-helixtrans-78.7-40.2172.9-174.7-177.6178-176.70111.7E494 L495 F496E494-K498 WeakPolarHBondContact O-CB 3.28Å; E494-K498 PolarHBondContact O-N 3.09Å; L495-K498 PolarHBondContact O-N 3.13Å; F496-K498 PolarHBondContact O-N 3.09Å
499Q97.4Very high96.1Very high57 Ų5763.8 Ų63.827%0.26633%0.33SS..Hα-helixtrans-71.6-36.3178.5-174.8172.1-39.500111.9L418 Y420 L495 F496 P501L418-Q499 PolarHBondContact O-NE2 3.05Å; Y420-Q499 VanDerWaalsContact CB-OE1 3.25Å; L495-Q499 WeakPolarHBondContact O-CB 3.27Å; L495-Q499 PolarHBondContact O-N 2.83Å; F496-Q499 PolarHBondContact O-N 3.22Å; F496-Q499 VanDerWaalsContact O-N 3.09Å; Q499-P501 WeakPolarHBondContact O-CD 3.44Å
500Y96.4Very high96.4Very high41 Ų4166.9 Ų66.916%0.16134%0.344CS..  trans-126.170.2-176.6-60.1-63.1000111.7V417 L418 F496 D502 H503 W550V417-Y500 HydrophobicContact CG1-CD2 4.28Å; V417-Y500 HydrophobicContact CG1-CE2 3.58Å; L418-Y500 WeakPolarHBondContact O-CE2 3.17Å; L418-Y500 PolarHBondContact O-OH 3.11Å; F496-Y500 HydrophobicContact CD1-CD2 4.45Å; F496-Y500 AromaticContact CD2-CD2 3.86Å; F496-Y500 HydrophobicContact CD2-CD2 3.86Å; F496-Y500 HydrophobicContact CD2-CE2 4.28Å; F496-Y500 HydrophobicContact CE1-CD2 4.21Å; F496-Y500 AromaticContact CE2-CD2 3.58Å; F496-Y500 HydrophobicContact CE2-CD2 3.58Å; F496-Y500 AromaticContact CE2-CE2 3.95Å; F496-Y500 HydrophobicContact CE2-CE2 3.95Å; F496-Y500 HydrophobicContact CG-CD2 4.29Å; F496-Y500 AromaticContact CZ-CD2 3.77Å; F496-Y500 HydrophobicContact CZ-CD2 3.77Å; F496-Y500 HydrophobicContact CZ-CE2 4.47Å; F496-Y500 HydrophobicContact CZ-CG 4.47Å; F496-Y500 PolarHBondContact O-N 3Å; Y500-D502 VanDerWaalsContact C-N 3.26Å; Y500-D502 PolarHBondContact O-N 3.25Å; Y500-H503 CarbonylContact O-C 3.58Å; Y500-H503 PolarHBondContact O-N 2.86Å; Y500-H503 VanDerWaalsContact O-N 3.07Å; Y500-W550 HydrophobicContact CD1-CH2 4.2Å; Y500-W550 AromaticContact CD1-CZ2 3.93Å; Y500-W550 HydrophobicContact CD1-CZ2 3.93Å; Y500-W550 HydrophobicContact CE1-CH2 4.4Å; Y500-W550 AromaticContact CE1-CZ2 3.69Å; Y500-W550 HydrophobicContact CE1-CZ2 3.69Å
501P95.1Very high96.6Very high76 Ų7663.8 Ų63.849%0.49433%0.326SS..THydrogen-bonded Turntrans-62.2-29.5-172.224.1-34.4000114.4D497 Q499 K504D497-P501 WeakPolarHBondContact O-CA 3.46Å; Q499-P501 WeakPolarHBondContact O-CD 3.44Å; P501-K504 VanDerWaalsContact O-CE 3.31Å; P501-K504 WeakPolarHBondContact O-CE 3.32Å
502D93.4Very high96.7Very high146 Ų14659.6 Ų59.678%0.78131%0.306SS*.THydrogen-bonded Turntrans-82.8-11.8179.5-64.3-39.4000113.6Y500Y500-D502 VanDerWaalsContact C-N 3.26Å; Y500-D502 PolarHBondContact O-N 3.25Å
503H94.7Very high96.8Very high45 Ų4560.9 Ų60.921%0.20831%0.312CS..SBendtrans-126.869-177.4-60-87.9000110F496 Y500 W505 W550 K561 D562 I563F496-H503 VanDerWaalsContact CE1-O 3.32Å; F496-H503 WeakPolarHBondContact CE1-O 3.48Å; Y500-H503 CarbonylContact O-C 3.58Å; Y500-H503 PolarHBondContact O-N 2.86Å; Y500-H503 VanDerWaalsContact O-N 3.07Å; H503-W505 PolarHBondContact O-N 3.49Å; H503-W550 AromaticContact CD2-CH2 3.79Å; H503-W550 AromaticContact CD2-CZ3 3.91Å; H503-W550 AromaticContact CE1-CZ3 3.94Å; H503-W550 AromaticContact NE2-CZ3 3.72Å; H503-K561 PolarHBondContact CE1-O 3.42Å; H503-D562 IonicContact CE1-OD1 3.55Å; H503-D562 IonicContact ND1-OD1 2.77Å; H503-D562 PolarHBondContact ND1-OD1 3.43Å; H503-I563 HydrophobicContact CB-CD1 3.72Å; H503-I563 HydrophobicContact CB-CG1 4.39Å
504K96.4Very high96.8Very high85 Ų8565.7 Ų65.737%0.3733%0.326SS..  trans-53.8137.5-179.4-63.7-62.1-179.3-173.80112.4D497 P501 S506 T507 V508D497-K504 HydrophobicContact CB-CD 4.23Å; D497-K504 PolarHBondContact O-NZ 3.23Å; D497-K504 WeakPolarHBondContact OD1-CA 3.4Å; D497-K504 WeakPolarHBondContact OD2-CD 3.38Å; D497-K504 IonicContact OD2-NZ 3.27Å; P501-K504 VanDerWaalsContact O-CE 3.31Å; P501-K504 WeakPolarHBondContact O-CE 3.32Å; K504-S506 PolarHBondContact O-N 2.96Å; K504-T507 WeakPolarHBondContact O-CB 3.26Å; K504-T507 PolarHBondContact O-N 2.99Å; K504-V508 PolarHBondContact O-N 3.18Å
505W97.8Very high96.8Very high3 Ų359 Ų591%0.01129%0.294CS..Hα-helixtrans-54.9-38.8-179-179-99.8000112I432 F452 F492 V493 F496 D497 H503 T507 V508 E509 I512 L548I432-W505 HydrophobicContact CD1-CH2 3.65Å; I432-W505 HydrophobicContact CD1-CZ3 4.29Å; I432-W505 HydrophobicContact CG1-CH2 4.31Å; F452-W505 HydrophobicContact CD1-CZ2 4.38Å; F452-W505 HydrophobicContact CD2-CZ2 4.46Å; F452-W505 AromaticContact CE1-CE2 3.86Å; F452-W505 AromaticContact CE1-CZ2 3.73Å; F452-W505 HydrophobicContact CE1-CZ2 3.73Å; F452-W505 AromaticContact CE1-NE1 3.53Å; F452-W505 HydrophobicContact CE2-CH2 4.42Å; F452-W505 AromaticContact CE2-CZ2 3.82Å; F452-W505 HydrophobicContact CE2-CZ2 3.82Å; F452-W505 AromaticContact CZ-CE2 3.6Å; F452-W505 HydrophobicContact CZ-CH2 4.35Å; F452-W505 AromaticContact CZ-CZ2 3.4Å; F452-W505 HydrophobicContact CZ-CZ2 3.4Å; F452-W505 VanDerWaalsContact CZ-CZ2 3.4Å; F452-W505 AromaticContact CZ-NE1 3.64Å; F492-W505 HydrophobicContact CE1-CD2 4.1Å; F492-W505 AromaticContact CE1-CE3 3.68Å; F492-W505 HydrophobicContact CE1-CE3 3.68Å; F492-W505 AromaticContact CE1-CH2 3.6Å; F492-W505 HydrophobicContact CE1-CH2 3.6Å; F492-W505 HydrophobicContact CE1-CZ2 4.05Å; F492-W505 AromaticContact CE1-CZ3 3.42Å; F492-W505 HydrophobicContact CE1-CZ3 3.42Å; F492-W505 VanDerWaalsContact CE1-CZ3 3.42Å; F492-W505 HydrophobicContact CZ-CE3 4.37Å; F492-W505 HydrophobicContact CZ-CH2 4.27Å; F492-W505 AromaticContact CZ-CZ3 3.89Å; F492-W505 HydrophobicContact CZ-CZ3 3.89Å; V493-W505 HydrophobicContact CB-CG 4.48Å; V493-W505 HydrophobicContact CG1-CB 4.04Å; V493-W505 HydrophobicContact CG1-CG 4.3Å; V493-W505 HydrophobicContact CG2-CB 4.37Å; V493-W505 HydrophobicContact CG2-CD2 4.39Å; V493-W505 HydrophobicContact CG2-CG 3.76Å; F496-W505 HydrophobicContact CD1-CB 4.01Å; F496-W505 AromaticContact CD1-CE3 3.82Å; F496-W505 HydrophobicContact CD1-CE3 3.82Å; F496-W505 HydrophobicContact CD2-CE3 4.22Å; F496-W505 HydrophobicContact CD2-CZ3 4.43Å; F496-W505 AromaticContact CE1-CE3 3.85Å; F496-W505 HydrophobicContact CE1-CE3 3.85Å; F496-W505 HydrophobicContact CE2-CE3 4.26Å; F496-W505 HydrophobicContact CE2-CZ3 4.3Å; F496-W505 AromaticContact CG-CE3 4Å; F496-W505 HydrophobicContact CG-CE3 4Å; F496-W505 HydrophobicContact CZ-CE3 4.08Å; F496-W505 HydrophobicContact CZ-CZ3 4.38Å; D497-W505 PolarHBondContact OD1-N 3.06Å; H503-W505 PolarHBondContact O-N 3.49Å; W505-T507 PolarHBondContact O-N 3.39Å; W505-T507 VanDerWaalsContact O-N 3.12Å; W505-V508 HydrophobicContact CE3-CB 4.27Å; W505-V508 HydrophobicContact CE3-CG1 4.26Å; W505-V508 HydrophobicContact CZ3-CG1 4.09Å; W505-V508 CarbonylContact O-C 3.32Å; W505-V508 WeakPolarHBondContact O-CA 3.27Å; W505-V508 WeakPolarHBondContact O-CB 3.45Å; W505-V508 PolarHBondContact O-N 3.21Å; W505-E509 WeakPolarHBondContact O-CB 3.46Å; W505-E509 PolarHBondContact O-N 2.81Å; W505-I512 HydrophobicContact CH2-CD1 4.18Å; W505-I512 HydrophobicContact CZ2-CD1 4.32Å; W505-L548 HydrophobicContact CH2-CD1 4.48Å; W505-L548 HydrophobicContact CZ3-CD1 3.87Å
506S96.7Very high96.9Very high81 Ų8156.2 Ų56.257%0.56628%0.28SS*.Hα-helixtrans-54-34.917758.60000113.3K504 L510K504-S506 PolarHBondContact O-N 2.96Å; S506-L510 WeakPolarHBondContact O-CB 3.31Å; S506-L510 PolarHBondContact O-N 3.46Å
507T96.4Very high96.9Very high77 Ų7756.8 Ų56.847%0.47228%0.283SS..Hα-helixtrans-76.4-40177-55.30000111.2K504 W505 L510 K511K504-T507 WeakPolarHBondContact O-CB 3.26Å; K504-T507 PolarHBondContact O-N 2.99Å; W505-T507 PolarHBondContact O-N 3.39Å; W505-T507 VanDerWaalsContact O-N 3.12Å; T507-L510 PolarHBondContact O-N 3.21Å; T507-K511 PolarHBondContact O-N 3.28Å
508V97Very high96.8Very high4 Ų458 Ų582%0.02429%0.288CS..Hα-helixtrans-64.4-45.9176.4-179.70000110.4F496 K504 W505 L510 K511 I512 L548 I563F496-V508 HydrophobicContact CE1-CG2 4.26Å; F496-V508 HydrophobicContact CZ-CG2 4.41Å; K504-V508 PolarHBondContact O-N 3.18Å; W505-V508 HydrophobicContact CE3-CB 4.27Å; W505-V508 HydrophobicContact CE3-CG1 4.26Å; W505-V508 HydrophobicContact CZ3-CG1 4.09Å; W505-V508 CarbonylContact O-C 3.32Å; W505-V508 WeakPolarHBondContact O-CA 3.27Å; W505-V508 WeakPolarHBondContact O-CB 3.45Å; W505-V508 PolarHBondContact O-N 3.21Å; V508-L510 VanDerWaalsContact C-N 3.33Å; V508-L510 PolarHBondContact O-N 2.81Å; V508-K511 WeakPolarHBondContact O-CB 3.49Å; V508-K511 PolarHBondContact O-N 3.45Å; V508-K511 VanDerWaalsContact O-N 3.08Å; V508-I512 HydrophobicContact CG1-CD1 4.29Å; V508-I512 WeakPolarHBondContact O-CG1 3.03Å; V508-I512 PolarHBondContact O-N 3.34Å; V508-L548 HydrophobicContact CG1-CD1 3.83Å; V508-L548 HydrophobicContact CG1-CD2 3.9Å; V508-I563 HydrophobicContact CG1-CG2 3.99Å; V508-I563 HydrophobicContact CG2-CB 4.28Å; V508-I563 HydrophobicContact CG2-CD1 4.1Å; V508-I563 HydrophobicContact CG2-CG2 4.22Å
509E97.5Very high96.8Very high49 Ų4949.8 Ų49.823%0.22925%0.252CS..Hα-helixtrans-61.9-38.7177.3-178.8164.2-111.900111.9Y434 W505 K511 I512 H513Y434-E509 PolarHBondContact OH-OE1 2.86Å; W505-E509 WeakPolarHBondContact O-CB 3.46Å; W505-E509 PolarHBondContact O-N 2.81Å; E509-K511 VanDerWaalsContact C-N 3.29Å; E509-K511 PolarHBondContact O-N 3.23Å; E509-I512 CarbonylContact O-C 3.51Å; E509-I512 WeakPolarHBondContact O-CB 3.42Å; E509-I512 PolarHBondContact O-N 3.06Å; E509-I512 VanDerWaalsContact O-N 3.14Å; E509-H513 PolarHBondContact O-N 3.11Å
510L96.8Very high96.8Very high86 Ų8647.1 Ų47.145%0.4524%0.239SC..Hα-helixtrans-61.2-39.1173.3-17664.6000112S506 T507 V508 H513 R514S506-L510 WeakPolarHBondContact O-CB 3.31Å; S506-L510 PolarHBondContact O-N 3.46Å; T507-L510 PolarHBondContact O-N 3.21Å; V508-L510 VanDerWaalsContact C-N 3.33Å; V508-L510 PolarHBondContact O-N 2.81Å; L510-H513 PolarHBondContact O-N 2.86Å; L510-R514 WeakPolarHBondContact O-CG 3.46Å; L510-R514 PolarHBondContact O-N 3.25Å; L510-R514 VanDerWaalsContact O-N 3.1Å
511K96.9Very high96.7Very high44 Ų4450 Ų5019%0.19125%0.254CS..Hα-helixtrans-66.1-40.2173.9-64.8178.5-176.6-175.30111.4T507 V508 E509 R514 L515 D562 I563 P565T507-K511 PolarHBondContact O-N 3.28Å; V508-K511 WeakPolarHBondContact O-CB 3.49Å; V508-K511 PolarHBondContact O-N 3.45Å; V508-K511 VanDerWaalsContact O-N 3.08Å; E509-K511 VanDerWaalsContact C-N 3.29Å; E509-K511 PolarHBondContact O-N 3.23Å; K511-R514 PolarHBondContact O-N 3.34Å; K511-L515 WeakPolarHBondContact O-CB 3.21Å; K511-L515 PolarHBondContact O-N 3.27Å; K511-D562 IonicContact NZ-OD1 2.66Å; K511-D562 PolarHBondContact NZ-OD1 2.89Å; K511-D562 IonicContact NZ-OD2 3.29Å; K511-D562 PolarHBondContact NZ-OD2 3.47Å; K511-I563 WeakPolarHBondContact CD-O 3.32Å; K511-I563 PolarHBondContact NZ-O 3.34Å; K511-P565 HydrophobicContact CB-CG 4.14Å
512I98.1Very high96.7Very high0 Ų046.6 Ų46.60%023%0.233CC..Hα-helixtrans-60.2-50.6174.5-66.6166.2000109.9Y434 W505 V508 E509 R514 L515 L516 L546 L548 P565Y434-I512 HydrophobicContact CD2-CG2 3.79Å; Y434-I512 HydrophobicContact CE2-CB 4.5Å; Y434-I512 HydrophobicContact CE2-CD1 3.84Å; Y434-I512 HydrophobicContact CE2-CG2 3.64Å; Y434-I512 HydrophobicContact CG-CG2 4.4Å; W505-I512 HydrophobicContact CH2-CD1 4.18Å; W505-I512 HydrophobicContact CZ2-CD1 4.32Å; V508-I512 HydrophobicContact CG1-CD1 4.29Å; V508-I512 WeakPolarHBondContact O-CG1 3.03Å; V508-I512 PolarHBondContact O-N 3.34Å; E509-I512 CarbonylContact O-C 3.51Å; E509-I512 WeakPolarHBondContact O-CB 3.42Å; E509-I512 PolarHBondContact O-N 3.06Å; E509-I512 VanDerWaalsContact O-N 3.14Å; I512-R514 VanDerWaalsContact C-N 3.29Å; I512-R514 PolarHBondContact O-N 3.49Å; I512-L515 CarbonylContact O-C 3.53Å; I512-L515 WeakPolarHBondContact O-CA 3.25Å; I512-L515 WeakPolarHBondContact O-CB 3.28Å; I512-L515 PolarHBondContact O-N 2.91Å; I512-L515 VanDerWaalsContact O-N 3.1Å; I512-L516 HydrophobicContact CG2-CD1 4.09Å; I512-L516 HydrophobicContact CG2-CG 4.12Å; I512-L516 VanDerWaalsContact O-CG 3.31Å; I512-L516 WeakPolarHBondContact O-CG 3.49Å; I512-L516 PolarHBondContact O-N 3.07Å; I512-L546 HydrophobicContact CD1-CD1 4.22Å; I512-L546 HydrophobicContact CD1-CD2 4.47Å; I512-L546 HydrophobicContact CG1-CD1 4.36Å; I512-L546 HydrophobicContact CG1-CD2 4.19Å; I512-L546 HydrophobicContact CG2-CD2 3.63Å; I512-L548 HydrophobicContact CD1-CD2 4.38Å; I512-P565 HydrophobicContact CG1-CB 3.7Å; I512-P565 HydrophobicContact CG1-CG 4.08Å
513H98.2Very high96.8Very high27 Ų2739.7 Ų39.713%0.12520%0.196CC..Hα-helixtrans-57.3-41.4179.7-71.3177.1000112.6Y434 E509 L510 L516 V517 H606 L608Y434-H513 AromaticContact CE1-NE2 3.96Å; E509-H513 PolarHBondContact O-N 3.11Å; L510-H513 PolarHBondContact O-N 2.86Å; H513-L516 PolarHBondContact O-N 3.46Å; H513-V517 WeakPolarHBondContact O-CG2 3.25Å; H513-V517 PolarHBondContact O-N 3.01Å; H513-H606 AromaticContact CE1-CD2 3.68Å; H513-H606 AromaticContact CE1-NE2 3.95Å; H513-H606 AromaticContact ND1-CD2 3.9Å; H513-H606 AromaticContact ND1-NE2 3.81Å; H513-L608 HydrophobicContact CB-CD2 3.7Å
514R97.3Very high96.9Very high142 Ų14239.1 Ų39.154%0.53620%0.195SC..Hα-helixtrans-61.6-48.2173.9-72174.2-176.6175.61111.9L510 K511 I512 L516 V517 E518L510-R514 WeakPolarHBondContact O-CG 3.46Å; L510-R514 PolarHBondContact O-N 3.25Å; L510-R514 VanDerWaalsContact O-N 3.1Å; K511-R514 PolarHBondContact O-N 3.34Å; I512-R514 VanDerWaalsContact C-N 3.29Å; I512-R514 PolarHBondContact O-N 3.49Å; R514-L516 VanDerWaalsContact C-N 3.28Å; R514-L516 PolarHBondContact O-N 2.84Å; R514-V517 WeakPolarHBondContact O-CB 3.43Å; R514-V517 PolarHBondContact O-N 3.26Å; R514-V517 VanDerWaalsContact O-N 3.07Å; R514-E518 WeakPolarHBondContact O-CG 3.24Å; R514-E518 PolarHBondContact O-N 3.45Å
515L97.3Very high96.7Very high5 Ų539.7 Ų39.73%0.02620%0.198CC..Hα-helixtrans-55.8-43.6174.4165.5166.5000111.5W335 K511 I512 V517 E518 I519 P565 V567W335-L515 HydrophobicContact CB-CB 4.38Å; W335-L515 HydrophobicContact CB-CD1 3.35Å; W335-L515 HydrophobicContact CB-CG 3.61Å; W335-L515 HydrophobicContact CG-CD1 4.41Å; W335-L515 HydrophobicContact CG-CG 4.18Å; K511-L515 WeakPolarHBondContact O-CB 3.21Å; K511-L515 PolarHBondContact O-N 3.27Å; I512-L515 CarbonylContact O-C 3.53Å; I512-L515 WeakPolarHBondContact O-CA 3.25Å; I512-L515 WeakPolarHBondContact O-CB 3.28Å; I512-L515 PolarHBondContact O-N 2.91Å; I512-L515 VanDerWaalsContact O-N 3.1Å; L515-V517 VanDerWaalsContact C-N 3.28Å; L515-V517 PolarHBondContact O-N 2.97Å; L515-E518 PolarHBondContact O-N 2.83Å; L515-I519 HydrophobicContact CD2-CD1 3.69Å; L515-I519 HydrophobicContact CD2-CG1 4.44Å; L515-I519 HydrophobicContact CG-CD1 4.5Å; L515-I519 WeakPolarHBondContact O-CG1 3.41Å; L515-I519 PolarHBondContact O-N 3.22Å; L515-P565 HydrophobicContact CB-CG 4.39Å; L515-P565 HydrophobicContact CD1-CB 3.73Å; L515-P565 HydrophobicContact CD1-CG 3.61Å; L515-P565 WeakPolarHBondContact CD1-O 3.43Å; L515-V567 HydrophobicContact CD1-CG2 4.06Å; L515-V567 HydrophobicContact CD2-CG2 3.72Å; L515-V567 HydrophobicContact CG-CG2 4.17Å
516L98.2Very high96.5Very high0 Ų041.1 Ų41.10%020%0.204CC..Hα-helixtrans-61.8-38.7178-64.2178.1000111Y434 V436 I512 H513 R514 F520 V544 L608Y434-L516 HydrophobicContact CD1-CD1 4.32Å; Y434-L516 HydrophobicContact CG-CD1 4.2Å; V436-L516 HydrophobicContact CG2-CD1 3.96Å; V436-L516 HydrophobicContact CG2-CD2 3.94Å; V436-L516 HydrophobicContact CG2-CG 4.37Å; I512-L516 HydrophobicContact CG2-CD1 4.09Å; I512-L516 HydrophobicContact CG2-CG 4.12Å; I512-L516 VanDerWaalsContact O-CG 3.31Å; I512-L516 WeakPolarHBondContact O-CG 3.49Å; I512-L516 PolarHBondContact O-N 3.07Å; H513-L516 PolarHBondContact O-N 3.46Å; R514-L516 VanDerWaalsContact C-N 3.28Å; R514-L516 PolarHBondContact O-N 2.84Å; L516-F520 WeakPolarHBondContact O-CD2 3.49Å; L516-V544 HydrophobicContact CD2-CB 3.68Å; L516-V544 HydrophobicContact CD2-CG1 3.72Å; L516-V544 HydrophobicContact CD2-CG2 3.71Å; L516-L608 HydrophobicContact CB-CD1 3.96Å; L516-L608 HydrophobicContact CD1-CD1 4.23Å
517V97.7Very high96.3Very high12 Ų1241.5 Ų41.57%0.07320%0.204CC..Hα-helixtrans-67.8-44.2174.5174.10000111.2L446 H513 R514 L515 I519 F520 Q521 L608L446-V517 HydrophobicContact CD1-CG2 4.32Å; H513-V517 WeakPolarHBondContact O-CG2 3.25Å; H513-V517 PolarHBondContact O-N 3.01Å; R514-V517 WeakPolarHBondContact O-CB 3.43Å; R514-V517 PolarHBondContact O-N 3.26Å; R514-V517 VanDerWaalsContact O-N 3.07Å; L515-V517 VanDerWaalsContact C-N 3.28Å; L515-V517 PolarHBondContact O-N 2.97Å; V517-I519 PolarHBondContact O-N 3.16Å; V517-F520 PolarHBondContact O-N 2.78Å; V517-Q521 HydrophobicContact CG1-CG 4.03Å; V517-Q521 WeakPolarHBondContact O-CG 3.33Å; V517-Q521 PolarHBondContact O-N 3.16Å; V517-L608 HydrophobicContact CG2-CB 3.74Å
518E96.1Very high96Very high66 Ų6639.8 Ų39.831%0.30820%0.195SC..Hα-helixtrans-59.9-41-178.6-75.2174.3-160.300112.8W335 R514 L515 F520 Q521 A522W335-E518 VanDerWaalsContact CD1-OE2 3.25Å; R514-E518 WeakPolarHBondContact O-CG 3.24Å; R514-E518 PolarHBondContact O-N 3.45Å; L515-E518 PolarHBondContact O-N 2.83Å; E518-F520 VanDerWaalsContact C-N 3.29Å; E518-F520 PolarHBondContact O-N 3.36Å; E518-Q521 PolarHBondContact O-N 2.94Å; E518-A522 WeakPolarHBondContact O-CB 3.33Å; E518-A522 PolarHBondContact O-N 2.65Å
519I97.3Very high95.7Very high0 Ų040.3 Ų40.30%020%0.199CC..Hα-helixtrans-55.5-46.9176.1-66.8165.3000110.7F297 W335 L515 V517 A522 A523 V544 V567F297-I519 HydrophobicContact CB-CG2 4.35Å; W335-I519 HydrophobicContact CD2-CG1 4.35Å; W335-I519 HydrophobicContact CE3-CG1 4.06Å; W335-I519 HydrophobicContact CH2-CG1 4.23Å; W335-I519 HydrophobicContact CZ2-CG1 4.46Å; W335-I519 HydrophobicContact CZ3-CG1 4.02Å; L515-I519 HydrophobicContact CD2-CD1 3.69Å; L515-I519 HydrophobicContact CD2-CG1 4.44Å; L515-I519 HydrophobicContact CG-CD1 4.5Å; L515-I519 WeakPolarHBondContact O-CG1 3.41Å; L515-I519 PolarHBondContact O-N 3.22Å; V517-I519 PolarHBondContact O-N 3.16Å; I519-A522 WeakPolarHBondContact O-CB 3.49Å; I519-A522 PolarHBondContact O-N 3Å; I519-A523 WeakPolarHBondContact O-CB 3.46Å; I519-A523 PolarHBondContact O-N 2.83Å; I519-V544 HydrophobicContact CD1-CG1 4.2Å; I519-V567 HydrophobicContact CD1-CG2 3.68Å; I519-V567 HydrophobicContact CG1-CG2 4.49Å
520F97.2Very high95.5Very high0 Ų040.8 Ų40.80%020%0.198CC..Hα-helixtrans-80.5-28.7-175.9-74.7-99.7000112.2F297 V436 L438 L444 L446 L516 V517 E518 A522 A523 T524 L532 Y542F297-F520 HydrophobicContact CE1-CE1 4.41Å; F297-F520 HydrophobicContact CE2-CE1 4.09Å; F297-F520 HydrophobicContact CE2-CZ 4.09Å; F297-F520 HydrophobicContact CZ-CD1 4.49Å; F297-F520 AromaticContact CZ-CE1 3.8Å; F297-F520 HydrophobicContact CZ-CE1 3.8Å; F297-F520 HydrophobicContact CZ-CZ 4.28Å; V436-F520 HydrophobicContact CB-CE2 4.41Å; V436-F520 HydrophobicContact CB-CZ 4.43Å; V436-F520 HydrophobicContact CG1-CE2 3.77Å; V436-F520 HydrophobicContact CG1-CZ 3.9Å; L438-F520 HydrophobicContact CB-CE1 4.21Å; L438-F520 HydrophobicContact CD1-CD1 4.25Å; L438-F520 HydrophobicContact CD2-CD1 4.14Å; L438-F520 HydrophobicContact CD2-CE1 4.11Å; L444-F520 HydrophobicContact CD1-CB 4.13Å; L444-F520 HydrophobicContact CD2-CB 4.25Å; L446-F520 HydrophobicContact CD1-CB 3.69Å; L446-F520 HydrophobicContact CD1-CD2 4.3Å; L446-F520 HydrophobicContact CD1-CG 4.04Å; L446-F520 HydrophobicContact CD2-CB 4.06Å; L446-F520 HydrophobicContact CD2-CD1 3.67Å; L446-F520 HydrophobicContact CD2-CD2 4.07Å; L446-F520 HydrophobicContact CD2-CE1 4.07Å; L446-F520 HydrophobicContact CD2-CE2 4.42Å; L446-F520 HydrophobicContact CD2-CG 3.65Å; L446-F520 HydrophobicContact CD2-CZ 4.42Å; L446-F520 HydrophobicContact CG-CB 4.44Å; L446-F520 HydrophobicContact CG-CG 4.49Å; L516-F520 WeakPolarHBondContact O-CD2 3.49Å; V517-F520 PolarHBondContact O-N 2.78Å; E518-F520 VanDerWaalsContact C-N 3.29Å; E518-F520 PolarHBondContact O-N 3.36Å; F520-A522 VanDerWaalsContact C-N 3.34Å; F520-A523 PolarHBondContact O-N 2.54Å; F520-T524 WeakPolarHBondContact O-CB 3.43Å; F520-T524 WeakPolarHBondContact O-CG2 3.24Å; F520-T524 PolarHBondContact O-N 3.41Å; F520-T524 PolarHBondContact O-OG1 3.48Å; F520-L532 HydrophobicContact CD1-CD2 4.5Å; F520-Y542 AromaticContact CE1-CD2 3.7Å; F520-Y542 HydrophobicContact CE1-CD2 3.7Å; F520-Y542 AromaticContact CE1-CE2 3.73Å; F520-Y542 HydrophobicContact CE1-CE2 3.73Å; F520-Y542 AromaticContact CZ-CD2 3.58Å; F520-Y542 HydrophobicContact CZ-CD2 3.58Å; F520-Y542 HydrophobicContact CZ-CE2 4.11Å; F520-Y542 HydrophobicContact CZ-CG 4.27Å
521Q95.5Very high95.3Very high102 Ų10236.7 Ų36.748%0.47718%0.177SC..Hα-helixtrans-62.9-43.6167.5-73.7177.7-1500110.9L444 V517 E518 T524 K525L444-Q521 HydrophobicContact CD2-CB 4.5Å; L444-Q521 HydrophobicContact CD2-CG 3.62Å; V517-Q521 HydrophobicContact CG1-CG 4.03Å; V517-Q521 WeakPolarHBondContact O-CG 3.33Å; V517-Q521 PolarHBondContact O-N 3.16Å; E518-Q521 PolarHBondContact O-N 2.94Å; Q521-T524 PolarHBondContact O-N 2.76Å; Q521-T524 PolarHBondContact O-OG1 3.02Å; Q521-K525 PolarHBondContact O-N 3.43Å
522A94.7Very high95.2Very high5 Ų534.8 Ų34.84%0.04117%0.169CC..Hα-helixtrans-60.8-50.5173.900000110.6L306 L310 E518 I519 F520 T524 K525L306-A522 HydrophobicContact CD1-CB 4.05Å; L306-A522 HydrophobicContact CD2-CB 4.19Å; L306-A522 HydrophobicContact CG-CB 3.97Å; L310-A522 HydrophobicContact CD2-CB 4.21Å; E518-A522 WeakPolarHBondContact O-CB 3.33Å; E518-A522 PolarHBondContact O-N 2.65Å; I519-A522 WeakPolarHBondContact O-CB 3.49Å; I519-A522 PolarHBondContact O-N 3Å; F520-A522 VanDerWaalsContact C-N 3.34Å; A522-T524 PolarHBondContact O-N 3.37Å; A522-T524 VanDerWaalsContact O-N 3.15Å; A522-K525 VanDerWaalsContact O-CB 3.29Å; A522-K525 WeakPolarHBondContact O-CB 3.18Å; A522-K525 PolarHBondContact O-N 2.92Å; A522-K525 VanDerWaalsContact O-N 3.13Å
523A96.2Very high95Very high0 Ų036.2 Ų36.20%018%0.176CC..Hα-helixtrans-58.9-30.9-178.600000112.7V296 F297 L306 I519 F520 G531 L532V296-A523 HydrophobicContact CG2-CB 4.16Å; F297-A523 HydrophobicContact CD1-CB 3.69Å; F297-A523 HydrophobicContact CE1-CB 4.27Å; L306-A523 HydrophobicContact CD2-CB 3.96Å; I519-A523 WeakPolarHBondContact O-CB 3.46Å; I519-A523 PolarHBondContact O-N 2.83Å; F520-A523 PolarHBondContact O-N 2.54Å; A523-G531 CarbonylContact O-C 3.54Å; A523-G531 WeakPolarHBondContact O-CA 3.08Å; A523-L532 HydrophobicContact CB-CB 4.16Å; A523-L532 WeakPolarHBondContact O-CB 3.25Å; A523-L532 PolarHBondContact O-N 3.38Å
524T95.4Very high94.8Very high33 Ų3337.7 Ų37.720%0.20218%0.183CC..THydrogen-bonded Turntrans-96.2-0-176.757.90000114V441 L444 F520 Q521 A522 L532V441-T524 HydrophobicContact CB-CG2 4.25Å; V441-T524 HydrophobicContact CG1-CG2 3.42Å; V441-T524 VanDerWaalsContact CG1-CG2 3.42Å; V441-T524 HydrophobicContact CG2-CG2 4.11Å; L444-T524 HydrophobicContact CD1-CG2 4.44Å; F520-T524 WeakPolarHBondContact O-CB 3.43Å; F520-T524 WeakPolarHBondContact O-CG2 3.24Å; F520-T524 PolarHBondContact O-N 3.41Å; F520-T524 PolarHBondContact O-OG1 3.48Å; Q521-T524 PolarHBondContact O-N 2.76Å; Q521-T524 PolarHBondContact O-OG1 3.02Å; A522-T524 PolarHBondContact O-N 3.37Å; A522-T524 VanDerWaalsContact O-N 3.15Å; T524-L532 HydrophobicContact CG2-CB 4.06Å; T524-L532 HydrophobicContact CG2-CD2 3.85Å; T524-L532 HydrophobicContact CG2-CG 4.36Å
525K93.3Very high94.7Very high97 Ų9731.2 Ų31.242%0.42216%0.159SC..THydrogen-bonded Turntrans-71.2-34.6-178-172.5172-177.61720113.1E313 Q521 A522E313-K525 WeakPolarHBondContact OE1-CE 3.36Å; E313-K525 IonicContact OE1-NZ 2.6Å; E313-K525 PolarHBondContact OE1-NZ 2.77Å; E313-K525 VanDerWaalsContact OE2-CE 3.26Å; E313-K525 WeakPolarHBondContact OE2-CE 3.14Å; E313-K525 IonicContact OE2-NZ 3.56Å; E313-K525 PolarHBondContact OE2-NZ 2.9Å; Q521-K525 PolarHBondContact O-N 3.43Å; A522-K525 VanDerWaalsContact O-CB 3.29Å; A522-K525 WeakPolarHBondContact O-CB 3.18Å; A522-K525 PolarHBondContact O-N 2.92Å; A522-K525 VanDerWaalsContact O-N 3.13Å
526Y92.8Very high94.5Very high34 Ų3431.5 Ų31.513%0.13316%0.161CC..SBendtrans-104.1154.8-175-58.2-75.2000111.8E313 R530 G531E313-Y526 PolarHBondContact OE1-OH 3.38Å; E313-Y526 VanDerWaalsContact OE1-OH 3.05Å; E313-Y526 PolarHBondContact OE2-OH 3.04Å; Y526-R530 HydrophobicContact CG-CB 4.39Å; Y526-G531 WeakPolarHBondContact O-CA 3.32Å
527P91.9Very high94.4Very high89 Ų8931.5 Ų31.558%0.57816%0.161SC*.  trans-72.8172.7164.732.9-34.9000111.2R530 G531P527-R530 PolarHBondContact O-N 3.38Å; P527-R530 VanDerWaalsContact O-N 3.09Å; P527-G531 PolarHBondContact O-N 3.5Å
528S90.4Very high94.4Very high41 Ų4130.9 Ų30.929%0.28716%0.157SC..THydrogen-bonded Turntrans-57.3141.2166.8175.50000108.7I533S528-I533 VanDerWaalsContact CB-CD1 3.45Å
529P91.6Very high94.4Very high15 Ų1527.9 Ų27.910%0.09714%0.143CC..THydrogen-bonded Turncis-89.7-4.79.636.8-38.2000115.2D211 F214 T215 Y295D211-P529 HydrophobicContact CB-CG 3.91Å; F214-P529 HydrophobicContact CB-CB 3.92Å; F214-P529 HydrophobicContact CB-CG 4Å; T215-P529 HydrophobicContact CG2-CB 3.66Å; T215-P529 HydrophobicContact CG2-CG 3.67Å; Y295-P529 WeakPolarHBondContact CE2-O 3.24Å; Y295-P529 PolarHBondContact OH-O 2.95Å
530R91.8Very high94.4Very high58 Ų5827.9 Ų27.922%0.21914%0.143CC..THydrogen-bonded Turntrans-89.2-12.3-172.2-71.9-166.8-70.6156.83.8115.2L209 D211 F214 V296 Y526 P527L209-R530 PolarHBondContact O-NH1 3.25Å; D211-R530 WeakPolarHBondContact OD1-CD 3.36Å; D211-R530 WeakPolarHBondContact OD1-CG 3.49Å; D211-R530 IonicContact OD1-CZ 3.42Å; D211-R530 IonicContact OD1-NE 2.77Å; D211-R530 PolarHBondContact OD1-NE 2.87Å; D211-R530 IonicContact OD1-NH2 3.19Å; F214-R530 HydrophobicContact CB-CG 4.35Å; F214-R530 HydrophobicContact CD1-CG 4.33Å; F214-R530 HydrophobicContact CD2-CG 3.48Å; F214-R530 VanDerWaalsContact CD2-CG 3.48Å; F214-R530 HydrophobicContact CE2-CG 3.67Å; F214-R530 HydrophobicContact CG-CG 3.81Å; F214-R530 HydrophobicContact CZ-CG 4.19Å; V296-R530 WeakPolarHBondContact CG1-O 3.48Å; Y526-R530 HydrophobicContact CG-CB 4.39Å; P527-R530 PolarHBondContact O-N 3.38Å; P527-R530 VanDerWaalsContact O-N 3.09Å
531G93.5Very high94.4Very high0 Ų028.2 Ų28.20%015%0.145CC..SBendtrans-129.2159.8-177.300000114.4A523 Y526 P527A523-G531 CarbonylContact O-C 3.54Å; A523-G531 WeakPolarHBondContact O-CA 3.08Å; Y526-G531 WeakPolarHBondContact O-CA 3.32Å; P527-G531 PolarHBondContact O-N 3.5Å
532L95.3Very high94.6Very high4 Ų423.3 Ų23.32%0.02112%0.122CC..PPolyproline II helixtrans-69.1122.5173.2-173.364.8000110.1F291 E294 F297 L438 V441 F520 A523 T524F291-L532 HydrophobicContact CB-CD1 3.46Å; F291-L532 VanDerWaalsContact CB-CD1 3.46Å; F291-L532 HydrophobicContact CB-CG 4.29Å; F291-L532 HydrophobicContact CG-CD1 4.28Å; E294-L532 HydrophobicContact CB-CD1 3.86Å; F297-L532 HydrophobicContact CE1-CD1 3.91Å; F297-L532 HydrophobicContact CE1-CD2 3.88Å; F297-L532 HydrophobicContact CE1-CG 4.37Å; L438-L532 HydrophobicContact CD2-CD2 3.54Å; V441-L532 HydrophobicContact CG2-CD2 3.82Å; V441-L532 HydrophobicContact CG2-CG 4.04Å; F520-L532 HydrophobicContact CD1-CD2 4.5Å; A523-L532 HydrophobicContact CB-CB 4.16Å; A523-L532 WeakPolarHBondContact O-CB 3.25Å; A523-L532 PolarHBondContact O-N 3.38Å; T524-L532 HydrophobicContact CG2-CB 4.06Å; T524-L532 HydrophobicContact CG2-CD2 3.85Å; T524-L532 HydrophobicContact CG2-CG 4.36Å
533I93.6Very high94.7Very high30 Ų3023.1 Ų23.115%0.15412%0.12CC..PPolyproline II helixtrans-89.3135-173.3-55.6-59.7000110.9L223 P292 S528 N535L223-I533 HydrophobicContact CD2-CG1 4.06Å; P292-I533 HydrophobicContact CB-CB 4.03Å; P292-I533 HydrophobicContact CB-CG1 4.46Å; P292-I533 HydrophobicContact CG-CB 4.24Å; P292-I533 PolarHBondContact O-N 3.29Å; S528-I533 VanDerWaalsContact CB-CD1 3.45Å; I533-N535 PolarHBondContact O-N 3.39Å
534H93.4Very high94.8Very high59 Ų5923.1 Ų23.127%0.27312%0.12SC..PPolyproline II helixtrans-66.3121.5170.9178.962.6000110.4V441 K442V441-H534 HydrophobicContact CB-CB 4.11Å; V441-H534 HydrophobicContact CG1-CB 4.02Å; K442-H534 HydrophobicContact CB-CB 4.42Å; K442-H534 HydrophobicContact CD-CB 3.95Å; K442-H534 HydrophobicContact CG-CB 4.08Å; K442-H534 PolarHBondContact N-ND1 2.78Å
535N95Very high94.8Very high6 Ų621.7 Ų21.73%0.03211%0.111CC..  trans-135.3124.3171.6-18020.7000109.2P224 P292 I533 Q537 S538P224-N535 HydrophobicContact CG-CB 4.12Å; P292-N535 HydrophobicContact CG-CB 4.08Å; I533-N535 PolarHBondContact O-N 3.39Å; N535-Q537 PolarHBondContact O-N 2.96Å; N535-Q537 PolarHBondContact OD1-N 2.9Å; N535-S538 WeakPolarHBondContact CB-OG 3.03Å; N535-S538 PolarHBondContact ND2-OG 3.11Å; N535-S538 PolarHBondContact O-N 3.28Å; N535-S538 VanDerWaalsContact O-N 3.11Å
536V94.6Very high95.1Very high10 Ų1017 Ų176%0.0619%0.091CC..THydrogen-bonded Turntrans-67-24.4-177.6-63.20000112.8Q227 N229 E230 P231 S538 R539Q227-V536 HydrophobicContact CB-CG2 3.66Å; N229-V536 WeakPolarHBondContact O-CG2 3.37Å; E230-V536 HydrophobicContact CG-CB 4.39Å; P231-V536 WeakPolarHBondContact CD-O 3.4Å; V536-S538 VanDerWaalsContact C-N 3.33Å; V536-R539 PolarHBondContact O-NH1 3.23Å
537Q96Very high95.3Very high0 Ų016 Ų160%09%0.088CC..THydrogen-bonded Turntrans-80.8-11.8176-58.4-176-89.900112.9P231 S280 S283 T286 Y287 I288 N535P231-Q537 HydrophobicContact CG-CB 4.45Å; P231-Q537 HydrophobicContact CG-CG 4.08Å; S280-Q537 VanDerWaalsContact CA-OE1 3.25Å; S283-Q537 PolarHBondContact O-NE2 2.78Å; T286-Q537 WeakPolarHBondContact O-CB 3.45Å; T286-Q537 PolarHBondContact O-NE2 3.4Å; Y287-Q537 CarbonylContact C-O 3.59Å; Y287-Q537 WeakPolarHBondContact CA-O 3.36Å; Y287-Q537 WeakPolarHBondContact CD1-O 3.34Å; I288-Q537 PolarHBondContact N-O 2.74Å; N535-Q537 PolarHBondContact O-N 2.96Å; N535-Q537 PolarHBondContact OD1-N 2.9Å
538S96.7Very high95.6Very high0 Ų011.8 Ų11.80%06%0.06CC..BIsolated β-bridgetrans-91138-173.3-69.50000112.7I288 Q290 F291 N535 V536I288-S538 WeakPolarHBondContact O-CA 3.5Å; Q290-S538 WeakPolarHBondContact O-CB 3.41Å; Q290-S538 PolarHBondContact O-OG 3.47Å; F291-S538 WeakPolarHBondContact CZ-O 3.24Å; N535-S538 WeakPolarHBondContact CB-OG 3.03Å; N535-S538 PolarHBondContact ND2-OG 3.11Å; N535-S538 PolarHBondContact O-N 3.28Å; N535-S538 VanDerWaalsContact O-N 3.11Å; V536-S538 VanDerWaalsContact C-N 3.33Å
539R96.8Very high95.8Very high3 Ų310.7 Ų10.71%0.0115%0.051CC..  trans-137.2149.6164.7-61.8-63.4-177.7-97.27.7106.2E230 Y287 I288 N289 Q290 L438 R439 V536 L594 F595E230-R539 VanDerWaalsContact CD-NH2 3.34Å; E230-R539 IonicContact OE1-CZ 2.65Å; E230-R539 IonicContact OE1-NH2 3.63Å; E230-R539 PolarHBondContact OE1-NH2 3.43Å; E230-R539 IonicContact OE2-NH2 3.85Å; Y287-R539 HydrophobicContact CD1-CG 4.26Å; I288-R539 PolarHBondContact O-N 3.03Å; N289-R539 CarbonylContact C-O 3.57Å; N289-R539 WeakPolarHBondContact CA-O 3.34Å; Q290-R539 PolarHBondContact N-O 3.26Å; L438-R539 CarbonylContact O-C 3.55Å; L438-R539 WeakPolarHBondContact O-CA 3.4Å; R439-R539 WeakPolarHBondContact O-CD 3.45Å; R439-R539 VanDerWaalsContact O-CZ 3.27Å; R439-R539 PolarHBondContact O-NE 3.43Å; R439-R539 PolarHBondContact O-NH1 3.37Å; V536-R539 PolarHBondContact O-NH1 3.23Å; R539-L594 HydrophobicContact CB-CB 4.33Å; R539-L594 HydrophobicContact CB-CD1 4.23Å; R539-L594 HydrophobicContact CB-CD2 4.27Å; R539-L594 HydrophobicContact CG-CB 4.37Å; R539-L594 PolarHBondContact NE-O 3.09Å; R539-F595 HydrophobicContact CB-CE1 3.8Å; R539-F595 HydrophobicContact CB-CZ 4.01Å; R539-F595 HydrophobicContact CG-CD1 4.08Å; R539-F595 HydrophobicContact CG-CE1 3.53Å; R539-F595 HydrophobicContact CG-CZ 4.23Å
540A97.3Very high96Very high0 Ų012 Ų120%05%0.054CC..EExtended strand (participates in β ladder)trans-151.8158.8-179.600000113.6F291 L437 L438 Y542F291-A540 HydrophobicContact CD2-CB 3.69Å; F291-A540 HydrophobicContact CE2-CB 3.92Å; L437-A540 WeakPolarHBondContact CA-O 3.42Å; L438-A540 PolarHBondContact N-O 2.92Å; L438-A540 PolarHBondContact O-N 3.31Å; A540-Y542 HydrophobicContact CB-CD2 4.41Å; A540-Y542 HydrophobicContact CB-CE1 4.24Å; A540-Y542 HydrophobicContact CB-CE2 3.52Å; A540-Y542 VanDerWaalsContact CB-CZ 3.41Å; A540-Y542 WeakPolarHBondContact CB-OH 3.41Å
541L97.5Very high95.8Very high6 Ų611.4 Ų11.43%0.0315%0.051CC..EExtended strand (participates in β ladder)trans-123.4128.2174.6-179.5155.1000109W268 V435 L437 P574 F586 I590W268-L541 HydrophobicContact CH2-CB 3.93Å; W268-L541 HydrophobicContact CZ2-CB 4.08Å; V435-L541 HydrophobicContact CG1-CD1 3.83Å; V435-L541 HydrophobicContact CG1-CD2 4.14Å; V435-L541 HydrophobicContact CG1-CG 3.8Å; L437-L541 HydrophobicContact CD2-CB 3.89Å; L437-L541 HydrophobicContact CD2-CD1 3.69Å; L437-L541 HydrophobicContact CD2-CG 3.72Å; L541-P574 VanDerWaalsContact CD2-CD 3.46Å; L541-P574 HydrophobicContact CD2-CG 3.52Å; L541-F586 HydrophobicContact CD1-CE1 4.46Å; L541-F586 HydrophobicContact CD1-CZ 4.19Å; L541-I590 HydrophobicContact CD1-CD1 3.26Å; L541-I590 HydrophobicContact CD1-CG1 4.03Å; L541-I590 HydrophobicContact CD1-CG2 4.09Å
542Y97.9Very high95.3Very high0 Ų015.6 Ų15.60%08%0.079CC..EExtended strand (participates in β ladder)trans-125.2151.8176.9-52.9-73.7000110E294 F297 T298 V435 V436 L438 F520 A540 N571 F572E294-Y542 HydrophobicContact CB-CE1 4.31Å; E294-Y542 PolarHBondContact OE2-OH 3.05Å; F297-Y542 AromaticContact CE2-CD1 3.72Å; F297-Y542 HydrophobicContact CE2-CD1 3.72Å; F297-Y542 HydrophobicContact CE2-CD2 4.11Å; F297-Y542 AromaticContact CE2-CE1 3.75Å; F297-Y542 HydrophobicContact CE2-CE1 3.75Å; F297-Y542 HydrophobicContact CE2-CE2 4.11Å; F297-Y542 AromaticContact CE2-CG 3.91Å; F297-Y542 HydrophobicContact CE2-CG 3.91Å; F297-Y542 AromaticContact CE2-CZ 3.95Å; F297-Y542 HydrophobicContact CZ-CD1 4.14Å; F297-Y542 HydrophobicContact CZ-CD2 4.2Å; F297-Y542 AromaticContact CZ-CE1 3.71Å; F297-Y542 HydrophobicContact CZ-CE1 3.71Å; F297-Y542 AromaticContact CZ-CE2 3.74Å; F297-Y542 HydrophobicContact CZ-CE2 3.74Å; F297-Y542 HydrophobicContact CZ-CG 4.37Å; F297-Y542 AromaticContact CZ-CZ 3.49Å; F297-Y542 VanDerWaalsContact CZ-CZ 3.49Å; T298-Y542 HydrophobicContact CG2-CD1 3.91Å; T298-Y542 HydrophobicContact CG2-CE1 3.99Å; V435-Y542 CarbonylContact C-O 3.54Å; V435-Y542 WeakPolarHBondContact CA-O 3.45Å; V436-Y542 PolarHBondContact N-O 3.48Å; V436-Y542 PolarHBondContact O-N 3.42Å; L438-Y542 HydrophobicContact CB-CD2 4.47Å; L438-Y542 HydrophobicContact CB-CE2 3.9Å; L438-Y542 HydrophobicContact CD2-CE2 4.17Å; F520-Y542 AromaticContact CE1-CD2 3.7Å; F520-Y542 HydrophobicContact CE1-CD2 3.7Å; F520-Y542 AromaticContact CE1-CE2 3.73Å; F520-Y542 HydrophobicContact CE1-CE2 3.73Å; F520-Y542 AromaticContact CZ-CD2 3.58Å; F520-Y542 HydrophobicContact CZ-CD2 3.58Å; F520-Y542 HydrophobicContact CZ-CE2 4.11Å; F520-Y542 HydrophobicContact CZ-CG 4.27Å; A540-Y542 HydrophobicContact CB-CD2 4.41Å; A540-Y542 HydrophobicContact CB-CE1 4.24Å; A540-Y542 HydrophobicContact CB-CE2 3.52Å; A540-Y542 VanDerWaalsContact CB-CZ 3.41Å; A540-Y542 WeakPolarHBondContact CB-OH 3.41Å; Y542-N571 CarbonylContact C-O 3.47Å; Y542-N571 WeakPolarHBondContact CA-O 3.44Å; Y542-F572 HydrophobicContact CD1-CB 4.33Å; Y542-F572 HydrophobicContact CE1-CB 4.38Å; Y542-F572 HydrophobicContact CE1-CD2 4.22Å
543A97.1Very high94.2Very high0 Ų017.6 Ų17.60%09%0.089CC..EExtended strand (participates in β ladder)trans-106128.9162.400000109.7R433 Y434 V570 N571 P574R433-A543 HydrophobicContact CG-CB 3.86Å; Y434-A543 CarbonylContact O-C 3.6Å; Y434-A543 VanDerWaalsContact O-CA 3.29Å; Y434-A543 WeakPolarHBondContact O-CA 3.32Å; A543-V570 CarbonylContact O-C 3.57Å; A543-V570 WeakPolarHBondContact O-CA 3.5Å; A543-N571 HydrophobicContact CB-CB 4.46Å; A543-N571 PolarHBondContact N-O 2.9Å; A543-N571 PolarHBondContact O-N 3.25Å; A543-P574 HydrophobicContact CB-CB 3.38Å; A543-P574 HydrophobicContact CB-CG 3.57Å
544V98.1Very high92.8Very high0 Ų023.2 Ų23.20%012%0.115CC..EExtended strand (participates in β ladder)trans-103.4116.2171-176.60000107.9R433 Y434 V436 L516 I519 V567 V570R433-V544 WeakPolarHBondContact CA-O 3.4Å; Y434-V544 PolarHBondContact N-O 2.87Å; Y434-V544 PolarHBondContact O-N 3.13Å; V436-V544 HydrophobicContact CG2-CG2 3.82Å; L516-V544 HydrophobicContact CD2-CB 3.68Å; L516-V544 HydrophobicContact CD2-CG1 3.72Å; L516-V544 HydrophobicContact CD2-CG2 3.71Å; I519-V544 HydrophobicContact CD1-CG1 4.2Å; V544-V567 HydrophobicContact CG1-CG1 4.25Å; V544-V567 HydrophobicContact CG1-CG2 4.32Å; V544-V570 HydrophobicContact CG1-CG2 4.31Å; V544-V570 HydrophobicContact CG2-CG1 4.01Å; V544-V570 HydrophobicContact CG2-CG2 4.06Å
545D97.1Very high91Very high3 Ų330.2 Ų30.22%0.01614%0.14CC..EExtended strand (participates in β ladder)trans-97.6125.8176.8-67.2-8.8000108.4I432 R433 R455 C568 E569I432-D545 WeakPolarHBondContact O-CA 3.44Å; R433-D545 WeakPolarHBondContact CB-OD1 3.27Å; R433-D545 WeakPolarHBondContact CG-OD1 3.32Å; R433-D545 IonicContact CZ-OD1 2.88Å; R433-D545 IonicContact CZ-OD2 3.87Å; R433-D545 IonicContact NE-OD1 3.96Å; R433-D545 PolarHBondContact NE-OD1 2.98Å; R433-D545 IonicContact NE-OD2 2.65Å; R433-D545 IonicContact NH2-OD1 3.48Å; R433-D545 PolarHBondContact NH2-OD1 2.87Å; R433-D545 IonicContact NH2-OD2 3.69Å; R433-D545 PolarHBondContact NH2-OD2 3.22Å; R455-D545 IonicContact CZ-OD2 3.18Å; R455-D545 IonicContact NH1-OD2 3.6Å; R455-D545 IonicContact NH2-OD1 3.58Å; R455-D545 PolarHBondContact NH2-OD1 2.82Å; R455-D545 IonicContact NH2-OD2 2.93Å; R455-D545 PolarHBondContact NH2-OD2 3.15Å; D545-C568 HydrophobicContact CB-CB 4.5Å; D545-C568 WeakPolarHBondContact O-CB 3.26Å; D545-C568 PolarHBondContact O-N 2.85Å; D545-E569 HydrophobicContact CB-CG 4.01Å; D545-E569 PolarHBondContact N-O 2.81Å; D545-E569 PolarHBondContact O-N 2.86Å
546L97.7Very high89.1Confident0 Ų031.5 Ų31.50%015%0.152CC..EExtended strand (participates in β ladder)trans-137.6155.3-176.866.789.6000112D431 I432 Y434 I512 L548 P565 V566D431-L546 WeakPolarHBondContact CA-O 3Å; I432-L546 HydrophobicContact CB-CD1 4.06Å; I432-L546 HydrophobicContact CB-CG 4.27Å; I432-L546 HydrophobicContact CD1-CD1 3.63Å; I432-L546 HydrophobicContact CG1-CD1 4.44Å; I432-L546 PolarHBondContact N-O 3.39Å; I432-L546 PolarHBondContact O-N 2.87Å; Y434-L546 HydrophobicContact CD2-CD2 4.23Å; I512-L546 HydrophobicContact CD1-CD1 4.22Å; I512-L546 HydrophobicContact CD1-CD2 4.47Å; I512-L546 HydrophobicContact CG1-CD1 4.36Å; I512-L546 HydrophobicContact CG1-CD2 4.19Å; I512-L546 HydrophobicContact CG2-CD2 3.63Å; L546-L548 HydrophobicContact CD1-CD2 3.9Å; L546-P565 HydrophobicContact CD1-CB 4.2Å; L546-V566 CarbonylContact C-O 3.49Å; L546-V566 VanDerWaalsContact CA-O 3.25Å; L546-V566 WeakPolarHBondContact CA-O 3.38Å; L546-V566 WeakPolarHBondContact CB-O 3.38Å
547L98Very high87.1Confident11 Ų1137.6 Ų37.66%0.05820%0.195CC..EExtended strand (participates in β ladder)trans-109.3164.2167.1-68.6170.7000108.6I413 K429 F430 D431 V566 C568I413-L547 HydrophobicContact CD1-CB 3.64Å; I413-L547 HydrophobicContact CD1-CD1 3.74Å; I413-L547 HydrophobicContact CD1-CG 4.31Å; K429-L547 HydrophobicContact CG-CD2 4.24Å; F430-L547 WeakPolarHBondContact O-CD2 3.28Å; D431-L547 HydrophobicContact CB-CD2 3.79Å; L547-V566 PolarHBondContact N-O 3.25Å; L547-V566 PolarHBondContact O-N 3.32Å; L547-C568 VanDerWaalsContact CG-SG 3.57Å
548L98.1Very high85.2Confident1 Ų140.4 Ų40.41%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-108.7135.2170.4-61.7-178.1000108.2P416 V417 F430 I432 F496 W505 V508 I512 L546 I563 Y564 P565P416-L548 CarbonylContact C-O 3.58Å; P416-L548 VanDerWaalsContact CA-O 3.26Å; P416-L548 WeakPolarHBondContact CA-O 3.48Å; V417-L548 HydrophobicContact CB-CB 3.76Å; V417-L548 HydrophobicContact CG2-CB 3.59Å; V417-L548 PolarHBondContact N-O 2.79Å; F430-L548 HydrophobicContact CE2-CD1 4.46Å; F430-L548 HydrophobicContact CZ-CD1 4.12Å; I432-L548 HydrophobicContact CD1-CD1 3.89Å; I432-L548 HydrophobicContact CD1-CD2 4.16Å; I432-L548 HydrophobicContact CD1-CG 3.77Å; F496-L548 HydrophobicContact CE2-CD1 4.4Å; F496-L548 HydrophobicContact CZ-CD1 4.5Å; W505-L548 HydrophobicContact CH2-CD1 4.48Å; W505-L548 HydrophobicContact CZ3-CD1 3.87Å; V508-L548 HydrophobicContact CG1-CD1 3.83Å; V508-L548 HydrophobicContact CG1-CD2 3.9Å; I512-L548 HydrophobicContact CD1-CD2 4.38Å; L546-L548 HydrophobicContact CD1-CD2 3.9Å; L548-I563 HydrophobicContact CB-CG2 3.89Å; L548-I563 HydrophobicContact CD1-CG2 4.07Å; L548-I563 HydrophobicContact CD2-CG2 4.11Å; L548-I563 HydrophobicContact CG-CG2 4.24Å; L548-Y564 WeakPolarHBondContact CA-O 3.42Å; L548-P565 HydrophobicContact CD2-CB 3.9Å
549E95.7Very high83.5Confident18 Ų1848.3 Ų48.38%0.08426%0.255CS..EExtended strand (participates in β ladder)trans-123.1137.7-178.8-179.3175.7-142.300110.2I413 R551 Y564 V566I413-E549 HydrophobicContact CG2-CB 3.87Å; I413-E549 HydrophobicContact CG2-CG 3.81Å; E549-R551 HydrophobicContact CG-CG 4.06Å; E549-R551 IonicContact OE2-CZ 3.45Å; E549-R551 IonicContact OE2-NE 2.72Å; E549-R551 PolarHBondContact OE2-NE 2.84Å; E549-R551 IonicContact OE2-NH2 3.62Å; E549-R551 PolarHBondContact OE2-NH2 3.2Å; E549-Y564 PolarHBondContact N-O 3.04Å; E549-Y564 PolarHBondContact O-N 2.98Å; E549-V566 HydrophobicContact CB-CG2 3.87Å
550W93.9Very high82.7Confident42 Ų4254.8 Ų54.816%0.15928%0.284CS..EExtended strand (participates in β ladder)trans-78.2124.1167.8-67.6112.7000110D415 V417 Y500 H503 K561 I563D415-W550 HydrophobicContact CB-CB 4.34Å; D415-W550 PolarHBondContact O-N 3.02Å; D415-W550 WeakPolarHBondContact OD2-CB 3.26Å; V417-W550 HydrophobicContact CG1-CZ2 4.18Å; V417-W550 HydrophobicContact CG2-CD2 4.08Å; V417-W550 HydrophobicContact CG2-CG 4.28Å; V417-W550 HydrophobicContact CG2-CZ2 4.13Å; Y500-W550 HydrophobicContact CD1-CH2 4.2Å; Y500-W550 AromaticContact CD1-CZ2 3.93Å; Y500-W550 HydrophobicContact CD1-CZ2 3.93Å; Y500-W550 HydrophobicContact CE1-CH2 4.4Å; Y500-W550 AromaticContact CE1-CZ2 3.69Å; Y500-W550 HydrophobicContact CE1-CZ2 3.69Å; H503-W550 AromaticContact CD2-CH2 3.79Å; H503-W550 AromaticContact CD2-CZ3 3.91Å; H503-W550 AromaticContact CE1-CZ3 3.94Å; H503-W550 AromaticContact NE2-CZ3 3.72Å; W550-K561 HydrophobicContact CB-CB 4.39Å; W550-K561 HydrophobicContact CB-CD 3.92Å; W550-K561 HydrophobicContact CE3-CB 3.96Å; W550-I563 HydrophobicContact CD2-CG1 4.3Å; W550-I563 HydrophobicContact CE3-CG1 3.7Å; W550-I563 HydrophobicContact CH2-CD1 3.61Å; W550-I563 HydrophobicContact CH2-CG1 3.52Å; W550-I563 HydrophobicContact CZ2-CD1 4.1Å; W550-I563 HydrophobicContact CZ2-CG1 4.12Å; W550-I563 HydrophobicContact CZ3-CD1 3.94Å; W550-I563 HydrophobicContact CZ3-CG1 3.29Å
551R89.1Confident82.2Confident46 Ų4659.2 Ų59.217%0.17430%0.303CS..EExtended strand (participates in β ladder)trans-127.3151.6174-60.4-173.2179165.22.9111.5N334 E549 N553 K561 D562 Y564N334-R551 PolarHBondContact O-NH1 3.09Å; N334-R551 PolarHBondContact O-NH2 2.86Å; E549-R551 HydrophobicContact CG-CG 4.06Å; E549-R551 IonicContact OE2-CZ 3.45Å; E549-R551 IonicContact OE2-NE 2.72Å; E549-R551 PolarHBondContact OE2-NE 2.84Å; E549-R551 IonicContact OE2-NH2 3.62Å; E549-R551 PolarHBondContact OE2-NH2 3.2Å; R551-N553 PolarHBondContact O-N 2.95Å; R551-K561 CarbonylContact O-C 3.56Å; R551-K561 WeakPolarHBondContact O-CA 3.23Å; R551-K561 WeakPolarHBondContact O-CB 3.36Å; R551-D562 PolarHBondContact N-O 2.89Å; R551-D562 PolarHBondContact O-N 3.46Å; R551-Y564 HydrophobicContact CB-CD2 3.67Å; R551-Y564 HydrophobicContact CB-CE2 3.95Å; R551-Y564 HydrophobicContact CG-CD2 3.98Å; R551-Y564 HydrophobicContact CG-CG 4.39Å
552P82.6Confident82Confident88 Ų8860.4 Ų60.457%0.57131%0.309SS*.EExtended strand (participates in β ladder)trans-54.2135.1169.5-2233.1000110.8E554P552-E554 PolarHBondContact O-N 3.42Å
553N71.7Confident81.9Confident46 Ų4660.4 Ų60.425%0.24631%0.309CS..  trans-81.7103171.7-174.4-14.5000109.3R551 Y555 A556 K560 D562R551-N553 PolarHBondContact O-N 2.95Å; N553-Y555 PolarHBondContact O-N 3.11Å; N553-Y555 VanDerWaalsContact O-N 3.11Å; N553-Y555 PolarHBondContact OD1-N 3.24Å; N553-Y555 VanDerWaalsContact OD1-N 3.08Å; N553-A556 HydrophobicContact CB-CB 3.92Å; N553-A556 PolarHBondContact O-N 2.92Å; N553-A556 VanDerWaalsContact O-N 3.15Å; N553-K560 WeakPolarHBondContact CB-O 3.33Å; N553-K560 PolarHBondContact N-O 3.35Å; N553-D562 HydrophobicContact CB-CB 4.39Å
554E63.6Low81.8Confident148 Ų14862.8 Ų62.869%0.69232%0.319SS*.THydrogen-bonded Turntrans-59.6-22-179-63.3-176.5175.300113.6P552P552-E554 PolarHBondContact O-N 3.42Å
555Y55.6Low81.8Confident206 Ų20663.2 Ų63.281%0.80832%0.321SS*.THydrogen-bonded Turntrans-94.9-7.7-178.1-56.7-74.9000113.9N553N553-Y555 PolarHBondContact O-N 3.11Å; N553-Y555 VanDerWaalsContact O-N 3.11Å; N553-Y555 PolarHBondContact OD1-N 3.24Å; N553-Y555 VanDerWaalsContact OD1-N 3.08Å
556A56.2Low81.8Confident34 Ų3463.1 Ų63.128%0.28132%0.321SS..  trans-92.7132.9-177.600000111.2N553 S558N553-A556 HydrophobicContact CB-CB 3.92Å; N553-A556 PolarHBondContact O-N 2.92Å; N553-A556 VanDerWaalsContact O-N 3.15Å; A556-S558 WeakPolarHBondContact CB-O 3.48Å; A556-S558 PolarHBondContact O-N 2.81Å; A556-S558 VanDerWaalsContact O-N 3.14Å
557S52.2Low81.8Confident138 Ų13863.2 Ų63.297%0.96532%0.321SS*.SBendtrans-67.3-8.4173.356.70000114.3
558S55.4Low81.7Confident58 Ų5864 Ų6441%0.40633%0.327SS..SBendtrans-118.5151.7176.257.20000108.8A556 K560A556-S558 WeakPolarHBondContact CB-O 3.48Å; A556-S558 PolarHBondContact O-N 2.81Å; A556-S558 VanDerWaalsContact O-N 3.14Å; S558-K560 PolarHBondContact O-N 2.99Å
559I62.1Low81.5Confident166 Ų16666 Ų6685%0.85134%0.337SS*.  trans-69.260.3176.1-49.2170.2000109.5
560K79.5Confident81.6Confident140 Ų14065.2 Ų65.261%0.60933%0.333SS*.  trans-90.1127.8170.9-78.3-172.4177.2-166.90107.5N553 S558N553-K560 WeakPolarHBondContact CB-O 3.33Å; N553-K560 PolarHBondContact N-O 3.35Å; S558-K560 PolarHBondContact O-N 2.99Å
561K87.9Confident81.6Confident92 Ų9265 Ų6540%0.434%0.335SS..EExtended strand (participates in β ladder)trans-80.9153.4168.3-63.9-172.6-176.7178.70109.4D415 H503 W550 R551D415-K561 IonicContact OD2-NZ 2.79Å; D415-K561 PolarHBondContact OD2-NZ 3.43Å; H503-K561 PolarHBondContact CE1-O 3.42Å; W550-K561 HydrophobicContact CB-CB 4.39Å; W550-K561 HydrophobicContact CB-CD 3.92Å; W550-K561 HydrophobicContact CE3-CB 3.96Å; R551-K561 CarbonylContact O-C 3.56Å; R551-K561 WeakPolarHBondContact O-CA 3.23Å; R551-K561 WeakPolarHBondContact O-CB 3.36Å
562D92.6Very high81.7Confident32 Ų3264.6 Ų64.617%0.17134%0.335CS..EExtended strand (participates in β ladder)trans-129.3159.4172.3-165.68.1000109.5H503 K511 R551 N553 Y564H503-D562 IonicContact CE1-OD1 3.55Å; H503-D562 IonicContact ND1-OD1 2.77Å; H503-D562 PolarHBondContact ND1-OD1 3.43Å; K511-D562 IonicContact NZ-OD1 2.66Å; K511-D562 PolarHBondContact NZ-OD1 2.89Å; K511-D562 IonicContact NZ-OD2 3.29Å; K511-D562 PolarHBondContact NZ-OD2 3.47Å; R551-D562 PolarHBondContact N-O 2.89Å; R551-D562 PolarHBondContact O-N 3.46Å; N553-D562 HydrophobicContact CB-CB 4.39Å; D562-Y564 HydrophobicContact CB-CE2 4.01Å
563I95.4Very high81.9Confident0 Ų061.3 Ų61.30%031%0.314CS..EExtended strand (participates in β ladder)trans-88.8125.7-177.3-60-179000109.3V417 F496 H503 V508 K511 L548 W550V417-I563 HydrophobicContact CG1-CD1 4.37Å; V417-I563 HydrophobicContact CG2-CB 4.39Å; V417-I563 HydrophobicContact CG2-CD1 4.01Å; V417-I563 HydrophobicContact CG2-CG1 3.87Å; V417-I563 HydrophobicContact CG2-CG2 3.83Å; F496-I563 HydrophobicContact CZ-CD1 3.83Å; H503-I563 HydrophobicContact CB-CD1 3.72Å; H503-I563 HydrophobicContact CB-CG1 4.39Å; V508-I563 HydrophobicContact CG1-CG2 3.99Å; V508-I563 HydrophobicContact CG2-CB 4.28Å; V508-I563 HydrophobicContact CG2-CD1 4.1Å; V508-I563 HydrophobicContact CG2-CG2 4.22Å; K511-I563 WeakPolarHBondContact CD-O 3.32Å; K511-I563 PolarHBondContact NZ-O 3.34Å; L548-I563 HydrophobicContact CB-CG2 3.89Å; L548-I563 HydrophobicContact CD1-CG2 4.07Å; L548-I563 HydrophobicContact CD2-CG2 4.11Å; L548-I563 HydrophobicContact CG-CG2 4.24Å; W550-I563 HydrophobicContact CD2-CG1 4.3Å; W550-I563 HydrophobicContact CE3-CG1 3.7Å; W550-I563 HydrophobicContact CH2-CD1 3.61Å; W550-I563 HydrophobicContact CH2-CG1 3.52Å; W550-I563 HydrophobicContact CZ2-CD1 4.1Å; W550-I563 HydrophobicContact CZ2-CG1 4.12Å; W550-I563 HydrophobicContact CZ3-CD1 3.94Å; W550-I563 HydrophobicContact CZ3-CG1 3.29Å
564Y95.3Very high82.8Confident50 Ų5059.8 Ų59.820%0.19631%0.307CS..EExtended strand (participates in β ladder)trans-119.3130175.6-74.9-95.7000110.6L548 E549 R551 D562L548-Y564 WeakPolarHBondContact CA-O 3.42Å; E549-Y564 PolarHBondContact N-O 3.04Å; E549-Y564 PolarHBondContact O-N 2.98Å; R551-Y564 HydrophobicContact CB-CD2 3.67Å; R551-Y564 HydrophobicContact CB-CE2 3.95Å; R551-Y564 HydrophobicContact CG-CD2 3.98Å; R551-Y564 HydrophobicContact CG-CG 4.39Å; D562-Y564 HydrophobicContact CB-CE2 4.01Å
565P97.9Very high83.8Confident9 Ų955.5 Ų55.56%0.05829%0.288CS..EExtended strand (participates in β ladder)trans-76.8137.8172.232.5-33.7000110.9K511 I512 L515 L546 L548K511-P565 HydrophobicContact CB-CG 4.14Å; I512-P565 HydrophobicContact CG1-CB 3.7Å; I512-P565 HydrophobicContact CG1-CG 4.08Å; L515-P565 HydrophobicContact CB-CG 4.39Å; L515-P565 HydrophobicContact CD1-CB 3.73Å; L515-P565 HydrophobicContact CD1-CG 3.61Å; L515-P565 WeakPolarHBondContact CD1-O 3.43Å; L546-P565 HydrophobicContact CD1-CB 4.2Å; L548-P565 HydrophobicContact CD2-CB 3.9Å
566V97.7Very high85.5Confident1 Ų146 Ų461%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-130.8119.2-177.2-174.50000109.3W335 I413 L546 L547 E549W335-V566 CarbonylContact O-C 3.52Å; W335-V566 WeakPolarHBondContact O-CA 3.37Å; I413-V566 HydrophobicContact CD1-CB 3.71Å; I413-V566 HydrophobicContact CD1-CG1 3.77Å; I413-V566 HydrophobicContact CD1-CG2 4.17Å; I413-V566 HydrophobicContact CG1-CG1 4.45Å; L546-V566 CarbonylContact C-O 3.49Å; L546-V566 VanDerWaalsContact CA-O 3.25Å; L546-V566 WeakPolarHBondContact CA-O 3.38Å; L546-V566 WeakPolarHBondContact CB-O 3.38Å; L547-V566 PolarHBondContact N-O 3.25Å; L547-V566 PolarHBondContact O-N 3.32Å; E549-V566 HydrophobicContact CB-CG2 3.87Å
567V98Very high87Confident1 Ų150.4 Ų50.41%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-69.2133.4-179.2-179.60000110L303 W335 Y336 L515 I519 V544 V570L303-V567 HydrophobicContact CD2-CG1 4.01Å; W335-V567 HydrophobicContact CE3-CB 4.42Å; W335-V567 HydrophobicContact CE3-CG2 3.92Å; W335-V567 PolarHBondContact O-N 2.87Å; Y336-V567 HydrophobicContact CD2-CB 4.02Å; Y336-V567 HydrophobicContact CD2-CG1 4.36Å; Y336-V567 HydrophobicContact CE2-CB 4.43Å; Y336-V567 HydrophobicContact CE2-CG1 4.35Å; L515-V567 HydrophobicContact CD1-CG2 4.06Å; L515-V567 HydrophobicContact CD2-CG2 3.72Å; L515-V567 HydrophobicContact CG-CG2 4.17Å; I519-V567 HydrophobicContact CD1-CG2 3.68Å; I519-V567 HydrophobicContact CG1-CG2 4.49Å; V544-V567 HydrophobicContact CG1-CG1 4.25Å; V544-V567 HydrophobicContact CG1-CG2 4.32Å; V567-V570 HydrophobicContact CG1-CG2 4.27Å
568C95.4Very high88.7Confident28 Ų2845.7 Ų45.719%0.18923%0.228CC..EExtended strand (participates in β ladder)trans-94.1-46.3171.7-69.10000111.7K379 D545 L547K379-C568 PolarHBondContact NZ-O 2.98Å; D545-C568 HydrophobicContact CB-CB 4.5Å; D545-C568 WeakPolarHBondContact O-CB 3.26Å; D545-C568 PolarHBondContact O-N 2.85Å; L547-C568 VanDerWaalsContact CG-SG 3.57Å
569E94.6Very high90.3Very high42 Ų4243.2 Ų43.220%0.19621%0.211CC..EExtended strand (participates in β ladder)trans-164.4158.9178.156.1-179.1-158.600111K300 D545 N571K300-E569 WeakPolarHBondContact CE-OE2 3.31Å; K300-E569 IonicContact NZ-OE2 3.58Å; D545-E569 HydrophobicContact CB-CG 4.01Å; D545-E569 PolarHBondContact N-O 2.81Å; D545-E569 PolarHBondContact O-N 2.86Å; E569-N571 PolarHBondContact OE1-ND2 2.94Å
570V96.4Very high91.8Very high2 Ų235.3 Ų35.31%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-117.1128.9165.9-173.30000108F297 T298 L303 A543 V544 V567F297-V570 HydrophobicContact CD2-CB 4.06Å; F297-V570 HydrophobicContact CD2-CG1 3.66Å; F297-V570 HydrophobicContact CD2-CG2 4.49Å; F297-V570 HydrophobicContact CE2-CG1 3.91Å; F297-V570 WeakPolarHBondContact O-CB 3.4Å; T298-V570 WeakPolarHBondContact CA-O 3.4Å; T298-V570 HydrophobicContact CG2-CG1 4.45Å; L303-V570 HydrophobicContact CD2-CG2 4.09Å; A543-V570 CarbonylContact O-C 3.57Å; A543-V570 WeakPolarHBondContact O-CA 3.5Å; V544-V570 HydrophobicContact CG1-CG2 4.31Å; V544-V570 HydrophobicContact CG2-CG1 4.01Å; V544-V570 HydrophobicContact CG2-CG2 4.06Å; V567-V570 HydrophobicContact CG1-CG2 4.27Å
571N93.6Very high92.2Very high38 Ų3833.7 Ų33.720%0.20317%0.168CC..EExtended strand (participates in β ladder)trans-112.9126.1-175.6-69.7-59.1000110.2Y542 A543 E569 P574Y542-N571 CarbonylContact C-O 3.47Å; Y542-N571 WeakPolarHBondContact CA-O 3.44Å; A543-N571 HydrophobicContact CB-CB 4.46Å; A543-N571 PolarHBondContact N-O 2.9Å; A543-N571 PolarHBondContact O-N 3.25Å; E569-N571 PolarHBondContact OE1-ND2 2.94Å; N571-P574 HydrophobicContact CB-CB 4.35Å
572F92.3Very high92.3Very high38 Ų3833.3 Ų33.317%0.16716%0.164CC..EExtended strand (participates in β ladder)trans-74.8142.9161.6166.3-110.5000110.2M269 Y270 Q290 E294 T298 Y542M269-F572 WeakPolarHBondContact O-CZ 3.46Å; Y270-F572 WeakPolarHBondContact O-CE1 3.49Å; Q290-F572 HydrophobicContact CG-CD2 4.32Å; Q290-F572 HydrophobicContact CG-CE1 4.21Å; Q290-F572 HydrophobicContact CG-CE2 3.38Å; Q290-F572 HydrophobicContact CG-CZ 3.3Å; E294-F572 WeakPolarHBondContact OE1-CD2 3.46Å; E294-F572 WeakPolarHBondContact OE1-CG 3.45Å; T298-F572 HydrophobicContact CG2-CB 4.02Å; Y542-F572 HydrophobicContact CD1-CB 4.33Å; Y542-F572 HydrophobicContact CE1-CB 4.38Å; Y542-F572 HydrophobicContact CE1-CD2 4.22Å
573S86.8Confident92.2Very high18 Ų1834.1 Ų34.113%0.12617%0.167CC..SBendtrans44.358-178.8-68.40000113
574P90.2Very high92.2Very high15 Ų1537.7 Ų37.710%0.09719%0.19CC..  trans-63.3160-177.931.5-38.7000111.7L541 A543 N571 C576L541-P574 VanDerWaalsContact CD2-CD 3.46Å; L541-P574 HydrophobicContact CD2-CG 3.52Å; A543-P574 HydrophobicContact CB-CB 3.38Å; A543-P574 HydrophobicContact CB-CG 3.57Å; N571-P574 HydrophobicContact CB-CB 4.35Å; P574-C576 PolarHBondContact O-N 2.93Å; P574-C576 VanDerWaalsContact O-N 3.15Å; P574-C576 PolarHBondContact O-SG 2.8Å; P574-C576 VanDerWaalsContact O-SG 3.33Å
575D85.6Confident92.1Very high57 Ų5740 Ų4031%0.30521%0.206SC..  trans-61.4117.8167.9176.116000110.5E577D575-E577 VanDerWaalsContact OD1-CB 3.27Å; D575-E577 WeakPolarHBondContact OD1-CB 3.08Å; D575-E577 PolarHBondContact OD1-N 3.22Å
576C90.5Very high92Very high7 Ų739.5 Ų39.55%0.04720%0.203CC..  trans-109.913.8-179.4-66.60000112.6P574 R578 A579 C580 F586 F587P574-C576 PolarHBondContact O-N 2.93Å; P574-C576 VanDerWaalsContact O-N 3.15Å; P574-C576 PolarHBondContact O-SG 2.8Å; P574-C576 VanDerWaalsContact O-SG 3.33Å; C576-R578 PolarHBondContact O-N 3.1Å; C576-A579 HydrophobicContact CB-CB 4.26Å; C576-A579 WeakPolarHBondContact O-CB 3.12Å; C576-A579 PolarHBondContact O-N 3.14Å; C576-A579 VanDerWaalsContact O-N 3.09Å; C576-C580 PolarHBondContact O-N 3.14Å; C576-C580 PolarHBondContact O-SG 3.18Å; C576-F586 HydrophobicContact CB-CD1 4.46Å; C576-F586 HydrophobicContact CB-CE1 3.83Å; C576-F586 VanDerWaalsContact SG-CE1 3.59Å; C576-F587 HydrophobicContact CB-CE2 4.43Å; C576-F587 HydrophobicContact CB-CZ 4.25Å
577E87.8Confident92Very high127 Ų12739.7 Ų39.759%0.59320%0.204SC*.Hα-helixtrans-56.6-51.5-177.2-174176.5-175.300111.6D575 A579 C580 L581D575-E577 VanDerWaalsContact OD1-CB 3.27Å; D575-E577 WeakPolarHBondContact OD1-CB 3.08Å; D575-E577 PolarHBondContact OD1-N 3.22Å; E577-A579 VanDerWaalsContact C-N 3.31Å; E577-A579 PolarHBondContact O-N 3.06Å; E577-C580 PolarHBondContact O-N 3.37Å; E577-L581 WeakPolarHBondContact O-CB 3.47Å; E577-L581 PolarHBondContact O-N 3.38Å
578R87.2Confident91.9Very high39 Ų3940 Ų4015%0.14721%0.205CC..Hα-helixtrans-63.1-37.6175.9-68.7-167.6-64.6162-2.4112.3L454 C576 L581 Y582L454-R578 PolarHBondContact O-NH1 2.94Å; C576-R578 PolarHBondContact O-N 3.1Å; R578-L581 PolarHBondContact O-N 3.16Å; R578-Y582 HydrophobicContact CB-CD2 4.11Å; R578-Y582 HydrophobicContact CB-CE2 4.09Å; R578-Y582 HydrophobicContact CG-CE2 4.24Å; R578-Y582 WeakPolarHBondContact O-CD2 3.5Å; R578-Y582 PolarHBondContact O-N 3.47Å
579A90.2Very high92Very high5 Ų539.8 Ų39.84%0.04120%0.202CC..Hα-helixtrans-61.3-47.5178.400000110.6W453 C576 E577 H583 F586W453-A579 HydrophobicContact CH2-CB 3.81Å; W453-A579 HydrophobicContact CZ2-CB 3.27Å; C576-A579 HydrophobicContact CB-CB 4.26Å; C576-A579 WeakPolarHBondContact O-CB 3.12Å; C576-A579 PolarHBondContact O-N 3.14Å; C576-A579 VanDerWaalsContact O-N 3.09Å; E577-A579 VanDerWaalsContact C-N 3.31Å; E577-A579 PolarHBondContact O-N 3.06Å; A579-H583 CarbonylContact O-C 3.59Å; A579-H583 VanDerWaalsContact O-CA 3.32Å; A579-H583 WeakPolarHBondContact O-CA 3.25Å; A579-H583 VanDerWaalsContact O-CB 3.31Å; A579-H583 WeakPolarHBondContact O-CB 3.41Å; A579-H583 PolarHBondContact O-N 2.79Å; A579-F586 HydrophobicContact CB-CD1 3.98Å; A579-F586 HydrophobicContact CB-CD2 3.94Å; A579-F586 HydrophobicContact CB-CE1 3.97Å; A579-F586 HydrophobicContact CB-CE2 3.94Å; A579-F586 HydrophobicContact CB-CG 3.95Å; A579-F586 HydrophobicContact CB-CZ 3.93Å
580C92.4Very high92Very high1 Ų137.8 Ų37.81%0.00719%0.193CC..Hα-helixtrans-68.9-39.3178.7-61.30000112.7Y249 C576 E577 H583 P584 F587Y249-C580 HydrophobicContact CD1-CB 3.76Å; Y249-C580 HydrophobicContact CD2-CB 3.58Å; Y249-C580 HydrophobicContact CE1-CB 3.74Å; Y249-C580 WeakPolarHBondContact CE1-O 3.49Å; Y249-C580 HydrophobicContact CE2-CB 3.58Å; Y249-C580 HydrophobicContact CG-CB 3.67Å; C576-C580 PolarHBondContact O-N 3.14Å; C576-C580 PolarHBondContact O-SG 3.18Å; E577-C580 PolarHBondContact O-N 3.37Å; C580-H583 CarbonylContact O-C 3.48Å; C580-P584 VanDerWaalsContact O-CA 3.32Å; C580-P584 WeakPolarHBondContact O-CA 3.47Å; C580-F587 VanDerWaalsContact SG-CD2 3.59Å; C580-F587 WeakPolarHBondContact SG-CE2 3.36Å
581L89.1Confident92.1Very high105 Ų10537.7 Ų37.755%0.5519%0.192SC..Hα-helixtrans-63.3-48.3179.2-178.665.3000111.9E577 R578E577-L581 WeakPolarHBondContact O-CB 3.47Å; E577-L581 PolarHBondContact O-N 3.38Å; R578-L581 PolarHBondContact O-N 3.16Å
582Y89Confident92.2Very high85 Ų8536 Ų3633%0.33318%0.183SC..Hα-helixtrans-87.6-23.7-176.5-61.5-59.5000113.4H488 R578H488-Y582 AromaticContact CE1-CD1 3.71Å; H488-Y582 AromaticContact CE1-CG 3.85Å; R578-Y582 HydrophobicContact CB-CD2 4.11Å; R578-Y582 HydrophobicContact CB-CE2 4.09Å; R578-Y582 HydrophobicContact CG-CE2 4.24Å; R578-Y582 WeakPolarHBondContact O-CD2 3.5Å; R578-Y582 PolarHBondContact O-N 3.47Å
583H91.9Very high92.3Very high48 Ų4834.2 Ų34.222%0.22218%0.176CC..  trans-130.382.6176-56.8-82000109.4A579 C580 N585 F586A579-H583 CarbonylContact O-C 3.59Å; A579-H583 VanDerWaalsContact O-CA 3.32Å; A579-H583 WeakPolarHBondContact O-CA 3.25Å; A579-H583 VanDerWaalsContact O-CB 3.31Å; A579-H583 WeakPolarHBondContact O-CB 3.41Å; A579-H583 PolarHBondContact O-N 2.79Å; C580-H583 CarbonylContact O-C 3.48Å; H583-N585 PolarHBondContact O-N 3.25Å; H583-F586 HydrophobicContact CB-CB 4.36Å; H583-F586 WeakPolarHBondContact O-CB 3.42Å; H583-F586 PolarHBondContact O-N 2.72Å
584P93.7Very high92.7Very high76 Ų7633.4 Ų33.449%0.49417%0.17SC..THydrogen-bonded Turntrans-58.5-22.6-177.1-27.636.1000114.8Y249 C580 F586Y249-P584 HydrophobicContact CD1-CB 4.38Å; Y249-P584 HydrophobicContact CE1-CB 4.4Å; C580-P584 VanDerWaalsContact O-CA 3.32Å; C580-P584 WeakPolarHBondContact O-CA 3.47Å; P584-F586 VanDerWaalsContact C-N 3.3Å
585N94.8Very high92.9Very high97 Ų9733 Ų3352%0.51917%0.167SC..THydrogen-bonded Turntrans-83.12.6174.1-76.1-34.4000114.3H583 F587 N588 D589H583-N585 PolarHBondContact O-N 3.25Å; N585-F587 PolarHBondContact O-N 3.4Å; N585-N588 HydrophobicContact CB-CB 4.47Å; N585-N588 WeakPolarHBondContact O-CA 3.37Å; N585-N588 WeakPolarHBondContact O-CB 3.45Å; N585-N588 PolarHBondContact O-N 3.26Å; N585-N588 PolarHBondContact OD1-ND2 2.88Å; N585-N588 VanDerWaalsContact OD1-ND2 3.11Å; N585-D589 PolarHBondContact O-N 2.72Å
586F95.9Very high93.3Very high0 Ų031.9 Ų31.90%016%0.161CC..Hα-helixtrans-50.3-53.5-174.3175.2-105.8000113V435 Y449 W453 L541 C576 A579 H583 P584 N588 D589 I590V435-F586 HydrophobicContact CG1-CE2 4.27Å; V435-F586 HydrophobicContact CG1-CZ 4.11Å; V435-F586 HydrophobicContact CG2-CE2 4.3Å; V435-F586 HydrophobicContact CG2-CZ 4.16Å; Y449-F586 HydrophobicContact CD1-CD2 4.18Å; Y449-F586 HydrophobicContact CD1-CE2 4.21Å; Y449-F586 HydrophobicContact CD2-CD2 4.12Å; Y449-F586 HydrophobicContact CD2-CE2 4.2Å; Y449-F586 AromaticContact CE1-CD2 3.87Å; Y449-F586 HydrophobicContact CE1-CD2 3.87Å; Y449-F586 HydrophobicContact CE1-CE2 4.36Å; Y449-F586 AromaticContact CE2-CD2 3.83Å; Y449-F586 HydrophobicContact CE2-CD2 3.83Å; Y449-F586 HydrophobicContact CE2-CE2 4.37Å; Y449-F586 HydrophobicContact CG-CD2 4.3Å; Y449-F586 HydrophobicContact CG-CE2 4.12Å; Y449-F586 AromaticContact CZ-CD2 3.69Å; W453-F586 HydrophobicContact CH2-CD2 4.11Å; W453-F586 AromaticContact CH2-CE2 3.7Å; W453-F586 HydrophobicContact CH2-CE2 3.7Å; W453-F586 HydrophobicContact CZ2-CE2 4.44Å; W453-F586 HydrophobicContact CZ3-CE2 4.47Å; L541-F586 HydrophobicContact CD1-CE1 4.46Å; L541-F586 HydrophobicContact CD1-CZ 4.19Å; C576-F586 HydrophobicContact CB-CD1 4.46Å; C576-F586 HydrophobicContact CB-CE1 3.83Å; C576-F586 VanDerWaalsContact SG-CE1 3.59Å; A579-F586 HydrophobicContact CB-CD1 3.98Å; A579-F586 HydrophobicContact CB-CD2 3.94Å; A579-F586 HydrophobicContact CB-CE1 3.97Å; A579-F586 HydrophobicContact CB-CE2 3.94Å; A579-F586 HydrophobicContact CB-CG 3.95Å; A579-F586 HydrophobicContact CB-CZ 3.93Å; H583-F586 HydrophobicContact CB-CB 4.36Å; H583-F586 WeakPolarHBondContact O-CB 3.42Å; H583-F586 PolarHBondContact O-N 2.72Å; P584-F586 VanDerWaalsContact C-N 3.3Å; F586-N588 PolarHBondContact O-N 3.45Å; F586-D589 PolarHBondContact O-N 3.11Å; F586-I590 HydrophobicContact CD1-CD1 3.64Å; F586-I590 HydrophobicContact CD2-CD1 3.95Å; F586-I590 HydrophobicContact CE1-CD1 3.3Å; F586-I590 HydrophobicContact CE2-CD1 3.64Å; F586-I590 HydrophobicContact CG-CD1 3.97Å; F586-I590 HydrophobicContact CZ-CD1 3.32Å; F586-I590 WeakPolarHBondContact O-CD1 3.26Å; F586-I590 VanDerWaalsContact O-CG1 3.27Å; F586-I590 WeakPolarHBondContact O-CG1 3.18Å; F586-I590 PolarHBondContact O-N 2.85Å; F586-I590 VanDerWaalsContact O-N 3.09Å
587F96.7Very high93.2Very high5 Ų534.3 Ų34.32%0.02217%0.173CC..Hα-helixtrans-70.6-30.4178-81.6-64.1000113.3Q245 V246 L250 W268 C576 C580 N585 I590 F591Q245-F587 HydrophobicContact CB-CE2 4.22Å; V246-F587 HydrophobicContact CG2-CD1 4.2Å; V246-F587 HydrophobicContact CG2-CE1 3.71Å; V246-F587 HydrophobicContact CG2-CE2 4.09Å; V246-F587 HydrophobicContact CG2-CZ 3.65Å; L250-F587 HydrophobicContact CB-CB 4.2Å; W268-F587 HydrophobicContact CZ2-CE1 4.35Å; C576-F587 HydrophobicContact CB-CE2 4.43Å; C576-F587 HydrophobicContact CB-CZ 4.25Å; C580-F587 VanDerWaalsContact SG-CD2 3.59Å; C580-F587 WeakPolarHBondContact SG-CE2 3.36Å; N585-F587 PolarHBondContact O-N 3.4Å; F587-I590 HydrophobicContact CD1-CD1 4.27Å; F587-I590 PolarHBondContact O-N 2.93Å; F587-F591 HydrophobicContact CD1-CD2 4.44Å; F587-F591 HydrophobicContact CD1-CE2 4.11Å; F587-F591 WeakPolarHBondContact O-CB 3.21Å; F587-F591 VanDerWaalsContact O-CD2 3.26Å; F587-F591 WeakPolarHBondContact O-CD2 3.24Å; F587-F591 PolarHBondContact O-N 3.43Å
588N96.7Very high93.1Very high7 Ų731.3 Ų31.34%0.03716%0.159CC..Hα-helixtrans-61.4-48.9173.6-62.7-32.4000110.3Y249 L250 T251 H252 N585 F586 I590 F591 S592Y249-N588 PolarHBondContact O-OD1 3.29Å; L250-N588 WeakPolarHBondContact CA-OD1 3.31Å; T251-N588 PolarHBondContact N-OD1 3.5Å; T251-N588 PolarHBondContact OG1-ND2 3.31Å; T251-N588 VanDerWaalsContact OG1-ND2 3.08Å; H252-N588 HydrophobicContact CB-CB 4.06Å; H252-N588 WeakPolarHBondContact CB-OD1 3.47Å; H252-N588 PolarHBondContact N-OD1 3.21Å; N585-N588 HydrophobicContact CB-CB 4.47Å; N585-N588 WeakPolarHBondContact O-CA 3.37Å; N585-N588 WeakPolarHBondContact O-CB 3.45Å; N585-N588 PolarHBondContact O-N 3.26Å; N585-N588 PolarHBondContact OD1-ND2 2.88Å; N585-N588 VanDerWaalsContact OD1-ND2 3.11Å; F586-N588 PolarHBondContact O-N 3.45Å; N588-I590 PolarHBondContact O-N 2.88Å; N588-F591 PolarHBondContact O-N 3.33Å; N588-S592 WeakPolarHBondContact O-CB 3.34Å; N588-S592 PolarHBondContact O-N 3.48Å; N588-S592 PolarHBondContact O-OG 3.25Å; N588-S592 VanDerWaalsContact O-OG 3.09Å
589D96.2Very high93Very high23 Ų2332.6 Ų32.612%0.12317%0.174CC..Hα-helixtrans-61.1-45.1178.7-70.1-2.8000111.7Y449 N585 F586 C593 C603 N604 I605Y449-D589 HydrophobicContact CE2-CB 3.99Å; Y449-D589 PolarHBondContact OH-OD2 3.23Å; N585-D589 PolarHBondContact O-N 2.72Å; F586-D589 PolarHBondContact O-N 3.11Å; D589-C593 WeakPolarHBondContact O-CB 3.27Å; D589-C593 PolarHBondContact O-N 3.37Å; D589-C603 HydrophobicContact CB-CB 4.16Å; D589-N604 WeakPolarHBondContact OD2-CB 3.39Å; D589-N604 PolarHBondContact OD2-N 3.12Å; D589-I605 HydrophobicContact CB-CD1 4.2Å; D589-I605 VanDerWaalsContact O-CD1 3.25Å; D589-I605 WeakPolarHBondContact O-CD1 3.35Å
590I96.1Very high92.6Very high0 Ų033.8 Ų33.80%018%0.182CC..Hα-helixtrans-60.5-51.2178.7-70.8160.2000110.9W268 L437 L541 F586 F587 N588 C593 L594W268-I590 HydrophobicContact CH2-CG2 3.97Å; W268-I590 HydrophobicContact CZ3-CG2 4.48Å; L437-I590 HydrophobicContact CD1-CG1 4.22Å; L437-I590 HydrophobicContact CD1-CG2 4.45Å; L437-I590 HydrophobicContact CD2-CG1 4.12Å; L437-I590 HydrophobicContact CD2-CG2 4.06Å; L541-I590 HydrophobicContact CD1-CD1 3.26Å; L541-I590 HydrophobicContact CD1-CG1 4.03Å; L541-I590 HydrophobicContact CD1-CG2 4.09Å; F586-I590 HydrophobicContact CD1-CD1 3.64Å; F586-I590 HydrophobicContact CD2-CD1 3.95Å; F586-I590 HydrophobicContact CE1-CD1 3.3Å; F586-I590 HydrophobicContact CE2-CD1 3.64Å; F586-I590 HydrophobicContact CG-CD1 3.97Å; F586-I590 HydrophobicContact CZ-CD1 3.32Å; F586-I590 WeakPolarHBondContact O-CD1 3.26Å; F586-I590 VanDerWaalsContact O-CG1 3.27Å; F586-I590 WeakPolarHBondContact O-CG1 3.18Å; F586-I590 PolarHBondContact O-N 2.85Å; F586-I590 VanDerWaalsContact O-N 3.09Å; F587-I590 HydrophobicContact CD1-CD1 4.27Å; F587-I590 PolarHBondContact O-N 2.93Å; N588-I590 PolarHBondContact O-N 2.88Å; I590-C593 PolarHBondContact O-N 3.46Å; I590-L594 HydrophobicContact CG2-CD1 3.73Å; I590-L594 HydrophobicContact CG2-CG 4.45Å; I590-L594 WeakPolarHBondContact O-CB 3.32Å; I590-L594 WeakPolarHBondContact O-CG 3.48Å; I590-L594 PolarHBondContact O-N 3.06Å
591F96.9Very high91.9Very high0 Ų040.9 Ų40.90%022%0.219CC..Hα-helixtrans-67.7-39.9-177.2-87-116.6000111.4V239 V246 L250 F255 I266 W268 F587 N588 C593 L594 F595V239-F591 HydrophobicContact CG1-CE1 3.94Å; V239-F591 HydrophobicContact CG1-CZ 4.4Å; V239-F591 HydrophobicContact CG2-CE1 4.14Å; V246-F591 HydrophobicContact CG1-CE2 4.33Å; V246-F591 HydrophobicContact CG1-CZ 4.09Å; L250-F591 HydrophobicContact CD1-CB 3.7Å; L250-F591 HydrophobicContact CD1-CD1 3.92Å; L250-F591 HydrophobicContact CD1-CD2 3.95Å; L250-F591 HydrophobicContact CD1-CG 3.58Å; L250-F591 HydrophobicContact CD2-CD1 3.54Å; L250-F591 HydrophobicContact CD2-CD2 4.31Å; L250-F591 HydrophobicContact CD2-CE1 3.44Å; L250-F591 VanDerWaalsContact CD2-CE1 3.44Å; L250-F591 HydrophobicContact CD2-CE2 4.22Å; L250-F591 HydrophobicContact CD2-CG 4Å; L250-F591 HydrophobicContact CD2-CZ 3.79Å; L250-F591 HydrophobicContact CG-CD1 4.4Å; L250-F591 HydrophobicContact CG-CG 4.44Å; F255-F591 AromaticContact CD1-CD1 3.97Å; F255-F591 HydrophobicContact CD1-CD1 3.97Å; F255-F591 HydrophobicContact CD2-CB 4.44Å; F255-F591 HydrophobicContact CE1-CB 4.08Å; F255-F591 AromaticContact CE1-CD1 3.9Å; F255-F591 HydrophobicContact CE1-CD1 3.9Å; F255-F591 HydrophobicContact CE2-CB 3.8Å; F255-F591 HydrophobicContact CG-CD1 4.44Å; F255-F591 HydrophobicContact CZ-CB 3.59Å; F255-F591 HydrophobicContact CZ-CD1 4.29Å; F255-F591 HydrophobicContact CZ-CG 4.47Å; I266-F591 HydrophobicContact CD1-CD1 4.32Å; I266-F591 HydrophobicContact CD1-CE1 4.45Å; I266-F591 HydrophobicContact CG2-CE1 4.18Å; W268-F591 HydrophobicContact CB-CZ 4.17Å; W268-F591 AromaticContact CD2-CE2 3.86Å; W268-F591 HydrophobicContact CD2-CE2 3.86Å; W268-F591 AromaticContact CD2-CZ 3.66Å; W268-F591 HydrophobicContact CD2-CZ 3.66Å; W268-F591 HydrophobicContact CE3-CE1 4.27Å; W268-F591 AromaticContact CE3-CE2 3.6Å; W268-F591 HydrophobicContact CE3-CE2 3.6Å; W268-F591 AromaticContact CE3-CZ 3.42Å; W268-F591 HydrophobicContact CE3-CZ 3.42Å; W268-F591 VanDerWaalsContact CE3-CZ 3.42Å; W268-F591 AromaticContact CG-CZ 3.99Å; W268-F591 HydrophobicContact CG-CZ 3.99Å; W268-F591 HydrophobicContact CH2-CE2 4.23Å; W268-F591 HydrophobicContact CZ2-CE2 4.46Å; W268-F591 HydrophobicContact CZ3-CD2 4.44Å; W268-F591 AromaticContact CZ3-CE2 3.81Å; W268-F591 HydrophobicContact CZ3-CE2 3.81Å; W268-F591 HydrophobicContact CZ3-CZ 4.08Å; F587-F591 HydrophobicContact CD1-CD2 4.44Å; F587-F591 HydrophobicContact CD1-CE2 4.11Å; F587-F591 WeakPolarHBondContact O-CB 3.21Å; F587-F591 VanDerWaalsContact O-CD2 3.26Å; F587-F591 WeakPolarHBondContact O-CD2 3.24Å; F587-F591 PolarHBondContact O-N 3.43Å; N588-F591 PolarHBondContact O-N 3.33Å; F591-C593 VanDerWaalsContact C-N 3.33Å; F591-C593 PolarHBondContact O-N 2.97Å; F591-L594 PolarHBondContact O-N 2.85Å; F591-F595 HydrophobicContact CB-CD2 4.04Å; F591-F595 HydrophobicContact CB-CE2 4.45Å; F591-F595 AromaticContact CD1-CD2 3.71Å; F591-F595 HydrophobicContact CD1-CD2 3.71Å; F591-F595 AromaticContact CD1-CE2 3.69Å; F591-F595 HydrophobicContact CD1-CE2 3.69Å; F591-F595 HydrophobicContact CD2-CE2 4.4Å; F591-F595 HydrophobicContact CE1-CD2 4.37Å; F591-F595 AromaticContact CE1-CE2 3.95Å; F591-F595 HydrophobicContact CE1-CE2 3.95Å; F591-F595 AromaticContact CG-CD2 3.96Å; F591-F595 HydrophobicContact CG-CD2 3.96Å; F591-F595 AromaticContact CG-CE2 3.94Å; F591-F595 HydrophobicContact CG-CE2 3.94Å; F591-F595 HydrophobicContact CZ-CE2 4.42Å; F591-F595 WeakPolarHBondContact O-CB 3.29Å; F591-F595 WeakPolarHBondContact O-CD2 3.2Å; F591-F595 PolarHBondContact O-N 3.11Å
592S95.7Very high91.7Very high2 Ų239.1 Ų39.11%0.01422%0.216CC..Hα-helixtrans-59.2-43173.8-780000112.5N588 L596 D597 Q598N588-S592 WeakPolarHBondContact O-CB 3.34Å; N588-S592 PolarHBondContact O-N 3.48Å; N588-S592 PolarHBondContact O-OG 3.25Å; N588-S592 VanDerWaalsContact O-OG 3.09Å; S592-L596 CarbonylContact O-C 3.6Å; S592-L596 WeakPolarHBondContact O-CA 3.5Å; S592-L596 WeakPolarHBondContact O-CB 3.27Å; S592-L596 PolarHBondContact O-N 3.3Å; S592-L596 VanDerWaalsContact O-N 3.15Å; S592-D597 PolarHBondContact O-N 2.94Å; S592-Q598 PolarHBondContact O-N 3.03Å; S592-Q598 VanDerWaalsContact O-N 3.17Å; S592-Q598 PolarHBondContact OG-OE1 2.98Å; S592-Q598 VanDerWaalsContact OG-OE1 3.13Å
593C94.8Very high91.5Very high2 Ų235.2 Ų35.21%0.01420%0.201CC..Hα-helixtrans-69.3-44.1177.5179.70000112.6D589 I590 F591 I605D589-C593 WeakPolarHBondContact O-CB 3.27Å; D589-C593 PolarHBondContact O-N 3.37Å; I590-C593 PolarHBondContact O-N 3.46Å; F591-C593 VanDerWaalsContact C-N 3.33Å; F591-C593 PolarHBondContact O-N 2.97Å; C593-I605 HydrophobicContact CB-CD1 3.33Å
594L95.2Very high91.5Very high1 Ų135.2 Ų35.21%0.00520%0.203CC..Hα-helixtrans-78-33.2-173.6-71.2177.7000114.1W268 L437 R439 R539 I590 F591W268-L594 HydrophobicContact CH2-CD1 4.33Å; W268-L594 HydrophobicContact CZ3-CD1 4.14Å; L437-L594 HydrophobicContact CB-CD2 4.12Å; R439-L594 HydrophobicContact CB-CD2 4.14Å; R539-L594 HydrophobicContact CB-CB 4.33Å; R539-L594 HydrophobicContact CB-CD1 4.23Å; R539-L594 HydrophobicContact CB-CD2 4.27Å; R539-L594 HydrophobicContact CG-CB 4.37Å; R539-L594 PolarHBondContact NE-O 3.09Å; I590-L594 HydrophobicContact CG2-CD1 3.73Å; I590-L594 HydrophobicContact CG2-CG 4.45Å; I590-L594 WeakPolarHBondContact O-CB 3.32Å; I590-L594 WeakPolarHBondContact O-CG 3.48Å; I590-L594 PolarHBondContact O-N 3.06Å; F591-L594 PolarHBondContact O-N 2.85Å
595F95.5Very high91.6Very high6 Ų631.6 Ų31.63%0.02618%0.179CC..Hα-helixtrans-121.6-26.1-168.3-51.5-69.1000114.4F255 I266 W268 Y287 R539 F591F255-F595 HydrophobicContact CE1-CB 4.39Å; I266-F595 HydrophobicContact CD1-CB 3.93Å; I266-F595 HydrophobicContact CD1-CD1 3.83Å; I266-F595 HydrophobicContact CD1-CD2 3.63Å; I266-F595 HydrophobicContact CD1-CE1 4.23Å; I266-F595 HydrophobicContact CD1-CE2 4.06Å; I266-F595 HydrophobicContact CD1-CG 3.51Å; I266-F595 HydrophobicContact CD1-CZ 4.34Å; I266-F595 HydrophobicContact CG1-CD1 4.07Å; I266-F595 HydrophobicContact CG1-CE1 4.2Å; I266-F595 HydrophobicContact CG1-CG 4.28Å; I266-F595 HydrophobicContact CG2-CE1 3.98Å; I266-F595 HydrophobicContact CG2-CE2 4.03Å; I266-F595 HydrophobicContact CG2-CZ 3.65Å; W268-F595 HydrophobicContact CE3-CE2 4.26Å; W268-F595 HydrophobicContact CE3-CZ 4.21Å; W268-F595 HydrophobicContact CZ3-CE2 4.08Å; W268-F595 HydrophobicContact CZ3-CZ 4.12Å; Y287-F595 HydrophobicContact CD1-CE1 4.49Å; Y287-F595 AromaticContact CD2-CD1 3.94Å; Y287-F595 HydrophobicContact CD2-CD1 3.94Å; Y287-F595 HydrophobicContact CD2-CE1 4.38Å; Y287-F595 HydrophobicContact CE2-CD1 4.42Å; Y287-F595 AromaticContact CG-CD1 3.99Å; Y287-F595 HydrophobicContact CG-CD1 3.99Å; Y287-F595 AromaticContact CG-CE1 4Å; Y287-F595 HydrophobicContact CG-CE1 4Å; R539-F595 HydrophobicContact CB-CE1 3.8Å; R539-F595 HydrophobicContact CB-CZ 4.01Å; R539-F595 HydrophobicContact CG-CD1 4.08Å; R539-F595 HydrophobicContact CG-CE1 3.53Å; R539-F595 HydrophobicContact CG-CZ 4.23Å; F591-F595 HydrophobicContact CB-CD2 4.04Å; F591-F595 HydrophobicContact CB-CE2 4.45Å; F591-F595 AromaticContact CD1-CD2 3.71Å; F591-F595 HydrophobicContact CD1-CD2 3.71Å; F591-F595 AromaticContact CD1-CE2 3.69Å; F591-F595 HydrophobicContact CD1-CE2 3.69Å; F591-F595 HydrophobicContact CD2-CE2 4.4Å; F591-F595 HydrophobicContact CE1-CD2 4.37Å; F591-F595 AromaticContact CE1-CE2 3.95Å; F591-F595 HydrophobicContact CE1-CE2 3.95Å; F591-F595 AromaticContact CG-CD2 3.96Å; F591-F595 HydrophobicContact CG-CD2 3.96Å; F591-F595 AromaticContact CG-CE2 3.94Å; F591-F595 HydrophobicContact CG-CE2 3.94Å; F591-F595 HydrophobicContact CZ-CE2 4.42Å; F591-F595 WeakPolarHBondContact O-CB 3.29Å; F591-F595 WeakPolarHBondContact O-CD2 3.2Å; F591-F595 PolarHBondContact O-N 3.11Å
596L93.5Very high91.6Very high34 Ų3430.6 Ų30.618%0.17817%0.171CC..SBendtrans-99.6-4.3176.6-54.8179.2000113.1F237 Q254 F255 S592 Q598F237-L596 HydrophobicContact CD2-CD2 3.83Å; F237-L596 HydrophobicContact CE2-CD2 3.7Å; Q254-L596 HydrophobicContact CB-CD1 4.23Å; F255-L596 HydrophobicContact CE2-CD1 3.84Å; F255-L596 HydrophobicContact CE2-CG 4.35Å; F255-L596 HydrophobicContact CZ-CD1 3.72Å; F255-L596 HydrophobicContact CZ-CD2 4.13Å; F255-L596 HydrophobicContact CZ-CG 3.71Å; S592-L596 CarbonylContact O-C 3.6Å; S592-L596 WeakPolarHBondContact O-CA 3.5Å; S592-L596 WeakPolarHBondContact O-CB 3.27Å; S592-L596 PolarHBondContact O-N 3.3Å; S592-L596 VanDerWaalsContact O-N 3.15Å; L596-Q598 HydrophobicContact CB-CG 4Å; L596-Q598 PolarHBondContact O-N 2.77Å; L596-Q598 VanDerWaalsContact O-N 3.16Å
597D87Confident91.6Very high58 Ų5835.5 Ų35.531%0.3119%0.193SC..  trans50.333.9-173.6-65.5-43.1000112.9K233 R439 S592K233-D597 WeakPolarHBondContact CE-OD2 3.33Å; K233-D597 IonicContact NZ-OD2 2.87Å; K233-D597 PolarHBondContact NZ-OD2 3.1Å; R439-D597 IonicContact CZ-OD1 3.43Å; R439-D597 VanDerWaalsContact CZ-OD1 3.23Å; R439-D597 IonicContact NE-OD1 3.1Å; R439-D597 PolarHBondContact NE-OD1 3.14Å; R439-D597 IonicContact NH2-OD1 2.81Å; R439-D597 PolarHBondContact NH2-OD1 2.84Å; R439-D597 IonicContact NH2-OD2 3.7Å; R439-D597 PolarHBondContact NH2-OD2 2.99Å; S592-D597 PolarHBondContact O-N 2.94Å
598Q87.5Confident91.5Very high64 Ų6435.8 Ų35.830%0.29919%0.194SC..  trans-64.8149.6175.9-76.6-172.70.800110.9S592 L596S592-Q598 PolarHBondContact O-N 3.03Å; S592-Q598 VanDerWaalsContact O-N 3.17Å; S592-Q598 PolarHBondContact OG-OE1 2.98Å; S592-Q598 VanDerWaalsContact OG-OE1 3.13Å; L596-Q598 HydrophobicContact CB-CG 4Å; L596-Q598 PolarHBondContact O-N 2.77Å; L596-Q598 VanDerWaalsContact O-N 3.16Å
599S83.2Confident90.9Very high65 Ų6543 Ų4346%0.45524%0.239SC..  trans-67.7148.8-176.473.20000111.8D601 S602 C603S599-D601 PolarHBondContact O-N 3.11Å; S599-S602 PolarHBondContact N-OG 2.96Å; S599-S602 PolarHBondContact O-N 2.95Å; S599-S602 PolarHBondContact O-OG 3.02Å; S599-S602 PolarHBondContact OG-N 2.94Å; S599-S602 PolarHBondContact OG-OG 2.96Å; S599-C603 PolarHBondContact O-N 3.2Å
600C82Confident90.7Very high31 Ų3144 Ų4421%0.20925%0.245CC..THydrogen-bonded Turntrans-60-14174.2-60.80000114.1Y447 K450 C603 I605Y447-C600 VanDerWaalsContact CE1-SG 3.6Å; K450-C600 PolarHBondContact NZ-O 3.47Å; C600-C603 CarbonylContact C-O 3.48Å; C600-I605 VanDerWaalsContact CB-O 3.27Å; C600-I605 WeakPolarHBondContact CB-O 3.36Å; C600-I605 VanDerWaalsContact O-O 3.04Å
601D79Confident90.4Very high149 Ų14946.3 Ų46.380%0.79726%0.258SS*.THydrogen-bonded Turntrans-82.8-31.8175.6-59.8-35.5000111.6S599S599-D601 PolarHBondContact O-N 3.11Å
602S83.4Confident90Very high69 Ų6948.9 Ų48.948%0.48327%0.272SS..THydrogen-bonded Turntrans-81.3-29.2177.663.60000113.2S599S599-S602 PolarHBondContact N-OG 2.96Å; S599-S602 PolarHBondContact O-N 2.95Å; S599-S602 PolarHBondContact O-OG 3.02Å; S599-S602 PolarHBondContact OG-N 2.94Å; S599-S602 PolarHBondContact OG-OG 2.96Å
603C86.1Confident89.7Confident3 Ų351.6 Ų51.62%0.0229%0.287CS..THydrogen-bonded Turntrans-100.6153.8175.6-58.30000110K450 D589 S599 C600 I605K450-C603 PolarHBondContact NZ-O 2.82Å; D589-C603 HydrophobicContact CB-CB 4.16Å; S599-C603 PolarHBondContact O-N 3.2Å; C600-C603 CarbonylContact C-O 3.48Å; C603-I605 HydrophobicContact CB-CB 4.15Å; C603-I605 HydrophobicContact CB-CD1 3.9Å; C603-I605 HydrophobicContact CB-CG1 4.12Å; C603-I605 PolarHBondContact O-N 3Å
604N92Very high89.4Confident47 Ų4754.8 Ų54.825%0.25130%0.304SS..THydrogen-bonded Turntrans-76.848.7174.1-163.431.8000112.6Y449 K450 V451 D589Y449-N604 WeakPolarHBondContact CD2-O 3.47Å; Y449-N604 HydrophobicContact CE1-CB 4.49Å; Y449-N604 WeakPolarHBondContact CE1-ND2 3.43Å; Y449-N604 HydrophobicContact CE2-CB 3.9Å; Y449-N604 PolarHBondContact OH-ND2 3.35Å; K450-N604 WeakPolarHBondContact CB-OD1 3.45Å; K450-N604 WeakPolarHBondContact CD-OD1 3.37Å; K450-N604 PolarHBondContact N-O 3.25Å; V451-N604 WeakPolarHBondContact CG2-ND2 3.43Å; D589-N604 WeakPolarHBondContact OD2-CB 3.39Å; D589-N604 PolarHBondContact OD2-N 3.12Å
605I94.8Very high89Confident0 Ų058.3 Ų58.30%032%0.324CS..EExtended strand (participates in β ladder)trans-129.2140.8-167.9-68.2170.3000110.1L437 Y447 T448 Y449 K450 D589 C593 C600 C603L437-I605 HydrophobicContact CD1-CD1 3.63Å; L437-I605 HydrophobicContact CD1-CG1 4.29Å; L437-I605 HydrophobicContact CD1-CG2 4.45Å; Y447-I605 VanDerWaalsContact CB-CG2 3.44Å; Y447-I605 HydrophobicContact CD1-CG2 3.92Å; Y447-I605 HydrophobicContact CG-CG2 3.94Å; T448-I605 CarbonylContact O-C 3.5Å; T448-I605 WeakPolarHBondContact O-CA 3.42Å; Y449-I605 HydrophobicContact CD2-CG1 3.85Å; Y449-I605 HydrophobicContact CE2-CG1 4.36Å; K450-I605 WeakPolarHBondContact CE-O 3.4Å; D589-I605 HydrophobicContact CB-CD1 4.2Å; D589-I605 VanDerWaalsContact O-CD1 3.25Å; D589-I605 WeakPolarHBondContact O-CD1 3.35Å; C593-I605 HydrophobicContact CB-CD1 3.33Å; C600-I605 VanDerWaalsContact CB-O 3.27Å; C600-I605 WeakPolarHBondContact CB-O 3.36Å; C600-I605 VanDerWaalsContact O-O 3.04Å; C603-I605 HydrophobicContact CB-CB 4.15Å; C603-I605 HydrophobicContact CB-CD1 3.9Å; C603-I605 HydrophobicContact CB-CG1 4.12Å; C603-I605 PolarHBondContact O-N 3Å
606H94.8Very high88.5Confident77 Ų7762.1 Ų62.136%0.35635%0.345SS..EExtended strand (participates in β ladder)trans-114.2133.7176.3175.970.7000109.9Y447 T448 K450 H513Y447-H606 CarbonylContact C-O 3.56Å; Y447-H606 WeakPolarHBondContact CA-O 3.3Å; Y447-H606 WeakPolarHBondContact CB-O 3.47Å; T448-H606 HydrophobicContact CG2-CB 3.91Å; T448-H606 PolarHBondContact N-O 2.92Å; T448-H606 PolarHBondContact O-N 3.18Å; K450-H606 HydrophobicContact CG-CB 4.14Å; H513-H606 AromaticContact CE1-CD2 3.68Å; H513-H606 AromaticContact CE1-NE2 3.95Å; H513-H606 AromaticContact ND1-CD2 3.9Å; H513-H606 AromaticContact ND1-NE2 3.81Å
607K95.4Very high88.1Confident103 Ų10364.2 Ų64.245%0.44836%0.358SS..EExtended strand (participates in β ladder)trans-78.2124.8174.6-172.3177-179.4-177.70109.7Y447Y447-K607 HydrophobicContact CD1-CB 3.7Å; Y447-K607 HydrophobicContact CD1-CG 3.93Å; Y447-K607 HydrophobicContact CE1-CB 3.78Å; Y447-K607 HydrophobicContact CE1-CD 4.1Å; Y447-K607 HydrophobicContact CE1-CG 3.74Å
608L95.8Very high88.2Confident10 Ų1064.8 Ų64.85%0.05236%0.362CS..  trans-78.9139.7174.6-66.4172000109.3V436 L446 T448 H513 L516 V517V436-L608 HydrophobicContact CG1-CD1 4.26Å; L446-L608 HydrophobicContact CB-CB 3.96Å; L446-L608 HydrophobicContact CB-CD1 4.04Å; L446-L608 PolarHBondContact O-N 3.23Å; T448-L608 HydrophobicContact CG2-CD2 3.75Å; T448-L608 HydrophobicContact CG2-CG 4.1Å; H513-L608 HydrophobicContact CB-CD2 3.7Å; L516-L608 HydrophobicContact CB-CD1 3.96Å; L516-L608 HydrophobicContact CD1-CD1 4.23Å; V517-L608 HydrophobicContact CG2-CB 3.74Å
609T84.9Confident88.3Confident159 Ų15964.8 Ų64.898%0.97537%0.368SS*.  trans-131.40-176.358.10000112

Retrieved 609 of 609 residues in 791.2 ms (Link to these results)

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