A0A3Q0KG57_SCHMA Loading...

Transmembrane protein 222

AlphaFold DB , UniProt , Accession A0A3Q0KG57, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 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
1M72.7Confident84.8Confident201 Ų201126.8 Ų126.899%0.9964%0.638SS**  0-37.80-77.1-156.6-73.700112.3A3 L4 N5M1-A3 PolarHBondContact O-N 3.38Å; M1-L4 PolarHBondContact O-N 3.09Å; M1-N5 PolarHBondContact O-N 3.34Å
2E83.7Confident84.3Confident168 Ų168121.5 Ų121.579%0.78563%0.629SS**Hα-helixtrans-55.5-45.8-177.9-69.4169.5157.600115L4 N5 L6E2-L4 VanDerWaalsContact C-N 3.25Å; E2-L4 PolarHBondContact O-N 3.26Å; E2-N5 PolarHBondContact O-N 3.22Å; E2-N5 VanDerWaalsContact O-N 3.09Å; E2-L6 PolarHBondContact O-N 3.43Å; E2-L6 VanDerWaalsContact O-N 3.11Å
3A79.9Confident83.9Confident74 Ų74121.7 Ų121.761%0.61263%0.625SS**Hα-helixtrans-61.2-31.3-179.200000113.7M1 V7M1-A3 PolarHBondContact O-N 3.38Å; A3-V7 WeakPolarHBondContact O-CG2 3.43Å; A3-V7 PolarHBondContact O-N 3.11Å
4L84.9Confident83.3Confident124 Ų124124.6 Ų124.665%0.64963%0.631SS**Hα-helixtrans-74.5-31.8177-82.2164.7000112.4M1 E2 R8M1-L4 PolarHBondContact O-N 3.09Å; E2-L4 VanDerWaalsContact C-N 3.25Å; E2-L4 PolarHBondContact O-N 3.26Å; L4-R8 PolarHBondContact O-N 3.23Å
5N90.3Very high82.5Confident83 Ų83121.7 Ų121.744%0.44463%0.626SS.*Hα-helixtrans-70.3-44.4176.1-69.5-12.3000110.5M1 E2 V7 R8 D9M1-N5 PolarHBondContact O-N 3.34Å; E2-N5 PolarHBondContact O-N 3.22Å; E2-N5 VanDerWaalsContact O-N 3.09Å; N5-V7 VanDerWaalsContact C-N 3.33Å; N5-V7 PolarHBondContact O-N 3.3Å; N5-R8 WeakPolarHBondContact O-CB 3.36Å; N5-R8 PolarHBondContact O-N 3.34Å; N5-D9 VanDerWaalsContact O-CG 3.29Å; N5-D9 PolarHBondContact O-N 3.45Å
6L86.8Confident81.5Confident111 Ų111118.4 Ų118.458%0.58162%0.617SS**Hα-helixtrans-54.1-45.3174.7-102.4157.1000113.1E2 R8 D9 M10E2-L6 PolarHBondContact O-N 3.43Å; E2-L6 VanDerWaalsContact O-N 3.11Å; L6-R8 VanDerWaalsContact C-N 3.32Å; L6-R8 PolarHBondContact O-N 2.93Å; L6-D9 PolarHBondContact O-N 3.02Å; L6-M10 WeakPolarHBondContact O-CG 3.34Å; L6-M10 PolarHBondContact O-N 3.25Å
7V87Confident80.4Confident76 Ų76118.4 Ų118.446%0.46162%0.617SS.*Hα-helixtrans-67.7-32.1178.3174.10000112.1A3 N5 K11A3-V7 WeakPolarHBondContact O-CG2 3.43Å; A3-V7 PolarHBondContact O-N 3.11Å; N5-V7 VanDerWaalsContact C-N 3.33Å; N5-V7 PolarHBondContact O-N 3.3Å; V7-K11 WeakPolarHBondContact O-CG 3.42Å; V7-K11 PolarHBondContact O-N 3.02Å
8R88.3Confident79.5Confident177 Ų177119.9 Ų119.967%0.66863%0.626SS**Hα-helixtrans-69.1-43173.9-85-177.2176.6143.3-2.3111.5L4 N5 L6 K11 A12L4-R8 PolarHBondContact O-N 3.23Å; N5-R8 WeakPolarHBondContact O-CB 3.36Å; N5-R8 PolarHBondContact O-N 3.34Å; L6-R8 VanDerWaalsContact C-N 3.32Å; L6-R8 PolarHBondContact O-N 2.93Å; R8-K11 PolarHBondContact O-N 3.08Å; R8-A12 PolarHBondContact O-N 3.18Å
9D88Confident78.2Confident105 Ų105117.8 Ų117.856%0.56162%0.623SS**Hα-helixtrans-65.1-43-179.1-62.8-22.3000110.8N5 L6 K11 A12 E13N5-D9 VanDerWaalsContact O-CG 3.29Å; N5-D9 PolarHBondContact O-N 3.45Å; L6-D9 PolarHBondContact O-N 3.02Å; D9-K11 VanDerWaalsContact C-N 3.29Å; D9-K11 PolarHBondContact O-N 2.95Å; D9-A12 PolarHBondContact O-N 3.32Å; D9-A12 VanDerWaalsContact O-N 3.16Å; D9-E13 PolarHBondContact O-N 3.38Å
10M86.8Confident76.5Confident125 Ų125116.3 Ų116.362%0.61662%0.623SS**Hα-helixtrans-61.7-34.3174-69.918075.600113.1L6 K14L6-M10 WeakPolarHBondContact O-CG 3.34Å; L6-M10 PolarHBondContact O-N 3.25Å; M10-K14 WeakPolarHBondContact O-CB 3.46Å; M10-K14 PolarHBondContact O-N 2.89Å
11K84.3Confident74.9Confident151 Ų151116.5 Ų116.566%0.65763%0.63SS**Hα-helixtrans-72.4-36.8175.6-77.7178.8178.2-1760112V7 R8 D9 S15V7-K11 WeakPolarHBondContact O-CG 3.42Å; V7-K11 PolarHBondContact O-N 3.02Å; R8-K11 PolarHBondContact O-N 3.08Å; D9-K11 VanDerWaalsContact C-N 3.29Å; D9-K11 PolarHBondContact O-N 2.95Å; K11-S15 PolarHBondContact O-N 3.16Å; K11-S15 VanDerWaalsContact O-N 3.08Å
12A79Confident73.4Confident63 Ų63114.4 Ų114.452%0.52162%0.618SS.*Hα-helixtrans-66.2-42.1175.500000111.3R8 D9 S15 S16R8-A12 PolarHBondContact O-N 3.18Å; D9-A12 PolarHBondContact O-N 3.32Å; D9-A12 VanDerWaalsContact O-N 3.16Å; A12-S15 WeakPolarHBondContact O-CB 3.43Å; A12-S15 PolarHBondContact O-N 3.06Å; A12-S16 PolarHBondContact O-N 3.14Å
13E79.1Confident71.4Confident124 Ų124114.9 Ų114.958%0.57962%0.618SS**Hα-helixtrans-66.7-39.6176.1-169.3176.7-168.200112.3D9 S15 S16 L17D9-E13 PolarHBondContact O-N 3.38Å; E13-S15 VanDerWaalsContact C-N 3.28Å; E13-S15 PolarHBondContact O-N 2.93Å; E13-S16 PolarHBondContact O-N 3.25Å; E13-S16 PolarHBondContact O-OG 3.05Å; E13-L17 HydrophobicContact CG-CD1 4.36Å; E13-L17 WeakPolarHBondContact O-CG 3.45Å; E13-L17 PolarHBondContact O-N 3.06Å
14K75.6Confident69.4Low162 Ų162118.5 Ų118.570%0.70462%0.622SS**Hα-helixtrans-62.7-36.7173.3-168175.3-178.2-179.60112M10 D18M10-K14 WeakPolarHBondContact O-CB 3.46Å; M10-K14 PolarHBondContact O-N 2.89Å; K14-D18 PolarHBondContact O-N 3.24Å; K14-D18 VanDerWaalsContact O-N 3.14Å
15S70.4Confident67.2Low81 Ų81117 Ų11757%0.56662%0.622SS**Hα-helixtrans-68.7-33.4176.4-173.90000112.8K11 A12 E13 S19K11-S15 PolarHBondContact O-N 3.16Å; K11-S15 VanDerWaalsContact O-N 3.08Å; A12-S15 WeakPolarHBondContact O-CB 3.43Å; A12-S15 PolarHBondContact O-N 3.06Å; E13-S15 VanDerWaalsContact C-N 3.28Å; E13-S15 PolarHBondContact O-N 2.93Å; S15-S19 PolarHBondContact O-N 2.99Å
16S67.1Low64.9Low69 Ų69116.8 Ų116.848%0.48363%0.625SS.*Hα-helixtrans-76.4-29.317763.50000112.8A12 E13 S19A12-S16 PolarHBondContact O-N 3.14Å; E13-S16 PolarHBondContact O-N 3.25Å; E13-S16 PolarHBondContact O-OG 3.05Å; S16-S19 WeakPolarHBondContact CA-OG 3.39Å; S16-S19 PolarHBondContact O-OG 2.97Å
17L62.4Low62.7Low118 Ų118114.3 Ų114.362%0.61863%0.626SS**Hα-helixtrans-70.8-36172.4-74.6161.8000112.4E13 S19 S20E13-L17 HydrophobicContact CG-CD1 4.36Å; E13-L17 WeakPolarHBondContact O-CG 3.45Å; E13-L17 PolarHBondContact O-N 3.06Å; L17-S19 VanDerWaalsContact C-N 3.3Å; L17-S20 PolarHBondContact O-N 3.32Å; L17-S20 PolarHBondContact O-OG 2.8Å
18D65Low60.5Low146 Ų146119.6 Ų119.678%0.78165%0.645SS**Hα-helixtrans-73.4-24.3176.7-151.422.6000111.9K14 S20K14-D18 PolarHBondContact O-N 3.24Å; K14-D18 VanDerWaalsContact O-N 3.14Å; D18-S20 PolarHBondContact O-N 3.25Å
19S55.4Low58.4Low81 Ų81119.9 Ų119.957%0.56665%0.647SS**  trans-78.451.5162.164.90000111.6S15 S16 L17S15-S19 PolarHBondContact O-N 2.99Å; S16-S19 WeakPolarHBondContact CA-OG 3.39Å; S16-S19 PolarHBondContact O-OG 2.97Å; L17-S19 VanDerWaalsContact C-N 3.3Å
20S43Very low56.4Low87 Ų87119 Ų11961%0.60864%0.643SS**  trans-63.7130159.5-68.50000106.9L17 D18 E22L17-S20 PolarHBondContact O-N 3.32Å; L17-S20 PolarHBondContact O-OG 2.8Å; D18-S20 PolarHBondContact O-N 3.25Å; S20-E22 PolarHBondContact O-N 3.13Å; S20-E22 VanDerWaalsContact O-N 3.13Å
21P43.5Very low54.6Low120 Ų120116.6 Ų116.678%0.77963%0.631SS**  trans-55128-179.421.2-30.4000108F23P21-F23 PolarHBondContact O-N 2.88Å
22E40.4Very low53.1Low158 Ų158114.2 Ų114.274%0.73862%0.622SS**  trans-46.2113.2170.9-73.6-177.8165.100106.8S20 H24S20-E22 PolarHBondContact O-N 3.13Å; S20-E22 VanDerWaalsContact O-N 3.13Å; E22-H24 PolarHBondContact O-CD2 2.84Å; E22-H24 PolarHBondContact O-N 2.89Å
23F41.4Very low52.2Low177 Ų177115.3 Ų115.378%0.77663%0.626SS**  trans-65.387.3171.6179.5-97.7000105.4P21 S25P21-F23 PolarHBondContact O-N 2.88Å; F23-S25 VanDerWaalsContact C-N 3.27Å; F23-S25 PolarHBondContact O-N 3.44Å
24H38Very low51.8Low151 Ų151117.6 Ų117.670%0.69963%0.629SS**  trans-56.8102.3165.9-79.8-83.1000105.2E22 P26E22-H24 PolarHBondContact O-CD2 2.84Å; E22-H24 PolarHBondContact O-N 2.89Å; H24-P26 VanDerWaalsContact O-CD 3.22Å; H24-P26 WeakPolarHBondContact O-CD 3.22Å
25S38.5Very low52Low93 Ų93111.3 Ų111.365%0.6560%0.603SS**  trans-44.9114.1168.6177.20000106F23 G27F23-S25 VanDerWaalsContact C-N 3.27Å; F23-S25 PolarHBondContact O-N 3.44Å; S25-G27 PolarHBondContact O-N 2.71Å
26P42.5Very low52.8Low78 Ų78113.4 Ų113.451%0.50660%0.604SS.*  trans-54.4116.2-179.2-22.431.3000106.2H24 H28 Y29H24-P26 VanDerWaalsContact O-CD 3.22Å; H24-P26 WeakPolarHBondContact O-CD 3.22Å; P26-H28 PolarHBondContact O-N 3.16Å; P26-H28 VanDerWaalsContact O-N 3.16Å; P26-Y29 HydrophobicContact CB-CD2 3.97Å; P26-Y29 HydrophobicContact CB-CE2 3.78Å
27G41.6Very low54Low58 Ų58113.5 Ų113.560%0.59860%0.604SS**  trans-47.1127.5-171.100000108.5S25 Y29S25-G27 PolarHBondContact O-N 2.71Å; G27-Y29 WeakPolarHBondContact O-CD2 3.11Å; G27-Y29 PolarHBondContact O-N 2.97Å
28H40.9Very low55.6Low188 Ų188108.9 Ų108.987%0.8758%0.581SS**  trans-28.779.3-173-161.5-125.4000112.9P26 N30P26-H28 PolarHBondContact O-N 3.16Å; P26-H28 VanDerWaalsContact O-N 3.16Å; H28-N30 PolarHBondContact O-N 2.6Å
29Y42.6Very low57Low182 Ų182104.3 Ų104.371%0.71456%0.559SS**  trans-66.5109.8175.3-77.9-85.4000102.6P26 G27 M31P26-Y29 HydrophobicContact CB-CD2 3.97Å; P26-Y29 HydrophobicContact CB-CE2 3.78Å; G27-Y29 WeakPolarHBondContact O-CD2 3.11Å; G27-Y29 PolarHBondContact O-N 2.97Å; Y29-M31 PolarHBondContact O-N 3.17Å
30N47.9Very low58.9Low87 Ų87102.5 Ų102.547%0.46555%0.545SS..  trans-50.9116.2179.5-1728.9000106.2H28 E32 S33H28-N30 PolarHBondContact O-N 2.6Å; N30-E32 PolarHBondContact ND2-OE2 3.06Å; N30-E32 PolarHBondContact O-N 2.92Å; N30-S33 VanDerWaalsContact O-CB 3.27Å; N30-S33 WeakPolarHBondContact O-CB 3.27Å; N30-S33 PolarHBondContact O-N 2.74Å; N30-S33 PolarHBondContact O-OG 2.95Å; N30-S33 VanDerWaalsContact O-OG 3.06Å
31M47.3Very low61.4Low74 Ų74106 Ų10637%0.36556%0.556SS.*G310 helixtrans-57.5-24.6-170-160.5172.4179.600111.4Y29 S33 R34 A103 R104Y29-M31 PolarHBondContact O-N 3.17Å; M31-S33 VanDerWaalsContact C-N 3.26Å; M31-S33 PolarHBondContact O-N 3.4Å; M31-R34 PolarHBondContact O-N 3.46Å; M31-A103 HydrophobicContact CB-CB 4.3Å; M31-A103 HydrophobicContact CG-CB 3.87Å; M31-A103 WeakPolarHBondContact O-CB 3.27Å; M31-R104 VanDerWaalsContact CE-CA 3.44Å; M31-R104 HydrophobicContact CE-CB 3.79Å; M31-R104 HydrophobicContact SD-CB 3.76Å
32E53.2Low63.9Low102 Ų102105.8 Ų105.848%0.47755%0.547SS..G310 helixtrans-56.5-31.2169.5-63-173.8148.700114.1N30 R34 I35 H102N30-E32 PolarHBondContact ND2-OE2 3.06Å; N30-E32 PolarHBondContact O-N 2.92Å; E32-R34 PolarHBondContact O-N 2.85Å; E32-I35 PolarHBondContact O-N 3.22Å; E32-I35 VanDerWaalsContact O-N 3.1Å; E32-H102 VanDerWaalsContact CG-CE1 3.41Å; E32-H102 WeakPolarHBondContact CG-CE1 3.39Å; E32-H102 IonicContact OE1-CE1 3.28Å; E32-H102 PolarHBondContact OE1-CE1 2.9Å; E32-H102 VanDerWaalsContact OE1-CE1 3.28Å; E32-H102 IonicContact OE1-ND1 3.46Å; E32-H102 PolarHBondContact OE1-ND1 2.85Å
33S60.6Low66.6Low86 Ų86100.8 Ų100.860%0.60152%0.524SS*.G310 helixtrans-65.6-9.1179.982.80000113.8N30 M31N30-S33 VanDerWaalsContact O-CB 3.27Å; N30-S33 WeakPolarHBondContact O-CB 3.27Å; N30-S33 PolarHBondContact O-N 2.74Å; N30-S33 PolarHBondContact O-OG 2.95Å; N30-S33 VanDerWaalsContact O-OG 3.06Å; M31-S33 VanDerWaalsContact C-N 3.26Å; M31-S33 PolarHBondContact O-N 3.4Å
34R69.6Low69.3Low172 Ų17295.9 Ų95.965%0.64950%0.5SS*.G310 helixtrans-85.3-18.3175.3-62.1-158.3-61-141.86.6113.5M31 E32M31-R34 PolarHBondContact O-N 3.46Å; E32-R34 PolarHBondContact O-N 2.85Å
35I80.4Confident72.1Confident30 Ų3088.8 Ų88.815%0.15447%0.467CS..SBendtrans-100.2125.8179.6-52.7174.4000108.3E32 Y47 Q100 A103 I106E32-I35 PolarHBondContact O-N 3.22Å; E32-I35 VanDerWaalsContact O-N 3.1Å; I35-Y47 HydrophobicContact CG2-CD2 3.73Å; I35-Y47 HydrophobicContact CG2-CE2 4.3Å; I35-Q100 VanDerWaalsContact CG2-NE2 3.34Å; I35-A103 VanDerWaalsContact CD1-CA 3.48Å; I35-A103 HydrophobicContact CD1-CB 3.61Å; I35-A103 HydrophobicContact CG1-CB 3.79Å; I35-I106 HydrophobicContact CD1-CD1 3.39Å; I35-I106 HydrophobicContact CG1-CD1 3.87Å
36E87Confident75Confident125 Ų12584.5 Ų84.558%0.58444%0.437SS*.PPolyproline II helixtrans-60.6144.7169.7-175.154-111.500111.1P46 Q100E36-P46 HydrophobicContact CB-CB 4.32Å; E36-P46 HydrophobicContact CB-CG 3.92Å; E36-P46 HydrophobicContact CG-CG 4.32Å; E36-P46 WeakPolarHBondContact O-CG 3.03Å; E36-Q100 PolarHBondContact O-NE2 2.78Å
37S92.7Very high77.6Confident70 Ų7082 Ų8249%0.4942%0.418SS..PPolyproline II helixtrans-70.4145.6179.664.30000111.4T39S37-T39 PolarHBondContact O-N 2.86Å
38V95.4Very high80.3Confident22 Ų2279.3 Ų79.313%0.13339%0.39CS..PPolyproline II helixtrans-66.2129.2171.8173.90000109.6P40 R44 F45 Y98V38-P40 HydrophobicContact CG1-CG 4.04Å; V38-P40 WeakPolarHBondContact O-CD 3.39Å; V38-R44 WeakPolarHBondContact CG1-O 3.49Å; V38-F45 HydrophobicContact CB-CD1 4.48Å; V38-F45 HydrophobicContact CG1-CD1 3.28Å; V38-F45 HydrophobicContact CG1-CE1 3.53Å; V38-F45 HydrophobicContact CG1-CG 3.99Å; V38-F45 HydrophobicContact CG1-CZ 4.43Å; V38-F45 HydrophobicContact CG2-CD1 4.4Å; V38-Y98 HydrophobicContact CB-CE2 3.94Å; V38-Y98 HydrophobicContact CG1-CD2 4.38Å; V38-Y98 HydrophobicContact CG1-CE2 3.9Å; V38-Y98 HydrophobicContact CG2-CD2 4.02Å; V38-Y98 HydrophobicContact CG2-CE2 3.54Å
39T96.2Very high83Confident50 Ų5070.4 Ų70.431%0.30735%0.349SS..BIsolated β-bridgetrans-118.387.4176.9-57.60000109.6S37 L41 L42 H43 R44S37-T39 PolarHBondContact O-N 2.86Å; T39-L41 VanDerWaalsContact C-N 3.29Å; T39-L41 PolarHBondContact O-N 3.28Å; T39-L42 HydrophobicContact CG2-CB 3.96Å; T39-L42 HydrophobicContact CG2-CD1 3.76Å; T39-L42 HydrophobicContact CG2-CG 3.69Å; T39-L42 PolarHBondContact O-N 3.46Å; T39-L42 VanDerWaalsContact O-N 3.14Å; T39-H43 PolarHBondContact O-N 3.37Å; T39-R44 PolarHBondContact N-O 3.02Å; T39-R44 PolarHBondContact O-N 3.1Å; T39-R44 VanDerWaalsContact O-N 3.1Å
40P94.4Very high85.7Confident42 Ų4261.7 Ų61.727%0.27332%0.315SS..G310 helixtrans-64.8-29.7-172-22.833.2000114.6V38 L42 H43 F45 V170V38-P40 HydrophobicContact CG1-CG 4.04Å; V38-P40 WeakPolarHBondContact O-CD 3.39Å; P40-L42 PolarHBondContact O-N 3.04Å; P40-H43 PolarHBondContact O-N 3.32Å; P40-H43 VanDerWaalsContact O-N 3.08Å; P40-H43 PolarHBondContact O-ND1 2.65Å; P40-F45 HydrophobicContact CB-CZ 4.22Å; P40-V170 HydrophobicContact CB-CG1 3.52Å; P40-V170 HydrophobicContact CG-CG1 3.97Å
41L94.5Very high88.1Confident161 Ų16157.9 Ų57.984%0.84329%0.294SS*.G310 helixtrans-65.5-26.3178.2-66.7177.4000112.9T39T39-L41 VanDerWaalsContact C-N 3.29Å; T39-L41 PolarHBondContact O-N 3.28Å
42L96.1Very high90.5Very high115 Ų11554.6 Ų54.660%0.60228%0.278SS*.G310 helixtrans-101.15.7175.8-57.2-178.9000111.7T39 P40 R44T39-L42 HydrophobicContact CG2-CB 3.96Å; T39-L42 HydrophobicContact CG2-CD1 3.76Å; T39-L42 HydrophobicContact CG2-CG 3.69Å; T39-L42 PolarHBondContact O-N 3.46Å; T39-L42 VanDerWaalsContact O-N 3.14Å; P40-L42 PolarHBondContact O-N 3.04Å; L42-R44 HydrophobicContact CB-CG 4.06Å; L42-R44 PolarHBondContact O-N 3.35Å; L42-R44 PolarHBondContact O-NH1 3.25Å
43H97.1Very high92.5Very high53 Ų5351.1 Ų51.125%0.24526%0.264CS..THydrogen-bonded Turntrans52.339.8-173.8-50.5-58.4000113.3T39 P40 F45 W94T39-H43 PolarHBondContact O-N 3.37Å; P40-H43 PolarHBondContact O-N 3.32Å; P40-H43 VanDerWaalsContact O-N 3.08Å; P40-H43 PolarHBondContact O-ND1 2.65Å; H43-F45 HydrophobicContact CB-CE2 4.48Å; H43-W94 HydrophobicContact CB-CD2 4.02Å; H43-W94 HydrophobicContact CB-CE3 3.54Å; H43-W94 HydrophobicContact CB-CH2 3.67Å; H43-W94 HydrophobicContact CB-CZ2 4.17Å; H43-W94 HydrophobicContact CB-CZ3 3.36Å; H43-W94 AromaticContact CD2-CD2 3.6Å; H43-W94 AromaticContact CD2-CE2 3.21Å; H43-W94 AromaticContact CD2-CH2 3.71Å; H43-W94 AromaticContact CD2-CZ2 3.28Å; H43-W94 WeakPolarHBondContact CD2-CZ2 3.43Å; H43-W94 AromaticContact CD2-NE1 3.6Å; H43-W94 AromaticContact CE1-CD1 3.34Å; H43-W94 AromaticContact CE1-CD2 3.6Å; H43-W94 AromaticContact CE1-CE2 3.74Å; H43-W94 AromaticContact CE1-CG 3.34Å; H43-W94 AromaticContact CE1-NE1 3.58Å; H43-W94 AromaticContact CG-CD2 3.37Å; H43-W94 AromaticContact CG-CE2 3.53Å; H43-W94 AromaticContact CG-CE3 3.46Å; H43-W94 VanDerWaalsContact CG-CE3 3.46Å; H43-W94 AromaticContact CG-CG 3.96Å; H43-W94 AromaticContact CG-CH2 3.75Å; H43-W94 AromaticContact CG-CZ2 3.72Å; H43-W94 AromaticContact CG-CZ3 3.66Å; H43-W94 AromaticContact ND1-CD1 3.92Å; H43-W94 AromaticContact ND1-CD2 3.39Å; H43-W94 AromaticContact ND1-CE2 3.84Å; H43-W94 AromaticContact ND1-CE3 3.73Å; H43-W94 AromaticContact ND1-CG 3.45Å; H43-W94 AromaticContact NE2-CD1 3.49Å; H43-W94 AromaticContact NE2-CD2 3.75Å; H43-W94 AromaticContact NE2-CE2 3.37Å; H43-W94 AromaticContact NE2-CG 3.8Å; H43-W94 AromaticContact NE2-CZ2 3.89Å; H43-W94 AromaticContact NE2-NE1 3.21Å; H43-W94 PolarHBondContact NE2-NE1 2.96Å
44R98.1Very high94.2Very high74 Ų7448.2 Ų48.228%0.27924%0.242SC..BIsolated β-bridgetrans-107.4116.9178-63.6-64.2171-106.613.5110.5V38 T39 L42 P46 Y73 G74 D88V38-R44 WeakPolarHBondContact CG1-O 3.49Å; T39-R44 PolarHBondContact N-O 3.02Å; T39-R44 PolarHBondContact O-N 3.1Å; T39-R44 VanDerWaalsContact O-N 3.1Å; L42-R44 HydrophobicContact CB-CG 4.06Å; L42-R44 PolarHBondContact O-N 3.35Å; L42-R44 PolarHBondContact O-NH1 3.25Å; R44-P46 VanDerWaalsContact C-CD 3.49Å; R44-Y73 WeakPolarHBondContact CD-O 3.33Å; R44-G74 WeakPolarHBondContact CA-O 3.39Å; R44-D88 IonicContact CZ-OD1 2.66Å; R44-D88 IonicContact CZ-OD2 2.72Å; R44-D88 IonicContact NH1-OD1 3.53Å; R44-D88 PolarHBondContact NH1-OD1 3.01Å; R44-D88 IonicContact NH1-OD2 3.18Å; R44-D88 PolarHBondContact NH1-OD2 2.94Å; R44-D88 IonicContact NH2-OD1 3.69Å; R44-D88 IonicContact NH2-OD2 3.68Å; R44-D88 PolarHBondContact NH2-OD2 3.36Å
45F98.2Very high95.3Very high2 Ų244 Ų441%0.00924%0.236CC..  trans-12760-175.6-63.9-95.9000111.5V38 P40 H43 Y47 S48 V50 A70 G74 I76 P95 Y98 V170V38-F45 HydrophobicContact CB-CD1 4.48Å; V38-F45 HydrophobicContact CG1-CD1 3.28Å; V38-F45 HydrophobicContact CG1-CE1 3.53Å; V38-F45 HydrophobicContact CG1-CG 3.99Å; V38-F45 HydrophobicContact CG1-CZ 4.43Å; V38-F45 HydrophobicContact CG2-CD1 4.4Å; P40-F45 HydrophobicContact CB-CZ 4.22Å; H43-F45 HydrophobicContact CB-CE2 4.48Å; F45-Y47 PolarHBondContact O-N 2.66Å; F45-S48 WeakPolarHBondContact O-CB 3.41Å; F45-S48 PolarHBondContact O-N 3.16Å; F45-S48 VanDerWaalsContact O-N 3.11Å; F45-S48 PolarHBondContact O-OG 3.29Å; F45-V50 HydrophobicContact CB-CG1 3.87Å; F45-V50 HydrophobicContact CD1-CG1 4.04Å; F45-V50 HydrophobicContact CD2-CG1 4.3Å; F45-V50 HydrophobicContact CG-CG1 3.83Å; F45-A70 HydrophobicContact CB-CB 4.21Å; F45-A70 WeakPolarHBondContact O-CB 3.41Å; F45-G74 PolarHBondContact N-O 3.14Å; F45-G74 VanDerWaalsContact N-O 3.13Å; F45-I76 HydrophobicContact CD2-CD1 3.78Å; F45-I76 HydrophobicContact CD2-CG1 4.38Å; F45-I76 HydrophobicContact CE2-CD1 4.19Å; F45-P95 HydrophobicContact CD2-CG 4.3Å; F45-P95 HydrophobicContact CE1-CB 4.37Å; F45-P95 HydrophobicContact CE2-CB 4.22Å; F45-P95 HydrophobicContact CE2-CG 3.84Å; F45-P95 HydrophobicContact CZ-CB 3.95Å; F45-P95 HydrophobicContact CZ-CG 4.09Å; F45-Y98 HydrophobicContact CD1-CD1 4.19Å; F45-Y98 HydrophobicContact CD1-CD2 4.01Å; F45-Y98 AromaticContact CD1-CG 3.78Å; F45-Y98 HydrophobicContact CD1-CG 3.78Å; F45-Y98 AromaticContact CE1-CD1 3.88Å; F45-Y98 HydrophobicContact CE1-CD1 3.88Å; F45-Y98 HydrophobicContact CE1-CD2 4.49Å; F45-Y98 HydrophobicContact CE1-CE1 4.39Å; F45-Y98 AromaticContact CE1-CG 3.94Å; F45-Y98 HydrophobicContact CE1-CG 3.94Å; F45-V170 HydrophobicContact CE1-CG2 3.87Å; F45-V170 HydrophobicContact CZ-CG2 4.01Å
46P97.9Very high95.9Very high3 Ų347.9 Ų47.92%0.01926%0.257CS..THydrogen-bonded Turntrans-51.9132.3-172.523.8-36.3000112.3E36 R44 S48 N71 S72 G74 Q100E36-P46 HydrophobicContact CB-CB 4.32Å; E36-P46 HydrophobicContact CB-CG 3.92Å; E36-P46 HydrophobicContact CG-CG 4.32Å; E36-P46 WeakPolarHBondContact O-CG 3.03Å; R44-P46 VanDerWaalsContact C-CD 3.49Å; P46-S48 PolarHBondContact O-N 3.38Å; P46-S48 PolarHBondContact O-OG 3.2Å; P46-S48 VanDerWaalsContact O-OG 3.13Å; P46-N71 WeakPolarHBondContact CA-O 3.4Å; P46-S72 WeakPolarHBondContact CB-O 3.1Å; P46-G74 VanDerWaalsContact N-CA 3.33Å; P46-Q100 PolarHBondContact O-NE2 2.83Å
47Y97.6Very high96.1Very high27 Ų2744.5 Ų44.511%0.10624%0.243CC..THydrogen-bonded Turntrans5627.4179.8-50-83.8000115.5I35 F45 N71 S72 P101 I106 W112I35-Y47 HydrophobicContact CG2-CD2 3.73Å; I35-Y47 HydrophobicContact CG2-CE2 4.3Å; F45-Y47 PolarHBondContact O-N 2.66Å; Y47-N71 PolarHBondContact N-O 3.34Å; Y47-N71 VanDerWaalsContact N-O 3.14Å; Y47-S72 VanDerWaalsContact CZ-CB 3.42Å; Y47-S72 VanDerWaalsContact OH-CB 3.32Å; Y47-S72 WeakPolarHBondContact OH-CB 3.24Å; Y47-P101 WeakPolarHBondContact O-CD 3.29Å; Y47-I106 HydrophobicContact CD1-CD1 4.26Å; Y47-I106 HydrophobicContact CD1-CG2 3.62Å; Y47-I106 HydrophobicContact CD2-CD1 4.33Å; Y47-I106 HydrophobicContact CE1-CG2 3.91Å; Y47-I106 HydrophobicContact CG-CD1 3.82Å; Y47-I106 HydrophobicContact CG-CG2 4.25Å; Y47-W112 VanDerWaalsContact C-CZ2 3.4Å; Y47-W112 HydrophobicContact CD1-CB 4.26Å; Y47-W112 AromaticContact CD1-CD1 3.77Å; Y47-W112 AromaticContact CD1-CD2 3.8Å; Y47-W112 HydrophobicContact CD1-CD2 3.8Å; Y47-W112 HydrophobicContact CD1-CE3 4.4Å; Y47-W112 AromaticContact CD1-CG 3.68Å; Y47-W112 HydrophobicContact CD1-CG 3.68Å; Y47-W112 AromaticContact CD1-NE1 3.93Å; Y47-W112 HydrophobicContact CE1-CB 4.27Å; Y47-W112 HydrophobicContact CE1-CG 4.13Å; Y47-W112 WeakPolarHBondContact O-CH2 3.31Å; Y47-W112 WeakPolarHBondContact O-CZ2 3.39Å
48S98.4Very high96.2Very high0 Ų041.3 Ų41.30%022%0.22CC..  trans-110.3152.7-175.4-54.30000112.1F45 P46 A70 Y99 Q100F45-S48 WeakPolarHBondContact O-CB 3.41Å; F45-S48 PolarHBondContact O-N 3.16Å; F45-S48 VanDerWaalsContact O-N 3.11Å; F45-S48 PolarHBondContact O-OG 3.29Å; P46-S48 PolarHBondContact O-N 3.38Å; P46-S48 PolarHBondContact O-OG 3.2Å; P46-S48 VanDerWaalsContact O-OG 3.13Å; S48-A70 PolarHBondContact O-N 3.09Å; S48-Y99 WeakPolarHBondContact CA-O 3.48Å; S48-Y99 WeakPolarHBondContact CB-O 3.43Å; S48-Q100 WeakPolarHBondContact OG-CB 2.88Å
49I98.6Very high96.2Very high1 Ų145.5 Ų45.51%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-92.7146.3154.459.4170.5000108.7M67 G68 I69 Y98 Y99 V139 F143 L162 L163I49-M67 HydrophobicContact CD1-SD 4.44Å; I49-G68 CarbonylContact C-O 3.51Å; I49-G68 WeakPolarHBondContact CA-O 3.39Å; I49-I69 HydrophobicContact CG2-CB 4.24Å; I49-I69 HydrophobicContact CG2-CD1 4.27Å; I49-I69 HydrophobicContact CG2-CG1 4.01Å; I49-Y98 CarbonylContact O-C 3.57Å; I49-Y98 VanDerWaalsContact O-CA 3.23Å; I49-Y98 WeakPolarHBondContact O-CA 3.3Å; I49-Y98 WeakPolarHBondContact O-CB 3.36Å; I49-Y99 HydrophobicContact CD1-CD1 4.26Å; I49-Y99 HydrophobicContact CG1-CD1 4.09Å; I49-Y99 HydrophobicContact CG1-CG 4.47Å; I49-Y99 PolarHBondContact N-O 3.46Å; I49-Y99 PolarHBondContact O-N 2.94Å; I49-V139 HydrophobicContact CB-CG1 4.4Å; I49-V139 HydrophobicContact CG2-CG1 3.48Å; I49-V139 VanDerWaalsContact CG2-CG1 3.48Å; I49-F143 HydrophobicContact CD1-CE2 4.48Å; I49-F143 HydrophobicContact CD1-CZ 4.34Å; I49-F143 HydrophobicContact CG2-CE1 3.63Å; I49-F143 HydrophobicContact CG2-CE2 4.28Å; I49-F143 HydrophobicContact CG2-CZ 3.36Å; I49-L162 HydrophobicContact CD1-CD2 4.05Å; I49-L163 HydrophobicContact CD1-CB 4.02Å; I49-L163 HydrophobicContact CD1-CD1 4.09Å; I49-L163 HydrophobicContact CG1-CD1 4.1Å
50V98.5Very high96.1Very high0 Ų048.5 Ų48.50%024%0.243CC..EExtended strand (participates in β ladder)trans-130.5157.8-172.8-65.20000110.8F45 M67 G68 I76 M90 P95 M97F45-V50 HydrophobicContact CB-CG1 3.87Å; F45-V50 HydrophobicContact CD1-CG1 4.04Å; F45-V50 HydrophobicContact CD2-CG1 4.3Å; F45-V50 HydrophobicContact CG-CG1 3.83Å; V50-M67 CarbonylContact O-C 3.59Å; V50-M67 VanDerWaalsContact O-CA 3.27Å; V50-M67 WeakPolarHBondContact O-CA 3.43Å; V50-M67 WeakPolarHBondContact O-CG 3.21Å; V50-G68 PolarHBondContact N-O 2.98Å; V50-G68 PolarHBondContact O-N 2.83Å; V50-I76 HydrophobicContact CG1-CD1 4.43Å; V50-I76 HydrophobicContact CG2-CD1 4.2Å; V50-I76 HydrophobicContact CG2-CG1 4.19Å; V50-I76 HydrophobicContact CG2-CG2 3.6Å; V50-M90 HydrophobicContact CG2-CE 4.01Å; V50-M90 HydrophobicContact CG2-SD 3.73Å; V50-P95 HydrophobicContact CB-CB 3.8Å; V50-P95 HydrophobicContact CB-CG 3.54Å; V50-P95 HydrophobicContact CG1-CB 4.11Å; V50-P95 HydrophobicContact CG1-CG 3.79Å; V50-P95 HydrophobicContact CG2-CG 3.87Å; V50-M97 CarbonylContact C-O 3.54Å; V50-M97 WeakPolarHBondContact CA-O 3.14Å
51W98.2Very high96Very high6 Ų652.1 Ų52.12%0.02325%0.254CS..EExtended strand (participates in β ladder)trans-146.8144.7-177.4-179101.6000113.2P53 T58 G65 H66 P95 T96 M97 L163W51-P53 HydrophobicContact CH2-CB 4.23Å; W51-P53 HydrophobicContact CH2-CG 3.83Å; W51-P53 HydrophobicContact CZ3-CB 4.44Å; W51-P53 VanDerWaalsContact CZ3-CD 3.48Å; W51-P53 HydrophobicContact CZ3-CG 3.61Å; W51-T58 HydrophobicContact CH2-CG2 3.94Å; W51-T58 HydrophobicContact CZ2-CG2 4.27Å; W51-G65 VanDerWaalsContact NE1-CA 3.26Å; W51-H66 CarbonylContact C-O 3.58Å; W51-H66 WeakPolarHBondContact CA-O 3.37Å; W51-P95 CarbonylContact O-C 3.57Å; W51-P95 WeakPolarHBondContact O-CA 3.32Å; W51-T96 WeakPolarHBondContact CZ3-OG1 3.49Å; W51-T96 PolarHBondContact O-N 3.13Å; W51-M97 HydrophobicContact CB-CB 4.43Å; W51-M97 HydrophobicContact CB-CE 4.15Å; W51-M97 HydrophobicContact CD2-CE 3.94Å; W51-M97 HydrophobicContact CE3-CB 4.24Å; W51-M97 HydrophobicContact CE3-CE 4.05Å; W51-M97 HydrophobicContact CG-CE 4.01Å; W51-M97 PolarHBondContact N-O 2.89Å; W51-M97 PolarHBondContact O-N 3.08Å; W51-M97 VanDerWaalsContact O-N 3.16Å; W51-L163 HydrophobicContact CB-CD1 4.47Å; W51-L163 HydrophobicContact CB-CD2 3.32Å; W51-L163 HydrophobicContact CB-CG 4.39Å; W51-L163 VanDerWaalsContact CD1-CD2 3.5Å; W51-L163 HydrophobicContact CG-CD2 3.6Å
52T97Very high95.8Very high6 Ų645.2 Ų45.24%0.03722%0.219CC..EExtended strand (participates in β ladder)trans-137.8144.5175.6-174.40000111.1H66 M90 F92 W94T52-H66 HydrophobicContact CG2-CB 3.88Å; T52-H66 PolarHBondContact N-O 3.35Å; T52-H66 PolarHBondContact O-N 3.45Å; T52-M90 HydrophobicContact CG2-CE 3.92Å; T52-F92 HydrophobicContact CG2-CB 3.83Å; T52-F92 PolarHBondContact OG1-O 2.72Å; T52-W94 PolarHBondContact OG1-O 2.85Å
53P96.6Very high95.5Very high29 Ų2943.3 Ų43.319%0.18821%0.212CC..EExtended strand (participates in β ladder)trans-57.6137.7172.3-24.834.8000112.2W51 T58 T96W51-P53 HydrophobicContact CH2-CB 4.23Å; W51-P53 HydrophobicContact CH2-CG 3.83Å; W51-P53 HydrophobicContact CZ3-CB 4.44Å; W51-P53 VanDerWaalsContact CZ3-CD 3.48Å; W51-P53 HydrophobicContact CZ3-CG 3.61Å; P53-T58 HydrophobicContact CB-CG2 3.85Å; P53-T96 VanDerWaalsContact CD-CG2 3.41Å; P53-T96 HydrophobicContact CG-CG2 4.2Å
54I95.1Very high95.2Very high25 Ų2544.6 Ų44.613%0.12822%0.22CC..PPolyproline II helixtrans-88.1120.9167.4-63.8168.5000107.5L57 T58 H66 F92I54-L57 HydrophobicContact CB-CB 4.2Å; I54-L57 HydrophobicContact CB-CD2 4.48Å; I54-L57 HydrophobicContact CD1-CD2 4.16Å; I54-L57 HydrophobicContact CG2-CB 3.91Å; I54-L57 HydrophobicContact CG2-CD2 4.3Å; I54-L57 PolarHBondContact O-N 3.23Å; I54-T58 PolarHBondContact N-OG1 3.17Å; I54-T58 WeakPolarHBondContact O-CB 3.32Å; I54-T58 PolarHBondContact O-N 3.11Å; I54-T58 PolarHBondContact O-OG1 3.45Å; I54-T58 VanDerWaalsContact O-OG1 3.09Å; I54-H66 HydrophobicContact CD1-CB 4.13Å; I54-H66 HydrophobicContact CG1-CB 3.86Å; I54-F92 HydrophobicContact CD1-CE2 4.32Å; I54-F92 HydrophobicContact CG1-CD1 4.43Å; I54-F92 HydrophobicContact CG1-CD2 3.97Å; I54-F92 HydrophobicContact CG1-CE1 4.48Å; I54-F92 HydrophobicContact CG1-CE2 4.01Å; I54-F92 HydrophobicContact CG1-CG 4.16Å; I54-F92 HydrophobicContact CG1-CZ 4.26Å; I54-F92 HydrophobicContact CG2-CD1 4.19Å; I54-F92 HydrophobicContact CG2-CE1 3.89Å; I54-F92 HydrophobicContact CG2-CZ 4.18Å
55P93.2Very high95.1Very high83 Ų8341.1 Ų41.154%0.53921%0.207SC..THydrogen-bonded Turntrans-51.7142.5178.1-27.235.1000112.4L57P55-L57 PolarHBondContact O-N 2.99Å
56L92.4Very high95Very high112 Ų11241.1 Ų41.159%0.58621%0.207SC*.THydrogen-bonded Turntrans66.4-45.7-176-50.3173.4000114.7W59 F60L56-W59 HydrophobicContact CD2-CD2 4.41Å; L56-W59 HydrophobicContact CD2-CE3 4Å; L56-W59 HydrophobicContact CD2-CH2 3.92Å; L56-W59 HydrophobicContact CD2-CZ2 4.33Å; L56-W59 HydrophobicContact CD2-CZ3 3.74Å; L56-W59 WeakPolarHBondContact O-CB 3.13Å; L56-W59 PolarHBondContact O-N 2.77Å; L56-F60 VanDerWaalsContact O-CD2 3.26Å; L56-F60 WeakPolarHBondContact O-CD2 3.3Å
57L92.8Very high95Very high54 Ų5441 Ų4128%0.28321%0.206SC..Hα-helixtrans-69.1-50.3-178.6-178.260.5000111.8I54 P55 W59 F60 F61 I64I54-L57 HydrophobicContact CB-CB 4.2Å; I54-L57 HydrophobicContact CB-CD2 4.48Å; I54-L57 HydrophobicContact CD1-CD2 4.16Å; I54-L57 HydrophobicContact CG2-CB 3.91Å; I54-L57 HydrophobicContact CG2-CD2 4.3Å; I54-L57 PolarHBondContact O-N 3.23Å; P55-L57 PolarHBondContact O-N 2.99Å; L57-W59 PolarHBondContact O-N 2.85Å; L57-W59 VanDerWaalsContact O-N 3.15Å; L57-F60 PolarHBondContact O-N 3.05Å; L57-F60 VanDerWaalsContact O-N 3.15Å; L57-F61 HydrophobicContact CD1-CD2 4.12Å; L57-F61 PolarHBondContact O-N 2.92Å; L57-F61 VanDerWaalsContact O-N 3.1Å; L57-I64 HydrophobicContact CD2-CG2 3.7Å; L57-I64 HydrophobicContact CG-CG2 4.05Å
58T94.3Very high95Very high2 Ų239.7 Ų39.71%0.01220%0.201CC..Hα-helixtrans-66.5-16.4179.1-53.40000112.1W51 P53 I54 F60 F61 P62 I64W51-T58 HydrophobicContact CH2-CG2 3.94Å; W51-T58 HydrophobicContact CZ2-CG2 4.27Å; P53-T58 HydrophobicContact CB-CG2 3.85Å; I54-T58 PolarHBondContact N-OG1 3.17Å; I54-T58 WeakPolarHBondContact O-CB 3.32Å; I54-T58 PolarHBondContact O-N 3.11Å; I54-T58 PolarHBondContact O-OG1 3.45Å; I54-T58 VanDerWaalsContact O-OG1 3.09Å; T58-F60 VanDerWaalsContact C-N 3.31Å; T58-F60 PolarHBondContact O-N 3.47Å; T58-F61 WeakPolarHBondContact CA-O 3.36Å; T58-F61 CarbonylContact O-C 3.53Å; T58-P62 VanDerWaalsContact O-CA 3.29Å; T58-P62 WeakPolarHBondContact O-CA 3Å; T58-I64 WeakPolarHBondContact CB-O 3.2Å; T58-I64 PolarHBondContact OG1-O 3.42Å
59W94.6Very high95.1Very high110 Ų11039.7 Ų39.742%0.41720%0.201SC..Hα-helixtrans-69-30.2175.5-605.7000112.3L56 L57 P181 F182 V185L56-W59 HydrophobicContact CD2-CD2 4.41Å; L56-W59 HydrophobicContact CD2-CE3 4Å; L56-W59 HydrophobicContact CD2-CH2 3.92Å; L56-W59 HydrophobicContact CD2-CZ2 4.33Å; L56-W59 HydrophobicContact CD2-CZ3 3.74Å; L56-W59 WeakPolarHBondContact O-CB 3.13Å; L56-W59 PolarHBondContact O-N 2.77Å; L57-W59 PolarHBondContact O-N 2.85Å; L57-W59 VanDerWaalsContact O-N 3.15Å; W59-P181 HydrophobicContact CB-CB 4.09Å; W59-P181 HydrophobicContact CD2-CB 3.87Å; W59-P181 HydrophobicContact CG-CB 3.49Å; W59-P181 VanDerWaalsContact CG-CB 3.49Å; W59-P181 HydrophobicContact CG-CG 4.49Å; W59-F182 WeakPolarHBondContact O-CA 3.34Å; W59-F182 WeakPolarHBondContact O-CB 3.26Å; W59-F182 WeakPolarHBondContact O-CD2 3.37Å; W59-V185 HydrophobicContact CB-CG2 4.19Å
60F94.6Very high95.1Very high114 Ų11439.7 Ų39.750%0.520%0.201SC..Hα-helixtrans-94.1-32.5174.6-64-82.9000111.7L56 L57 T58 V185L56-F60 VanDerWaalsContact O-CD2 3.26Å; L56-F60 WeakPolarHBondContact O-CD2 3.3Å; L57-F60 PolarHBondContact O-N 3.05Å; L57-F60 VanDerWaalsContact O-N 3.15Å; T58-F60 VanDerWaalsContact C-N 3.31Å; T58-F60 PolarHBondContact O-N 3.47Å; F60-V185 HydrophobicContact CD1-CG1 3.74Å; F60-V185 HydrophobicContact CE1-CG1 3.67Å; F60-V185 HydrophobicContact CE1-CG2 4.49Å
61F93Very high95Very high117 Ų11740.4 Ų40.451%0.51321%0.205SC..  trans-129.284.3-176.3-53.4-73.3000110.3L57 T58 V63 I64L57-F61 HydrophobicContact CD1-CD2 4.12Å; L57-F61 PolarHBondContact O-N 2.92Å; L57-F61 VanDerWaalsContact O-N 3.1Å; T58-F61 WeakPolarHBondContact CA-O 3.36Å; T58-F61 CarbonylContact O-C 3.53Å; F61-V63 PolarHBondContact O-N 3.3Å; F61-I64 HydrophobicContact CB-CB 4.02Å; F61-I64 HydrophobicContact CB-CD1 3.63Å; F61-I64 HydrophobicContact CB-CG1 3.81Å; F61-I64 HydrophobicContact CD2-CD1 4.32Å; F61-I64 HydrophobicContact CG-CD1 3.98Å; F61-I64 PolarHBondContact O-N 2.93Å
62P90.3Very high95Very high16 Ų1640.5 Ų40.510%0.10421%0.207CC..THydrogen-bonded Turntrans-63.6-17.5-169.723.2-34.1000114.6T58 W179 F182T58-P62 VanDerWaalsContact O-CA 3.29Å; T58-P62 WeakPolarHBondContact O-CA 3Å; P62-W179 HydrophobicContact CB-CD2 4.23Å; P62-W179 HydrophobicContact CB-CE3 3.67Å; P62-W179 HydrophobicContact CB-CH2 4.09Å; P62-W179 HydrophobicContact CB-CZ3 3.61Å; P62-W179 HydrophobicContact CG-CE3 3.81Å; P62-W179 HydrophobicContact CG-CH2 3.99Å; P62-W179 HydrophobicContact CG-CZ3 3.35Å; P62-F182 HydrophobicContact CB-CB 4.21Å; P62-F182 HydrophobicContact CB-CG 4.28Å; P62-F182 VanDerWaalsContact CD-CD2 3.49Å; P62-F182 HydrophobicContact CG-CB 4.24Å; P62-F182 HydrophobicContact CG-CD1 3.99Å; P62-F182 HydrophobicContact CG-CD2 3.89Å; P62-F182 HydrophobicContact CG-CE1 4.31Å; P62-F182 HydrophobicContact CG-CE2 4.21Å; P62-F182 HydrophobicContact CG-CG 3.76Å; P62-F182 HydrophobicContact CG-CZ 4.4Å
63V88.9Confident95Very high75 Ų7547.2 Ų47.246%0.45523%0.232SC..THydrogen-bonded Turntrans-84.1-23.2176.2-174.60000112F61 F164F61-V63 PolarHBondContact O-N 3.3Å; V63-F164 HydrophobicContact CB-CD2 4.43Å; V63-F164 HydrophobicContact CB-CE2 4.48Å; V63-F164 HydrophobicContact CG1-CD2 3.66Å; V63-F164 HydrophobicContact CG1-CE2 4.11Å; V63-F164 HydrophobicContact CG1-CG 4.21Å; V63-F164 HydrophobicContact CG2-CD2 4.03Å; V63-F164 HydrophobicContact CG2-CE2 3.6Å; V63-F164 HydrophobicContact CG2-CZ 4.34Å
64I91.9Very high95.1Very high80 Ų8045.8 Ų45.841%0.4122%0.223SC..  trans-83.1124.2177.8-60.9-178.9000108.5L57 T58 F61L57-I64 HydrophobicContact CD2-CG2 3.7Å; L57-I64 HydrophobicContact CG-CG2 4.05Å; T58-I64 WeakPolarHBondContact CB-O 3.2Å; T58-I64 PolarHBondContact OG1-O 3.42Å; F61-I64 HydrophobicContact CB-CB 4.02Å; F61-I64 HydrophobicContact CB-CD1 3.63Å; F61-I64 HydrophobicContact CB-CG1 3.81Å; F61-I64 HydrophobicContact CD2-CD1 4.32Å; F61-I64 HydrophobicContact CG-CD1 3.98Å; F61-I64 PolarHBondContact O-N 2.93Å
65G95Very high95.2Very high2 Ų246.4 Ų46.42%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-164.3-171.6173.800000111.2W51 H136W51-G65 VanDerWaalsContact NE1-CA 3.26Å; G65-H136 PolarHBondContact O-NE2 2.88Å
66H96.7Very high95.5Very high2 Ų242.5 Ų42.51%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-95.8135.5-171.9-171.866.6000111.2W51 T52 I54 D78 F79 F92 C135W51-H66 CarbonylContact C-O 3.58Å; W51-H66 WeakPolarHBondContact CA-O 3.37Å; T52-H66 HydrophobicContact CG2-CB 3.88Å; T52-H66 PolarHBondContact N-O 3.35Å; T52-H66 PolarHBondContact O-N 3.45Å; I54-H66 HydrophobicContact CD1-CB 4.13Å; I54-H66 HydrophobicContact CG1-CB 3.86Å; H66-D78 IonicContact CD2-OD2 2.75Å; H66-D78 IonicContact CE1-OD2 3.77Å; H66-D78 IonicContact NE2-OD2 3.65Å; H66-D78 PolarHBondContact NE2-OD2 2.94Å; H66-F79 PolarHBondContact CE1-O 3.33Å; H66-F92 HydrophobicContact CB-CD2 3.41Å; H66-F92 VanDerWaalsContact CB-CD2 3.41Å; H66-F92 HydrophobicContact CB-CE2 3.95Å; H66-F92 HydrophobicContact CB-CG 4.35Å; H66-F92 AromaticContact CD2-CD2 3.7Å; H66-F92 AromaticContact CG-CD2 3.38Å; H66-F92 AromaticContact CG-CE2 3.73Å; H66-F92 AromaticContact ND1-CD2 3.8Å; H66-F92 AromaticContact ND1-CE2 3.63Å; H66-C135 VanDerWaalsContact CE1-CB 3.47Å; H66-C135 WeakPolarHBondContact CE1-CB 3.44Å; H66-C135 PolarHBondContact ND1-SG 3.06Å
67M97.7Very high95.8Very high0 Ų038.4 Ų38.40%018%0.178CC..EExtended strand (participates in β ladder)trans-113.6146.6-175.7-162.7-178.8-81.600111.1I49 V50 C135 H136 V139 V159 L163I49-M67 HydrophobicContact CD1-SD 4.44Å; V50-M67 CarbonylContact O-C 3.59Å; V50-M67 VanDerWaalsContact O-CA 3.27Å; V50-M67 WeakPolarHBondContact O-CA 3.43Å; V50-M67 WeakPolarHBondContact O-CG 3.21Å; M67-C135 PolarHBondContact N-SG 3.26Å; M67-C135 WeakPolarHBondContact O-CB 3.22Å; M67-H136 WeakPolarHBondContact CE-ND1 3.33Å; M67-V139 HydrophobicContact CB-CG2 4.39Å; M67-V139 HydrophobicContact CG-CG2 3.86Å; M67-V139 HydrophobicContact SD-CB 3.84Å; M67-V139 HydrophobicContact SD-CG1 3.78Å; M67-V139 HydrophobicContact SD-CG2 3.87Å; M67-V159 HydrophobicContact CE-CB 4.26Å; M67-V159 HydrophobicContact CE-CG2 4.11Å; M67-V159 HydrophobicContact SD-CB 4.09Å; M67-V159 HydrophobicContact SD-CG2 3.89Å; M67-L163 HydrophobicContact CE-CB 4.01Å; M67-L163 HydrophobicContact CE-CD2 3.55Å; M67-L163 HydrophobicContact CE-CG 4.4Å
68G98.3Very high96Very high0 Ų035.9 Ų35.90%016%0.164CC..EExtended strand (participates in β ladder)trans-134.7168.916700000110.9I49 V50 Y77I49-G68 CarbonylContact C-O 3.51Å; I49-G68 WeakPolarHBondContact CA-O 3.39Å; V50-G68 PolarHBondContact N-O 2.98Å; V50-G68 PolarHBondContact O-N 2.83Å; G68-Y77 CarbonylContact C-O 3.58Å; G68-Y77 VanDerWaalsContact CA-O 3.24Å; G68-Y77 WeakPolarHBondContact CA-O 3.35Å
69I98.8Very high96.1Very high0 Ų035.8 Ų35.80%016%0.164CC..EExtended strand (participates in β ladder)trans-126.5137.2172.4-171.4169.4000109.5I49 Y77 W112 I116 V139 A142 F143 M146I49-I69 HydrophobicContact CG2-CB 4.24Å; I49-I69 HydrophobicContact CG2-CD1 4.27Å; I49-I69 HydrophobicContact CG2-CG1 4.01Å; I69-Y77 PolarHBondContact N-O 3.49Å; I69-Y77 PolarHBondContact O-N 3.31Å; I69-W112 HydrophobicContact CD1-CZ2 4.02Å; I69-W112 HydrophobicContact CG1-CZ2 4.12Å; I69-I116 HydrophobicContact CD1-CD1 3.99Å; I69-I116 HydrophobicContact CD1-CG1 3.9Å; I69-I116 HydrophobicContact CG1-CD1 3.81Å; I69-I116 HydrophobicContact CG1-CG1 4.15Å; I69-I116 HydrophobicContact CG2-CD1 4.27Å; I69-I116 HydrophobicContact CG2-CG1 4.04Å; I69-I116 HydrophobicContact CG2-CG2 4.31Å; I69-V139 HydrophobicContact CB-CG1 4.47Å; I69-V139 HydrophobicContact CB-CG2 4.05Å; I69-V139 HydrophobicContact CG2-CG2 4.35Å; I69-A142 HydrophobicContact CD1-CB 3.91Å; I69-F143 HydrophobicContact CD1-CD1 3.84Å; I69-F143 HydrophobicContact CD1-CE1 3.64Å; I69-M146 HydrophobicContact CD1-CE 4Å
70A98.6Very high96.1Very high0 Ų031.7 Ų31.70%015%0.154CC..EExtended strand (participates in β ladder)trans-105.5140.4-178.400000111.8F45 S48 I75 I76 W112 I116F45-A70 HydrophobicContact CB-CB 4.21Å; F45-A70 WeakPolarHBondContact O-CB 3.41Å; S48-A70 PolarHBondContact O-N 3.09Å; A70-I75 CarbonylContact C-O 3.45Å; A70-I75 WeakPolarHBondContact CA-O 3.49Å; A70-I76 HydrophobicContact CB-CG1 4.09Å; A70-W112 PolarHBondContact O-NE1 2.86Å; A70-I116 WeakPolarHBondContact O-CD1 3.27Å
71N98.3Very high95.9Very high15 Ų1528 Ų288%0.0814%0.144CC..  trans-72.2-177.7175.8728.5000111.8P46 Y47 Y73 G74 I75 Y77 D113 I116P46-N71 WeakPolarHBondContact CA-O 3.4Å; Y47-N71 PolarHBondContact N-O 3.34Å; Y47-N71 VanDerWaalsContact N-O 3.14Å; N71-Y73 PolarHBondContact O-N 2.89Å; N71-Y73 WeakPolarHBondContact OD1-CA 3.31Å; N71-Y73 WeakPolarHBondContact OD1-CB 3.48Å; N71-Y73 PolarHBondContact OD1-N 3.41Å; N71-G74 PolarHBondContact O-N 3.18Å; N71-G74 PolarHBondContact OD1-N 2.91Å; N71-I75 PolarHBondContact N-O 3.12Å; N71-I75 PolarHBondContact OD1-N 3.08Å; N71-Y77 HydrophobicContact CB-CE2 4.15Å; N71-D113 WeakPolarHBondContact CB-OD1 3.45Å; N71-I116 HydrophobicContact CB-CD1 4.32Å
72S97.2Very high95.7Very high8 Ų825.3 Ų25.36%0.05614%0.139CC..THydrogen-bonded Turntrans-60.2-24.8177.963.90000114.7P46 Y47 G74 R109 D113P46-S72 WeakPolarHBondContact CB-O 3.1Å; Y47-S72 VanDerWaalsContact CZ-CB 3.42Å; Y47-S72 VanDerWaalsContact OH-CB 3.32Å; Y47-S72 WeakPolarHBondContact OH-CB 3.24Å; S72-G74 VanDerWaalsContact C-N 3.33Å; S72-R109 PolarHBondContact OG-NE 2.72Å; S72-R109 PolarHBondContact OG-NH2 3.11Å; S72-D113 WeakPolarHBondContact CB-OD1 3.4Å; S72-D113 WeakPolarHBondContact CB-OD2 3.38Å; S72-D113 PolarHBondContact N-OD1 3.34Å; S72-D113 VanDerWaalsContact OG-CG 3.32Å; S72-D113 PolarHBondContact OG-OD1 3.01Å; S72-D113 PolarHBondContact OG-OD2 3.39Å
73Y96.8Very high95.7Very high147 Ų14731 Ų3158%0.57616%0.159SC*.THydrogen-bonded Turntrans-86.6-6.4175.5-60.7-85.6000112.7R44 N71 R109R44-Y73 WeakPolarHBondContact CD-O 3.33Å; N71-Y73 PolarHBondContact O-N 2.89Å; N71-Y73 WeakPolarHBondContact OD1-CA 3.31Å; N71-Y73 WeakPolarHBondContact OD1-CB 3.48Å; N71-Y73 PolarHBondContact OD1-N 3.41Å; Y73-R109 VanDerWaalsContact CD1-NH2 3.34Å; Y73-R109 PolarHBondContact OH-NH2 3.13Å
74G97.9Very high96Very high0 Ų030.7 Ų30.70%016%0.157CC..  trans81.212.3-177.100000115R44 F45 P46 N71 S72R44-G74 WeakPolarHBondContact CA-O 3.39Å; F45-G74 PolarHBondContact N-O 3.14Å; F45-G74 VanDerWaalsContact N-O 3.13Å; P46-G74 VanDerWaalsContact N-CA 3.33Å; N71-G74 PolarHBondContact O-N 3.18Å; N71-G74 PolarHBondContact OD1-N 2.91Å; S72-G74 VanDerWaalsContact C-N 3.33Å
75I98.5Very high96.2Very high38 Ų3828.2 Ų28.220%0.19514%0.144CC..  trans-75128.4170.9-60.5173.1000108A70 N71 Y77 E87 D88A70-I75 CarbonylContact C-O 3.45Å; A70-I75 WeakPolarHBondContact CA-O 3.49Å; N71-I75 PolarHBondContact N-O 3.12Å; N71-I75 PolarHBondContact OD1-N 3.08Å; I75-Y77 HydrophobicContact CB-CE2 4.3Å; I75-Y77 HydrophobicContact CG2-CE2 3.96Å; I75-E87 HydrophobicContact CG2-CG 4.17Å; I75-D88 HydrophobicContact CG2-CB 3.95Å
76I98.7Very high96.3Very high0 Ų028.6 Ų28.60%015%0.148CC..EExtended strand (participates in β ladder)trans-90.3137.1-174.9-59.7160000110.3F45 V50 A70 D88 M90 W94 P95F45-I76 HydrophobicContact CD2-CD1 3.78Å; F45-I76 HydrophobicContact CD2-CG1 4.38Å; F45-I76 HydrophobicContact CE2-CD1 4.19Å; V50-I76 HydrophobicContact CG1-CD1 4.43Å; V50-I76 HydrophobicContact CG2-CD1 4.2Å; V50-I76 HydrophobicContact CG2-CG1 4.19Å; V50-I76 HydrophobicContact CG2-CG2 3.6Å; A70-I76 HydrophobicContact CB-CG1 4.09Å; I76-D88 PolarHBondContact O-N 2.95Å; I76-M90 HydrophobicContact CD1-SD 4.31Å; I76-M90 HydrophobicContact CG2-CG 3.69Å; I76-M90 HydrophobicContact CG2-SD 3.81Å; I76-W94 HydrophobicContact CD1-CE3 4.4Å; I76-W94 HydrophobicContact CD1-CZ3 4.35Å; I76-P95 HydrophobicContact CD1-CG 3.55Å
77Y98.6Very high96.3Very high27 Ų2734.2 Ų34.211%0.10618%0.175CC..EExtended strand (participates in β ladder)trans-120.1137.1169.1-59.2-91000110.6G68 I69 N71 I75 I85 G86 E87 I116 N120G68-Y77 CarbonylContact C-O 3.58Å; G68-Y77 VanDerWaalsContact CA-O 3.24Å; G68-Y77 WeakPolarHBondContact CA-O 3.35Å; I69-Y77 PolarHBondContact N-O 3.49Å; I69-Y77 PolarHBondContact O-N 3.31Å; N71-Y77 HydrophobicContact CB-CE2 4.15Å; I75-Y77 HydrophobicContact CB-CE2 4.3Å; I75-Y77 HydrophobicContact CG2-CE2 3.96Å; Y77-I85 HydrophobicContact CD1-CG2 4.03Å; Y77-G86 VanDerWaalsContact CA-O 3.26Å; Y77-G86 WeakPolarHBondContact CA-O 3.49Å; Y77-E87 HydrophobicContact CD1-CB 4.01Å; Y77-E87 HydrophobicContact CD1-CG 4.17Å; Y77-E87 HydrophobicContact CE1-CB 3.78Å; Y77-E87 VanDerWaalsContact CE1-CD 3.45Å; Y77-E87 HydrophobicContact CE1-CG 3.48Å; Y77-E87 VanDerWaalsContact CE1-CG 3.48Å; Y77-E87 PolarHBondContact OH-OE1 3.26Å; Y77-I116 HydrophobicContact CD2-CG2 3.78Å; Y77-I116 HydrophobicContact CE2-CG2 4.39Å; Y77-I116 HydrophobicContact CG-CG2 4.18Å; Y77-N120 WeakPolarHBondContact CD1-ND2 3.42Å
78D98Very high96.3Very high0 Ų036.6 Ų36.60%019%0.187CC..EExtended strand (participates in β ladder)trans-141.9143.6177.764.5-51.1000111.4H66 A80 I85 G86 M90 A91H66-D78 IonicContact CD2-OD2 2.75Å; H66-D78 IonicContact CE1-OD2 3.77Å; H66-D78 IonicContact NE2-OD2 3.65Å; H66-D78 PolarHBondContact NE2-OD2 2.94Å; D78-A80 VanDerWaalsContact C-N 3.3Å; D78-A80 PolarHBondContact O-N 2.87Å; D78-I85 CarbonylContact O-C 3.57Å; D78-I85 WeakPolarHBondContact O-CA 3.39Å; D78-G86 PolarHBondContact N-O 2.85Å; D78-G86 PolarHBondContact O-N 2.93Å; D78-G86 WeakPolarHBondContact OD1-CA 3.41Å; D78-M90 HydrophobicContact CB-CG 4.5Å; D78-M90 WeakPolarHBondContact OD1-CA 3.46Å; D78-M90 WeakPolarHBondContact OD2-CA 3.31Å; D78-A91 PolarHBondContact OD2-N 3.11Å
79F96.2Very high96.2Very high0 Ų043.9 Ų43.90%022%0.221CC..EExtended strand (participates in β ladder)trans-74.888.8168.7-175.4-147000109.4H66 A81 T84 I85 Y123 R126 H128 C135 H138H66-F79 PolarHBondContact CE1-O 3.33Å; F79-A81 WeakPolarHBondContact CD2-O 3.37Å; F79-A81 WeakPolarHBondContact CE2-O 3.32Å; F79-T84 WeakPolarHBondContact CD2-O 3.22Å; F79-I85 HydrophobicContact CB-CD1 4.22Å; F79-I85 HydrophobicContact CD2-CD1 4.15Å; F79-Y123 HydrophobicContact CB-CD1 4.43Å; F79-Y123 AromaticContact CD1-CD1 3.5Å; F79-Y123 HydrophobicContact CD1-CD1 3.5Å; F79-Y123 HydrophobicContact CD1-CE1 4.06Å; F79-Y123 HydrophobicContact CD2-CD1 4.36Å; F79-Y123 AromaticContact CE1-CD1 3.67Å; F79-Y123 HydrophobicContact CE1-CD1 3.67Å; F79-Y123 HydrophobicContact CE1-CE1 4.21Å; F79-Y123 HydrophobicContact CE2-CD1 4.48Å; F79-Y123 WeakPolarHBondContact CE2-O 3.49Å; F79-Y123 AromaticContact CG-CD1 3.88Å; F79-Y123 HydrophobicContact CG-CD1 3.88Å; F79-Y123 HydrophobicContact CZ-CD1 4.16Å; F79-R126 HydrophobicContact CZ-CB 4.29Å; F79-R126 WeakPolarHBondContact CZ-O 3.12Å; F79-H128 HydrophobicContact CD1-CB 4.46Å; F79-H128 AromaticContact CD1-CD2 3.41Å; F79-H128 VanDerWaalsContact CD1-CD2 3.41Å; F79-H128 WeakPolarHBondContact CD1-CD2 3.41Å; F79-H128 HydrophobicContact CE1-CB 3.61Å; F79-H128 AromaticContact CE1-CD2 3.41Å; F79-H128 VanDerWaalsContact CE1-CD2 3.41Å; F79-H128 WeakPolarHBondContact CE1-CD2 3.39Å; F79-H128 AromaticContact CE1-CG 3.81Å; F79-H128 HydrophobicContact CE2-CB 4.18Å; F79-H128 AromaticContact CG-CD2 3.97Å; F79-H128 HydrophobicContact CZ-CB 3.45Å; F79-H128 VanDerWaalsContact CZ-CB 3.45Å; F79-H128 AromaticContact CZ-CD2 3.99Å; F79-C135 HydrophobicContact CB-CB 4.42Å; F79-H138 HydrophobicContact CB-CB 3.84Å
80A93.4Very high96.1Very high25 Ų2544.3 Ų44.321%0.20722%0.224CC..EExtended strand (participates in β ladder)trans-77.7-34.7-167.100000113.4D78 T84 A91D78-A80 VanDerWaalsContact C-N 3.3Å; D78-A80 PolarHBondContact O-N 2.87Å; A80-T84 HydrophobicContact CB-CG2 4.42Å; A80-T84 PolarHBondContact N-O 3.48Å; A80-A91 HydrophobicContact CB-CB 3.83Å
81A90.4Very high96Very high36 Ų3646.5 Ų46.530%0.29824%0.242SC..EExtended strand (participates in β ladder)trans-161.2173.7-177.800000109.6F79 Y83 T84F79-A81 WeakPolarHBondContact CD2-O 3.37Å; F79-A81 WeakPolarHBondContact CE2-O 3.32Å; A81-Y83 PolarHBondContact O-N 3.44Å; A81-T84 PolarHBondContact N-O 3.41Å; A81-T84 PolarHBondContact O-N 3.11Å
82P88.8Confident95.8Very high61 Ų6149.8 Ų49.840%0.39626%0.256SS..THydrogen-bonded Turntrans-50.2132.5174.8-24.332.3000111.4T84 H128P82-T84 PolarHBondContact O-N 3.44Å; P82-T84 PolarHBondContact O-OG1 2.89Å; P82-H128 HydrophobicContact CB-CB 4.22Å; P82-H128 HydrophobicContact CG-CB 3.79Å
83Y91.8Very high95.8Very high135 Ų13551.1 Ų51.153%0.52927%0.271SS..THydrogen-bonded Turntrans58.113.1178.9-41.8-70.8000115.4A81 K124 R126 V127A81-Y83 PolarHBondContact O-N 3.44Å; Y83-K124 WeakPolarHBondContact CA-O 3.39Å; Y83-K124 VanDerWaalsContact CB-O 3.26Å; Y83-K124 WeakPolarHBondContact CB-O 3.42Å; Y83-R126 WeakPolarHBondContact CD1-O 3.23Å; Y83-R126 PolarHBondContact N-O 3.27Å; Y83-V127 HydrophobicContact CE1-CG2 4.09Å; Y83-V127 HydrophobicContact CE2-CG2 4.43Å; Y83-V127 WeakPolarHBondContact OH-CG2 3.41Å
84T94Very high95.8Very high68 Ų6849 Ų4942%0.41726%0.262SS..EExtended strand (participates in β ladder)trans-125.8117.1-168.3-55.20000110.5F79 A80 A81 P82F79-T84 WeakPolarHBondContact CD2-O 3.22Å; A80-T84 HydrophobicContact CB-CG2 4.42Å; A80-T84 PolarHBondContact N-O 3.48Å; A81-T84 PolarHBondContact N-O 3.41Å; A81-T84 PolarHBondContact O-N 3.11Å; P82-T84 PolarHBondContact O-N 3.44Å; P82-T84 PolarHBondContact O-OG1 2.89Å
85I97Very high95.8Very high28 Ų2849.1 Ų49.114%0.14426%0.263CS..EExtended strand (participates in β ladder)trans-98.7121.1168.5-61.7-61.1000107.9Y77 D78 F79 N120 K124Y77-I85 HydrophobicContact CD1-CG2 4.03Å; D78-I85 CarbonylContact O-C 3.57Å; D78-I85 WeakPolarHBondContact O-CA 3.39Å; F79-I85 HydrophobicContact CB-CD1 4.22Å; F79-I85 HydrophobicContact CD2-CD1 4.15Å; I85-N120 HydrophobicContact CG1-CB 4.21Å; I85-N120 HydrophobicContact CG2-CB 4.3Å; I85-K124 HydrophobicContact CG1-CG 3.8Å
86G96.3Very high95.7Very high10 Ų1047.8 Ų47.810%0.10326%0.256CS..EExtended strand (participates in β ladder)trans-71.6137.6165.500000109.4Y77 D78Y77-G86 VanDerWaalsContact CA-O 3.26Å; Y77-G86 WeakPolarHBondContact CA-O 3.49Å; D78-G86 PolarHBondContact N-O 2.85Å; D78-G86 PolarHBondContact O-N 2.93Å; D78-G86 WeakPolarHBondContact OD1-CA 3.41Å
87E97.8Very high95.7Very high120 Ų12048.5 Ų48.556%0.56126%0.26SS*.EExtended strand (participates in β ladder)trans-126.8120.5175.2172.3166.4-157.600108I75 Y77 Q89I75-E87 HydrophobicContact CG2-CG 4.17Å; Y77-E87 HydrophobicContact CD1-CB 4.01Å; Y77-E87 HydrophobicContact CD1-CG 4.17Å; Y77-E87 HydrophobicContact CE1-CB 3.78Å; Y77-E87 VanDerWaalsContact CE1-CD 3.45Å; Y77-E87 HydrophobicContact CE1-CG 3.48Å; Y77-E87 VanDerWaalsContact CE1-CG 3.48Å; Y77-E87 PolarHBondContact OH-OE1 3.26Å; E87-Q89 PolarHBondContact O-N 3.04Å
88D97.2Very high95.7Very high50 Ų5048.3 Ų48.327%0.26726%0.259SS..SBendtrans52.917.5-174.6-142.223.5000114.2R44 I75 I76 W94R44-D88 IonicContact CZ-OD1 2.66Å; R44-D88 IonicContact CZ-OD2 2.72Å; R44-D88 IonicContact NH1-OD1 3.53Å; R44-D88 PolarHBondContact NH1-OD1 3.01Å; R44-D88 IonicContact NH1-OD2 3.18Å; R44-D88 PolarHBondContact NH1-OD2 2.94Å; R44-D88 IonicContact NH2-OD1 3.69Å; R44-D88 IonicContact NH2-OD2 3.68Å; R44-D88 PolarHBondContact NH2-OD2 3.36Å; I75-D88 HydrophobicContact CG2-CB 3.95Å; I76-D88 PolarHBondContact O-N 2.95Å; D88-W94 WeakPolarHBondContact O-CH2 3.22Å
89Q96.3Very high95.7Very high153 Ų15349.6 Ų49.672%0.71526%0.264SS*.SBendtrans-153.491.7179.1-171.7173.143.800110E87E87-Q89 PolarHBondContact O-N 3.04Å
90M97.1Very high95.8Very high9 Ų951.7 Ų51.74%0.04427%0.274CS..  trans-68.8147.4179.9-68.3-17972.200112.5V50 T52 I76 D78 F92 G93 P95V50-M90 HydrophobicContact CG2-CE 4.01Å; V50-M90 HydrophobicContact CG2-SD 3.73Å; T52-M90 HydrophobicContact CG2-CE 3.92Å; I76-M90 HydrophobicContact CD1-SD 4.31Å; I76-M90 HydrophobicContact CG2-CG 3.69Å; I76-M90 HydrophobicContact CG2-SD 3.81Å; D78-M90 HydrophobicContact CB-CG 4.5Å; D78-M90 WeakPolarHBondContact OD1-CA 3.46Å; D78-M90 WeakPolarHBondContact OD2-CA 3.31Å; M90-F92 VanDerWaalsContact C-N 3.27Å; M90-F92 PolarHBondContact O-N 3.18Å; M90-F92 VanDerWaalsContact O-N 3.15Å; M90-G93 WeakPolarHBondContact CB-O 3.34Å; M90-G93 PolarHBondContact O-N 3.31Å; M90-P95 HydrophobicContact SD-CG 3.77Å
91A95.3Very high95.9Very high47 Ų4750.7 Ų50.739%0.38827%0.265SS..THydrogen-bonded Turntrans-55.4-34.6-177.100000115.1D78 A80D78-A91 PolarHBondContact OD2-N 3.11Å; A80-A91 HydrophobicContact CB-CB 3.83Å
92F95.3Very high96Very high83 Ų8352.3 Ų52.336%0.36427%0.267SS..THydrogen-bonded Turntrans-118.928.1-174.7-53.4-82.5000112.5T52 I54 H66 M90T52-F92 HydrophobicContact CG2-CB 3.83Å; T52-F92 PolarHBondContact OG1-O 2.72Å; I54-F92 HydrophobicContact CD1-CE2 4.32Å; I54-F92 HydrophobicContact CG1-CD1 4.43Å; I54-F92 HydrophobicContact CG1-CD2 3.97Å; I54-F92 HydrophobicContact CG1-CE1 4.48Å; I54-F92 HydrophobicContact CG1-CE2 4.01Å; I54-F92 HydrophobicContact CG1-CG 4.16Å; I54-F92 HydrophobicContact CG1-CZ 4.26Å; I54-F92 HydrophobicContact CG2-CD1 4.19Å; I54-F92 HydrophobicContact CG2-CE1 3.89Å; I54-F92 HydrophobicContact CG2-CZ 4.18Å; H66-F92 HydrophobicContact CB-CD2 3.41Å; H66-F92 VanDerWaalsContact CB-CD2 3.41Å; H66-F92 HydrophobicContact CB-CE2 3.95Å; H66-F92 HydrophobicContact CB-CG 4.35Å; H66-F92 AromaticContact CD2-CD2 3.7Å; H66-F92 AromaticContact CG-CD2 3.38Å; H66-F92 AromaticContact CG-CE2 3.73Å; H66-F92 AromaticContact ND1-CD2 3.8Å; H66-F92 AromaticContact ND1-CE2 3.63Å; M90-F92 VanDerWaalsContact C-N 3.27Å; M90-F92 PolarHBondContact O-N 3.18Å; M90-F92 VanDerWaalsContact O-N 3.15Å
93G95.8Very high96.2Very high36 Ų3649.6 Ų49.637%0.37125%0.249SC..  trans85.2-177.817900000114.1M90M90-G93 WeakPolarHBondContact CB-O 3.34Å; M90-G93 PolarHBondContact O-N 3.31Å
94W97.5Very high96.2Very high102 Ų10251.8 Ų51.839%0.38626%0.257SS..SBendtrans-68.6153.9-169.8-65.3117.9000114H43 T52 I76 D88 T96H43-W94 HydrophobicContact CB-CD2 4.02Å; H43-W94 HydrophobicContact CB-CE3 3.54Å; H43-W94 HydrophobicContact CB-CH2 3.67Å; H43-W94 HydrophobicContact CB-CZ2 4.17Å; H43-W94 HydrophobicContact CB-CZ3 3.36Å; H43-W94 AromaticContact CD2-CD2 3.6Å; H43-W94 AromaticContact CD2-CE2 3.21Å; H43-W94 AromaticContact CD2-CH2 3.71Å; H43-W94 AromaticContact CD2-CZ2 3.28Å; H43-W94 WeakPolarHBondContact CD2-CZ2 3.43Å; H43-W94 AromaticContact CD2-NE1 3.6Å; H43-W94 AromaticContact CE1-CD1 3.34Å; H43-W94 AromaticContact CE1-CD2 3.6Å; H43-W94 AromaticContact CE1-CE2 3.74Å; H43-W94 AromaticContact CE1-CG 3.34Å; H43-W94 AromaticContact CE1-NE1 3.58Å; H43-W94 AromaticContact CG-CD2 3.37Å; H43-W94 AromaticContact CG-CE2 3.53Å; H43-W94 AromaticContact CG-CE3 3.46Å; H43-W94 VanDerWaalsContact CG-CE3 3.46Å; H43-W94 AromaticContact CG-CG 3.96Å; H43-W94 AromaticContact CG-CH2 3.75Å; H43-W94 AromaticContact CG-CZ2 3.72Å; H43-W94 AromaticContact CG-CZ3 3.66Å; H43-W94 AromaticContact ND1-CD1 3.92Å; H43-W94 AromaticContact ND1-CD2 3.39Å; H43-W94 AromaticContact ND1-CE2 3.84Å; H43-W94 AromaticContact ND1-CE3 3.73Å; H43-W94 AromaticContact ND1-CG 3.45Å; H43-W94 AromaticContact NE2-CD1 3.49Å; H43-W94 AromaticContact NE2-CD2 3.75Å; H43-W94 AromaticContact NE2-CE2 3.37Å; H43-W94 AromaticContact NE2-CG 3.8Å; H43-W94 AromaticContact NE2-CZ2 3.89Å; H43-W94 AromaticContact NE2-NE1 3.21Å; H43-W94 PolarHBondContact NE2-NE1 2.96Å; T52-W94 PolarHBondContact OG1-O 2.85Å; I76-W94 HydrophobicContact CD1-CE3 4.4Å; I76-W94 HydrophobicContact CD1-CZ3 4.35Å; D88-W94 WeakPolarHBondContact O-CH2 3.22Å; W94-T96 PolarHBondContact O-N 3.14Å
95P97.8Very high96.1Very high4 Ų451.1 Ų51.13%0.02625%0.25CC..  trans-54.2134.1-179.8-29.236.3000113.9F45 V50 W51 I76 M90 V170F45-P95 HydrophobicContact CD2-CG 4.3Å; F45-P95 HydrophobicContact CE1-CB 4.37Å; F45-P95 HydrophobicContact CE2-CB 4.22Å; F45-P95 HydrophobicContact CE2-CG 3.84Å; F45-P95 HydrophobicContact CZ-CB 3.95Å; F45-P95 HydrophobicContact CZ-CG 4.09Å; V50-P95 HydrophobicContact CB-CB 3.8Å; V50-P95 HydrophobicContact CB-CG 3.54Å; V50-P95 HydrophobicContact CG1-CB 4.11Å; V50-P95 HydrophobicContact CG1-CG 3.79Å; V50-P95 HydrophobicContact CG2-CG 3.87Å; W51-P95 CarbonylContact O-C 3.57Å; W51-P95 WeakPolarHBondContact O-CA 3.32Å; I76-P95 HydrophobicContact CD1-CG 3.55Å; M90-P95 HydrophobicContact SD-CG 3.77Å; P95-V170 WeakPolarHBondContact O-CG2 3.39Å
96T97.4Very high95.8Very high10 Ų1050.8 Ų50.86%0.06125%0.248CC..SBendtrans-99.7-23.7168.874.30000111.2W51 P53 W94 Y169 V170 S178W51-T96 WeakPolarHBondContact CZ3-OG1 3.49Å; W51-T96 PolarHBondContact O-N 3.13Å; P53-T96 VanDerWaalsContact CD-CG2 3.41Å; P53-T96 HydrophobicContact CG-CG2 4.2Å; W94-T96 PolarHBondContact O-N 3.14Å; T96-Y169 CarbonylContact O-C 3.41Å; T96-Y169 VanDerWaalsContact O-CA 3.3Å; T96-Y169 WeakPolarHBondContact O-CA 3.41Å; T96-Y169 WeakPolarHBondContact O-CD1 3.41Å; T96-V170 PolarHBondContact O-N 3.5Å; T96-S178 PolarHBondContact OG1-OG 3.44Å
97M97.9Very high95.4Very high14 Ų1452.6 Ų52.67%0.06927%0.267CS..EExtended strand (participates in β ladder)trans-138.6149.2178.8-178.3172.657.400110.3V50 W51 L163 K168 Y169V50-M97 CarbonylContact C-O 3.54Å; V50-M97 WeakPolarHBondContact CA-O 3.14Å; W51-M97 HydrophobicContact CB-CB 4.43Å; W51-M97 HydrophobicContact CB-CE 4.15Å; W51-M97 HydrophobicContact CD2-CE 3.94Å; W51-M97 HydrophobicContact CE3-CB 4.24Å; W51-M97 HydrophobicContact CE3-CE 4.05Å; W51-M97 HydrophobicContact CG-CE 4.01Å; W51-M97 PolarHBondContact N-O 2.89Å; W51-M97 PolarHBondContact O-N 3.08Å; W51-M97 VanDerWaalsContact O-N 3.16Å; M97-L163 HydrophobicContact CE-CD1 4.29Å; M97-L163 HydrophobicContact CE-CD2 3.75Å; M97-L163 HydrophobicContact CE-CG 3.67Å; M97-L163 HydrophobicContact CG-CD1 4.4Å; M97-K168 WeakPolarHBondContact CA-O 3.4Å; M97-Y169 HydrophobicContact CB-CD1 4.06Å; M97-Y169 HydrophobicContact CB-CE1 4.18Å; M97-Y169 HydrophobicContact SD-CE1 4.48Å
98Y98.3Very high95.2Very high24 Ų2449.2 Ų49.29%0.09426%0.257CS..EExtended strand (participates in β ladder)trans-148.9155.1177.169-75.1000111.4V38 F45 I49 Q100 G167 K168 V170V38-Y98 HydrophobicContact CB-CE2 3.94Å; V38-Y98 HydrophobicContact CG1-CD2 4.38Å; V38-Y98 HydrophobicContact CG1-CE2 3.9Å; V38-Y98 HydrophobicContact CG2-CD2 4.02Å; V38-Y98 HydrophobicContact CG2-CE2 3.54Å; F45-Y98 HydrophobicContact CD1-CD1 4.19Å; F45-Y98 HydrophobicContact CD1-CD2 4.01Å; F45-Y98 AromaticContact CD1-CG 3.78Å; F45-Y98 HydrophobicContact CD1-CG 3.78Å; F45-Y98 AromaticContact CE1-CD1 3.88Å; F45-Y98 HydrophobicContact CE1-CD1 3.88Å; F45-Y98 HydrophobicContact CE1-CD2 4.49Å; F45-Y98 HydrophobicContact CE1-CE1 4.39Å; F45-Y98 AromaticContact CE1-CG 3.94Å; F45-Y98 HydrophobicContact CE1-CG 3.94Å; I49-Y98 CarbonylContact O-C 3.57Å; I49-Y98 VanDerWaalsContact O-CA 3.23Å; I49-Y98 WeakPolarHBondContact O-CA 3.3Å; I49-Y98 WeakPolarHBondContact O-CB 3.36Å; Y98-Q100 HydrophobicContact CD2-CB 4.36Å; Y98-Q100 HydrophobicContact CE2-CB 4.38Å; Y98-G167 CarbonylContact O-C 3.57Å; Y98-G167 WeakPolarHBondContact O-CA 3.21Å; Y98-K168 HydrophobicContact CD1-CG 4.12Å; Y98-K168 WeakPolarHBondContact CD1-O 3.37Å; Y98-K168 HydrophobicContact CD2-CG 4.39Å; Y98-K168 HydrophobicContact CE1-CD 4.04Å; Y98-K168 HydrophobicContact CE1-CG 3.72Å; Y98-K168 HydrophobicContact CE2-CD 3.92Å; Y98-K168 HydrophobicContact CE2-CG 4.03Å; Y98-K168 VanDerWaalsContact CE2-NZ 3.3Å; Y98-K168 HydrophobicContact CG-CG 4.43Å; Y98-K168 PolarHBondContact N-O 3.31Å; Y98-K168 WeakPolarHBondContact O-CG 3.32Å; Y98-K168 PolarHBondContact O-N 3.12Å; Y98-K168 WeakPolarHBondContact OH-CD 3.47Å; Y98-K168 WeakPolarHBondContact OH-CE 3.5Å; Y98-K168 PolarHBondContact OH-NZ 3.24Å; Y98-V170 HydrophobicContact CD1-CG2 3.81Å; Y98-V170 HydrophobicContact CE1-CG2 4.15Å
99Y98.2Very high95.1Very high27 Ų2751.2 Ų51.211%0.10626%0.261CS..EExtended strand (participates in β ladder)trans-123.2115.7168.6169.5-110000108.6S48 I49 P101 F148 L162 H166S48-Y99 WeakPolarHBondContact CA-O 3.48Å; S48-Y99 WeakPolarHBondContact CB-O 3.43Å; I49-Y99 HydrophobicContact CD1-CD1 4.26Å; I49-Y99 HydrophobicContact CG1-CD1 4.09Å; I49-Y99 HydrophobicContact CG1-CG 4.47Å; I49-Y99 PolarHBondContact N-O 3.46Å; I49-Y99 PolarHBondContact O-N 2.94Å; Y99-P101 HydrophobicContact CD1-CG 4.23Å; Y99-P101 HydrophobicContact CE1-CB 4.12Å; Y99-P101 HydrophobicContact CE1-CG 3.69Å; Y99-F148 HydrophobicContact CE1-CE1 4.33Å; Y99-F148 AromaticContact CE1-CZ 3.97Å; Y99-F148 HydrophobicContact CE1-CZ 3.97Å; Y99-L162 HydrophobicContact CD1-CD1 4.45Å; Y99-L162 HydrophobicContact CD1-CD2 3.91Å; Y99-L162 HydrophobicContact CD1-CG 4.12Å; Y99-L162 HydrophobicContact CE1-CD1 3.98Å; Y99-L162 HydrophobicContact CE1-CD2 3.81Å; Y99-L162 HydrophobicContact CE1-CG 4.09Å; Y99-H166 HydrophobicContact CD2-CB 3.65Å; Y99-H166 WeakPolarHBondContact CD2-O 3.29Å; Y99-H166 HydrophobicContact CE2-CB 3.66Å; Y99-H166 HydrophobicContact CG-CB 4.48Å
100Q97.6Very high95.1Very high43 Ų4349.2 Ų49.220%0.20125%0.251CS..  trans-103.3113.6171.3-168.9177.543.600107.7I35 E36 P46 S48 Y98I35-Q100 VanDerWaalsContact CG2-NE2 3.34Å; E36-Q100 PolarHBondContact O-NE2 2.78Å; P46-Q100 PolarHBondContact O-NE2 2.83Å; S48-Q100 WeakPolarHBondContact OG-CB 2.88Å; Y98-Q100 HydrophobicContact CD2-CB 4.36Å; Y98-Q100 HydrophobicContact CE2-CB 4.38Å
101P95.8Very high95.1Very high4 Ų452.9 Ų52.93%0.02627%0.27CS..  trans-64155.8177.5-15.929000111.7Y47 Y99 L105 I106 W112 F148Y47-P101 WeakPolarHBondContact O-CD 3.29Å; Y99-P101 HydrophobicContact CD1-CG 4.23Å; Y99-P101 HydrophobicContact CE1-CB 4.12Å; Y99-P101 HydrophobicContact CE1-CG 3.69Å; P101-L105 HydrophobicContact CB-CB 4.16Å; P101-L105 HydrophobicContact CB-CD1 4.41Å; P101-I106 HydrophobicContact CB-CG1 4.23Å; P101-W112 HydrophobicContact CG-CH2 4.46Å; P101-F148 HydrophobicContact CB-CE2 3.7Å; P101-F148 HydrophobicContact CB-CZ 3.79Å; P101-F148 HydrophobicContact CG-CE2 3.55Å; P101-F148 HydrophobicContact CG-CZ 3.59Å
102H93.8Very high95.3Very high71 Ų7150.8 Ų50.833%0.32925%0.252SS..  trans-67.1149.3169.6-166.480.4000110.7E32 R104 L105E32-H102 VanDerWaalsContact CG-CE1 3.41Å; E32-H102 WeakPolarHBondContact CG-CE1 3.39Å; E32-H102 IonicContact OE1-CE1 3.28Å; E32-H102 PolarHBondContact OE1-CE1 2.9Å; E32-H102 VanDerWaalsContact OE1-CE1 3.28Å; E32-H102 IonicContact OE1-ND1 3.46Å; E32-H102 PolarHBondContact OE1-ND1 2.85Å; H102-R104 PolarHBondContact O-N 3.19Å; H102-L105 WeakPolarHBondContact O-CB 3.47Å; H102-L105 PolarHBondContact O-N 3.13Å
103A91.6Very high95.4Very high4 Ų448.4 Ų48.43%0.03324%0.243CC..G310 helixtrans-55.9-27.1-173.100000115.7M31 I35 L105 I106M31-A103 HydrophobicContact CB-CB 4.3Å; M31-A103 HydrophobicContact CG-CB 3.87Å; M31-A103 WeakPolarHBondContact O-CB 3.27Å; I35-A103 VanDerWaalsContact CD1-CA 3.48Å; I35-A103 HydrophobicContact CD1-CB 3.61Å; I35-A103 HydrophobicContact CG1-CB 3.79Å; A103-L105 PolarHBondContact O-N 3.19Å; A103-I106 PolarHBondContact O-N 3.28Å
104R91.2Very high95.5Very high181 Ų18151.9 Ų51.968%0.68325%0.253SS*.G310 helixtrans-69.2-19.6174.878.8-167.2174.3179.4-1.8114.8M31 H102M31-R104 VanDerWaalsContact CE-CA 3.44Å; M31-R104 HydrophobicContact CE-CB 3.79Å; M31-R104 HydrophobicContact SD-CB 3.76Å; H102-R104 PolarHBondContact O-N 3.19Å
105L92.1Very high95.6Very high53 Ų5347.1 Ų47.128%0.27724%0.236SC..G310 helixtrans-93.9-7.1179.8-59179.3000112.4P101 H102 A103 F148 Q149P101-L105 HydrophobicContact CB-CB 4.16Å; P101-L105 HydrophobicContact CB-CD1 4.41Å; H102-L105 WeakPolarHBondContact O-CB 3.47Å; H102-L105 PolarHBondContact O-N 3.13Å; A103-L105 PolarHBondContact O-N 3.19Å; L105-F148 HydrophobicContact CB-CE2 3.95Å; L105-F148 HydrophobicContact CB-CZ 4.48Å; L105-Q149 HydrophobicContact CD1-CG 4.48Å; L105-Q149 HydrophobicContact CD2-CG 4.35Å
106I91Very high95.6Very high21 Ų2147 Ų4711%0.10824%0.235CC..  trans-97.9126.8179.9-55.3175.1000107I35 Y47 P101 A103 W112I35-I106 HydrophobicContact CD1-CD1 3.39Å; I35-I106 HydrophobicContact CG1-CD1 3.87Å; Y47-I106 HydrophobicContact CD1-CD1 4.26Å; Y47-I106 HydrophobicContact CD1-CG2 3.62Å; Y47-I106 HydrophobicContact CD2-CD1 4.33Å; Y47-I106 HydrophobicContact CE1-CG2 3.91Å; Y47-I106 HydrophobicContact CG-CD1 3.82Å; Y47-I106 HydrophobicContact CG-CG2 4.25Å; P101-I106 HydrophobicContact CB-CG1 4.23Å; A103-I106 PolarHBondContact O-N 3.28Å; I106-W112 HydrophobicContact CG2-CE3 4.13Å
107G89.4Confident95.7Very high49 Ų4949.7 Ų49.751%0.50525%0.254SS..  trans-67.4-157171.500000112.1
108S93Very high95.7Very high48 Ų4852.4 Ų52.434%0.33627%0.267SS..  trans-66.8157.3170.391.80000110.5E110 I111 W112S108-E110 WeakPolarHBondContact CB-OE2 3.45Å; S108-E110 PolarHBondContact O-N 2.88Å; S108-E110 PolarHBondContact OG-N 3.37Å; S108-E110 PolarHBondContact OG-OE2 2.94Å; S108-I111 PolarHBondContact O-N 3.48Å; S108-I111 WeakPolarHBondContact OG-CG1 3.41Å; S108-I111 PolarHBondContact OG-N 2.75Å; S108-I111 VanDerWaalsContact OG-N 3.16Å; S108-W112 PolarHBondContact O-N 3.07Å; S108-W112 VanDerWaalsContact O-N 3.09Å
109R94.9Very high95.7Very high93 Ų9351.3 Ų51.335%0.35126%0.262SS..Hα-helixtrans-52.2-44.7173.6-179.7-172.8-171.9143.927.8111.1S72 Y73 W112 D113S72-R109 PolarHBondContact OG-NE 2.72Å; S72-R109 PolarHBondContact OG-NH2 3.11Å; Y73-R109 VanDerWaalsContact CD1-NH2 3.34Å; Y73-R109 PolarHBondContact OH-NH2 3.13Å; R109-W112 PolarHBondContact O-N 3.38Å; R109-D113 IonicContact NE-OD2 3.18Å; R109-D113 WeakPolarHBondContact O-CB 3.34Å; R109-D113 PolarHBondContact O-N 3.2Å
110E96.9Very high95.7Very high111 Ų11150.5 Ų50.552%0.51926%0.26SS..Hα-helixtrans-64-42.5-178.3-55.571.5-152.600110.9S108 W112 N114S108-E110 WeakPolarHBondContact CB-OE2 3.45Å; S108-E110 PolarHBondContact O-N 2.88Å; S108-E110 PolarHBondContact OG-N 3.37Å; S108-E110 PolarHBondContact OG-OE2 2.94Å; E110-W112 VanDerWaalsContact C-N 3.35Å; E110-W112 PolarHBondContact O-N 3.24Å; E110-N114 WeakPolarHBondContact O-CB 3.38Å; E110-N114 PolarHBondContact O-N 3.08Å; E110-N114 PolarHBondContact O-ND2 3.42Å; E110-N114 VanDerWaalsContact O-ND2 3.08Å
111I97.2Very high95.7Very high86 Ų8653.8 Ų53.844%0.44128%0.275SS..Hα-helixtrans-61.6-45.5176.8-68.6170.4000110.6S108 A115 M146S108-I111 PolarHBondContact O-N 3.48Å; S108-I111 WeakPolarHBondContact OG-CG1 3.41Å; S108-I111 PolarHBondContact OG-N 2.75Å; S108-I111 VanDerWaalsContact OG-N 3.16Å; I111-A115 VanDerWaalsContact O-CB 3.24Å; I111-A115 WeakPolarHBondContact O-CB 3.35Å; I111-A115 PolarHBondContact O-N 3.26Å; I111-A115 VanDerWaalsContact O-N 3.12Å; I111-M146 HydrophobicContact CG2-CB 3.97Å
112W97.8Very high95.7Very high3 Ų355.8 Ų55.81%0.01129%0.287CS..Hα-helixtrans-63.8-52.1-179.8-175.7-84.3000111.9Y47 I69 A70 P101 I106 S108 R109 E110 A115 I116 F143 M146 F148Y47-W112 VanDerWaalsContact C-CZ2 3.4Å; Y47-W112 HydrophobicContact CD1-CB 4.26Å; Y47-W112 AromaticContact CD1-CD1 3.77Å; Y47-W112 AromaticContact CD1-CD2 3.8Å; Y47-W112 HydrophobicContact CD1-CD2 3.8Å; Y47-W112 HydrophobicContact CD1-CE3 4.4Å; Y47-W112 AromaticContact CD1-CG 3.68Å; Y47-W112 HydrophobicContact CD1-CG 3.68Å; Y47-W112 AromaticContact CD1-NE1 3.93Å; Y47-W112 HydrophobicContact CE1-CB 4.27Å; Y47-W112 HydrophobicContact CE1-CG 4.13Å; Y47-W112 WeakPolarHBondContact O-CH2 3.31Å; Y47-W112 WeakPolarHBondContact O-CZ2 3.39Å; I69-W112 HydrophobicContact CD1-CZ2 4.02Å; I69-W112 HydrophobicContact CG1-CZ2 4.12Å; A70-W112 PolarHBondContact O-NE1 2.86Å; P101-W112 HydrophobicContact CG-CH2 4.46Å; I106-W112 HydrophobicContact CG2-CE3 4.13Å; S108-W112 PolarHBondContact O-N 3.07Å; S108-W112 VanDerWaalsContact O-N 3.09Å; R109-W112 PolarHBondContact O-N 3.38Å; E110-W112 VanDerWaalsContact C-N 3.35Å; E110-W112 PolarHBondContact O-N 3.24Å; W112-A115 PolarHBondContact O-N 2.91Å; W112-I116 VanDerWaalsContact NE1-CD1 3.27Å; W112-I116 PolarHBondContact O-N 3.16Å; W112-F143 AromaticContact CH2-CE1 3.96Å; W112-F143 HydrophobicContact CH2-CE1 3.96Å; W112-M146 HydrophobicContact CD2-CE 3.88Å; W112-M146 HydrophobicContact CD2-SD 3.89Å; W112-M146 HydrophobicContact CE3-CE 3.93Å; W112-M146 HydrophobicContact CE3-SD 3.28Å; W112-M146 HydrophobicContact CG-CE 4.31Å; W112-M146 HydrophobicContact CH2-SD 3.99Å; W112-M146 HydrophobicContact CZ3-CE 4.29Å; W112-M146 HydrophobicContact CZ3-SD 3.35Å; W112-M146 WeakPolarHBondContact CZ3-SD 3.29Å; W112-F148 HydrophobicContact CZ3-CD2 4.17Å; W112-F148 HydrophobicContact CZ3-CE2 4.46Å
113D98.4Very high95.8Very high33 Ų3352.7 Ų52.718%0.17627%0.273CS..Hα-helixtrans-69.4-39-175.6-69.5-13.6000111.9N71 S72 R109 I116 S117N71-D113 WeakPolarHBondContact CB-OD1 3.45Å; S72-D113 WeakPolarHBondContact CB-OD1 3.4Å; S72-D113 WeakPolarHBondContact CB-OD2 3.38Å; S72-D113 PolarHBondContact N-OD1 3.34Å; S72-D113 VanDerWaalsContact OG-CG 3.32Å; S72-D113 PolarHBondContact OG-OD1 3.01Å; S72-D113 PolarHBondContact OG-OD2 3.39Å; R109-D113 IonicContact NE-OD2 3.18Å; R109-D113 WeakPolarHBondContact O-CB 3.34Å; R109-D113 PolarHBondContact O-N 3.2Å; D113-I116 PolarHBondContact O-N 2.8Å; D113-S117 WeakPolarHBondContact O-CB 3.43Å; D113-S117 PolarHBondContact O-N 3.48Å
114N98.5Very high95.9Very high108 Ų10857.2 Ų57.258%0.57829%0.291SS*.Hα-helixtrans-65.8-38.6176.3-70.4-22.4000111.8E110 I116 S117 E118E110-N114 WeakPolarHBondContact O-CB 3.38Å; E110-N114 PolarHBondContact O-N 3.08Å; E110-N114 PolarHBondContact O-ND2 3.42Å; E110-N114 VanDerWaalsContact O-ND2 3.08Å; N114-I116 VanDerWaalsContact C-N 3.33Å; N114-I116 PolarHBondContact O-N 3.29Å; N114-S117 PolarHBondContact O-N 2.86Å; N114-E118 WeakPolarHBondContact O-CB 3.34Å; N114-E118 PolarHBondContact O-N 3.33Å
115A98.5Very high95.8Very high2 Ų251.3 Ų51.32%0.01729%0.287CS..Hα-helixtrans-64.3-37.9176.700000112.5I111 W112 A119 K145 M146I111-A115 VanDerWaalsContact O-CB 3.24Å; I111-A115 WeakPolarHBondContact O-CB 3.35Å; I111-A115 PolarHBondContact O-N 3.26Å; I111-A115 VanDerWaalsContact O-N 3.12Å; W112-A115 PolarHBondContact O-N 2.91Å; A115-A119 WeakPolarHBondContact O-CB 3.33Å; A115-A119 PolarHBondContact O-N 3.26Å; A115-K145 HydrophobicContact CB-CB 3.84Å; A115-K145 HydrophobicContact CB-CG 3.85Å; A115-M146 HydrophobicContact CB-CB 3.66Å; A115-M146 HydrophobicContact CB-CE 3.76Å; A115-M146 HydrophobicContact CB-CG 4.48Å
116I98.6Very high95.7Very high3 Ų352.8 Ų52.82%0.01529%0.289CS..Hα-helixtrans-68.1-46173.5-67.8170.9000110.5I69 A70 N71 Y77 W112 D113 N114 E118 A119 N120 A142 M146I69-I116 HydrophobicContact CD1-CD1 3.99Å; I69-I116 HydrophobicContact CD1-CG1 3.9Å; I69-I116 HydrophobicContact CG1-CD1 3.81Å; I69-I116 HydrophobicContact CG1-CG1 4.15Å; I69-I116 HydrophobicContact CG2-CD1 4.27Å; I69-I116 HydrophobicContact CG2-CG1 4.04Å; I69-I116 HydrophobicContact CG2-CG2 4.31Å; A70-I116 WeakPolarHBondContact O-CD1 3.27Å; N71-I116 HydrophobicContact CB-CD1 4.32Å; Y77-I116 HydrophobicContact CD2-CG2 3.78Å; Y77-I116 HydrophobicContact CE2-CG2 4.39Å; Y77-I116 HydrophobicContact CG-CG2 4.18Å; W112-I116 VanDerWaalsContact NE1-CD1 3.27Å; W112-I116 PolarHBondContact O-N 3.16Å; D113-I116 PolarHBondContact O-N 2.8Å; N114-I116 VanDerWaalsContact C-N 3.33Å; N114-I116 PolarHBondContact O-N 3.29Å; I116-E118 VanDerWaalsContact C-N 3.32Å; I116-E118 PolarHBondContact O-N 2.55Å; I116-A119 PolarHBondContact O-N 2.98Å; I116-N120 WeakPolarHBondContact O-CB 3.18Å; I116-N120 PolarHBondContact O-N 2.97Å; I116-N120 PolarHBondContact O-OD1 2.94Å; I116-A142 HydrophobicContact CG1-CB 4.36Å; I116-M146 HydrophobicContact CG1-CE 4.21Å
117S98.5Very high95.2Very high65 Ų6555 Ų5546%0.45530%0.303SS..Hα-helixtrans-57.7-45.4177.7-1800000111.5D113 N114 N120 E121D113-S117 WeakPolarHBondContact O-CB 3.43Å; D113-S117 PolarHBondContact O-N 3.48Å; N114-S117 PolarHBondContact O-N 2.86Å; S117-N120 WeakPolarHBondContact O-CB 3.42Å; S117-N120 PolarHBondContact O-N 3.05Å; S117-E121 PolarHBondContact O-N 2.88Å
118E98.3Very high94.1Very high72 Ų7254.8 Ų54.834%0.33629%0.289SS..Hα-helixtrans-62-46.1175-178.3172.9140.900112N114 I116 N120 E121 V122 K145N114-E118 WeakPolarHBondContact O-CB 3.34Å; N114-E118 PolarHBondContact O-N 3.33Å; I116-E118 VanDerWaalsContact C-N 3.32Å; I116-E118 PolarHBondContact O-N 2.55Å; E118-N120 VanDerWaalsContact C-N 3.26Å; E118-N120 PolarHBondContact O-N 2.86Å; E118-E121 PolarHBondContact O-N 2.8Å; E118-V122 WeakPolarHBondContact O-CG2 3.45Å; E118-V122 PolarHBondContact O-N 2.83Å; E118-K145 VanDerWaalsContact CD-CE 3.42Å; E118-K145 VanDerWaalsContact OE1-CD 3.29Å; E118-K145 WeakPolarHBondContact OE1-CD 3.2Å; E118-K145 VanDerWaalsContact OE1-CE 3.29Å; E118-K145 WeakPolarHBondContact OE1-CE 3.24Å; E118-K145 IonicContact OE1-NZ 3.02Å; E118-K145 PolarHBondContact OE1-NZ 2.91Å; E118-K145 WeakPolarHBondContact OE2-CE 3.26Å; E118-K145 IonicContact OE2-NZ 3.51Å; E118-K145 PolarHBondContact OE2-NZ 2.93Å
119A98.2Very high93.2Very high0 Ų056.5 Ų56.50%029%0.294CS..Hα-helixtrans-59.2-39.4176.300000111.8A115 I116 V122 Y123 A142A115-A119 WeakPolarHBondContact O-CB 3.33Å; A115-A119 PolarHBondContact O-N 3.26Å; I116-A119 PolarHBondContact O-N 2.98Å; A119-V122 PolarHBondContact O-N 2.96Å; A119-Y123 WeakPolarHBondContact O-CB 3.04Å; A119-Y123 VanDerWaalsContact O-CD2 3.28Å; A119-Y123 WeakPolarHBondContact O-CD2 3.49Å; A119-Y123 PolarHBondContact O-N 3.22Å; A119-A142 HydrophobicContact CB-CB 3.84Å
120N98Very high91.9Very high10 Ų1056.9 Ų56.95%0.05330%0.303CS..Hα-helixtrans-62.6-47.2176-66.8-12.9000111.3Y77 I85 I116 S117 E118 V122 Y123 K124 H138Y77-N120 WeakPolarHBondContact CD1-ND2 3.42Å; I85-N120 HydrophobicContact CG1-CB 4.21Å; I85-N120 HydrophobicContact CG2-CB 4.3Å; I116-N120 WeakPolarHBondContact O-CB 3.18Å; I116-N120 PolarHBondContact O-N 2.97Å; I116-N120 PolarHBondContact O-OD1 2.94Å; S117-N120 WeakPolarHBondContact O-CB 3.42Å; S117-N120 PolarHBondContact O-N 3.05Å; E118-N120 VanDerWaalsContact C-N 3.26Å; E118-N120 PolarHBondContact O-N 2.86Å; N120-V122 VanDerWaalsContact C-N 3.33Å; N120-V122 PolarHBondContact O-N 2.97Å; N120-Y123 PolarHBondContact O-N 2.93Å; N120-K124 WeakPolarHBondContact O-CB 3.45Å; N120-K124 VanDerWaalsContact O-CG 3.24Å; N120-K124 WeakPolarHBondContact O-CG 3.4Å; N120-K124 PolarHBondContact O-N 2.81Å; N120-H138 PolarHBondContact OD1-NE2 2.95Å
121E97.6Very high90.6Very high112 Ų11259.4 Ų59.452%0.52331%0.313SS..Hα-helixtrans-62-40.2177.6-66.8-49.9120.700112.4S117 E118 K124S117-E121 PolarHBondContact O-N 2.88Å; E118-E121 PolarHBondContact O-N 2.8Å; E121-K124 IonicContact OE1-NZ 3.76Å; E121-K124 PolarHBondContact OE1-NZ 3.13Å
122V96.1Very high89.2Confident47 Ų4760 Ų6029%0.28532%0.324SS..Hα-helixtrans-63-46.7176169.60000111.3E118 A119 N120 G125 R126E118-V122 WeakPolarHBondContact O-CG2 3.45Å; E118-V122 PolarHBondContact O-N 2.83Å; A119-V122 PolarHBondContact O-N 2.96Å; N120-V122 VanDerWaalsContact C-N 3.33Å; N120-V122 PolarHBondContact O-N 2.97Å; V122-G125 PolarHBondContact O-N 3.02Å; V122-R126 VanDerWaalsContact CG1-NE 3.28Å; V122-R126 WeakPolarHBondContact O-CG 3.38Å
123Y95.1Very high88.4Confident6 Ų661.3 Ų61.32%0.02433%0.331CS..Hα-helixtrans-82.4-18.7-173.8-82.1-98.7000114F79 A119 N120 G125 R126 D133 S137 H138 H141F79-Y123 HydrophobicContact CB-CD1 4.43Å; F79-Y123 AromaticContact CD1-CD1 3.5Å; F79-Y123 HydrophobicContact CD1-CD1 3.5Å; F79-Y123 HydrophobicContact CD1-CE1 4.06Å; F79-Y123 HydrophobicContact CD2-CD1 4.36Å; F79-Y123 AromaticContact CE1-CD1 3.67Å; F79-Y123 HydrophobicContact CE1-CD1 3.67Å; F79-Y123 HydrophobicContact CE1-CE1 4.21Å; F79-Y123 HydrophobicContact CE2-CD1 4.48Å; F79-Y123 WeakPolarHBondContact CE2-O 3.49Å; F79-Y123 AromaticContact CG-CD1 3.88Å; F79-Y123 HydrophobicContact CG-CD1 3.88Å; F79-Y123 HydrophobicContact CZ-CD1 4.16Å; A119-Y123 WeakPolarHBondContact O-CB 3.04Å; A119-Y123 VanDerWaalsContact O-CD2 3.28Å; A119-Y123 WeakPolarHBondContact O-CD2 3.49Å; A119-Y123 PolarHBondContact O-N 3.22Å; N120-Y123 PolarHBondContact O-N 2.93Å; Y123-G125 PolarHBondContact O-N 2.85Å; Y123-R126 HydrophobicContact CD1-CB 4.42Å; Y123-R126 PolarHBondContact O-N 2.83Å; Y123-R126 VanDerWaalsContact O-N 3.16Å; Y123-R126 PolarHBondContact OH-NH1 3.26Å; Y123-D133 VanDerWaalsContact CE1-OD1 3.22Å; Y123-D133 WeakPolarHBondContact CE1-OD1 3.46Å; Y123-D133 PolarHBondContact OH-OD1 3.14Å; Y123-S137 WeakPolarHBondContact OH-CB 3.46Å; Y123-S137 PolarHBondContact OH-O 3.28Å; Y123-H138 HydrophobicContact CD1-CB 3.88Å; Y123-H138 HydrophobicContact CD2-CB 4.1Å; Y123-H138 AromaticContact CD2-CD2 3.89Å; Y123-H138 HydrophobicContact CE1-CB 3.94Å; Y123-H138 HydrophobicContact CE2-CB 4.16Å; Y123-H138 HydrophobicContact CG-CB 3.95Å; Y123-H138 AromaticContact CG-CD2 3.95Å; Y123-H138 VanDerWaalsContact CZ-CA 3.47Å; Y123-H138 PolarHBondContact OH-N 3.18Å; Y123-H141 HydrophobicContact CE2-CB 3.74Å
124K94.1Very high88.1Confident98 Ų9860.8 Ų60.843%0.42633%0.328SS..Hα-helixtrans-58-27.1162-78172.4-174.7173.80112.2Y83 I85 N120 E121Y83-K124 WeakPolarHBondContact CA-O 3.39Å; Y83-K124 VanDerWaalsContact CB-O 3.26Å; Y83-K124 WeakPolarHBondContact CB-O 3.42Å; I85-K124 HydrophobicContact CG1-CG 3.8Å; N120-K124 WeakPolarHBondContact O-CB 3.45Å; N120-K124 VanDerWaalsContact O-CG 3.24Å; N120-K124 WeakPolarHBondContact O-CG 3.4Å; N120-K124 PolarHBondContact O-N 2.81Å; E121-K124 IonicContact OE1-NZ 3.76Å; E121-K124 PolarHBondContact OE1-NZ 3.13Å
125G89.9Confident87.9Confident58 Ų5855.9 Ų55.960%0.59830%0.302SS*.THydrogen-bonded Turntrans-91.4-0.9176.900000115.4V122 Y123V122-G125 PolarHBondContact O-N 3.02Å; Y123-G125 PolarHBondContact O-N 2.85Å
126R89Confident87.8Confident83 Ų8356.8 Ų56.831%0.31331%0.306SS..SBendtrans-106.6145.7-170.8-71.3179.2178.1-1515.3113.7F79 Y83 V122 Y123 D133F79-R126 HydrophobicContact CZ-CB 4.29Å; F79-R126 WeakPolarHBondContact CZ-O 3.12Å; Y83-R126 WeakPolarHBondContact CD1-O 3.23Å; Y83-R126 PolarHBondContact N-O 3.27Å; V122-R126 VanDerWaalsContact CG1-NE 3.28Å; V122-R126 WeakPolarHBondContact O-CG 3.38Å; Y123-R126 HydrophobicContact CD1-CB 4.42Å; Y123-R126 PolarHBondContact O-N 2.83Å; Y123-R126 VanDerWaalsContact O-N 3.16Å; Y123-R126 PolarHBondContact OH-NH1 3.26Å; R126-D133 WeakPolarHBondContact CD-OD2 3.45Å; R126-D133 IonicContact NH1-OD1 2.7Å; R126-D133 PolarHBondContact NH1-OD1 3.34Å; R126-D133 IonicContact NH1-OD2 2.75Å
127V81.1Confident87.7Confident67 Ų6757.4 Ų57.441%0.40631%0.31SS..  trans-75.7123.8168.5178.20000108.8Y83 N129Y83-V127 HydrophobicContact CE1-CG2 4.09Å; Y83-V127 HydrophobicContact CE2-CG2 4.43Å; Y83-V127 WeakPolarHBondContact OH-CG2 3.41Å; V127-N129 PolarHBondContact O-N 3.14Å
128H65.4Low87.7Confident46 Ų4654.3 Ų54.321%0.21329%0.289CS..  trans-74.9116.1175.9-176.1-76.4000110.5F79 P82F79-H128 HydrophobicContact CD1-CB 4.46Å; F79-H128 AromaticContact CD1-CD2 3.41Å; F79-H128 VanDerWaalsContact CD1-CD2 3.41Å; F79-H128 WeakPolarHBondContact CD1-CD2 3.41Å; F79-H128 HydrophobicContact CE1-CB 3.61Å; F79-H128 AromaticContact CE1-CD2 3.41Å; F79-H128 VanDerWaalsContact CE1-CD2 3.41Å; F79-H128 WeakPolarHBondContact CE1-CD2 3.39Å; F79-H128 AromaticContact CE1-CG 3.81Å; F79-H128 HydrophobicContact CE2-CB 4.18Å; F79-H128 AromaticContact CG-CD2 3.97Å; F79-H128 HydrophobicContact CZ-CB 3.45Å; F79-H128 VanDerWaalsContact CZ-CB 3.45Å; F79-H128 AromaticContact CZ-CD2 3.99Å; P82-H128 HydrophobicContact CB-CB 4.22Å; P82-H128 HydrophobicContact CG-CB 3.79Å
129N75Confident87.7Confident83 Ų8350.9 Ų50.944%0.44427%0.273SS..BIsolated β-bridgetrans-113.6124.1174.7-69.8-56.1000109.6V127 F131 C132 D133V127-N129 PolarHBondContact O-N 3.14Å; N129-F131 PolarHBondContact O-N 3.1Å; N129-C132 PolarHBondContact O-N 3.25Å; N129-D133 PolarHBondContact N-O 3.23Å; N129-D133 CarbonylContact O-C 3.54Å; N129-D133 PolarHBondContact O-N 3.02Å
130L68.4Low87.7Confident102 Ų10251 Ų5153%0.53427%0.274SS..THydrogen-bonded Turntrans-50.1-38.1-173.7-172.863.2000113.6N134L130-N134 PolarHBondContact O-ND2 3.44Å
131F68Low87.7Confident164 Ų16452.8 Ų52.872%0.71928%0.282SS*.THydrogen-bonded Turntrans-100.4-25.4-171.7-62.9-69.7000116.2N129N129-F131 PolarHBondContact O-N 3.1Å
132C67.8Low87.7Confident99 Ų9947.4 Ų47.467%0.66926%0.257SS*.THydrogen-bonded Turntrans-126.6-24.1-165.7-60.80000115.2N129N129-C132 PolarHBondContact O-N 3.25Å
133D82.1Confident87.9Confident30 Ų3045.2 Ų45.216%0.1624%0.243CC..BIsolated β-bridgetrans-149.188.1-179.5-166.531.8000108.2Y123 R126 N129Y123-D133 VanDerWaalsContact CE1-OD1 3.22Å; Y123-D133 WeakPolarHBondContact CE1-OD1 3.46Å; Y123-D133 PolarHBondContact OH-OD1 3.14Å; R126-D133 WeakPolarHBondContact CD-OD2 3.45Å; R126-D133 IonicContact NH1-OD1 2.7Å; R126-D133 PolarHBondContact NH1-OD1 3.34Å; R126-D133 IonicContact NH1-OD2 2.75Å; N129-D133 PolarHBondContact N-O 3.23Å; N129-D133 CarbonylContact O-C 3.54Å; N129-D133 PolarHBondContact O-N 3.02Å
134N91.1Very high88Confident21 Ų2146.8 Ų46.811%0.11225%0.252CS..SBendtrans-134.6-171.2-169.163.924.2000110.9L130 H136 S137 H138L130-N134 PolarHBondContact O-ND2 3.44Å; N134-H136 VanDerWaalsContact C-N 3.25Å; N134-H136 PolarHBondContact O-N 3.36Å; N134-H136 WeakPolarHBondContact OD1-CB 3.39Å; N134-H136 PolarHBondContact OD1-N 3.11Å; N134-S137 WeakPolarHBondContact O-CA 3.12Å; N134-S137 WeakPolarHBondContact O-CB 3.49Å; N134-S137 PolarHBondContact O-N 3.38Å; N134-S137 PolarHBondContact OD1-N 3.09Å; N134-H138 PolarHBondContact O-N 3.37Å; N134-H138 VanDerWaalsContact O-N 3.13Å
135C95.4Very high88.2Confident6 Ų647 Ų474%0.04125%0.253CS..Hα-helixtrans-54.8-32.517960.10000115.3H66 M67 F79 S137 H138 V139H66-C135 VanDerWaalsContact CE1-CB 3.47Å; H66-C135 WeakPolarHBondContact CE1-CB 3.44Å; H66-C135 PolarHBondContact ND1-SG 3.06Å; M67-C135 PolarHBondContact N-SG 3.26Å; M67-C135 WeakPolarHBondContact O-CB 3.22Å; F79-C135 HydrophobicContact CB-CB 4.42Å; C135-S137 VanDerWaalsContact C-N 3.32Å; C135-S137 PolarHBondContact O-N 3.41Å; C135-H138 WeakPolarHBondContact O-CB 3.28Å; C135-H138 PolarHBondContact O-N 3.25Å; C135-V139 PolarHBondContact O-N 3.2Å; C135-V139 VanDerWaalsContact O-N 3.16Å
136H96.5Very high88.6Confident20 Ų2045 Ų459%0.09323%0.228CC..Hα-helixtrans-70-32.9174.9-67.3-111.4000111.6G65 M67 N134 A140 M156 V159G65-H136 PolarHBondContact O-NE2 2.88Å; M67-H136 WeakPolarHBondContact CE-ND1 3.33Å; N134-H136 VanDerWaalsContact C-N 3.25Å; N134-H136 PolarHBondContact O-N 3.36Å; N134-H136 WeakPolarHBondContact OD1-CB 3.39Å; N134-H136 PolarHBondContact OD1-N 3.11Å; H136-A140 VanDerWaalsContact O-CB 3.27Å; H136-A140 WeakPolarHBondContact O-CB 3.5Å; H136-A140 PolarHBondContact O-N 3.34Å; H136-M156 HydrophobicContact CB-CB 3.62Å; H136-V159 HydrophobicContact CB-CG2 3.9Å; H136-V159 WeakPolarHBondContact O-CG2 3.33Å
137S96.8Very high89Confident16 Ų1647.6 Ų47.611%0.11224%0.238CC..Hα-helixtrans-69.8-37176-55.40000111.2Y123 N134 C135 A140 H141Y123-S137 WeakPolarHBondContact OH-CB 3.46Å; Y123-S137 PolarHBondContact OH-O 3.28Å; N134-S137 WeakPolarHBondContact O-CA 3.12Å; N134-S137 WeakPolarHBondContact O-CB 3.49Å; N134-S137 PolarHBondContact O-N 3.38Å; N134-S137 PolarHBondContact OD1-N 3.09Å; C135-S137 VanDerWaalsContact C-N 3.32Å; C135-S137 PolarHBondContact O-N 3.41Å; S137-A140 PolarHBondContact O-N 3.13Å; S137-H141 WeakPolarHBondContact O-CB 3.45Å; S137-H141 PolarHBondContact O-N 3.38Å
138H97.5Very high89.7Confident0 Ų044.5 Ų44.50%022%0.219CC..Hα-helixtrans-59.3-50.3172.6165.5-107.2000111.8F79 N120 Y123 N134 C135 A140 H141 A142F79-H138 HydrophobicContact CB-CB 3.84Å; N120-H138 PolarHBondContact OD1-NE2 2.95Å; Y123-H138 HydrophobicContact CD1-CB 3.88Å; Y123-H138 HydrophobicContact CD2-CB 4.1Å; Y123-H138 AromaticContact CD2-CD2 3.89Å; Y123-H138 HydrophobicContact CE1-CB 3.94Å; Y123-H138 HydrophobicContact CE2-CB 4.16Å; Y123-H138 HydrophobicContact CG-CB 3.95Å; Y123-H138 AromaticContact CG-CD2 3.95Å; Y123-H138 VanDerWaalsContact CZ-CA 3.47Å; Y123-H138 PolarHBondContact OH-N 3.18Å; N134-H138 PolarHBondContact O-N 3.37Å; N134-H138 VanDerWaalsContact O-N 3.13Å; C135-H138 WeakPolarHBondContact O-CB 3.28Å; C135-H138 PolarHBondContact O-N 3.25Å; H138-A140 PolarHBondContact O-N 3.31Å; H138-H141 WeakPolarHBondContact O-CB 3.46Å; H138-H141 PolarHBondContact O-N 2.88Å; H138-A142 PolarHBondContact O-N 3.5Å; H138-A142 VanDerWaalsContact O-N 3.07Å
139V98.4Very high91.1Very high0 Ų044.9 Ų44.90%022%0.221CC..Hα-helixtrans-62.8-43.8176.1175.60000111.9I49 M67 I69 C135 H141 A142 F143 V159I49-V139 HydrophobicContact CB-CG1 4.4Å; I49-V139 HydrophobicContact CG2-CG1 3.48Å; I49-V139 VanDerWaalsContact CG2-CG1 3.48Å; M67-V139 HydrophobicContact CB-CG2 4.39Å; M67-V139 HydrophobicContact CG-CG2 3.86Å; M67-V139 HydrophobicContact SD-CB 3.84Å; M67-V139 HydrophobicContact SD-CG1 3.78Å; M67-V139 HydrophobicContact SD-CG2 3.87Å; I69-V139 HydrophobicContact CB-CG1 4.47Å; I69-V139 HydrophobicContact CB-CG2 4.05Å; I69-V139 HydrophobicContact CG2-CG2 4.35Å; C135-V139 PolarHBondContact O-N 3.2Å; C135-V139 VanDerWaalsContact O-N 3.16Å; V139-H141 VanDerWaalsContact C-N 3.29Å; V139-H141 PolarHBondContact O-N 2.93Å; V139-A142 PolarHBondContact O-N 3.4Å; V139-F143 HydrophobicContact CG1-CD1 4.49Å; V139-F143 HydrophobicContact CG1-CE1 4.4Å; V139-F143 HydrophobicContact CG1-CZ 4.47Å; V139-F143 PolarHBondContact O-N 3.2Å; V139-V159 HydrophobicContact CG1-CB 4.5Å; V139-V159 HydrophobicContact CG1-CG1 4.3Å
140A98.2Very high92.1Very high3 Ų347.7 Ų47.73%0.02524%0.236CC..Hα-helixtrans-60.4-38.9176.600000112.4H136 S137 H138 F143 N144 W154 V159H136-A140 VanDerWaalsContact O-CB 3.27Å; H136-A140 WeakPolarHBondContact O-CB 3.5Å; H136-A140 PolarHBondContact O-N 3.34Å; S137-A140 PolarHBondContact O-N 3.13Å; H138-A140 PolarHBondContact O-N 3.31Å; A140-F143 PolarHBondContact O-N 2.85Å; A140-N144 VanDerWaalsContact O-CG 3.25Å; A140-N144 PolarHBondContact O-N 2.97Å; A140-N144 PolarHBondContact O-ND2 3Å; A140-W154 HydrophobicContact CB-CB 4.14Å; A140-V159 HydrophobicContact CB-CG1 3.93Å; A140-V159 HydrophobicContact CB-CG2 4.46Å
141H98.2Very high93.4Very high47 Ų4747 Ų4722%0.21823%0.229CC..Hα-helixtrans-63.9-45.6176.2-172.184.6000111.7Y123 S137 H138 V139 F143 N144 K145Y123-H141 HydrophobicContact CE2-CB 3.74Å; S137-H141 WeakPolarHBondContact O-CB 3.45Å; S137-H141 PolarHBondContact O-N 3.38Å; H138-H141 WeakPolarHBondContact O-CB 3.46Å; H138-H141 PolarHBondContact O-N 2.88Å; V139-H141 VanDerWaalsContact C-N 3.29Å; V139-H141 PolarHBondContact O-N 2.93Å; H141-F143 VanDerWaalsContact C-N 3.34Å; H141-F143 PolarHBondContact O-N 3.26Å; H141-N144 PolarHBondContact O-N 3.2Å; H141-K145 PolarHBondContact O-N 3.47Å
142A98.6Very high94.8Very high0 Ų044.5 Ų44.50%022%0.219CC..Hα-helixtrans-58.7-46.2174.200000111.2I69 I116 A119 H138 V139 N144 K145 M146I69-A142 HydrophobicContact CD1-CB 3.91Å; I116-A142 HydrophobicContact CG1-CB 4.36Å; A119-A142 HydrophobicContact CB-CB 3.84Å; H138-A142 PolarHBondContact O-N 3.5Å; H138-A142 VanDerWaalsContact O-N 3.07Å; V139-A142 PolarHBondContact O-N 3.4Å; A142-N144 PolarHBondContact O-N 3.33Å; A142-K145 PolarHBondContact O-N 2.81Å; A142-K145 VanDerWaalsContact O-N 3.11Å; A142-M146 HydrophobicContact CB-CE 4.18Å; A142-M146 WeakPolarHBondContact O-CE 3.4Å; A142-M146 VanDerWaalsContact O-CG 3.31Å; A142-M146 WeakPolarHBondContact O-CG 3.45Å; A142-M146 PolarHBondContact O-N 2.86Å
143F98.5Very high96.3Very high1 Ų145.4 Ų45.40%0.00422%0.218CC..Hα-helixtrans-60.2-40.7177.6-84.513.2000113.5I49 I69 W112 V139 A140 H141 K145 M146 R147 F148 W154 V159 L162I49-F143 HydrophobicContact CD1-CE2 4.48Å; I49-F143 HydrophobicContact CD1-CZ 4.34Å; I49-F143 HydrophobicContact CG2-CE1 3.63Å; I49-F143 HydrophobicContact CG2-CE2 4.28Å; I49-F143 HydrophobicContact CG2-CZ 3.36Å; I69-F143 HydrophobicContact CD1-CD1 3.84Å; I69-F143 HydrophobicContact CD1-CE1 3.64Å; W112-F143 AromaticContact CH2-CE1 3.96Å; W112-F143 HydrophobicContact CH2-CE1 3.96Å; V139-F143 HydrophobicContact CG1-CD1 4.49Å; V139-F143 HydrophobicContact CG1-CE1 4.4Å; V139-F143 HydrophobicContact CG1-CZ 4.47Å; V139-F143 PolarHBondContact O-N 3.2Å; A140-F143 PolarHBondContact O-N 2.85Å; H141-F143 VanDerWaalsContact C-N 3.34Å; H141-F143 PolarHBondContact O-N 3.26Å; F143-K145 VanDerWaalsContact C-N 3.34Å; F143-M146 HydrophobicContact CD1-CE 4.37Å; F143-M146 HydrophobicContact CD1-SD 3.8Å; F143-M146 HydrophobicContact CE1-SD 4.27Å; F143-M146 WeakPolarHBondContact O-CG 3.47Å; F143-R147 PolarHBondContact O-N 2.96Å; F143-R147 VanDerWaalsContact O-N 3.14Å; F143-F148 HydrophobicContact CB-CB 4.08Å; F143-F148 HydrophobicContact CD1-CB 4.28Å; F143-F148 HydrophobicContact CD1-CG 4.42Å; F143-F148 HydrophobicContact CD2-CB 4.32Å; F143-F148 AromaticContact CD2-CD1 3.6Å; F143-F148 HydrophobicContact CD2-CD1 3.6Å; F143-F148 HydrophobicContact CD2-CE1 4.32Å; F143-F148 HydrophobicContact CD2-CG 4.22Å; F143-F148 HydrophobicContact CE1-CD1 4.45Å; F143-F148 HydrophobicContact CE1-CG 4.48Å; F143-F148 AromaticContact CE2-CD1 3.54Å; F143-F148 HydrophobicContact CE2-CD1 3.54Å; F143-F148 AromaticContact CE2-CE1 3.81Å; F143-F148 HydrophobicContact CE2-CE1 3.81Å; F143-F148 HydrophobicContact CE2-CG 4.31Å; F143-F148 HydrophobicContact CG-CB 4Å; F143-F148 HydrophobicContact CG-CD1 4.11Å; F143-F148 HydrophobicContact CG-CG 4.27Å; F143-F148 AromaticContact CZ-CD1 3.97Å; F143-F148 HydrophobicContact CZ-CD1 3.97Å; F143-F148 HydrophobicContact CZ-CE1 4.12Å; F143-F148 HydrophobicContact CZ-CG 4.42Å; F143-F148 PolarHBondContact O-N 2.87Å; F143-W154 HydrophobicContact CB-CB 4.08Å; F143-W154 HydrophobicContact CB-CD2 4.3Å; F143-W154 HydrophobicContact CB-CG 3.75Å; F143-W154 AromaticContact CD2-CD2 3.81Å; F143-W154 HydrophobicContact CD2-CD2 3.81Å; F143-W154 AromaticContact CD2-CE2 3.99Å; F143-W154 HydrophobicContact CD2-CE3 4.05Å; F143-W154 HydrophobicContact CD2-CG 4.14Å; F143-W154 HydrophobicContact CD2-CZ2 4.43Å; F143-W154 HydrophobicContact CD2-CZ3 4.47Å; F143-W154 HydrophobicContact CG-CG 4.5Å; F143-V159 HydrophobicContact CD2-CG1 3.95Å; F143-V159 HydrophobicContact CE2-CG1 4.35Å; F143-L162 HydrophobicContact CE2-CD2 3.68Å; F143-L162 HydrophobicContact CZ-CD2 4.41Å
144N98.6Very high97Very high38 Ų3845 Ų4520%0.20321%0.214CC..Hα-helixtrans-63.1-42.9173.6-69.8-26000111.3A140 H141 A142 M146 R147 E152 N153 W154A140-N144 VanDerWaalsContact O-CG 3.25Å; A140-N144 PolarHBondContact O-N 2.97Å; A140-N144 PolarHBondContact O-ND2 3Å; H141-N144 PolarHBondContact O-N 3.2Å; A142-N144 PolarHBondContact O-N 3.33Å; N144-M146 PolarHBondContact O-N 3.41Å; N144-R147 PolarHBondContact O-N 3.03Å; N144-R147 VanDerWaalsContact O-N 3.17Å; N144-E152 VanDerWaalsContact CG-C 3.46Å; N144-E152 VanDerWaalsContact CG-O 3.22Å; N144-E152 WeakPolarHBondContact OD1-CA 3.41Å; N144-E152 PolarHBondContact OD1-O 2.82Å; N144-E152 VanDerWaalsContact OD1-O 3.08Å; N144-N153 PolarHBondContact OD1-N 3.16Å; N144-N153 VanDerWaalsContact OD1-N 3.13Å; N144-W154 PolarHBondContact ND2-O 3.05Å; N144-W154 WeakPolarHBondContact OD1-CA 3.42Å; N144-W154 WeakPolarHBondContact OD1-CB 3.16Å; N144-W154 PolarHBondContact OD1-N 3.21Å
145K98.2Very high97.3Very high103 Ų10347.7 Ų47.745%0.44823%0.228SC..Hα-helixtrans-66.9-37.1-177.6-173.560.3-177.4-138.50113.1A115 E118 H141 A142 F143 R147A115-K145 HydrophobicContact CB-CB 3.84Å; A115-K145 HydrophobicContact CB-CG 3.85Å; E118-K145 VanDerWaalsContact CD-CE 3.42Å; E118-K145 VanDerWaalsContact OE1-CD 3.29Å; E118-K145 WeakPolarHBondContact OE1-CD 3.2Å; E118-K145 VanDerWaalsContact OE1-CE 3.29Å; E118-K145 WeakPolarHBondContact OE1-CE 3.24Å; E118-K145 IonicContact OE1-NZ 3.02Å; E118-K145 PolarHBondContact OE1-NZ 2.91Å; E118-K145 WeakPolarHBondContact OE2-CE 3.26Å; E118-K145 IonicContact OE2-NZ 3.51Å; E118-K145 PolarHBondContact OE2-NZ 2.93Å; H141-K145 PolarHBondContact O-N 3.47Å; A142-K145 PolarHBondContact O-N 2.81Å; A142-K145 VanDerWaalsContact O-N 3.11Å; F143-K145 VanDerWaalsContact C-N 3.34Å; K145-R147 VanDerWaalsContact C-N 3.3Å
146M97.4Very high97.3Very high17 Ų1751 Ų518%0.08424%0.244CC..THydrogen-bonded Turntrans-84.61.3175.467.5-172.356.500114.1I69 I111 W112 A115 I116 A142 F143 N144 F148I69-M146 HydrophobicContact CD1-CE 4Å; I111-M146 HydrophobicContact CG2-CB 3.97Å; W112-M146 HydrophobicContact CD2-CE 3.88Å; W112-M146 HydrophobicContact CD2-SD 3.89Å; W112-M146 HydrophobicContact CE3-CE 3.93Å; W112-M146 HydrophobicContact CE3-SD 3.28Å; W112-M146 HydrophobicContact CG-CE 4.31Å; W112-M146 HydrophobicContact CH2-SD 3.99Å; W112-M146 HydrophobicContact CZ3-CE 4.29Å; W112-M146 HydrophobicContact CZ3-SD 3.35Å; W112-M146 WeakPolarHBondContact CZ3-SD 3.29Å; A115-M146 HydrophobicContact CB-CB 3.66Å; A115-M146 HydrophobicContact CB-CE 3.76Å; A115-M146 HydrophobicContact CB-CG 4.48Å; I116-M146 HydrophobicContact CG1-CE 4.21Å; A142-M146 HydrophobicContact CB-CE 4.18Å; A142-M146 WeakPolarHBondContact O-CE 3.4Å; A142-M146 VanDerWaalsContact O-CG 3.31Å; A142-M146 WeakPolarHBondContact O-CG 3.45Å; A142-M146 PolarHBondContact O-N 2.86Å; F143-M146 HydrophobicContact CD1-CE 4.37Å; F143-M146 HydrophobicContact CD1-SD 3.8Å; F143-M146 HydrophobicContact CE1-SD 4.27Å; F143-M146 WeakPolarHBondContact O-CG 3.47Å; N144-M146 PolarHBondContact O-N 3.41Å; M146-F148 VanDerWaalsContact C-N 3.3Å; M146-F148 HydrophobicContact CG-CB 3.94Å; M146-F148 PolarHBondContact O-N 2.78Å; M146-F148 HydrophobicContact SD-CB 4.2Å
147R96.9Very high97.2Very high137 Ų13757.2 Ų57.252%0.51727%0.271SS..THydrogen-bonded Turntrans51.945.6-174.4-57.6175.266111.510.8112.7F143 N144 K145 Q149 D150 K151 E152F143-R147 PolarHBondContact O-N 2.96Å; F143-R147 VanDerWaalsContact O-N 3.14Å; N144-R147 PolarHBondContact O-N 3.03Å; N144-R147 VanDerWaalsContact O-N 3.17Å; K145-R147 VanDerWaalsContact C-N 3.3Å; R147-Q149 PolarHBondContact O-N 3.1Å; R147-D150 WeakPolarHBondContact O-CA 3.36Å; R147-D150 PolarHBondContact O-N 3.47Å; R147-K151 CarbonylContact C-O 3.53Å; R147-K151 VanDerWaalsContact CA-O 3.32Å; R147-K151 WeakPolarHBondContact CA-O 3.42Å; R147-E152 HydrophobicContact CG-CG 3.98Å; R147-E152 IonicContact CZ-OE1 3.45Å; R147-E152 IonicContact NE-OE1 2.79Å; R147-E152 IonicContact NH1-OE1 2.65Å; R147-E152 PolarHBondContact NH1-OE1 3.21Å; R147-E152 IonicContact NH2-OE1 3.61Å
148F97.5Very high97.3Very high2 Ų257.9 Ų57.91%0.00928%0.275CS..G310 helixtrans-59.2126.3-176.4-178.3-114.2000110.9Y99 P101 L105 W112 F143 M146 D150 K151 W154 L162Y99-F148 HydrophobicContact CE1-CE1 4.33Å; Y99-F148 AromaticContact CE1-CZ 3.97Å; Y99-F148 HydrophobicContact CE1-CZ 3.97Å; P101-F148 HydrophobicContact CB-CE2 3.7Å; P101-F148 HydrophobicContact CB-CZ 3.79Å; P101-F148 HydrophobicContact CG-CE2 3.55Å; P101-F148 HydrophobicContact CG-CZ 3.59Å; L105-F148 HydrophobicContact CB-CE2 3.95Å; L105-F148 HydrophobicContact CB-CZ 4.48Å; W112-F148 HydrophobicContact CZ3-CD2 4.17Å; W112-F148 HydrophobicContact CZ3-CE2 4.46Å; F143-F148 HydrophobicContact CB-CB 4.08Å; F143-F148 HydrophobicContact CD1-CB 4.28Å; F143-F148 HydrophobicContact CD1-CG 4.42Å; F143-F148 HydrophobicContact CD2-CB 4.32Å; F143-F148 AromaticContact CD2-CD1 3.6Å; F143-F148 HydrophobicContact CD2-CD1 3.6Å; F143-F148 HydrophobicContact CD2-CE1 4.32Å; F143-F148 HydrophobicContact CD2-CG 4.22Å; F143-F148 HydrophobicContact CE1-CD1 4.45Å; F143-F148 HydrophobicContact CE1-CG 4.48Å; F143-F148 AromaticContact CE2-CD1 3.54Å; F143-F148 HydrophobicContact CE2-CD1 3.54Å; F143-F148 AromaticContact CE2-CE1 3.81Å; F143-F148 HydrophobicContact CE2-CE1 3.81Å; F143-F148 HydrophobicContact CE2-CG 4.31Å; F143-F148 HydrophobicContact CG-CB 4Å; F143-F148 HydrophobicContact CG-CD1 4.11Å; F143-F148 HydrophobicContact CG-CG 4.27Å; F143-F148 AromaticContact CZ-CD1 3.97Å; F143-F148 HydrophobicContact CZ-CD1 3.97Å; F143-F148 HydrophobicContact CZ-CE1 4.12Å; F143-F148 HydrophobicContact CZ-CG 4.42Å; F143-F148 PolarHBondContact O-N 2.87Å; M146-F148 VanDerWaalsContact C-N 3.3Å; M146-F148 HydrophobicContact CG-CB 3.94Å; M146-F148 PolarHBondContact O-N 2.78Å; M146-F148 HydrophobicContact SD-CB 4.2Å; F148-D150 VanDerWaalsContact C-N 3.28Å; F148-D150 PolarHBondContact O-N 3.24Å; F148-K151 PolarHBondContact O-N 3.45Å; F148-W154 AromaticContact CD1-CE2 3.84Å; F148-W154 HydrophobicContact CD1-CH2 4.21Å; F148-W154 AromaticContact CD1-CZ2 3.48Å; F148-W154 HydrophobicContact CD1-CZ2 3.48Å; F148-W154 VanDerWaalsContact CD1-CZ2 3.48Å; F148-W154 HydrophobicContact CE1-CH2 4.27Å; F148-W154 AromaticContact CE1-CZ2 3.91Å; F148-W154 HydrophobicContact CE1-CZ2 3.91Å; F148-W154 PolarHBondContact O-NE1 2.75Å; F148-L162 HydrophobicContact CE1-CD2 4.03Å
149Q95.2Very high97.3Very high54 Ų5457.9 Ų57.925%0.25228%0.275SS..G310 helixtrans57.133.6-169.4-53.8-178.4-7.800114.5L105 R147 K151 W154L105-Q149 HydrophobicContact CD1-CG 4.48Å; L105-Q149 HydrophobicContact CD2-CG 4.35Å; R147-Q149 PolarHBondContact O-N 3.1Å; Q149-K151 HydrophobicContact CB-CD 4.31Å; Q149-K151 WeakPolarHBondContact O-CG 3.46Å; Q149-K151 PolarHBondContact O-N 2.62Å; Q149-W154 HydrophobicContact CG-CZ2 4.32Å
150D94.7Very high97.2Very high142 Ų14259.2 Ų59.276%0.75929%0.287SS*.G310 helixtrans60.325.4-177.8-55.5-58.6000113.9R147 F148R147-D150 WeakPolarHBondContact O-CA 3.36Å; R147-D150 PolarHBondContact O-N 3.47Å; F148-D150 VanDerWaalsContact C-N 3.28Å; F148-D150 PolarHBondContact O-N 3.24Å
151K96.6Very high97.1Very high87 Ų8761.6 Ų61.638%0.37830%0.301SS..  trans-116.6149.4-178-67.6166.1-171.6167.80112.1R147 F148 Q149 W154R147-K151 CarbonylContact C-O 3.53Å; R147-K151 VanDerWaalsContact CA-O 3.32Å; R147-K151 WeakPolarHBondContact CA-O 3.42Å; F148-K151 PolarHBondContact O-N 3.45Å; Q149-K151 HydrophobicContact CB-CD 4.31Å; Q149-K151 WeakPolarHBondContact O-CG 3.46Å; Q149-K151 PolarHBondContact O-N 2.62Å; K151-W154 HydrophobicContact CD-CZ2 4.27Å
152E97.2Very high97.1Very high112 Ų11260 Ų6052%0.52329%0.294SS..SBendtrans-126.914.4176.5-63.5178.2-165.300112.7N144 R147N144-E152 VanDerWaalsContact CG-C 3.46Å; N144-E152 VanDerWaalsContact CG-O 3.22Å; N144-E152 WeakPolarHBondContact OD1-CA 3.41Å; N144-E152 PolarHBondContact OD1-O 2.82Å; N144-E152 VanDerWaalsContact OD1-O 3.08Å; R147-E152 HydrophobicContact CG-CG 3.98Å; R147-E152 IonicContact CZ-OE1 3.45Å; R147-E152 IonicContact NE-OE1 2.79Å; R147-E152 IonicContact NH1-OE1 2.65Å; R147-E152 PolarHBondContact NH1-OE1 3.21Å; R147-E152 IonicContact NH2-OE1 3.61Å
153N98Very high97Very high118 Ų11860.1 Ų60.163%0.63130%0.295SS*.  trans-118.922.7-175.868.4-22.9000113.8N144N144-N153 PolarHBondContact OD1-N 3.16Å; N144-N153 VanDerWaalsContact OD1-N 3.13Å
154W98.4Very high96.9Very high21 Ų2164.4 Ų64.48%0.0831%0.313CS..  trans-58.7139.3167.7-65.895.1000110.2A140 F143 N144 F148 Q149 K151 S158 V159 L162A140-W154 HydrophobicContact CB-CB 4.14Å; F143-W154 HydrophobicContact CB-CB 4.08Å; F143-W154 HydrophobicContact CB-CD2 4.3Å; F143-W154 HydrophobicContact CB-CG 3.75Å; F143-W154 AromaticContact CD2-CD2 3.81Å; F143-W154 HydrophobicContact CD2-CD2 3.81Å; F143-W154 AromaticContact CD2-CE2 3.99Å; F143-W154 HydrophobicContact CD2-CE3 4.05Å; F143-W154 HydrophobicContact CD2-CG 4.14Å; F143-W154 HydrophobicContact CD2-CZ2 4.43Å; F143-W154 HydrophobicContact CD2-CZ3 4.47Å; F143-W154 HydrophobicContact CG-CG 4.5Å; N144-W154 PolarHBondContact ND2-O 3.05Å; N144-W154 WeakPolarHBondContact OD1-CA 3.42Å; N144-W154 WeakPolarHBondContact OD1-CB 3.16Å; N144-W154 PolarHBondContact OD1-N 3.21Å; F148-W154 AromaticContact CD1-CE2 3.84Å; F148-W154 HydrophobicContact CD1-CH2 4.21Å; F148-W154 AromaticContact CD1-CZ2 3.48Å; F148-W154 HydrophobicContact CD1-CZ2 3.48Å; F148-W154 VanDerWaalsContact CD1-CZ2 3.48Å; F148-W154 HydrophobicContact CE1-CH2 4.27Å; F148-W154 AromaticContact CE1-CZ2 3.91Å; F148-W154 HydrophobicContact CE1-CZ2 3.91Å; F148-W154 PolarHBondContact O-NE1 2.75Å; Q149-W154 HydrophobicContact CG-CZ2 4.32Å; K151-W154 HydrophobicContact CD-CZ2 4.27Å; W154-S158 WeakPolarHBondContact CA-OG 3.19Å; W154-V159 HydrophobicContact CB-CG1 4.44Å; W154-V159 HydrophobicContact CD2-CG1 4.46Å; W154-V159 HydrophobicContact CE3-CG1 3.75Å; W154-V159 HydrophobicContact CZ3-CG1 4.45Å; W154-L162 HydrophobicContact CH2-CB 4.4Å; W154-L162 HydrophobicContact CH2-CD1 4.42Å; W154-L162 HydrophobicContact CH2-CD2 3.83Å; W154-L162 HydrophobicContact CH2-CG 4.45Å; W154-L162 HydrophobicContact CZ3-CB 4.05Å; W154-L162 HydrophobicContact CZ3-CD2 3.93Å
155N96.8Very high96.7Very high77 Ų7769.5 Ų69.541%0.41233%0.334SS..  trans-141.1171.7176.759.561.4000109.6F157 S158 V159N155-F157 PolarHBondContact O-N 3.48Å; N155-F157 VanDerWaalsContact O-N 3.11Å; N155-F157 WeakPolarHBondContact OD1-CB 3.4Å; N155-F157 PolarHBondContact OD1-N 3.31Å; N155-S158 PolarHBondContact N-OG 3.38Å; N155-S158 PolarHBondContact O-N 2.79Å; N155-S158 VanDerWaalsContact O-N 3.08Å; N155-S158 PolarHBondContact O-OG 3.35Å; N155-S158 PolarHBondContact OD1-N 3.42Å; N155-S158 PolarHBondContact OD1-OG 3.11Å; N155-V159 PolarHBondContact O-N 3.18Å; N155-V159 VanDerWaalsContact O-N 3.13Å
156M95.2Very high96.7Very high75 Ų7570.1 Ų70.137%0.36934%0.338SS..Hα-helixtrans-52.7-37-177.162.9177.7-178.400113.7H136 V159 A160H136-M156 HydrophobicContact CB-CB 3.62Å; M156-V159 VanDerWaalsContact O-CG2 3.31Å; M156-V159 WeakPolarHBondContact O-CG2 3.41Å; M156-A160 WeakPolarHBondContact O-CB 3.28Å; M156-A160 PolarHBondContact O-N 3.32Å
157F95.3Very high96.7Very high151 Ų15170.4 Ų70.466%0.66235%0.345SS*.Hα-helixtrans-73.2-44.9179.7-179.2-100.9000111.6N155 V159 A160 V161N155-F157 PolarHBondContact O-N 3.48Å; N155-F157 VanDerWaalsContact O-N 3.11Å; N155-F157 WeakPolarHBondContact OD1-CB 3.4Å; N155-F157 PolarHBondContact OD1-N 3.31Å; F157-V159 VanDerWaalsContact C-N 3.35Å; F157-V159 PolarHBondContact O-N 3.22Å; F157-A160 WeakPolarHBondContact O-CB 3.46Å; F157-A160 PolarHBondContact O-N 2.94Å; F157-V161 HydrophobicContact CD1-CG2 4.01Å; F157-V161 HydrophobicContact CD2-CG2 4.45Å; F157-V161 HydrophobicContact CE1-CG2 3.59Å; F157-V161 HydrophobicContact CE2-CG2 4.07Å; F157-V161 HydrophobicContact CG-CG2 4.43Å; F157-V161 HydrophobicContact CZ-CG2 3.62Å; F157-V161 WeakPolarHBondContact O-CG2 3.27Å; F157-V161 PolarHBondContact O-N 3.28Å
158S97.4Very high96.7Very high30 Ų3068.5 Ų68.521%0.2134%0.341CS..Hα-helixtrans-64.5-35.5-179.162.10000113.4W154 N155 L162W154-S158 WeakPolarHBondContact CA-OG 3.19Å; N155-S158 PolarHBondContact N-OG 3.38Å; N155-S158 PolarHBondContact O-N 2.79Å; N155-S158 VanDerWaalsContact O-N 3.08Å; N155-S158 PolarHBondContact O-OG 3.35Å; N155-S158 PolarHBondContact OD1-N 3.42Å; N155-S158 PolarHBondContact OD1-OG 3.11Å; S158-L162 WeakPolarHBondContact O-CB 3.44Å; S158-L162 PolarHBondContact O-N 3.21Å
159V97.7Very high96.7Very high0 Ų071.6 Ų71.60%035%0.353CS..Hα-helixtrans-73.3-35.9175.6-62.10000111.6M67 H136 V139 A140 F143 W154 N155 M156 F157 L162 L163M67-V159 HydrophobicContact CE-CB 4.26Å; M67-V159 HydrophobicContact CE-CG2 4.11Å; M67-V159 HydrophobicContact SD-CB 4.09Å; M67-V159 HydrophobicContact SD-CG2 3.89Å; H136-V159 HydrophobicContact CB-CG2 3.9Å; H136-V159 WeakPolarHBondContact O-CG2 3.33Å; V139-V159 HydrophobicContact CG1-CB 4.5Å; V139-V159 HydrophobicContact CG1-CG1 4.3Å; A140-V159 HydrophobicContact CB-CG1 3.93Å; A140-V159 HydrophobicContact CB-CG2 4.46Å; F143-V159 HydrophobicContact CD2-CG1 3.95Å; F143-V159 HydrophobicContact CE2-CG1 4.35Å; W154-V159 HydrophobicContact CB-CG1 4.44Å; W154-V159 HydrophobicContact CD2-CG1 4.46Å; W154-V159 HydrophobicContact CE3-CG1 3.75Å; W154-V159 HydrophobicContact CZ3-CG1 4.45Å; N155-V159 PolarHBondContact O-N 3.18Å; N155-V159 VanDerWaalsContact O-N 3.13Å; M156-V159 VanDerWaalsContact O-CG2 3.31Å; M156-V159 WeakPolarHBondContact O-CG2 3.41Å; F157-V159 VanDerWaalsContact C-N 3.35Å; F157-V159 PolarHBondContact O-N 3.22Å; V159-L162 PolarHBondContact O-N 3.26Å; V159-L163 WeakPolarHBondContact O-CB 3.45Å; V159-L163 PolarHBondContact O-N 3.21Å
160A96.2Very high96.8Very high29 Ų2970.5 Ų70.524%0.2435%0.35CS..Hα-helixtrans-62.3-46.3172.300000111.5M156 F157 L163 F164M156-A160 WeakPolarHBondContact O-CB 3.28Å; M156-A160 PolarHBondContact O-N 3.32Å; F157-A160 WeakPolarHBondContact O-CB 3.46Å; F157-A160 PolarHBondContact O-N 2.94Å; A160-L163 PolarHBondContact O-N 2.66Å; A160-F164 VanDerWaalsContact O-CB 3.31Å; A160-F164 WeakPolarHBondContact O-CB 3.5Å; A160-F164 PolarHBondContact O-N 3.18Å
161V97Very high96.9Very high53 Ų5366.1 Ų66.132%0.32133%0.33SS..Hα-helixtrans-61.8-45.4176.2168.60000111.2F157 L163 F164 F165F157-V161 HydrophobicContact CD1-CG2 4.01Å; F157-V161 HydrophobicContact CD2-CG2 4.45Å; F157-V161 HydrophobicContact CE1-CG2 3.59Å; F157-V161 HydrophobicContact CE2-CG2 4.07Å; F157-V161 HydrophobicContact CG-CG2 4.43Å; F157-V161 HydrophobicContact CZ-CG2 3.62Å; F157-V161 WeakPolarHBondContact O-CG2 3.27Å; F157-V161 PolarHBondContact O-N 3.28Å; V161-L163 VanDerWaalsContact C-N 3.35Å; V161-L163 PolarHBondContact O-N 3.41Å; V161-F164 PolarHBondContact O-N 3.41Å; V161-F165 HydrophobicContact CG1-CD2 3.79Å; V161-F165 HydrophobicContact CG1-CE2 4.01Å; V161-F165 VanDerWaalsContact O-CD2 3.32Å; V161-F165 WeakPolarHBondContact O-CD2 3.5Å; V161-F165 PolarHBondContact O-N 3.21Å; V161-F165 VanDerWaalsContact O-N 3.11Å
162L97.6Very high96.9Very high12 Ų1271.3 Ų71.36%0.06335%0.353CS..Hα-helixtrans-54.8-53.4177173.869.3000110.8I49 Y99 F143 F148 W154 S158 V159 F165 H166I49-L162 HydrophobicContact CD1-CD2 4.05Å; Y99-L162 HydrophobicContact CD1-CD1 4.45Å; Y99-L162 HydrophobicContact CD1-CD2 3.91Å; Y99-L162 HydrophobicContact CD1-CG 4.12Å; Y99-L162 HydrophobicContact CE1-CD1 3.98Å; Y99-L162 HydrophobicContact CE1-CD2 3.81Å; Y99-L162 HydrophobicContact CE1-CG 4.09Å; F143-L162 HydrophobicContact CE2-CD2 3.68Å; F143-L162 HydrophobicContact CZ-CD2 4.41Å; F148-L162 HydrophobicContact CE1-CD2 4.03Å; W154-L162 HydrophobicContact CH2-CB 4.4Å; W154-L162 HydrophobicContact CH2-CD1 4.42Å; W154-L162 HydrophobicContact CH2-CD2 3.83Å; W154-L162 HydrophobicContact CH2-CG 4.45Å; W154-L162 HydrophobicContact CZ3-CB 4.05Å; W154-L162 HydrophobicContact CZ3-CD2 3.93Å; S158-L162 WeakPolarHBondContact O-CB 3.44Å; S158-L162 PolarHBondContact O-N 3.21Å; V159-L162 PolarHBondContact O-N 3.26Å; L162-F165 PolarHBondContact O-N 3.08Å; L162-H166 HydrophobicContact CD1-CB 4.44Å; L162-H166 VanDerWaalsContact O-CB 3.3Å; L162-H166 WeakPolarHBondContact O-CB 3.36Å; L162-H166 PolarHBondContact O-N 3.35Å; L162-H166 PolarHBondContact O-ND1 3.31Å
163L97.1Very high96.9Very high4 Ų475.2 Ų75.22%0.02136%0.363CS..Hα-helixtrans-65.6-39.4-178.3-178.976.7000112.1I49 W51 M67 M97 V159 A160 V161 F165 G167I49-L163 HydrophobicContact CD1-CB 4.02Å; I49-L163 HydrophobicContact CD1-CD1 4.09Å; I49-L163 HydrophobicContact CG1-CD1 4.1Å; W51-L163 HydrophobicContact CB-CD1 4.47Å; W51-L163 HydrophobicContact CB-CD2 3.32Å; W51-L163 HydrophobicContact CB-CG 4.39Å; W51-L163 VanDerWaalsContact CD1-CD2 3.5Å; W51-L163 HydrophobicContact CG-CD2 3.6Å; M67-L163 HydrophobicContact CE-CB 4.01Å; M67-L163 HydrophobicContact CE-CD2 3.55Å; M67-L163 HydrophobicContact CE-CG 4.4Å; M97-L163 HydrophobicContact CE-CD1 4.29Å; M97-L163 HydrophobicContact CE-CD2 3.75Å; M97-L163 HydrophobicContact CE-CG 3.67Å; M97-L163 HydrophobicContact CG-CD1 4.4Å; V159-L163 WeakPolarHBondContact O-CB 3.45Å; V159-L163 PolarHBondContact O-N 3.21Å; A160-L163 PolarHBondContact O-N 2.66Å; V161-L163 VanDerWaalsContact C-N 3.35Å; V161-L163 PolarHBondContact O-N 3.41Å; L163-F165 PolarHBondContact O-N 2.91Å; L163-G167 WeakPolarHBondContact O-CA 3.48Å; L163-G167 PolarHBondContact O-N 2.97Å
164F95Very high96.8Very high91 Ų9172.3 Ų72.340%0.39935%0.345SS..Hα-helixtrans-62.6-41.5179.6179.5-105.4000112.4V63 A160 V161V63-F164 HydrophobicContact CB-CD2 4.43Å; V63-F164 HydrophobicContact CB-CE2 4.48Å; V63-F164 HydrophobicContact CG1-CD2 3.66Å; V63-F164 HydrophobicContact CG1-CE2 4.11Å; V63-F164 HydrophobicContact CG1-CG 4.21Å; V63-F164 HydrophobicContact CG2-CD2 4.03Å; V63-F164 HydrophobicContact CG2-CE2 3.6Å; V63-F164 HydrophobicContact CG2-CZ 4.34Å; A160-F164 VanDerWaalsContact O-CB 3.31Å; A160-F164 WeakPolarHBondContact O-CB 3.5Å; A160-F164 PolarHBondContact O-N 3.18Å; V161-F164 PolarHBondContact O-N 3.41Å
165F96.3Very high96.7Very high144 Ų14473.4 Ų73.463%0.63236%0.356SS*.Hα-helixtrans-91.2-24.4-177.2-71.2-69.2000114.6V161 L162 L163V161-F165 HydrophobicContact CG1-CD2 3.79Å; V161-F165 HydrophobicContact CG1-CE2 4.01Å; V161-F165 VanDerWaalsContact O-CD2 3.32Å; V161-F165 WeakPolarHBondContact O-CD2 3.5Å; V161-F165 PolarHBondContact O-N 3.21Å; V161-F165 VanDerWaalsContact O-N 3.11Å; L162-F165 PolarHBondContact O-N 3.08Å; L163-F165 PolarHBondContact O-N 2.91Å
166H97.3Very high96.6Very high117 Ų11775.8 Ų75.854%0.54236%0.363SS..Hα-helixtrans-118.2-6.7-175.7-55.784.7000113.7Y99 L162Y99-H166 HydrophobicContact CD2-CB 3.65Å; Y99-H166 WeakPolarHBondContact CD2-O 3.29Å; Y99-H166 HydrophobicContact CE2-CB 3.66Å; Y99-H166 HydrophobicContact CG-CB 4.48Å; L162-H166 HydrophobicContact CD1-CB 4.44Å; L162-H166 VanDerWaalsContact O-CB 3.3Å; L162-H166 WeakPolarHBondContact O-CB 3.36Å; L162-H166 PolarHBondContact O-N 3.35Å; L162-H166 PolarHBondContact O-ND1 3.31Å
167G97.3Very high96.5Very high22 Ų2275.3 Ų75.323%0.22736%0.364CS..  trans-67.8148.6175.200000111.9Y98 L163Y98-G167 CarbonylContact O-C 3.57Å; Y98-G167 WeakPolarHBondContact O-CA 3.21Å; L163-G167 WeakPolarHBondContact O-CA 3.48Å; L163-G167 PolarHBondContact O-N 2.97Å
168K97Very high96.4Very high97 Ų9768.3 Ų68.342%0.42233%0.334SS..EExtended strand (participates in β ladder)trans-119.6136.2171.752177159.3152.60109.7M97 Y98M97-K168 WeakPolarHBondContact CA-O 3.4Å; Y98-K168 HydrophobicContact CD1-CG 4.12Å; Y98-K168 WeakPolarHBondContact CD1-O 3.37Å; Y98-K168 HydrophobicContact CD2-CG 4.39Å; Y98-K168 HydrophobicContact CE1-CD 4.04Å; Y98-K168 HydrophobicContact CE1-CG 3.72Å; Y98-K168 HydrophobicContact CE2-CD 3.92Å; Y98-K168 HydrophobicContact CE2-CG 4.03Å; Y98-K168 VanDerWaalsContact CE2-NZ 3.3Å; Y98-K168 HydrophobicContact CG-CG 4.43Å; Y98-K168 PolarHBondContact N-O 3.31Å; Y98-K168 WeakPolarHBondContact O-CG 3.32Å; Y98-K168 PolarHBondContact O-N 3.12Å; Y98-K168 WeakPolarHBondContact OH-CD 3.47Å; Y98-K168 WeakPolarHBondContact OH-CE 3.5Å; Y98-K168 PolarHBondContact OH-NZ 3.24Å
169Y97.8Very high96.3Very high68 Ų6870.9 Ų70.927%0.26734%0.339SS..EExtended strand (participates in β ladder)trans-67.2141.2173.3-72.4-79.4000110.6T96 M97 S171 C175 W179T96-Y169 CarbonylContact O-C 3.41Å; T96-Y169 VanDerWaalsContact O-CA 3.3Å; T96-Y169 WeakPolarHBondContact O-CA 3.41Å; T96-Y169 WeakPolarHBondContact O-CD1 3.41Å; M97-Y169 HydrophobicContact CB-CD1 4.06Å; M97-Y169 HydrophobicContact CB-CE1 4.18Å; M97-Y169 HydrophobicContact SD-CE1 4.48Å; Y169-S171 PolarHBondContact O-N 3.17Å; Y169-C175 HydrophobicContact CD1-CB 4.01Å; Y169-C175 HydrophobicContact CD2-CB 3.65Å; Y169-C175 HydrophobicContact CE1-CB 4.43Å; Y169-C175 HydrophobicContact CE2-CB 4.1Å; Y169-C175 HydrophobicContact CG-CB 3.61Å; Y169-W179 AromaticContact CZ-NE1 3.73Å; Y169-W179 PolarHBondContact OH-NE1 2.66Å
170V97.5Very high96.2Very high31 Ų3175.6 Ų75.619%0.18836%0.36CS..SBendtrans-58.1-36.2177.3168.70000111.5P40 F45 P95 T96 Y98P40-V170 HydrophobicContact CB-CG1 3.52Å; P40-V170 HydrophobicContact CG-CG1 3.97Å; F45-V170 HydrophobicContact CE1-CG2 3.87Å; F45-V170 HydrophobicContact CZ-CG2 4.01Å; P95-V170 WeakPolarHBondContact O-CG2 3.39Å; T96-V170 PolarHBondContact O-N 3.5Å; Y98-V170 HydrophobicContact CD1-CG2 3.81Å; Y98-V170 HydrophobicContact CE1-CG2 4.15Å
171S96.7Very high96.2Very high49 Ų4975.6 Ų75.634%0.34336%0.357SS..SBendtrans-156.2168.9170.8740000111.2Y169 R173 H174 C175Y169-S171 PolarHBondContact O-N 3.17Å; S171-R173 PolarHBondContact O-N 3.11Å; S171-R173 PolarHBondContact OG-N 2.86Å; S171-H174 WeakPolarHBondContact O-CB 3.43Å; S171-H174 PolarHBondContact O-N 3.29Å; S171-H174 VanDerWaalsContact O-N 3.09Å; S171-H174 PolarHBondContact OG-N 3.04Å; S171-H174 PolarHBondContact OG-ND1 3.19Å; S171-C175 PolarHBondContact O-N 3.26Å; S171-C175 VanDerWaalsContact O-N 3.11Å
172K96.2Very high96.1Very high197 Ų19775.7 Ų75.786%0.85735%0.353SS*.Hα-helixtrans-57.4-35.8173.3-65.1-176.1-178.9-179.80112.3C175 F176K172-C175 WeakPolarHBondContact O-CB 3.34Å; K172-C175 PolarHBondContact O-N 3.44Å; K172-F176 PolarHBondContact O-N 3.41Å
173R96.6Very high96Very high194 Ų19479.9 Ų79.973%0.73237%0.374SS*.Hα-helixtrans-60.1-47.4174.8179.5-178.5174.4-178.4-1.7110.7S171 C175 F176 T177S171-R173 PolarHBondContact O-N 3.11Å; S171-R173 PolarHBondContact OG-N 2.86Å; R173-C175 VanDerWaalsContact C-N 3.33Å; R173-C175 PolarHBondContact O-N 3.41Å; R173-F176 PolarHBondContact O-N 2.9Å; R173-T177 HydrophobicContact CG-CG2 4.24Å; R173-T177 WeakPolarHBondContact O-CG2 3.24Å; R173-T177 PolarHBondContact O-N 2.89Å; R173-T177 PolarHBondContact O-OG1 2.7Å
174H96.6Very high96Very high56 Ų5683.5 Ų83.526%0.25939%0.392SS..Hα-helixtrans-62.3-38.5178.7-72.3107.4000112.8S171 T177 S178S171-H174 WeakPolarHBondContact O-CB 3.43Å; S171-H174 PolarHBondContact O-N 3.29Å; S171-H174 VanDerWaalsContact O-N 3.09Å; S171-H174 PolarHBondContact OG-N 3.04Å; S171-H174 PolarHBondContact OG-ND1 3.19Å; H174-T177 WeakPolarHBondContact CA-OG1 2.97Å; H174-T177 PolarHBondContact O-OG1 2.86Å; H174-S178 WeakPolarHBondContact O-CB 3.46Å; H174-S178 PolarHBondContact O-N 3.44Å; H174-S178 PolarHBondContact O-OG 2.94Å
175C95.7Very high96.1Very high45 Ų4580.3 Ų80.330%0.30438%0.38SS..Hα-helixtrans-58-57.1171.1179.70000110.2Y169 S171 K172 R173 T177 S178 W179Y169-C175 HydrophobicContact CD1-CB 4.01Å; Y169-C175 HydrophobicContact CD2-CB 3.65Å; Y169-C175 HydrophobicContact CE1-CB 4.43Å; Y169-C175 HydrophobicContact CE2-CB 4.1Å; Y169-C175 HydrophobicContact CG-CB 3.61Å; S171-C175 PolarHBondContact O-N 3.26Å; S171-C175 VanDerWaalsContact O-N 3.11Å; K172-C175 WeakPolarHBondContact O-CB 3.34Å; K172-C175 PolarHBondContact O-N 3.44Å; R173-C175 VanDerWaalsContact C-N 3.33Å; R173-C175 PolarHBondContact O-N 3.41Å; C175-T177 PolarHBondContact O-N 3Å; C175-S178 PolarHBondContact O-N 3.33Å; C175-S178 VanDerWaalsContact O-N 3.14Å; C175-W179 VanDerWaalsContact O-CD1 3.29Å; C175-W179 PolarHBondContact O-N 3Å
176F94.8Very high96.1Very high127 Ų12775.8 Ų75.856%0.55736%0.364SS*.Hα-helixtrans-56.3-48.8-179.3-178.8-96.7000112.6K172 R173 S178 W179 F180K172-F176 PolarHBondContact O-N 3.41Å; R173-F176 PolarHBondContact O-N 2.9Å; F176-S178 VanDerWaalsContact C-N 3.25Å; F176-S178 PolarHBondContact O-N 3.32Å; F176-W179 PolarHBondContact O-N 2.8Å; F176-F180 HydrophobicContact CD1-CB 4.28Å; F176-F180 HydrophobicContact CE1-CB 3.96Å; F176-F180 HydrophobicContact CE1-CD1 4.38Å; F176-F180 AromaticContact CE1-CD2 3.86Å; F176-F180 HydrophobicContact CE1-CD2 3.86Å; F176-F180 HydrophobicContact CE1-CE2 4.44Å; F176-F180 AromaticContact CE1-CG 3.82Å; F176-F180 HydrophobicContact CE1-CG 3.82Å; F176-F180 HydrophobicContact CE2-CD2 4.09Å; F176-F180 HydrophobicContact CZ-CB 4.15Å; F176-F180 AromaticContact CZ-CD2 3.39Å; F176-F180 HydrophobicContact CZ-CD2 3.39Å; F176-F180 AromaticContact CZ-CE2 3.88Å; F176-F180 HydrophobicContact CZ-CE2 3.88Å; F176-F180 AromaticContact CZ-CG 3.85Å; F176-F180 HydrophobicContact CZ-CG 3.85Å; F176-F180 WeakPolarHBondContact O-CB 3.34Å; F176-F180 PolarHBondContact O-N 2.95Å
177T92.8Very high96.1Very high64 Ų6474 Ų7439%0.39336%0.364SS..Hα-helixtrans-67.8-24-17855.10000113.5R173 H174 C175 P181R173-T177 HydrophobicContact CG-CG2 4.24Å; R173-T177 WeakPolarHBondContact O-CG2 3.24Å; R173-T177 PolarHBondContact O-N 2.89Å; R173-T177 PolarHBondContact O-OG1 2.7Å; H174-T177 WeakPolarHBondContact CA-OG1 2.97Å; H174-T177 PolarHBondContact O-OG1 2.86Å; C175-T177 PolarHBondContact O-N 3Å; T177-P181 WeakPolarHBondContact O-CD 3.5Å
178S93.9Very high96.1Very high5 Ų576.7 Ų76.74%0.03538%0.376CS..Hα-helixtrans-74.5-32.2176.1-57.90000112.1T96 H174 C175 F176T96-S178 PolarHBondContact OG1-OG 3.44Å; H174-S178 WeakPolarHBondContact O-CB 3.46Å; H174-S178 PolarHBondContact O-N 3.44Å; H174-S178 PolarHBondContact O-OG 2.94Å; C175-S178 PolarHBondContact O-N 3.33Å; C175-S178 VanDerWaalsContact O-N 3.14Å; F176-S178 VanDerWaalsContact C-N 3.25Å; F176-S178 PolarHBondContact O-N 3.32Å
179W95.2Very high96.1Very high84 Ų8476 Ų7632%0.31838%0.376SS..Hα-helixtrans-98.6-25.7-177.3-71.393.2000114.2P62 Y169 C175 F176 F182 M183P62-W179 HydrophobicContact CB-CD2 4.23Å; P62-W179 HydrophobicContact CB-CE3 3.67Å; P62-W179 HydrophobicContact CB-CH2 4.09Å; P62-W179 HydrophobicContact CB-CZ3 3.61Å; P62-W179 HydrophobicContact CG-CE3 3.81Å; P62-W179 HydrophobicContact CG-CH2 3.99Å; P62-W179 HydrophobicContact CG-CZ3 3.35Å; Y169-W179 AromaticContact CZ-NE1 3.73Å; Y169-W179 PolarHBondContact OH-NE1 2.66Å; C175-W179 VanDerWaalsContact O-CD1 3.29Å; C175-W179 PolarHBondContact O-N 3Å; F176-W179 PolarHBondContact O-N 2.8Å; W179-F182 HydrophobicContact CE3-CD1 4.3Å; W179-F182 WeakPolarHBondContact O-CB 3.42Å; W179-F182 PolarHBondContact O-N 2.94Å; W179-F182 VanDerWaalsContact O-N 3.11Å; W179-M183 PolarHBondContact O-N 2.95Å; W179-M183 VanDerWaalsContact O-N 3.11Å
180F95.4Very high96Very high99 Ų9977.8 Ų77.843%0.43439%0.389SS..Hα-helixtrans-56.5-44.6-173.2-178.7-113.7000114F176 F182 M183 I184F176-F180 HydrophobicContact CD1-CB 4.28Å; F176-F180 HydrophobicContact CE1-CB 3.96Å; F176-F180 HydrophobicContact CE1-CD1 4.38Å; F176-F180 AromaticContact CE1-CD2 3.86Å; F176-F180 HydrophobicContact CE1-CD2 3.86Å; F176-F180 HydrophobicContact CE1-CE2 4.44Å; F176-F180 AromaticContact CE1-CG 3.82Å; F176-F180 HydrophobicContact CE1-CG 3.82Å; F176-F180 HydrophobicContact CE2-CD2 4.09Å; F176-F180 HydrophobicContact CZ-CB 4.15Å; F176-F180 AromaticContact CZ-CD2 3.39Å; F176-F180 HydrophobicContact CZ-CD2 3.39Å; F176-F180 AromaticContact CZ-CE2 3.88Å; F176-F180 HydrophobicContact CZ-CE2 3.88Å; F176-F180 AromaticContact CZ-CG 3.85Å; F176-F180 HydrophobicContact CZ-CG 3.85Å; F176-F180 WeakPolarHBondContact O-CB 3.34Å; F176-F180 PolarHBondContact O-N 2.95Å; F180-F182 VanDerWaalsContact C-N 3.31Å; F180-F182 PolarHBondContact O-N 3.15Å; F180-M183 PolarHBondContact O-N 2.82Å; F180-M183 VanDerWaalsContact O-N 3.17Å; F180-I184 HydrophobicContact CD1-CD1 4.05Å; F180-I184 HydrophobicContact CE1-CD1 3.61Å; F180-I184 HydrophobicContact CE1-CG1 4.37Å; F180-I184 HydrophobicContact CE2-CD1 4.49Å; F180-I184 HydrophobicContact CE2-CG1 4.43Å; F180-I184 HydrophobicContact CZ-CD1 3.85Å; F180-I184 HydrophobicContact CZ-CG1 4.23Å; F180-I184 WeakPolarHBondContact O-CG1 3.4Å; F180-I184 PolarHBondContact O-N 3.09Å; F180-I184 VanDerWaalsContact O-N 3.12Å
181P95.8Very high96Very high28 Ų2878.6 Ų78.618%0.18240%0.4CS..Hα-helixtrans-60.1-38.9176.5-24.335.3000113.4W59 T177 M183 I184 V185W59-P181 HydrophobicContact CB-CB 4.09Å; W59-P181 HydrophobicContact CD2-CB 3.87Å; W59-P181 HydrophobicContact CG-CB 3.49Å; W59-P181 VanDerWaalsContact CG-CB 3.49Å; W59-P181 HydrophobicContact CG-CG 4.49Å; T177-P181 WeakPolarHBondContact O-CD 3.5Å; P181-M183 PolarHBondContact O-N 3.39Å; P181-I184 PolarHBondContact O-N 2.82Å; P181-V185 WeakPolarHBondContact O-CG2 3Å; P181-V185 PolarHBondContact O-N 3.15Å
182F96.2Very high96Very high55 Ų5580.6 Ų80.624%0.24141%0.405CS..Hα-helixtrans-63-41.7175.8171.5-100.3000112.1W59 P62 W179 F180 I184 V185 V186W59-F182 WeakPolarHBondContact O-CA 3.34Å; W59-F182 WeakPolarHBondContact O-CB 3.26Å; W59-F182 WeakPolarHBondContact O-CD2 3.37Å; P62-F182 HydrophobicContact CB-CB 4.21Å; P62-F182 HydrophobicContact CB-CG 4.28Å; P62-F182 VanDerWaalsContact CD-CD2 3.49Å; P62-F182 HydrophobicContact CG-CB 4.24Å; P62-F182 HydrophobicContact CG-CD1 3.99Å; P62-F182 HydrophobicContact CG-CD2 3.89Å; P62-F182 HydrophobicContact CG-CE1 4.31Å; P62-F182 HydrophobicContact CG-CE2 4.21Å; P62-F182 HydrophobicContact CG-CG 3.76Å; P62-F182 HydrophobicContact CG-CZ 4.4Å; W179-F182 HydrophobicContact CE3-CD1 4.3Å; W179-F182 WeakPolarHBondContact O-CB 3.42Å; W179-F182 PolarHBondContact O-N 2.94Å; W179-F182 VanDerWaalsContact O-N 3.11Å; F180-F182 VanDerWaalsContact C-N 3.31Å; F180-F182 PolarHBondContact O-N 3.15Å; F182-I184 VanDerWaalsContact C-N 3.3Å; F182-I184 PolarHBondContact O-N 3.15Å; F182-V185 PolarHBondContact O-N 3.42Å; F182-V186 HydrophobicContact CD1-CG2 4.3Å; F182-V186 HydrophobicContact CD2-CG2 4.32Å; F182-V186 HydrophobicContact CE1-CG2 3.85Å; F182-V186 HydrophobicContact CE2-CG2 3.88Å; F182-V186 HydrophobicContact CZ-CG2 3.62Å; F182-V186 WeakPolarHBondContact O-CG2 3.28Å; F182-V186 PolarHBondContact O-N 2.95Å
183M95.9Very high96Very high100 Ų10075 Ų7549%0.49338%0.384SS..Hα-helixtrans-61.1-39175.5-62.9-56.3-62.900112W179 F180 P181 V186 C187W179-M183 PolarHBondContact O-N 2.95Å; W179-M183 VanDerWaalsContact O-N 3.11Å; F180-M183 PolarHBondContact O-N 2.82Å; F180-M183 VanDerWaalsContact O-N 3.17Å; P181-M183 PolarHBondContact O-N 3.39Å; M183-V186 PolarHBondContact O-N 3.3Å; M183-C187 WeakPolarHBondContact O-CB 3.29Å; M183-C187 PolarHBondContact O-N 3.23Å; M183-C187 PolarHBondContact O-SG 2.95Å
184I96.8Very high95.9Very high81 Ų8168.4 Ų68.442%0.41537%0.367SS..Hα-helixtrans-63.4-47.3175-61.8174.2000110.8F180 P181 F182 V186 C187 V188F180-I184 HydrophobicContact CD1-CD1 4.05Å; F180-I184 HydrophobicContact CE1-CD1 3.61Å; F180-I184 HydrophobicContact CE1-CG1 4.37Å; F180-I184 HydrophobicContact CE2-CD1 4.49Å; F180-I184 HydrophobicContact CE2-CG1 4.43Å; F180-I184 HydrophobicContact CZ-CD1 3.85Å; F180-I184 HydrophobicContact CZ-CG1 4.23Å; F180-I184 WeakPolarHBondContact O-CG1 3.4Å; F180-I184 PolarHBondContact O-N 3.09Å; F180-I184 VanDerWaalsContact O-N 3.12Å; P181-I184 PolarHBondContact O-N 2.82Å; F182-I184 VanDerWaalsContact C-N 3.3Å; F182-I184 PolarHBondContact O-N 3.15Å; I184-V186 VanDerWaalsContact C-N 3.32Å; I184-V186 PolarHBondContact O-N 3.49Å; I184-C187 WeakPolarHBondContact O-CB 3.31Å; I184-C187 PolarHBondContact O-N 3.39Å; I184-V188 HydrophobicContact CG2-CG2 4.33Å; I184-V188 WeakPolarHBondContact O-CG2 3.47Å; I184-V188 PolarHBondContact O-N 3.44Å
185V96.5Very high95.8Very high24 Ų2470.5 Ų70.515%0.14538%0.38CS..Hα-helixtrans-57.7-46.5178.7169.60000110.8W59 F60 P181 F182 C187 V188 I189W59-V185 HydrophobicContact CB-CG2 4.19Å; F60-V185 HydrophobicContact CD1-CG1 3.74Å; F60-V185 HydrophobicContact CE1-CG1 3.67Å; F60-V185 HydrophobicContact CE1-CG2 4.49Å; P181-V185 WeakPolarHBondContact O-CG2 3Å; P181-V185 PolarHBondContact O-N 3.15Å; F182-V185 PolarHBondContact O-N 3.42Å; V185-C187 PolarHBondContact O-N 3.26Å; V185-V188 PolarHBondContact O-N 3.32Å; V185-I189 HydrophobicContact CG1-CD1 3.75Å; V185-I189 HydrophobicContact CG1-CG1 4.46Å; V185-I189 VanDerWaalsContact O-CG1 3.31Å; V185-I189 WeakPolarHBondContact O-CG1 3.37Å; V185-I189 PolarHBondContact O-N 3.45Å
186V96.6Very high95.8Very high48 Ų4872.8 Ų72.829%0.29139%0.388SS..Hα-helixtrans-60.1-46.2176171.90000111.2F182 M183 I184 V188 I189 L190F182-V186 HydrophobicContact CD1-CG2 4.3Å; F182-V186 HydrophobicContact CD2-CG2 4.32Å; F182-V186 HydrophobicContact CE1-CG2 3.85Å; F182-V186 HydrophobicContact CE2-CG2 3.88Å; F182-V186 HydrophobicContact CZ-CG2 3.62Å; F182-V186 WeakPolarHBondContact O-CG2 3.28Å; F182-V186 PolarHBondContact O-N 2.95Å; M183-V186 PolarHBondContact O-N 3.3Å; I184-V186 VanDerWaalsContact C-N 3.32Å; I184-V186 PolarHBondContact O-N 3.49Å; V186-V188 VanDerWaalsContact C-N 3.34Å; V186-V188 PolarHBondContact O-N 2.95Å; V186-I189 PolarHBondContact O-N 3Å; V186-L190 HydrophobicContact CG1-CD1 3.82Å; V186-L190 HydrophobicContact CG1-CG 4.26Å; V186-L190 WeakPolarHBondContact O-CB 3.29Å; V186-L190 VanDerWaalsContact O-CG 3.27Å; V186-L190 WeakPolarHBondContact O-CG 3.36Å; V186-L190 PolarHBondContact O-N 3.26Å
187C97.3Very high95.7Very high79 Ų7972.4 Ų72.453%0.53439%0.391SS..Hα-helixtrans-59.5-42.5177.4-72.40000112.6M183 I184 V185 L190 A191M183-C187 WeakPolarHBondContact O-CB 3.29Å; M183-C187 PolarHBondContact O-N 3.23Å; M183-C187 PolarHBondContact O-SG 2.95Å; I184-C187 WeakPolarHBondContact O-CB 3.31Å; I184-C187 PolarHBondContact O-N 3.39Å; V185-C187 PolarHBondContact O-N 3.26Å; C187-L190 PolarHBondContact O-N 2.75Å; C187-A191 WeakPolarHBondContact O-CB 3.32Å; C187-A191 PolarHBondContact O-N 3.28Å
188V97.6Very high95.5Very high80 Ų8076.6 Ų76.649%0.48541%0.406SS..Hα-helixtrans-65.6-44.8177.61720000111.1I184 V185 V186 L190 A191 I192I184-V188 HydrophobicContact CG2-CG2 4.33Å; I184-V188 WeakPolarHBondContact O-CG2 3.47Å; I184-V188 PolarHBondContact O-N 3.44Å; V185-V188 PolarHBondContact O-N 3.32Å; V186-V188 VanDerWaalsContact C-N 3.34Å; V186-V188 PolarHBondContact O-N 2.95Å; V188-L190 PolarHBondContact O-N 3.45Å; V188-A191 PolarHBondContact O-N 2.95Å; V188-I192 HydrophobicContact CG1-CD1 3.89Å; V188-I192 WeakPolarHBondContact O-CG1 3.45Å; V188-I192 PolarHBondContact O-N 3.44Å
189I96.5Very high95.1Very high83 Ų8382.5 Ų82.543%0.42644%0.436SS..Hα-helixtrans-59.9-46.7176.9-70168.8000110.6V185 V186 A191 I192 I193V185-I189 HydrophobicContact CG1-CD1 3.75Å; V185-I189 HydrophobicContact CG1-CG1 4.46Å; V185-I189 VanDerWaalsContact O-CG1 3.31Å; V185-I189 WeakPolarHBondContact O-CG1 3.37Å; V185-I189 PolarHBondContact O-N 3.45Å; V186-I189 PolarHBondContact O-N 3Å; I189-A191 VanDerWaalsContact C-N 3.34Å; I189-A191 PolarHBondContact O-N 3.44Å; I189-I192 PolarHBondContact O-N 3.27Å; I189-I193 HydrophobicContact CG2-CD1 3.77Å; I189-I193 HydrophobicContact CG2-CG1 4.49Å; I189-I193 VanDerWaalsContact O-CG1 3.29Å; I189-I193 WeakPolarHBondContact O-CG1 3.07Å; I189-I193 PolarHBondContact O-N 2.98Å
190L96.6Very high93.7Very high104 Ų10488.6 Ų88.655%0.54547%0.467SS..Hα-helixtrans-64-37.6177.9-68.8175.5000112.3V186 C187 V188 I193 S194V186-L190 HydrophobicContact CG1-CD1 3.82Å; V186-L190 HydrophobicContact CG1-CG 4.26Å; V186-L190 WeakPolarHBondContact O-CB 3.29Å; V186-L190 VanDerWaalsContact O-CG 3.27Å; V186-L190 WeakPolarHBondContact O-CG 3.36Å; V186-L190 PolarHBondContact O-N 3.26Å; C187-L190 PolarHBondContact O-N 2.75Å; V188-L190 PolarHBondContact O-N 3.45Å; L190-I193 PolarHBondContact O-N 3.32Å; L190-S194 WeakPolarHBondContact O-CB 3.36Å; L190-S194 PolarHBondContact O-N 2.89Å
191A96.1Very high93.6Very high49 Ų4988.1 Ų88.141%0.40547%0.469SS..Hα-helixtrans-65-43.3175.900000111.7C187 V188 I189 S194 I195C187-A191 WeakPolarHBondContact O-CB 3.32Å; C187-A191 PolarHBondContact O-N 3.28Å; V188-A191 PolarHBondContact O-N 2.95Å; I189-A191 VanDerWaalsContact C-N 3.34Å; I189-A191 PolarHBondContact O-N 3.44Å; A191-S194 PolarHBondContact O-N 3.45Å; A191-I195 VanDerWaalsContact O-CG1 3.29Å; A191-I195 WeakPolarHBondContact O-CG1 3.4Å; A191-I195 PolarHBondContact O-N 2.92Å
192I96.5Very high93.5Very high90 Ų9091.2 Ų91.246%0.46248%0.484SS..Hα-helixtrans-61.7-47175.5-68.4166.5000110.5V188 I189 S194 I195 I196V188-I192 HydrophobicContact CG1-CD1 3.89Å; V188-I192 WeakPolarHBondContact O-CG1 3.45Å; V188-I192 PolarHBondContact O-N 3.44Å; I189-I192 PolarHBondContact O-N 3.27Å; I192-S194 VanDerWaalsContact C-N 3.32Å; I192-S194 PolarHBondContact O-N 2.97Å; I192-I195 PolarHBondContact O-N 3.48Å; I192-I196 HydrophobicContact CG2-CD1 3.76Å; I192-I196 HydrophobicContact CG2-CG1 4.48Å; I192-I196 VanDerWaalsContact O-CG1 3.3Å; I192-I196 WeakPolarHBondContact O-CG1 3.26Å; I192-I196 PolarHBondContact O-N 2.92Å
193I96Very high93.4Very high81 Ų8193.2 Ų93.242%0.41550%0.497SS..Hα-helixtrans-58.9-46.1176.8-69.3167.3000110.4I189 L190 I195 I196 L197I189-I193 HydrophobicContact CG2-CD1 3.77Å; I189-I193 HydrophobicContact CG2-CG1 4.49Å; I189-I193 VanDerWaalsContact O-CG1 3.29Å; I189-I193 WeakPolarHBondContact O-CG1 3.07Å; I189-I193 PolarHBondContact O-N 2.98Å; L190-I193 PolarHBondContact O-N 3.32Å; I193-I195 PolarHBondContact O-N 3.48Å; I193-I196 PolarHBondContact O-N 3.03Å; I193-L197 HydrophobicContact CG2-CD1 3.74Å; I193-L197 HydrophobicContact CG2-CG 4.26Å; I193-L197 WeakPolarHBondContact O-CB 3.21Å; I193-L197 VanDerWaalsContact O-CG 3.28Å; I193-L197 WeakPolarHBondContact O-CG 3.3Å; I193-L197 PolarHBondContact O-N 3.34Å
194S95.1Very high93.2Very high54 Ų5492.8 Ų92.838%0.37850%0.498SS..Hα-helixtrans-58.6-46.9177.8-174.80000111.7L190 A191 I192 I196 L197 H198L190-S194 WeakPolarHBondContact O-CB 3.36Å; L190-S194 PolarHBondContact O-N 2.89Å; A191-S194 PolarHBondContact O-N 3.45Å; I192-S194 VanDerWaalsContact C-N 3.32Å; I192-S194 PolarHBondContact O-N 2.97Å; S194-I196 PolarHBondContact O-N 3.43Å; S194-L197 PolarHBondContact O-N 2.95Å; S194-H198 PolarHBondContact O-N 3.01Å; S194-H198 PolarHBondContact O-ND1 3.26Å; S194-H198 PolarHBondContact OG-CE1 3.48Å; S194-H198 PolarHBondContact OG-ND1 2.9Å
195I95.6Very high93Very high100 Ų10093.6 Ų93.651%0.51350%0.503SS..Hα-helixtrans-60-45.9177.7-69.9165.2000111A191 I192 I193 L197 H198 I199A191-I195 VanDerWaalsContact O-CG1 3.29Å; A191-I195 WeakPolarHBondContact O-CG1 3.4Å; A191-I195 PolarHBondContact O-N 2.92Å; I192-I195 PolarHBondContact O-N 3.48Å; I193-I195 PolarHBondContact O-N 3.48Å; I195-L197 VanDerWaalsContact C-N 3.3Å; I195-L197 PolarHBondContact O-N 2.97Å; I195-H198 PolarHBondContact O-N 3.26Å; I195-I199 HydrophobicContact CG2-CD1 3.44Å; I195-I199 VanDerWaalsContact CG2-CD1 3.44Å; I195-I199 HydrophobicContact CG2-CG1 4.21Å; I195-I199 WeakPolarHBondContact O-CB 3.26Å; I195-I199 VanDerWaalsContact O-CG1 3.26Å; I195-I199 WeakPolarHBondContact O-CG1 3.41Å; I195-I199 PolarHBondContact O-N 2.98Å
196I94.7Very high92.8Very high93 Ų9398.2 Ų98.248%0.47753%0.527SS..Hα-helixtrans-60.4-41.6178.2-67.8166.7000111.1I192 I193 S194 H200I192-I196 HydrophobicContact CG2-CD1 3.76Å; I192-I196 HydrophobicContact CG2-CG1 4.48Å; I192-I196 VanDerWaalsContact O-CG1 3.3Å; I192-I196 WeakPolarHBondContact O-CG1 3.26Å; I192-I196 PolarHBondContact O-N 2.92Å; I193-I196 PolarHBondContact O-N 3.03Å; S194-I196 PolarHBondContact O-N 3.43Å; I196-H200 PolarHBondContact O-N 3.16Å
197L93.9Very high92.5Very high120 Ų120101.8 Ų101.863%0.62854%0.543SS*.Hα-helixtrans-74.2-20.4-179.7-68.6175.8000114.5I193 S194 I195I193-L197 HydrophobicContact CG2-CD1 3.74Å; I193-L197 HydrophobicContact CG2-CG 4.26Å; I193-L197 WeakPolarHBondContact O-CB 3.21Å; I193-L197 VanDerWaalsContact O-CG 3.28Å; I193-L197 WeakPolarHBondContact O-CG 3.3Å; I193-L197 PolarHBondContact O-N 3.34Å; S194-L197 PolarHBondContact O-N 2.95Å; I195-L197 VanDerWaalsContact C-N 3.3Å; I195-L197 PolarHBondContact O-N 2.97Å
198H88.6Confident92.1Very high151 Ų151103.5 Ų103.570%0.69954%0.544SS*.Hα-helixtrans-98.9-16.9177.7-70.678.6000113.1S194 I195S194-H198 PolarHBondContact O-N 3.01Å; S194-H198 PolarHBondContact O-ND1 3.26Å; S194-H198 PolarHBondContact OG-CE1 3.48Å; S194-H198 PolarHBondContact OG-ND1 2.9Å; I195-H198 PolarHBondContact O-N 3.26Å
199I85Confident91.7Very high129 Ų129105.5 Ų105.566%0.66255%0.549SS*.Hα-helixtrans-81.3-28.7174-72.2176.1000111.6I195I195-I199 HydrophobicContact CG2-CD1 3.44Å; I195-I199 VanDerWaalsContact CG2-CD1 3.44Å; I195-I199 HydrophobicContact CG2-CG1 4.21Å; I195-I199 WeakPolarHBondContact O-CB 3.26Å; I195-I199 VanDerWaalsContact O-CG1 3.26Å; I195-I199 WeakPolarHBondContact O-CG1 3.41Å; I195-I199 PolarHBondContact O-N 2.98Å
200H65.6Low91.2Very high212 Ų212107.5 Ų107.598%0.98156%0.56SS**  trans-99.10176.1-79-71.1000112I196I196-H200 PolarHBondContact O-N 3.16Å

Retrieved 200 of 200 residues in 230.1 ms (Link to these results)

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