A0A3Q0KH73_SCHMA Loading...

Putative neuronal calcium sensor

AlphaFold DB , UniProt , Accession A0A3Q0KH73, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 191 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
1M39.9Very low54.2Low248 Ų248136 Ų136100%1.22273%0.732SS**  0119.60-70.6173.3-174.800107.1N3M1-N3 PolarHBondContact O-N 3.31Å
2G34.6Very low57.3Low80 Ų80129.9 Ų129.983%0.82571%0.705SS**  trans-67.5124.5-158.800000114.4I4G2-I4 PolarHBondContact O-N 3.49Å
3N36.1Very low60.1Low143 Ų143133.9 Ų133.977%0.76571%0.712SS**  trans-74103.6175.8-130.99000109M1 L5M1-N3 PolarHBondContact O-N 3.31Å; N3-L5 PolarHBondContact O-N 2.88Å
4I42.5Very low62.5Low168 Ų168136.1 Ų136.186%0.86272%0.716SS**  trans-78.976.6168.8-53.7176.9000107.2G2 G6G2-I4 PolarHBondContact O-N 3.49Å; I4-G6 VanDerWaalsContact C-N 3.3Å; I4-G6 PolarHBondContact O-N 3.3Å
5L40.8Very low64.6Low142 Ų142129.3 Ų129.374%0.74368%0.68SS**  trans-7292.7163.6-87.1152.6000106.9N3 S7N3-L5 PolarHBondContact O-N 2.88Å; L5-S7 PolarHBondContact O-N 3.07Å
6G43.6Very low66.5Low57 Ų57122 Ų12259%0.58864%0.642SS**  trans-47.3125.5169.500000109.4I4 R8I4-G6 VanDerWaalsContact C-N 3.3Å; I4-G6 PolarHBondContact O-N 3.3Å; G6-R8 PolarHBondContact O-N 3.49Å
7S49.9Very low68.2Low111 Ų111118.7 Ų118.778%0.77662%0.622SS**  trans-41.8110.9172.2171.30000108.6L5 K9L5-S7 PolarHBondContact O-N 3.07Å; S7-K9 VanDerWaalsContact C-N 3.33Å; S7-K9 PolarHBondContact O-N 3.17Å
8R58.7Low69.7Low227 Ų227116.9 Ų116.986%0.85761%0.609SS**  trans-59.2101.5175.8-87.4-177.7173.6160.6-1.3106.5G6 K10G6-R8 PolarHBondContact O-N 3.49Å; R8-K10 PolarHBondContact O-N 3.18Å
9K73.1Confident71.1Confident109 Ų109110.7 Ų110.747%0.47458%0.576SS.*PPolyproline II helixtrans-50.5119.7170.2-70.7-170.1177.1-167.40106.4S7 Y34 S43S7-K9 VanDerWaalsContact C-N 3.33Å; S7-K9 PolarHBondContact O-N 3.17Å; K9-Y34 WeakPolarHBondContact O-CE1 3.46Å; K9-Y34 PolarHBondContact O-OH 2.93Å; K9-S43 PolarHBondContact NZ-O 2.7Å
10K85.2Confident72.3Confident185 Ų185111.8 Ų111.880%0.80457%0.573SS**PPolyproline II helixtrans-94.4136.9176.4-69.6-178.4-178.11740106.5R8 P12R8-K10 PolarHBondContact O-N 3.18Å; K10-P12 WeakPolarHBondContact O-CD 3.23Å
11L91.5Very high73.4Confident26 Ų26111.5 Ų111.514%0.13658%0.576CS.*PPolyproline II helixtrans-57.5121.3169.6-179.763.1000108.7D15 L16 I30 Y34 F85L11-D15 HydrophobicContact CD1-CB 3.92Å; L11-L16 HydrophobicContact CD2-CB 3.87Å; L11-L16 HydrophobicContact CD2-CD1 3.79Å; L11-L16 HydrophobicContact CD2-CG 4.29Å; L11-L16 HydrophobicContact CG-CB 4.2Å; L11-I30 HydrophobicContact CD2-CG2 3.71Å; L11-Y34 HydrophobicContact CB-CD1 3.79Å; L11-Y34 HydrophobicContact CB-CD2 4.08Å; L11-Y34 HydrophobicContact CB-CE1 3.8Å; L11-Y34 HydrophobicContact CB-CE2 4.08Å; L11-Y34 HydrophobicContact CB-CG 3.92Å; L11-Y34 HydrophobicContact CD1-CD2 3.78Å; L11-Y34 HydrophobicContact CD1-CE2 3.88Å; L11-Y34 HydrophobicContact CD1-CG 4.32Å; L11-Y34 HydrophobicContact CD2-CG 4.42Å; L11-Y34 HydrophobicContact CG-CD2 4.38Å; L11-Y34 HydrophobicContact CG-CG 4.46Å; L11-Y34 PolarHBondContact N-OH 3.29Å; L11-F85 HydrophobicContact CD1-CD1 3.59Å; L11-F85 HydrophobicContact CD1-CE1 3.84Å; L11-F85 HydrophobicContact CD2-CE1 4.14Å
12P91.8Very high75.9Confident63 Ų63103.5 Ų103.541%0.40954%0.538SS..PPolyproline II helixtrans-53.6143.9174.5-27.937.5000111.3K10 E14 D15 L16K10-P12 WeakPolarHBondContact O-CD 3.23Å; P12-E14 PolarHBondContact O-N 2.82Å; P12-D15 HydrophobicContact CB-CB 4.31Å; P12-D15 WeakPolarHBondContact CD-OD2 3.29Å; P12-D15 WeakPolarHBondContact CG-OD2 3.42Å; P12-D15 PolarHBondContact O-N 3.21Å; P12-L16 PolarHBondContact O-N 3.17Å; P12-L16 VanDerWaalsContact O-N 3.08Å
13K93Very high78.7Confident182 Ų182100.2 Ų100.279%0.79150%0.502SS*.Hα-helixtrans-62.9-36.7-179.6-72.8-178.1179.8176.60111.5L16 E17K13-L16 PolarHBondContact O-N 2.84Å; K13-E17 WeakPolarHBondContact O-CG 3.43Å; K13-E17 PolarHBondContact O-N 3.13Å
14E94.1Very high81.3Confident164 Ų16499 Ų9977%0.76650%0.496SS*.Hα-helixtrans-62-51.4178.2-68.8165.9-155.700110.8P12 L16 E17 F18P12-E14 PolarHBondContact O-N 2.82Å; E14-L16 VanDerWaalsContact C-N 3.28Å; E14-L16 PolarHBondContact O-N 3.31Å; E14-E17 PolarHBondContact O-N 2.75Å; E14-F18 VanDerWaalsContact O-CB 3.3Å; E14-F18 WeakPolarHBondContact O-CB 3.42Å; E14-F18 PolarHBondContact O-N 3.47Å
15D94.2Very high83.8Confident35 Ų3592.5 Ų92.519%0.18746%0.461CS..Hα-helixtrans-58.9-39.6175.7-62.5-16.4000112.1L11 P12 F18 L19 K86L11-D15 HydrophobicContact CD1-CB 3.92Å; P12-D15 HydrophobicContact CB-CB 4.31Å; P12-D15 WeakPolarHBondContact CD-OD2 3.29Å; P12-D15 WeakPolarHBondContact CG-OD2 3.42Å; P12-D15 PolarHBondContact O-N 3.21Å; D15-F18 PolarHBondContact O-N 3.28Å; D15-L19 WeakPolarHBondContact O-CB 3.25Å; D15-L19 VanDerWaalsContact O-CG 3.24Å; D15-L19 WeakPolarHBondContact O-CG 3.45Å; D15-L19 PolarHBondContact O-N 3.25Å; D15-K86 HydrophobicContact CB-CD 3.96Å; D15-K86 HydrophobicContact CB-CG 3.96Å; D15-K86 VanDerWaalsContact OD1-CD 3.29Å; D15-K86 WeakPolarHBondContact OD1-CD 3.26Å; D15-K86 IonicContact OD1-NZ 2.75Å; D15-K86 PolarHBondContact OD1-NZ 3.22Å
16L95.5Very high86.3Confident12 Ų1289.3 Ų89.36%0.06345%0.448CS..Hα-helixtrans-65.2-43.5178.1-18057.4000112.7L11 P12 K13 E14 R20 K27 I30L11-L16 HydrophobicContact CD2-CB 3.87Å; L11-L16 HydrophobicContact CD2-CD1 3.79Å; L11-L16 HydrophobicContact CD2-CG 4.29Å; L11-L16 HydrophobicContact CG-CB 4.2Å; P12-L16 PolarHBondContact O-N 3.17Å; P12-L16 VanDerWaalsContact O-N 3.08Å; K13-L16 PolarHBondContact O-N 2.84Å; E14-L16 VanDerWaalsContact C-N 3.28Å; E14-L16 PolarHBondContact O-N 3.31Å; L16-R20 WeakPolarHBondContact O-CB 3.47Å; L16-R20 PolarHBondContact O-N 3.19Å; L16-K27 HydrophobicContact CD1-CG 4.1Å; L16-K27 HydrophobicContact CD2-CD 4.39Å; L16-K27 HydrophobicContact CD2-CG 4.03Å; L16-K27 HydrophobicContact CG-CG 4.31Å; L16-I30 HydrophobicContact CD1-CB 3.82Å; L16-I30 HydrophobicContact CD1-CD1 4.01Å; L16-I30 HydrophobicContact CD1-CG2 3.53Å
17E95.1Very high88.8Confident66 Ų6691.1 Ų91.131%0.30844%0.44SS..Hα-helixtrans-73.5-35178.6-66.6-56.7141.800111.4K13 E14 R20 T21 K27K13-E17 WeakPolarHBondContact O-CG 3.43Å; K13-E17 PolarHBondContact O-N 3.13Å; E14-E17 PolarHBondContact O-N 2.75Å; E17-R20 PolarHBondContact O-N 3.28Å; E17-R20 IonicContact OE2-CZ 3.79Å; E17-R20 VanDerWaalsContact OE2-CZ 3.23Å; E17-R20 IonicContact OE2-NE 2.87Å; E17-R20 PolarHBondContact OE2-NE 2.79Å; E17-R20 IonicContact OE2-NH2 2.69Å; E17-R20 PolarHBondContact OE2-NH2 3.27Å; E17-T21 PolarHBondContact O-N 3.14Å; E17-T21 VanDerWaalsContact O-N 3.1Å; E17-T21 PolarHBondContact O-OG1 3.38Å; E17-K27 IonicContact OE1-NZ 3.17Å; E17-K27 PolarHBondContact OE1-NZ 3.49Å; E17-K27 VanDerWaalsContact OE1-NZ 3.1Å
18F95.9Very high91Very high86 Ų8693 Ų9338%0.37743%0.434SS..Hα-helixtrans-59.5-53.1171.2174.3-92.1000111.1E14 D15 R20 T21 N22 K86 L90E14-F18 VanDerWaalsContact O-CB 3.3Å; E14-F18 WeakPolarHBondContact O-CB 3.42Å; E14-F18 PolarHBondContact O-N 3.47Å; D15-F18 PolarHBondContact O-N 3.28Å; F18-R20 VanDerWaalsContact C-N 3.29Å; F18-R20 PolarHBondContact O-N 2.79Å; F18-T21 PolarHBondContact O-N 2.85Å; F18-N22 WeakPolarHBondContact CD2-ND2 3.19Å; F18-N22 HydrophobicContact CE1-CB 4.4Å; F18-N22 WeakPolarHBondContact CE2-ND2 3.43Å; F18-N22 HydrophobicContact CZ-CB 4.33Å; F18-N22 PolarHBondContact O-N 3.22Å; F18-N22 PolarHBondContact O-ND2 2.92Å; F18-K86 HydrophobicContact CD1-CD 4.13Å; F18-L90 HydrophobicContact CE1-CD1 4.02Å; F18-L90 HydrophobicContact CE1-CD2 4.28Å; F18-L90 HydrophobicContact CE1-CG 4.45Å; F18-L90 HydrophobicContact CZ-CD1 4.41Å
19L96.2Very high92.7Very high0 Ų085.7 Ų85.70%041%0.41CS..Hα-helixtrans-63.2-35.7179.8-73.2169000112D15 T21 N22 T23 I30 F85 K86 L89 L90D15-L19 WeakPolarHBondContact O-CB 3.25Å; D15-L19 VanDerWaalsContact O-CG 3.24Å; D15-L19 WeakPolarHBondContact O-CG 3.45Å; D15-L19 PolarHBondContact O-N 3.25Å; L19-T21 PolarHBondContact O-N 2.91Å; L19-N22 PolarHBondContact O-N 3.34Å; L19-T23 HydrophobicContact CD2-CG2 4.08Å; L19-T23 WeakPolarHBondContact O-CB 3.37Å; L19-T23 PolarHBondContact O-N 3.3Å; L19-T23 PolarHBondContact O-OG1 2.88Å; L19-I30 HydrophobicContact CB-CD1 3.81Å; L19-I30 HydrophobicContact CB-CG1 4.37Å; L19-I30 HydrophobicContact CB-CG2 4.32Å; L19-I30 HydrophobicContact CD1-CG2 3.93Å; L19-F85 HydrophobicContact CD1-CD1 3.9Å; L19-F85 HydrophobicContact CD1-CE1 3.59Å; L19-K86 HydrophobicContact CD1-CG 4.19Å; L19-K86 HydrophobicContact CD2-CB 4.34Å; L19-K86 HydrophobicContact CD2-CG 4.49Å; L19-K86 HydrophobicContact CG-CG 4.28Å; L19-L89 HydrophobicContact CB-CD2 4.36Å; L19-L89 HydrophobicContact CD1-CB 4.45Å; L19-L89 HydrophobicContact CD1-CD2 3.85Å; L19-L89 HydrophobicContact CD2-CB 4Å; L19-L89 HydrophobicContact CD2-CD2 4.1Å; L19-L89 HydrophobicContact CD2-CG 4.42Å; L19-L89 HydrophobicContact CG-CD2 4.33Å; L19-L90 HydrophobicContact CD2-CG 4.27Å
20R95.1Very high93.9Very high132 Ų13280.5 Ų80.550%0.49839%0.387SS..Hα-helixtrans-64.2-28.9174.3-172.717971.693.70.8112.7L16 E17 F18 I30L16-R20 WeakPolarHBondContact O-CB 3.47Å; L16-R20 PolarHBondContact O-N 3.19Å; E17-R20 PolarHBondContact O-N 3.28Å; E17-R20 IonicContact OE2-CZ 3.79Å; E17-R20 VanDerWaalsContact OE2-CZ 3.23Å; E17-R20 IonicContact OE2-NE 2.87Å; E17-R20 PolarHBondContact OE2-NE 2.79Å; E17-R20 IonicContact OE2-NH2 2.69Å; E17-R20 PolarHBondContact OE2-NH2 3.27Å; F18-R20 VanDerWaalsContact C-N 3.29Å; F18-R20 PolarHBondContact O-N 2.79Å; R20-I30 HydrophobicContact CB-CD1 4.1Å
21T94.6Very high94.3Very high105 Ų10576.1 Ų76.164%0.64437%0.368SS*.Hα-helixtrans-87.9-28.6-178.3-530000112E17 F18 L19E17-T21 PolarHBondContact O-N 3.14Å; E17-T21 VanDerWaalsContact O-N 3.1Å; E17-T21 PolarHBondContact O-OG1 3.38Å; F18-T21 PolarHBondContact O-N 2.85Å; L19-T21 PolarHBondContact O-N 2.91Å
22N92.9Very high94.5Very high80 Ų8079.5 Ų79.543%0.42838%0.383SS..Hα-helixtrans-112.87-171.9-63.1-83.7000113.9F18 L19 L90F18-N22 WeakPolarHBondContact CD2-ND2 3.19Å; F18-N22 HydrophobicContact CE1-CB 4.4Å; F18-N22 WeakPolarHBondContact CE2-ND2 3.43Å; F18-N22 HydrophobicContact CZ-CB 4.33Å; F18-N22 PolarHBondContact O-N 3.22Å; F18-N22 PolarHBondContact O-ND2 2.92Å; L19-N22 PolarHBondContact O-N 3.34Å; N22-L90 HydrophobicContact CB-CD2 4.1Å
23T93Very high94.7Very high12 Ų1281.1 Ų81.17%0.07438%0.381CS..SBendtrans-137.8162.1175.172.40000110.9L19 F25 L90 N93L19-T23 HydrophobicContact CD2-CG2 4.08Å; L19-T23 WeakPolarHBondContact O-CB 3.37Å; L19-T23 PolarHBondContact O-N 3.3Å; L19-T23 PolarHBondContact O-OG1 2.88Å; T23-F25 HydrophobicContact CG2-CD2 4.38Å; T23-F25 PolarHBondContact O-N 2.83Å; T23-F25 PolarHBondContact OG1-N 3.12Å; T23-L90 HydrophobicContact CG2-CD2 3.95Å; T23-N93 WeakPolarHBondContact CA-OD1 3.04Å; T23-N93 WeakPolarHBondContact CB-OD1 3.33Å; T23-N93 HydrophobicContact CG2-CB 3.85Å
24N91.2Very high94.9Very high118 Ų11873.9 Ų73.963%0.63135%0.349SS*.SBendtrans-78.27.8174.3-64.6-39.7000112.7N93N24-N93 PolarHBondContact N-OD1 3.17Å
25F93.7Very high94.9Very high30 Ų3074.2 Ų74.213%0.13234%0.343CS..  trans-89133.5-178.1-63.9-62.6000113.2T23 Q29 I30 W33 L89 I92 N93T23-F25 HydrophobicContact CG2-CD2 4.38Å; T23-F25 PolarHBondContact O-N 2.83Å; T23-F25 PolarHBondContact OG1-N 3.12Å; F25-Q29 HydrophobicContact CB-CB 4.15Å; F25-Q29 HydrophobicContact CD1-CB 4.07Å; F25-I30 HydrophobicContact CB-CD1 4.37Å; F25-I30 HydrophobicContact CB-CG1 3.67Å; F25-W33 AromaticContact CE1-NE1 3.62Å; F25-W33 AromaticContact CZ-NE1 3.86Å; F25-L89 HydrophobicContact CD2-CD1 3.72Å; F25-L89 HydrophobicContact CD2-CD2 3.96Å; F25-L89 HydrophobicContact CD2-CG 3.71Å; F25-L89 HydrophobicContact CE2-CD1 3.55Å; F25-L89 HydrophobicContact CE2-CG 3.86Å; F25-L89 HydrophobicContact CZ-CD1 4.27Å; F25-I92 HydrophobicContact CE2-CG2 4.38Å; F25-I92 HydrophobicContact CZ-CG2 3.95Å; F25-N93 HydrophobicContact CE2-CB 4.06Å
26T94.7Very high94.9Very high76 Ų7673.4 Ų73.447%0.46634%0.343SS..  trans-66.9157.2168.965.50000111.4K28 Q29 I30T26-K28 PolarHBondContact O-N 3.5Å; T26-Q29 PolarHBondContact O-N 3.26Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.16Å; T26-Q29 PolarHBondContact OG1-N 2.99Å; T26-Q29 PolarHBondContact OG1-OE1 3.41Å; T26-I30 WeakPolarHBondContact O-CG1 3.44Å; T26-I30 PolarHBondContact O-N 3.22Å
27K95.2Very high94.8Very high95 Ų9573.4 Ų73.441%0.41334%0.343SS..Hα-helixtrans-51.2-31.3172.5-169171.4-167.4144.20113.4L16 E17 K31L16-K27 HydrophobicContact CD1-CG 4.1Å; L16-K27 HydrophobicContact CD2-CD 4.39Å; L16-K27 HydrophobicContact CD2-CG 4.03Å; L16-K27 HydrophobicContact CG-CG 4.31Å; E17-K27 IonicContact OE1-NZ 3.17Å; E17-K27 PolarHBondContact OE1-NZ 3.49Å; E17-K27 VanDerWaalsContact OE1-NZ 3.1Å; K27-K31 WeakPolarHBondContact O-CG 3.5Å; K27-K31 PolarHBondContact O-N 2.93Å
28K95.6Very high94.8Very high151 Ų15172 Ų7266%0.65734%0.337SS*.Hα-helixtrans-72.4-46.5176.8-175.6-178.1174.9-173.40111.1T26 K31 Q32T26-K28 PolarHBondContact O-N 3.5Å; K28-K31 PolarHBondContact O-N 2.92Å; K28-Q32 WeakPolarHBondContact O-CG 3.19Å; K28-Q32 PolarHBondContact O-N 2.92Å; K28-Q32 VanDerWaalsContact O-N 3.09Å
29Q95.8Very high94.6Very high73 Ų7376.3 Ų76.334%0.34135%0.351SS..Hα-helixtrans-63.7-45.6177.6-74.5161.1-5500111.6F25 T26 K31 Q32 W33F25-Q29 HydrophobicContact CB-CB 4.15Å; F25-Q29 HydrophobicContact CD1-CB 4.07Å; T26-Q29 PolarHBondContact O-N 3.26Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.16Å; T26-Q29 PolarHBondContact OG1-N 2.99Å; T26-Q29 PolarHBondContact OG1-OE1 3.41Å; Q29-K31 VanDerWaalsContact C-N 3.27Å; Q29-K31 PolarHBondContact O-N 3.49Å; Q29-Q32 WeakPolarHBondContact O-CA 3.36Å; Q29-Q32 WeakPolarHBondContact O-CB 3.4Å; Q29-Q32 PolarHBondContact O-N 3.49Å; Q29-W33 PolarHBondContact O-N 3.43Å
30I96.9Very high94.3Very high0 Ų080.7 Ų80.70%037%0.374CS..Hα-helixtrans-55.7-44.8177.2-61.6166000110.6L11 L16 L19 R20 F25 T26 Q32 W33 Y34 F85 L89L11-I30 HydrophobicContact CD2-CG2 3.71Å; L16-I30 HydrophobicContact CD1-CB 3.82Å; L16-I30 HydrophobicContact CD1-CD1 4.01Å; L16-I30 HydrophobicContact CD1-CG2 3.53Å; L19-I30 HydrophobicContact CB-CD1 3.81Å; L19-I30 HydrophobicContact CB-CG1 4.37Å; L19-I30 HydrophobicContact CB-CG2 4.32Å; L19-I30 HydrophobicContact CD1-CG2 3.93Å; R20-I30 HydrophobicContact CB-CD1 4.1Å; F25-I30 HydrophobicContact CB-CD1 4.37Å; F25-I30 HydrophobicContact CB-CG1 3.67Å; T26-I30 WeakPolarHBondContact O-CG1 3.44Å; T26-I30 PolarHBondContact O-N 3.22Å; I30-Q32 VanDerWaalsContact C-N 3.31Å; I30-Q32 PolarHBondContact O-N 2.87Å; I30-W33 PolarHBondContact O-N 3.32Å; I30-Y34 WeakPolarHBondContact O-CB 3.43Å; I30-Y34 PolarHBondContact O-N 2.75Å; I30-F85 HydrophobicContact CG2-CE1 3.94Å; I30-F85 HydrophobicContact CG2-CZ 4.24Å; I30-F85 WeakPolarHBondContact O-CZ 3.46Å; I30-L89 HydrophobicContact CB-CD2 4.2Å; I30-L89 HydrophobicContact CG1-CD2 3.83Å; I30-L89 HydrophobicContact CG2-CD2 3.92Å
31K95.4Very high94.1Very high92 Ų9275 Ų7540%0.435%0.354SS..Hα-helixtrans-66.5-30176.6-73.8179.1178.5-176.10113.5K27 K28 Q29 R35K27-K31 WeakPolarHBondContact O-CG 3.5Å; K27-K31 PolarHBondContact O-N 2.93Å; K28-K31 PolarHBondContact O-N 2.92Å; Q29-K31 VanDerWaalsContact C-N 3.27Å; Q29-K31 PolarHBondContact O-N 3.49Å; K31-R35 VanDerWaalsContact O-CG 3.3Å; K31-R35 WeakPolarHBondContact O-CG 2.97Å; K31-R35 PolarHBondContact O-N 3.12Å
32Q95.6Very high94Very high97 Ų9774.5 Ų74.545%0.45335%0.353SS..Hα-helixtrans-71.3-49.1175.5-74.8170.7-29.300110.4K28 Q29 I30 Y34 R35 G36K28-Q32 WeakPolarHBondContact O-CG 3.19Å; K28-Q32 PolarHBondContact O-N 2.92Å; K28-Q32 VanDerWaalsContact O-N 3.09Å; Q29-Q32 WeakPolarHBondContact O-CA 3.36Å; Q29-Q32 WeakPolarHBondContact O-CB 3.4Å; Q29-Q32 PolarHBondContact O-N 3.49Å; I30-Q32 VanDerWaalsContact C-N 3.31Å; I30-Q32 PolarHBondContact O-N 2.87Å; Q32-Y34 VanDerWaalsContact C-N 3.31Å; Q32-Y34 PolarHBondContact O-N 3.4Å; Q32-R35 PolarHBondContact O-N 3.48Å; Q32-R35 VanDerWaalsContact O-N 3.15Å; Q32-G36 PolarHBondContact O-N 3.06Å; Q32-G36 VanDerWaalsContact O-N 3.11Å
33W95.3Very high93.9Very high98 Ų9874 Ų7437%0.37136%0.355SS..Hα-helixtrans-54.4-46.4172.8-81.9115.2000111.8F25 Q29 I30 R35 G36 F37 F85 F88 L89 I92F25-W33 AromaticContact CE1-NE1 3.62Å; F25-W33 AromaticContact CZ-NE1 3.86Å; Q29-W33 PolarHBondContact O-N 3.43Å; I30-W33 PolarHBondContact O-N 3.32Å; W33-R35 VanDerWaalsContact C-N 3.3Å; W33-R35 PolarHBondContact O-N 3.03Å; W33-G36 PolarHBondContact O-N 3.09Å; W33-G36 VanDerWaalsContact O-N 3.12Å; W33-F37 WeakPolarHBondContact O-CB 3.32Å; W33-F37 PolarHBondContact O-N 3.48Å; W33-F85 HydrophobicContact CB-CE2 3.94Å; W33-F85 HydrophobicContact CB-CZ 3.94Å; W33-F88 AromaticContact CE3-CE1 3.67Å; W33-F88 HydrophobicContact CE3-CE1 3.67Å; W33-F88 HydrophobicContact CE3-CZ 4.05Å; W33-F88 AromaticContact CZ3-CE1 3.89Å; W33-F88 HydrophobicContact CZ3-CE1 3.89Å; W33-F88 AromaticContact CZ3-CZ 3.78Å; W33-F88 HydrophobicContact CZ3-CZ 3.78Å; W33-L89 HydrophobicContact CB-CD1 3.88Å; W33-L89 HydrophobicContact CD2-CD1 4.08Å; W33-L89 HydrophobicContact CG-CD1 3.61Å; W33-I92 HydrophobicContact CH2-CG2 4.32Å; W33-I92 HydrophobicContact CZ2-CG2 4.04Å
34Y96Very high93.9Very high30 Ų3074.1 Ų74.112%0.11836%0.36CS..Hα-helixtrans-59.5-39.5178.6-174.3-107.7000113K9 L11 I30 Q32 F37 I38 F85K9-Y34 WeakPolarHBondContact O-CE1 3.46Å; K9-Y34 PolarHBondContact O-OH 2.93Å; L11-Y34 HydrophobicContact CB-CD1 3.79Å; L11-Y34 HydrophobicContact CB-CD2 4.08Å; L11-Y34 HydrophobicContact CB-CE1 3.8Å; L11-Y34 HydrophobicContact CB-CE2 4.08Å; L11-Y34 HydrophobicContact CB-CG 3.92Å; L11-Y34 HydrophobicContact CD1-CD2 3.78Å; L11-Y34 HydrophobicContact CD1-CE2 3.88Å; L11-Y34 HydrophobicContact CD1-CG 4.32Å; L11-Y34 HydrophobicContact CD2-CG 4.42Å; L11-Y34 HydrophobicContact CG-CD2 4.38Å; L11-Y34 HydrophobicContact CG-CG 4.46Å; L11-Y34 PolarHBondContact N-OH 3.29Å; I30-Y34 WeakPolarHBondContact O-CB 3.43Å; I30-Y34 PolarHBondContact O-N 2.75Å; Q32-Y34 VanDerWaalsContact C-N 3.31Å; Q32-Y34 PolarHBondContact O-N 3.4Å; Y34-F37 PolarHBondContact O-N 3.44Å; Y34-I38 HydrophobicContact CD1-CG1 4.23Å; Y34-I38 HydrophobicContact CD2-CG1 4.21Å; Y34-I38 HydrophobicContact CE1-CG1 3.82Å; Y34-I38 HydrophobicContact CE2-CD1 3.95Å; Y34-I38 HydrophobicContact CE2-CG1 3.82Å; Y34-I38 HydrophobicContact CG-CG1 4.43Å; Y34-I38 WeakPolarHBondContact O-CG1 3.31Å; Y34-I38 PolarHBondContact O-N 3.14Å; Y34-F85 VanDerWaalsContact CA-CZ 3.47Å; Y34-F85 HydrophobicContact CD2-CB 4.2Å; Y34-F85 AromaticContact CD2-CD1 3.52Å; Y34-F85 HydrophobicContact CD2-CD1 3.52Å; Y34-F85 AromaticContact CD2-CD2 3.91Å; Y34-F85 HydrophobicContact CD2-CD2 3.91Å; Y34-F85 AromaticContact CD2-CE1 3.78Å; Y34-F85 HydrophobicContact CD2-CE1 3.78Å; Y34-F85 HydrophobicContact CD2-CE2 4.18Å; Y34-F85 AromaticContact CD2-CG 3.56Å; Y34-F85 HydrophobicContact CD2-CG 3.56Å; Y34-F85 HydrophobicContact CD2-CZ 4.11Å; Y34-F85 HydrophobicContact CE2-CB 4.35Å; Y34-F85 HydrophobicContact CE2-CD1 4.24Å; Y34-F85 HydrophobicContact CE2-CG 4.19Å; Y34-F85 HydrophobicContact CG-CD1 4.42Å; Y34-F85 HydrophobicContact CG-CE1 4.26Å; Y34-F85 HydrophobicContact CG-CZ 4.36Å; Y34-F85 VanDerWaalsContact N-CE2 3.32Å; Y34-F85 VanDerWaalsContact N-CZ 3.31Å
35R94.4Very high94Very high170 Ų17071.8 Ų71.864%0.64235%0.345SS*.Hα-helixtrans-66.4-40.7176.6-71171-165155.61.2111.8K31 Q32 W33 R39K31-R35 VanDerWaalsContact O-CG 3.3Å; K31-R35 WeakPolarHBondContact O-CG 2.97Å; K31-R35 PolarHBondContact O-N 3.12Å; Q32-R35 PolarHBondContact O-N 3.48Å; Q32-R35 VanDerWaalsContact O-N 3.15Å; W33-R35 VanDerWaalsContact C-N 3.3Å; W33-R35 PolarHBondContact O-N 3.03Å; R35-R39 VanDerWaalsContact O-CB 3.32Å; R35-R39 WeakPolarHBondContact O-CB 3.29Å; R35-R39 PolarHBondContact O-N 3.41Å; R35-R39 VanDerWaalsContact O-N 3.07Å
36G94.4Very high93.9Very high19 Ų1971.2 Ų71.220%0.19634%0.343CS..Hα-helixtrans-62.6-49.1174.100000111.1Q32 W33 I38 R39 D40Q32-G36 PolarHBondContact O-N 3.06Å; Q32-G36 VanDerWaalsContact O-N 3.11Å; W33-G36 PolarHBondContact O-N 3.09Å; W33-G36 VanDerWaalsContact O-N 3.12Å; G36-I38 PolarHBondContact O-N 2.88Å; G36-R39 WeakPolarHBondContact O-CB 3.43Å; G36-R39 PolarHBondContact O-N 3.37Å; G36-R39 VanDerWaalsContact O-N 3.09Å; G36-D40 PolarHBondContact O-N 2.72Å
37F93.7Very high93.8Very high12 Ų1270 Ų705%0.05334%0.338CS..Hα-helixtrans-59.6-45.2-179.9-169.6-94.5000112.8W33 Y34 R39 D40 C41 L46 F85 F88W33-F37 WeakPolarHBondContact O-CB 3.32Å; W33-F37 PolarHBondContact O-N 3.48Å; Y34-F37 PolarHBondContact O-N 3.44Å; F37-R39 VanDerWaalsContact C-N 3.33Å; F37-R39 PolarHBondContact O-N 3.01Å; F37-D40 PolarHBondContact O-N 3.4Å; F37-C41 HydrophobicContact CE1-CB 4.32Å; F37-C41 WeakPolarHBondContact O-CA 3.33Å; F37-C41 WeakPolarHBondContact O-CB 3.1Å; F37-C41 PolarHBondContact O-N 2.9Å; F37-L46 HydrophobicContact CE2-CB 4.06Å; F37-L46 HydrophobicContact CZ-CB 4.02Å; F37-F85 HydrophobicContact CB-CD2 3.68Å; F37-F85 HydrophobicContact CB-CE2 4.02Å; F37-F85 HydrophobicContact CD1-CB 4.02Å; F37-F85 AromaticContact CD1-CD2 3.9Å; F37-F85 HydrophobicContact CD1-CD2 3.9Å; F37-F85 HydrophobicContact CD1-CG 4.41Å; F37-F85 HydrophobicContact CD2-CD2 4.24Å; F37-F85 HydrophobicContact CE1-CB 4.05Å; F37-F85 AromaticContact CG-CD2 3.68Å; F37-F85 HydrophobicContact CG-CD2 3.68Å; F37-F85 HydrophobicContact CG-CE2 4.45Å; F37-F88 HydrophobicContact CD2-CB 4.24Å; F37-F88 AromaticContact CD2-CD1 3.71Å; F37-F88 HydrophobicContact CD2-CD1 3.71Å; F37-F88 HydrophobicContact CD2-CD2 4.34Å; F37-F88 HydrophobicContact CD2-CE1 4.16Å; F37-F88 AromaticContact CD2-CG 3.81Å; F37-F88 HydrophobicContact CD2-CG 3.81Å; F37-F88 HydrophobicContact CE2-CB 3.76Å; F37-F88 HydrophobicContact CE2-CD1 4.1Å; F37-F88 HydrophobicContact CE2-CD2 4.15Å; F37-F88 AromaticContact CE2-CG 3.72Å; F37-F88 HydrophobicContact CE2-CG 3.72Å; F37-F88 HydrophobicContact CZ-CB 4.44Å
38I94.3Very high93.7Very high35 Ų3569.1 Ų69.118%0.17933%0.334CS..Hα-helixtrans-71-28.9176.8-62.7-59.9000112.4Y34 G36 C41 P42Y34-I38 HydrophobicContact CD1-CG1 4.23Å; Y34-I38 HydrophobicContact CD2-CG1 4.21Å; Y34-I38 HydrophobicContact CE1-CG1 3.82Å; Y34-I38 HydrophobicContact CE2-CD1 3.95Å; Y34-I38 HydrophobicContact CE2-CG1 3.82Å; Y34-I38 HydrophobicContact CG-CG1 4.43Å; Y34-I38 WeakPolarHBondContact O-CG1 3.31Å; Y34-I38 PolarHBondContact O-N 3.14Å; G36-I38 PolarHBondContact O-N 2.88Å; I38-C41 CarbonylContact O-C 3.42Å; I38-P42 VanDerWaalsContact O-CA 3.25Å; I38-P42 WeakPolarHBondContact O-CA 3.29Å
39R92.7Very high93.5Very high177 Ų17769 Ų6967%0.66833%0.334SS*.Hα-helixtrans-64.9-43.8173.4179.4-165.566.1-159.4-7.8110.4R35 G36 F37R35-R39 VanDerWaalsContact O-CB 3.32Å; R35-R39 WeakPolarHBondContact O-CB 3.29Å; R35-R39 PolarHBondContact O-N 3.41Å; R35-R39 VanDerWaalsContact O-N 3.07Å; G36-R39 WeakPolarHBondContact O-CB 3.43Å; G36-R39 PolarHBondContact O-N 3.37Å; G36-R39 VanDerWaalsContact O-N 3.09Å; F37-R39 VanDerWaalsContact C-N 3.33Å; F37-R39 PolarHBondContact O-N 3.01Å
40D89.7Confident93.3Very high93 Ų9369.6 Ų69.650%0.49734%0.335SS..Hα-helixtrans-87.6-29.1-173.6-57.3-19.6000111.7G36 F37G36-D40 PolarHBondContact O-N 2.72Å; F37-D40 PolarHBondContact O-N 3.4Å
41C91.6Very high93Very high11 Ų1170.3 Ų70.37%0.07434%0.338CS..  trans-125.279.8174.2-60.70000110.6F37 I38 S43 G44F37-C41 HydrophobicContact CE1-CB 4.32Å; F37-C41 WeakPolarHBondContact O-CA 3.33Å; F37-C41 WeakPolarHBondContact O-CB 3.1Å; F37-C41 PolarHBondContact O-N 2.9Å; I38-C41 CarbonylContact O-C 3.42Å; C41-S43 PolarHBondContact O-N 3.24Å; C41-G44 PolarHBondContact O-N 3.27Å
42P91.6Very high92.8Very high96 Ų9667.1 Ų67.162%0.62333%0.325SS*.THydrogen-bonded Turntrans-58.1-24.5-178.5-2735.8000114.8I38 G44I38-P42 VanDerWaalsContact O-CA 3.25Å; I38-P42 WeakPolarHBondContact O-CA 3.29Å; P42-G44 PolarHBondContact O-N 2.83Å
43S91.1Very high92.6Very high68 Ų6866.8 Ų66.848%0.47632%0.324SS..THydrogen-bonded Turntrans-62.9-22.3171.554.90000113K9 C41 Q45K9-S43 PolarHBondContact NZ-O 2.7Å; C41-S43 PolarHBondContact O-N 3.24Å; S43-Q45 VanDerWaalsContact C-N 3.31Å; S43-Q45 PolarHBondContact OG-N 2.94Å; S43-Q45 PolarHBondContact OG-O 2.92Å
44G92.2Very high92.1Very high16 Ų1665.4 Ų65.417%0.16533%0.326CS..SBendtrans78.614.5-168.800000113.8C41 P42C41-G44 PolarHBondContact O-N 3.27Å; P42-G44 PolarHBondContact O-N 2.83Å
45Q93.2Very high91.6Very high69 Ų6966.9 Ų66.932%0.32233%0.332SS..EExtended strand (participates in β ladder)trans-142.8135.7179.2-66.7-178.5-48.600109.6S43 K82 I83S43-Q45 VanDerWaalsContact C-N 3.31Å; S43-Q45 PolarHBondContact OG-N 2.94Å; S43-Q45 PolarHBondContact OG-O 2.92Å; Q45-K82 HydrophobicContact CB-CB 4.22Å; Q45-K82 HydrophobicContact CB-CD 4.04Å; Q45-K82 VanDerWaalsContact CD-CD 3.45Å; Q45-K82 HydrophobicContact CG-CD 4.33Å; Q45-K82 VanDerWaalsContact OE1-NZ 3.11Å; Q45-I83 WeakPolarHBondContact CA-O 3.29Å
46L93.2Very high91.3Very high17 Ų1761 Ų619%0.08932%0.317CS..EExtended strand (participates in β ladder)trans-90.7122.2173.5178.863.3000109.3F37 K50 F51 I83F37-L46 HydrophobicContact CE2-CB 4.06Å; F37-L46 HydrophobicContact CZ-CB 4.02Å; L46-K50 HydrophobicContact CD1-CB 3.73Å; L46-K50 HydrophobicContact CD1-CG 3.62Å; L46-F51 HydrophobicContact CD2-CB 4.48Å; L46-F51 HydrophobicContact CD2-CD2 3.76Å; L46-F51 HydrophobicContact CG-CB 4.46Å; L46-I83 HydrophobicContact CB-CB 4.25Å; L46-I83 PolarHBondContact N-O 3.26Å; L46-I83 PolarHBondContact O-N 2.98Å
47S92.6Very high90.9Very high52 Ų5262.9 Ų62.936%0.36434%0.336SS..EExtended strand (participates in β ladder)trans-84.1153.2177.365.80000111.2K49 K50 F51S47-K49 VanDerWaalsContact C-N 3.25Å; S47-K49 PolarHBondContact O-N 3.29Å; S47-K50 PolarHBondContact O-N 3.03Å; S47-K50 WeakPolarHBondContact OG-CB 3.34Å; S47-K50 PolarHBondContact OG-N 2.85Å; S47-F51 PolarHBondContact O-N 2.91Å
48K92.4Very high90.5Very high75 Ų7569.5 Ų69.533%0.32637%0.365SS..Hα-helixtrans-51.7-44.3173.5-175.1178.7177.2-175.90112.4K50 F51 I52 T69 F72K48-K50 VanDerWaalsContact C-N 3.33Å; K48-K50 PolarHBondContact O-N 2.88Å; K48-F51 WeakPolarHBondContact O-CB 3.44Å; K48-F51 PolarHBondContact O-N 3.02Å; K48-I52 HydrophobicContact CG-CD1 3.94Å; K48-I52 WeakPolarHBondContact O-CG1 3.37Å; K48-I52 PolarHBondContact O-N 2.94Å; K48-T69 WeakPolarHBondContact CE-OG1 3.44Å; K48-T69 PolarHBondContact NZ-OG1 2.97Å; K48-F72 VanDerWaalsContact CA-CE2 3.41Å; K48-F72 HydrophobicContact CB-CD1 4.43Å; K48-F72 HydrophobicContact CB-CD2 4.09Å; K48-F72 HydrophobicContact CB-CE1 4.29Å; K48-F72 HydrophobicContact CB-CE2 3.94Å; K48-F72 HydrophobicContact CB-CG 4.33Å; K48-F72 HydrophobicContact CB-CZ 4.01Å; K48-F72 HydrophobicContact CG-CD2 4.34Å; K48-F72 HydrophobicContact CG-CG 4.3Å; K48-F72 VanDerWaalsContact N-CE2 3.32Å
49K91.9Very high89.9Confident149 Ų14971 Ų7165%0.64837%0.371SS*.Hα-helixtrans-55.9-47175.4-178.2179.2178178.50112S47 F51 I52 E53S47-K49 VanDerWaalsContact C-N 3.25Å; S47-K49 PolarHBondContact O-N 3.29Å; K49-F51 VanDerWaalsContact C-N 3.31Å; K49-F51 PolarHBondContact O-N 2.83Å; K49-I52 PolarHBondContact O-N 2.92Å; K49-E53 VanDerWaalsContact CE-OE1 3.29Å; K49-E53 WeakPolarHBondContact CE-OE1 3.22Å; K49-E53 WeakPolarHBondContact O-CG 3.14Å; K49-E53 PolarHBondContact O-N 3.11Å
50K90.9Very high89.4Confident85 Ų8567.1 Ų67.137%0.3737%0.368SS..Hα-helixtrans-69.5-33.6-179.2-172.853.1171.2170.60111.9L46 S47 K48 E53 V54L46-K50 HydrophobicContact CD1-CB 3.73Å; L46-K50 HydrophobicContact CD1-CG 3.62Å; S47-K50 PolarHBondContact O-N 3.03Å; S47-K50 WeakPolarHBondContact OG-CB 3.34Å; S47-K50 PolarHBondContact OG-N 2.85Å; K48-K50 VanDerWaalsContact C-N 3.33Å; K48-K50 PolarHBondContact O-N 2.88Å; K50-E53 HydrophobicContact CD-CB 4.43Å; K50-E53 WeakPolarHBondContact CD-OE2 3.44Å; K50-E53 IonicContact NZ-OE2 3.62Å; K50-E53 PolarHBondContact NZ-OE2 3.14Å; K50-V54 WeakPolarHBondContact O-CG2 3.41Å; K50-V54 PolarHBondContact O-N 3.02Å
51F90.9Very high89.1Confident16 Ų1669.9 Ų69.97%0.0738%0.383CS..Hα-helixtrans-62.2-49.7174-169.8-95.4000111.3L46 S47 K48 K49 E53 V54 Y55 C68 V71 F72 F75 I83L46-F51 HydrophobicContact CD2-CB 4.48Å; L46-F51 HydrophobicContact CD2-CD2 3.76Å; L46-F51 HydrophobicContact CG-CB 4.46Å; S47-F51 PolarHBondContact O-N 2.91Å; K48-F51 WeakPolarHBondContact O-CB 3.44Å; K48-F51 PolarHBondContact O-N 3.02Å; K49-F51 VanDerWaalsContact C-N 3.31Å; K49-F51 PolarHBondContact O-N 2.83Å; F51-E53 PolarHBondContact O-N 3.48Å; F51-V54 WeakPolarHBondContact O-CB 3.39Å; F51-V54 PolarHBondContact O-N 3.44Å; F51-V54 VanDerWaalsContact O-N 3.17Å; F51-Y55 HydrophobicContact CD1-CD2 4.18Å; F51-Y55 HydrophobicContact CD1-CE2 4.31Å; F51-Y55 AromaticContact CE1-CD2 3.78Å; F51-Y55 HydrophobicContact CE1-CD2 3.78Å; F51-Y55 AromaticContact CE1-CE2 3.53Å; F51-Y55 HydrophobicContact CE1-CE2 3.53Å; F51-Y55 HydrophobicContact CE2-CD2 4.45Å; F51-Y55 AromaticContact CE2-CE2 3.82Å; F51-Y55 HydrophobicContact CE2-CE2 3.82Å; F51-Y55 AromaticContact CZ-CD2 3.92Å; F51-Y55 HydrophobicContact CZ-CD2 3.92Å; F51-Y55 AromaticContact CZ-CE2 3.23Å; F51-Y55 HydrophobicContact CZ-CE2 3.23Å; F51-Y55 AromaticContact CZ-CZ 3.88Å; F51-Y55 PolarHBondContact O-N 3.24Å; F51-C68 HydrophobicContact CD1-CB 3.95Å; F51-C68 HydrophobicContact CE1-CB 4.12Å; F51-V71 HydrophobicContact CE1-CB 4.09Å; F51-V71 HydrophobicContact CE1-CG1 3.82Å; F51-V71 HydrophobicContact CZ-CB 4.27Å; F51-V71 HydrophobicContact CZ-CG1 3.48Å; F51-V71 VanDerWaalsContact CZ-CG1 3.48Å; F51-F72 HydrophobicContact CB-CD2 3.92Å; F51-F72 HydrophobicContact CB-CE2 4.26Å; F51-F72 HydrophobicContact CD1-CB 4.45Å; F51-F72 HydrophobicContact CD1-CD2 4.21Å; F51-F72 HydrophobicContact CD2-CD2 4.45Å; F51-F72 AromaticContact CG-CD2 3.94Å; F51-F72 HydrophobicContact CG-CD2 3.94Å; F51-F75 HydrophobicContact CE2-CD2 4.23Å; F51-F75 HydrophobicContact CE2-CE2 4.21Å; F51-F75 HydrophobicContact CZ-CD2 4.27Å; F51-F75 HydrophobicContact CZ-CE2 4.06Å; F51-I83 HydrophobicContact CD2-CD1 4.36Å
52I91.2Very high88.9Confident24 Ų2470.5 Ų70.512%0.12339%0.391CS..Hα-helixtrans-58.7-48.2175.1-65.2161.9000110.7K48 K49 V54 Y55 S56 E65 C68K48-I52 HydrophobicContact CG-CD1 3.94Å; K48-I52 WeakPolarHBondContact O-CG1 3.37Å; K48-I52 PolarHBondContact O-N 2.94Å; K49-I52 PolarHBondContact O-N 2.92Å; I52-V54 PolarHBondContact O-N 3.41Å; I52-V54 VanDerWaalsContact O-N 3.1Å; I52-Y55 PolarHBondContact O-N 2.92Å; I52-Y55 VanDerWaalsContact O-N 3.07Å; I52-S56 WeakPolarHBondContact O-CB 3.41Å; I52-S56 PolarHBondContact O-N 2.92Å; I52-S56 PolarHBondContact O-OG 3.26Å; I52-S56 VanDerWaalsContact O-OG 3.1Å; I52-E65 HydrophobicContact CD1-CG 4.06Å; I52-C68 HydrophobicContact CB-CB 4.5Å; I52-C68 HydrophobicContact CG1-CB 3.57Å
53E90.6Very high88.8Confident91 Ų9169.6 Ų69.643%0.42538%0.381SS..Hα-helixtrans-52.8-35.7177.5-78.4174.2-163.900113.1K49 K50 F51 G57K49-E53 VanDerWaalsContact CE-OE1 3.29Å; K49-E53 WeakPolarHBondContact CE-OE1 3.22Å; K49-E53 WeakPolarHBondContact O-CG 3.14Å; K49-E53 PolarHBondContact O-N 3.11Å; K50-E53 HydrophobicContact CD-CB 4.43Å; K50-E53 WeakPolarHBondContact CD-OE2 3.44Å; K50-E53 IonicContact NZ-OE2 3.62Å; K50-E53 PolarHBondContact NZ-OE2 3.14Å; F51-E53 PolarHBondContact O-N 3.48Å; E53-G57 PolarHBondContact O-N 3.39Å
54V86.1Confident88.7Confident69 Ų6966.4 Ų66.442%0.41836%0.359SS..Hα-helixtrans-71.6-48.4178.2170.20000110.7K50 F51 I52 G57 F58K50-V54 WeakPolarHBondContact O-CG2 3.41Å; K50-V54 PolarHBondContact O-N 3.02Å; F51-V54 WeakPolarHBondContact O-CB 3.39Å; F51-V54 PolarHBondContact O-N 3.44Å; F51-V54 VanDerWaalsContact O-N 3.17Å; I52-V54 PolarHBondContact O-N 3.41Å; I52-V54 VanDerWaalsContact O-N 3.1Å; V54-G57 PolarHBondContact O-N 3.19Å; V54-F58 HydrophobicContact CG1-CD2 4.25Å; V54-F58 HydrophobicContact CG1-CE2 3.7Å; V54-F58 WeakPolarHBondContact O-CD2 3.43Å
55Y84Confident88.7Confident61 Ų6170.6 Ų70.624%0.23937%0.374CS..Hα-helixtrans-65.8-42.9179.8-90.8-103.7000112.8F51 I52 G57 F58 F59 F67 C68 M134F51-Y55 HydrophobicContact CD1-CD2 4.18Å; F51-Y55 HydrophobicContact CD1-CE2 4.31Å; F51-Y55 AromaticContact CE1-CD2 3.78Å; F51-Y55 HydrophobicContact CE1-CD2 3.78Å; F51-Y55 AromaticContact CE1-CE2 3.53Å; F51-Y55 HydrophobicContact CE1-CE2 3.53Å; F51-Y55 HydrophobicContact CE2-CD2 4.45Å; F51-Y55 AromaticContact CE2-CE2 3.82Å; F51-Y55 HydrophobicContact CE2-CE2 3.82Å; F51-Y55 AromaticContact CZ-CD2 3.92Å; F51-Y55 HydrophobicContact CZ-CD2 3.92Å; F51-Y55 AromaticContact CZ-CE2 3.23Å; F51-Y55 HydrophobicContact CZ-CE2 3.23Å; F51-Y55 AromaticContact CZ-CZ 3.88Å; F51-Y55 PolarHBondContact O-N 3.24Å; I52-Y55 PolarHBondContact O-N 2.92Å; I52-Y55 VanDerWaalsContact O-N 3.07Å; Y55-G57 PolarHBondContact O-N 3.19Å; Y55-G57 VanDerWaalsContact O-N 3.15Å; Y55-F58 WeakPolarHBondContact O-CA 3.35Å; Y55-F58 PolarHBondContact O-N 2.87Å; Y55-F59 HydrophobicContact CD1-CD2 4.45Å; Y55-F59 HydrophobicContact CD1-CE2 4.2Å; Y55-F59 WeakPolarHBondContact O-CD2 3.46Å; Y55-F59 PolarHBondContact O-N 3.08Å; Y55-F67 HydrophobicContact CE1-CE1 4.29Å; Y55-C68 WeakPolarHBondContact CB-SG 3.46Å; Y55-M134 HydrophobicContact CD1-SD 4.41Å
56S88.4Confident88.7Confident46 Ų4672.1 Ų72.132%0.32238%0.381SS..Hα-helixtrans-59.3-26.2174-570000112.5I52 F58 F59I52-S56 WeakPolarHBondContact O-CB 3.41Å; I52-S56 PolarHBondContact O-N 2.92Å; I52-S56 PolarHBondContact O-OG 3.26Å; I52-S56 VanDerWaalsContact O-OG 3.1Å; S56-F58 VanDerWaalsContact C-N 3.34Å; S56-F59 CarbonylContact O-C 3.58Å
57G87.3Confident88.6Confident59 Ų5972.3 Ų72.361%0.60838%0.381SS*.Hα-helixtrans-71.1-25.8172.800000114.1E53 V54 Y55E53-G57 PolarHBondContact O-N 3.39Å; V54-G57 PolarHBondContact O-N 3.19Å; Y55-G57 PolarHBondContact O-N 3.19Å; Y55-G57 VanDerWaalsContact O-N 3.15Å
58F84.3Confident88.5Confident151 Ų15169.8 Ų69.866%0.66236%0.364SS*.Hα-helixtrans-88.2-29.8175.7-69-69.2000112.9V54 Y55 S56 P60V54-F58 HydrophobicContact CG1-CD2 4.25Å; V54-F58 HydrophobicContact CG1-CE2 3.7Å; V54-F58 WeakPolarHBondContact O-CD2 3.43Å; Y55-F58 WeakPolarHBondContact O-CA 3.35Å; Y55-F58 PolarHBondContact O-N 2.87Å; S56-F58 VanDerWaalsContact C-N 3.34Å; F58-P60 VanDerWaalsContact O-CD 3.24Å; F58-P60 WeakPolarHBondContact O-CD 3.45Å
59F81.6Confident88.6Confident67 Ų6768.4 Ų68.429%0.29436%0.362SS..  trans-118.667.3180-59.1-81.2000110.2Y55 S56 D61 G62 M134 L135Y55-F59 HydrophobicContact CD1-CD2 4.45Å; Y55-F59 HydrophobicContact CD1-CE2 4.2Å; Y55-F59 WeakPolarHBondContact O-CD2 3.46Å; Y55-F59 PolarHBondContact O-N 3.08Å; S56-F59 CarbonylContact O-C 3.58Å; F59-D61 PolarHBondContact O-N 3.14Å; F59-G62 PolarHBondContact O-N 3.08Å; F59-M134 HydrophobicContact CB-CG 4.13Å; F59-M134 WeakPolarHBondContact CB-O 3.45Å; F59-M134 HydrophobicContact CD1-CG 4.24Å; F59-M134 HydrophobicContact CD2-CG 3.91Å; F59-M134 HydrophobicContact CD2-SD 3.84Å; F59-M134 HydrophobicContact CE1-CE 4.29Å; F59-M134 HydrophobicContact CE2-CE 4.24Å; F59-M134 HydrophobicContact CE2-CG 4.39Å; F59-M134 HydrophobicContact CE2-SD 3.79Å; F59-M134 HydrophobicContact CG-CG 3.83Å; F59-M134 HydrophobicContact CG-SD 4.31Å; F59-M134 HydrophobicContact CZ-CE 4.04Å; F59-M134 HydrophobicContact CZ-SD 4.21Å; F59-L135 HydrophobicContact CD1-CD2 4.25Å; F59-L135 HydrophobicContact CE1-CD2 3.99Å
60P82.7Confident88.6Confident95 Ų9561.9 Ų61.962%0.61733%0.333SS*.THydrogen-bonded Turntrans-67.9-21.7-173.829-36.6000113.6F58F58-P60 VanDerWaalsContact O-CD 3.24Å; F58-P60 WeakPolarHBondContact O-CD 3.45Å
61D83.8Confident88.7Confident150 Ų15057.9 Ų57.980%0.80232%0.316SS*.THydrogen-bonded Turntrans-91.9-4.5-175.4-59.3-45.9000113.2F59F59-D61 PolarHBondContact O-N 3.14Å
62G86.7Confident88.7Confident25 Ų2557.5 Ų57.526%0.25832%0.315SS..SBendtrans-128.4-173.7179.300000113.5F59 S133 M134F59-G62 PolarHBondContact O-N 3.08Å; G62-S133 CarbonylContact C-O 3.59Å; G62-S133 WeakPolarHBondContact CA-O 3.16Å; G62-M134 WeakPolarHBondContact CA-O 3.43Å
63D90.3Very high88.8Confident77 Ų7759.6 Ų59.641%0.41232%0.321SS..  trans-115.1104.1175.5-174.4-3.5000111.1E65 S133 M134D63-E65 VanDerWaalsContact C-N 3.32Å; D63-E65 PolarHBondContact O-N 3.31Å; D63-E65 VanDerWaalsContact OD1-CB 3.25Å; D63-E65 WeakPolarHBondContact OD1-CB 3.36Å; D63-E65 PolarHBondContact OD1-N 3.18Å; D63-S133 PolarHBondContact N-O 3.39Å; D63-S133 CarbonylContact O-C 3.46Å; D63-S133 PolarHBondContact O-OG 3.25Å; D63-M134 VanDerWaalsContact O-CA 3.25Å; D63-M134 WeakPolarHBondContact O-CA 3.47Å; D63-M134 PolarHBondContact O-N 3.05Å; D63-M134 VanDerWaalsContact O-N 3.16Å
64A89.5Confident88.8Confident0 Ų055.5 Ų55.50%030%0.302CS..  trans-81.9-3.3-178.900000113.9E66 F67 C68 M134A64-E66 PolarHBondContact O-N 2.9Å; A64-F67 PolarHBondContact O-N 3.22Å; A64-C68 WeakPolarHBondContact O-CB 3.32Å; A64-C68 PolarHBondContact O-N 3.12Å; A64-C68 PolarHBondContact O-SG 3.24Å; A64-M134 HydrophobicContact CB-CG 3.92Å; A64-M134 HydrophobicContact CB-SD 4.45Å
65E92.2Very high89.1Confident105 Ų10553.1 Ų53.149%0.49129%0.286SS..Hα-helixtrans-60.8-48.4-169.5178162.3-167.900113.3I52 D63 T69I52-E65 HydrophobicContact CD1-CG 4.06Å; D63-E65 VanDerWaalsContact C-N 3.32Å; D63-E65 PolarHBondContact O-N 3.31Å; D63-E65 VanDerWaalsContact OD1-CB 3.25Å; D63-E65 WeakPolarHBondContact OD1-CB 3.36Å; D63-E65 PolarHBondContact OD1-N 3.18Å; E65-T69 PolarHBondContact O-N 2.92Å; E65-T69 PolarHBondContact O-OG1 2.99Å
66E92Very high89.5Confident100 Ų10050.7 Ų50.747%0.46728%0.277SS..Hα-helixtrans-65.3-48179.4-67.4-173.916400110.8A64 C68 T69 H70 A130A64-E66 PolarHBondContact O-N 2.9Å; E66-C68 VanDerWaalsContact C-N 3.34Å; E66-C68 PolarHBondContact O-N 3.42Å; E66-T69 WeakPolarHBondContact O-CA 3.21Å; E66-T69 WeakPolarHBondContact O-CB 3.49Å; E66-T69 PolarHBondContact O-N 2.95Å; E66-H70 PolarHBondContact O-CD2 2.96Å; E66-H70 PolarHBondContact O-N 2.6Å; E66-A130 HydrophobicContact CB-CB 3.76Å
67F90.9Very high89.4Confident21 Ų2154 Ų549%0.09229%0.286CS..Hα-helixtrans-61.9-44.5179.8-176.3-103.7000111.5Y55 A64 T69 H70 V71 M110 A130 I131 M134Y55-F67 HydrophobicContact CE1-CE1 4.29Å; A64-F67 PolarHBondContact O-N 3.22Å; F67-T69 PolarHBondContact O-N 2.82Å; F67-H70 PolarHBondContact O-N 2.89Å; F67-H70 VanDerWaalsContact O-N 3.16Å; F67-V71 HydrophobicContact CD1-CG2 3.9Å; F67-V71 HydrophobicContact CE1-CG2 3.52Å; F67-V71 HydrophobicContact CE2-CG2 4.33Å; F67-V71 HydrophobicContact CG-CG2 4.49Å; F67-V71 HydrophobicContact CZ-CG2 3.76Å; F67-V71 WeakPolarHBondContact O-CG2 3.42Å; F67-V71 PolarHBondContact O-N 2.65Å; F67-M110 HydrophobicContact CE2-SD 3.99Å; F67-M110 HydrophobicContact CZ-SD 4.37Å; F67-A130 HydrophobicContact CB-CB 4.1Å; F67-I131 HydrophobicContact CD2-CG1 3.65Å; F67-I131 HydrophobicContact CE2-CD1 4.25Å; F67-I131 HydrophobicContact CE2-CG1 3.62Å; F67-M134 HydrophobicContact CB-CB 4.25Å; F67-M134 HydrophobicContact CB-SD 4.12Å; F67-M134 HydrophobicContact CD1-CE 3.88Å; F67-M134 HydrophobicContact CD1-SD 3.27Å; F67-M134 WeakPolarHBondContact CD1-SD 3.22Å; F67-M134 HydrophobicContact CE1-CE 3.97Å; F67-M134 HydrophobicContact CE1-SD 3.83Å; F67-M134 HydrophobicContact CG-CE 4.25Å; F67-M134 HydrophobicContact CG-SD 3.82Å; F67-M134 HydrophobicContact CZ-CE 4.45Å
68C92Very high89.6Confident0 Ų056 Ų560%028%0.283CS..Hα-helixtrans-59.4-32173.9-75.40000112.5F51 I52 Y55 A64 E66 F72F51-C68 HydrophobicContact CD1-CB 3.95Å; F51-C68 HydrophobicContact CE1-CB 4.12Å; I52-C68 HydrophobicContact CB-CB 4.5Å; I52-C68 HydrophobicContact CG1-CB 3.57Å; Y55-C68 WeakPolarHBondContact CB-SG 3.46Å; A64-C68 WeakPolarHBondContact O-CB 3.32Å; A64-C68 PolarHBondContact O-N 3.12Å; A64-C68 PolarHBondContact O-SG 3.24Å; E66-C68 VanDerWaalsContact C-N 3.34Å; E66-C68 PolarHBondContact O-N 3.42Å; C68-F72 WeakPolarHBondContact O-CB 3.36Å; C68-F72 PolarHBondContact O-N 2.88Å
69T92.9Very high89.8Confident46 Ų4654.9 Ų54.928%0.28228%0.284SS..Hα-helixtrans-63.6-45.9176.9-62.80000111.2K48 E65 E66 F67 R73K48-T69 WeakPolarHBondContact CE-OG1 3.44Å; K48-T69 PolarHBondContact NZ-OG1 2.97Å; E65-T69 PolarHBondContact O-N 2.92Å; E65-T69 PolarHBondContact O-OG1 2.99Å; E66-T69 WeakPolarHBondContact O-CA 3.21Å; E66-T69 WeakPolarHBondContact O-CB 3.49Å; E66-T69 PolarHBondContact O-N 2.95Å; F67-T69 PolarHBondContact O-N 2.82Å; T69-R73 PolarHBondContact O-N 3.09Å
70H93.1Very high90.3Very high11 Ų1154.5 Ų54.55%0.05129%0.289CS..Hα-helixtrans-67.5-46.2177.5-62.2-65.7000111.9E66 F67 F72 R73 T74 M110 E126 I127E66-H70 PolarHBondContact O-CD2 2.96Å; E66-H70 PolarHBondContact O-N 2.6Å; F67-H70 PolarHBondContact O-N 2.89Å; F67-H70 VanDerWaalsContact O-N 3.16Å; H70-F72 VanDerWaalsContact C-N 3.33Å; H70-F72 PolarHBondContact O-N 2.69Å; H70-R73 PolarHBondContact ND1-NH1 2.97Å; H70-R73 WeakPolarHBondContact O-CB 3.43Å; H70-R73 PolarHBondContact O-N 2.84Å; H70-T74 WeakPolarHBondContact O-CG2 3.28Å; H70-T74 PolarHBondContact O-N 3.17Å; H70-T74 VanDerWaalsContact O-N 3.15Å; H70-M110 HydrophobicContact CB-CG 3.97Å; H70-E126 IonicContact CE1-OE1 2.97Å; H70-E126 PolarHBondContact CE1-OE1 3.27Å; H70-E126 IonicContact NE2-OE1 2.65Å; H70-I127 HydrophobicContact CB-CD1 3.71Å; H70-I127 VanDerWaalsContact CD2-CD1 3.43Å; H70-I127 WeakPolarHBondContact CD2-CD1 3.37Å; H70-I127 WeakPolarHBondContact ND1-CD1 3.33Å
71V91.6Very high90.8Very high1 Ų152 Ų521%0.00628%0.281CS..Hα-helixtrans-58.1-47.2175.9175.70000110.7F51 F67 R73 T74 F75 W106 M110F51-V71 HydrophobicContact CE1-CB 4.09Å; F51-V71 HydrophobicContact CE1-CG1 3.82Å; F51-V71 HydrophobicContact CZ-CB 4.27Å; F51-V71 HydrophobicContact CZ-CG1 3.48Å; F51-V71 VanDerWaalsContact CZ-CG1 3.48Å; F67-V71 HydrophobicContact CD1-CG2 3.9Å; F67-V71 HydrophobicContact CE1-CG2 3.52Å; F67-V71 HydrophobicContact CE2-CG2 4.33Å; F67-V71 HydrophobicContact CG-CG2 4.49Å; F67-V71 HydrophobicContact CZ-CG2 3.76Å; F67-V71 WeakPolarHBondContact O-CG2 3.42Å; F67-V71 PolarHBondContact O-N 2.65Å; V71-R73 VanDerWaalsContact C-N 3.34Å; V71-R73 PolarHBondContact O-N 2.77Å; V71-T74 PolarHBondContact O-N 2.89Å; V71-T74 VanDerWaalsContact O-N 3.14Å; V71-T74 PolarHBondContact O-OG1 3.13Å; V71-F75 HydrophobicContact CG1-CD2 3.9Å; V71-F75 HydrophobicContact CG1-CE2 3.38Å; V71-F75 HydrophobicContact CG1-CZ 3.79Å; V71-F75 PolarHBondContact O-N 3.22Å; V71-W106 HydrophobicContact CG1-CZ2 4.21Å; V71-M110 HydrophobicContact CG2-CE 3.74Å; V71-M110 HydrophobicContact CG2-SD 4.2Å
72F92.5Very high91.3Very high9 Ų949.2 Ų49.24%0.03926%0.262CS..Hα-helixtrans-60.1-43.7179.9-168.1-80.9000111.8K48 F51 C68 H70 T74 F75 D76 I83K48-F72 VanDerWaalsContact CA-CE2 3.41Å; K48-F72 HydrophobicContact CB-CD1 4.43Å; K48-F72 HydrophobicContact CB-CD2 4.09Å; K48-F72 HydrophobicContact CB-CE1 4.29Å; K48-F72 HydrophobicContact CB-CE2 3.94Å; K48-F72 HydrophobicContact CB-CG 4.33Å; K48-F72 HydrophobicContact CB-CZ 4.01Å; K48-F72 HydrophobicContact CG-CD2 4.34Å; K48-F72 HydrophobicContact CG-CG 4.3Å; K48-F72 VanDerWaalsContact N-CE2 3.32Å; F51-F72 HydrophobicContact CB-CD2 3.92Å; F51-F72 HydrophobicContact CB-CE2 4.26Å; F51-F72 HydrophobicContact CD1-CB 4.45Å; F51-F72 HydrophobicContact CD1-CD2 4.21Å; F51-F72 HydrophobicContact CD2-CD2 4.45Å; F51-F72 AromaticContact CG-CD2 3.94Å; F51-F72 HydrophobicContact CG-CD2 3.94Å; C68-F72 WeakPolarHBondContact O-CB 3.36Å; C68-F72 PolarHBondContact O-N 2.88Å; H70-F72 VanDerWaalsContact C-N 3.33Å; H70-F72 PolarHBondContact O-N 2.69Å; F72-T74 VanDerWaalsContact C-N 3.27Å; F72-T74 PolarHBondContact O-N 3.29Å; F72-F75 PolarHBondContact O-N 3.24Å; F72-F75 VanDerWaalsContact O-N 3.12Å; F72-D76 HydrophobicContact CD1-CB 4.12Å; F72-D76 HydrophobicContact CE1-CB 3.96Å; F72-D76 WeakPolarHBondContact O-CB 3.41Å; F72-D76 PolarHBondContact O-N 2.84Å; F72-I83 HydrophobicContact CD2-CD1 3.42Å; F72-I83 VanDerWaalsContact CD2-CD1 3.42Å; F72-I83 HydrophobicContact CD2-CG1 4.05Å; F72-I83 HydrophobicContact CE1-CG1 4.26Å; F72-I83 HydrophobicContact CE2-CB 4.44Å; F72-I83 HydrophobicContact CE2-CD1 3.48Å; F72-I83 VanDerWaalsContact CE2-CD1 3.48Å; F72-I83 HydrophobicContact CE2-CG1 3.66Å; F72-I83 HydrophobicContact CG-CD1 4.02Å; F72-I83 HydrophobicContact CZ-CD1 4.12Å; F72-I83 HydrophobicContact CZ-CG1 3.8Å
73R92.8Very high91.6Very high67 Ų6748.1 Ų48.125%0.25325%0.25SC..Hα-helixtrans-56.2-41.7175.8-174.9-168.671.9-145.7-2.7111.8T69 H70 V71 F75 Q109 M110 D112 I113T69-R73 PolarHBondContact O-N 3.09Å; H70-R73 PolarHBondContact ND1-NH1 2.97Å; H70-R73 WeakPolarHBondContact O-CB 3.43Å; H70-R73 PolarHBondContact O-N 2.84Å; V71-R73 VanDerWaalsContact C-N 3.34Å; V71-R73 PolarHBondContact O-N 2.77Å; R73-F75 VanDerWaalsContact C-N 3.29Å; R73-F75 PolarHBondContact O-N 3.3Å; R73-Q109 PolarHBondContact NH2-O 3.34Å; R73-M110 PolarHBondContact NH2-O 3.19Å; R73-D112 PolarHBondContact NH2-O 2.97Å; R73-I113 VanDerWaalsContact NH1-CA 3.27Å; R73-I113 VanDerWaalsContact NH1-CG2 3.35Å; R73-I113 PolarHBondContact NH1-O 3.03Å
74T91.2Very high91.8Very high6 Ų646.2 Ų46.24%0.03724%0.24CC..Hα-helixtrans-70.8-24.8-179.765.60000114H70 V71 F72 K77 W106 Q109 M110H70-T74 WeakPolarHBondContact O-CG2 3.28Å; H70-T74 PolarHBondContact O-N 3.17Å; H70-T74 VanDerWaalsContact O-N 3.15Å; V71-T74 PolarHBondContact O-N 2.89Å; V71-T74 VanDerWaalsContact O-N 3.14Å; V71-T74 PolarHBondContact O-OG1 3.13Å; F72-T74 VanDerWaalsContact C-N 3.27Å; F72-T74 PolarHBondContact O-N 3.29Å; T74-K77 WeakPolarHBondContact O-CD 3.33Å; T74-K77 WeakPolarHBondContact O-CE 3.4Å; T74-K77 PolarHBondContact O-NZ 3.25Å; T74-W106 WeakPolarHBondContact OG1-CZ2 3.46Å; T74-W106 PolarHBondContact OG1-NE1 2.99Å; T74-Q109 HydrophobicContact CG2-CB 4.5Å; T74-Q109 WeakPolarHBondContact CG2-O 3.44Å; T74-M110 VanDerWaalsContact CG2-CA 3.4Å; T74-M110 HydrophobicContact CG2-CB 3.75Å; T74-M110 HydrophobicContact CG2-CG 4.12Å
75F91Very high92.1Very high19 Ų1946.7 Ų46.78%0.08324%0.242CC..Hα-helixtrans-88.7-35.5179-66.3-19.7000113.1F51 V71 F72 R73 K77 I83 E87 A91 T95 W106F51-F75 HydrophobicContact CE2-CD2 4.23Å; F51-F75 HydrophobicContact CE2-CE2 4.21Å; F51-F75 HydrophobicContact CZ-CD2 4.27Å; F51-F75 HydrophobicContact CZ-CE2 4.06Å; V71-F75 HydrophobicContact CG1-CD2 3.9Å; V71-F75 HydrophobicContact CG1-CE2 3.38Å; V71-F75 HydrophobicContact CG1-CZ 3.79Å; V71-F75 PolarHBondContact O-N 3.22Å; F72-F75 PolarHBondContact O-N 3.24Å; F72-F75 VanDerWaalsContact O-N 3.12Å; R73-F75 VanDerWaalsContact C-N 3.29Å; R73-F75 PolarHBondContact O-N 3.3Å; F75-K77 PolarHBondContact O-N 3.45Å; F75-I83 HydrophobicContact CB-CD1 3.62Å; F75-I83 HydrophobicContact CB-CG1 4.04Å; F75-I83 HydrophobicContact CD2-CD1 4.02Å; F75-I83 HydrophobicContact CG-CD1 4.36Å; F75-E87 WeakPolarHBondContact O-CB 3.38Å; F75-E87 WeakPolarHBondContact O-CG 3.27Å; F75-A91 HydrophobicContact CB-CB 4.5Å; F75-A91 HydrophobicContact CD1-CB 3.32Å; F75-A91 HydrophobicContact CD2-CB 3.88Å; F75-A91 HydrophobicContact CE1-CB 3.23Å; F75-A91 HydrophobicContact CE2-CB 3.82Å; F75-A91 HydrophobicContact CG-CB 3.65Å; F75-A91 HydrophobicContact CZ-CB 3.52Å; F75-T95 HydrophobicContact CE1-CG2 4.5Å; F75-T95 HydrophobicContact CZ-CG2 4.24Å; F75-W106 HydrophobicContact CD1-CZ2 4.26Å; F75-W106 AromaticContact CD1-NE1 3.58Å; F75-W106 AromaticContact CE1-CE2 3.43Å; F75-W106 VanDerWaalsContact CE1-CE2 3.43Å; F75-W106 HydrophobicContact CE1-CH2 4.46Å; F75-W106 AromaticContact CE1-CZ2 3.35Å; F75-W106 HydrophobicContact CE1-CZ2 3.35Å; F75-W106 AromaticContact CE1-NE1 3.22Å; F75-W106 HydrophobicContact CZ-CH2 4.33Å; F75-W106 AromaticContact CZ-CZ2 3.53Å; F75-W106 HydrophobicContact CZ-CZ2 3.53Å
76D92.9Very high92.2Very high9 Ų944.7 Ų44.75%0.04823%0.232CC..  trans-74.873175.6-175.310.3000110.4F72 D78 N79 S80 G81 K82 I83F72-D76 HydrophobicContact CD1-CB 4.12Å; F72-D76 HydrophobicContact CE1-CB 3.96Å; F72-D76 WeakPolarHBondContact O-CB 3.41Å; F72-D76 PolarHBondContact O-N 2.84Å; D76-D78 PolarHBondContact O-N 2.9Å; D76-D78 VanDerWaalsContact OD1-OD1 3.12Å; D76-N79 PolarHBondContact O-N 3.45Å; D76-N79 VanDerWaalsContact O-N 3.12Å; D76-N79 WeakPolarHBondContact OD1-CA 3.36Å; D76-N79 PolarHBondContact OD1-N 3Å; D76-N79 VanDerWaalsContact OD1-N 3.14Å; D76-S80 PolarHBondContact OD1-N 3.27Å; D76-S80 PolarHBondContact OD1-OG 3.43Å; D76-S80 PolarHBondContact OD2-N 3.14Å; D76-G81 WeakPolarHBondContact OD2-CA 3.33Å; D76-G81 PolarHBondContact OD2-N 2.96Å; D76-K82 PolarHBondContact OD2-N 2.83Å; D76-I83 HydrophobicContact CB-CG1 4.44Å
77K86.9Confident92.4Very high116 Ų11640.6 Ų40.650%0.50421%0.212SC..THydrogen-bonded Turntrans-66.3-28.6-173-69.3-54.6-168.9-164.40112.2T74 F75 E87T74-K77 WeakPolarHBondContact O-CD 3.33Å; T74-K77 WeakPolarHBondContact O-CE 3.4Å; T74-K77 PolarHBondContact O-NZ 3.25Å; F75-K77 PolarHBondContact O-N 3.45Å; K77-E87 PolarHBondContact N-OE1 2.93Å
78D90.1Very high92.5Very high101 Ų10141.6 Ų41.654%0.5422%0.217SC..THydrogen-bonded Turntrans-91.40.3176.876.23.2000113.9D76 S80 E87D76-D78 PolarHBondContact O-N 2.9Å; D76-D78 VanDerWaalsContact OD1-OD1 3.12Å; D78-S80 PolarHBondContact O-N 3.11Å; D78-S80 WeakPolarHBondContact OD1-CB 3.32Å; D78-S80 PolarHBondContact OD1-N 3.09Å; D78-S80 PolarHBondContact OD1-OG 3.48Å; D78-E87 PolarHBondContact N-OE1 3.35Å
79N89.6Confident92.6Very high127 Ų12741.6 Ų41.668%0.67922%0.217SC*.  trans53.533.4-177.1-61.4-71.2000113.1D76 G81D76-N79 PolarHBondContact O-N 3.45Å; D76-N79 VanDerWaalsContact O-N 3.12Å; D76-N79 WeakPolarHBondContact OD1-CA 3.36Å; D76-N79 PolarHBondContact OD1-N 3Å; D76-N79 VanDerWaalsContact OD1-N 3.14Å; N79-G81 PolarHBondContact O-N 3.02Å
80S92.7Very high92.6Very high59 Ų5941.4 Ų41.441%0.41321%0.214SC..SBendtrans-75-5.9178.9670000113.4D76 D78 K82D76-S80 PolarHBondContact OD1-N 3.27Å; D76-S80 PolarHBondContact OD1-OG 3.43Å; D76-S80 PolarHBondContact OD2-N 3.14Å; D78-S80 PolarHBondContact O-N 3.11Å; D78-S80 WeakPolarHBondContact OD1-CB 3.32Å; D78-S80 PolarHBondContact OD1-N 3.09Å; D78-S80 PolarHBondContact OD1-OG 3.48Å; S80-K82 PolarHBondContact OG-N 3.14Å; S80-K82 PolarHBondContact OG-O 2.99Å
81G92.4Very high92.5Very high43 Ų4341.1 Ų41.144%0.44321%0.214SC..SBendtrans7711.8-172.600000112.8D76 N79D76-G81 WeakPolarHBondContact OD2-CA 3.33Å; D76-G81 PolarHBondContact OD2-N 2.96Å; N79-G81 PolarHBondContact O-N 3.02Å
82K93.6Very high92.4Very high92 Ų9243 Ų4340%0.422%0.223SC..EExtended strand (participates in β ladder)trans-149138.1-172.2-66.4-174.7-173.41700109.8Q45 D76 S80Q45-K82 HydrophobicContact CB-CB 4.22Å; Q45-K82 HydrophobicContact CB-CD 4.04Å; Q45-K82 VanDerWaalsContact CD-CD 3.45Å; Q45-K82 HydrophobicContact CG-CD 4.33Å; Q45-K82 VanDerWaalsContact OE1-NZ 3.11Å; D76-K82 PolarHBondContact OD2-N 2.83Å; S80-K82 PolarHBondContact OG-N 3.14Å; S80-K82 PolarHBondContact OG-O 2.99Å
83I94.6Very high92.3Very high1 Ų143.1 Ų43.11%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-91117.7174.7-65.7168.4000108.8Q45 L46 F51 F72 F75 D76 E87 F88Q45-I83 WeakPolarHBondContact CA-O 3.29Å; L46-I83 HydrophobicContact CB-CB 4.25Å; L46-I83 PolarHBondContact N-O 3.26Å; L46-I83 PolarHBondContact O-N 2.98Å; F51-I83 HydrophobicContact CD2-CD1 4.36Å; F72-I83 HydrophobicContact CD2-CD1 3.42Å; F72-I83 VanDerWaalsContact CD2-CD1 3.42Å; F72-I83 HydrophobicContact CD2-CG1 4.05Å; F72-I83 HydrophobicContact CE1-CG1 4.26Å; F72-I83 HydrophobicContact CE2-CB 4.44Å; F72-I83 HydrophobicContact CE2-CD1 3.48Å; F72-I83 VanDerWaalsContact CE2-CD1 3.48Å; F72-I83 HydrophobicContact CE2-CG1 3.66Å; F72-I83 HydrophobicContact CG-CD1 4.02Å; F72-I83 HydrophobicContact CZ-CD1 4.12Å; F72-I83 HydrophobicContact CZ-CG1 3.8Å; F75-I83 HydrophobicContact CB-CD1 3.62Å; F75-I83 HydrophobicContact CB-CG1 4.04Å; F75-I83 HydrophobicContact CD2-CD1 4.02Å; F75-I83 HydrophobicContact CG-CD1 4.36Å; D76-I83 HydrophobicContact CB-CG1 4.44Å; I83-E87 WeakPolarHBondContact CA-OE2 3.34Å; I83-E87 HydrophobicContact CG2-CB 3.8Å; I83-F88 HydrophobicContact CG2-CB 3.83Å
84D94.3Very high92.1Very high38 Ų3841.9 Ų41.920%0.20322%0.222CC..EExtended strand (participates in β ladder)trans-77.9175.5171.989.58.4000112.1K86 E87 F88D84-K86 VanDerWaalsContact C-N 3.31Å; D84-K86 PolarHBondContact O-N 3.41Å; D84-K86 WeakPolarHBondContact OD1-CA 3.46Å; D84-K86 VanDerWaalsContact OD1-CB 3.31Å; D84-K86 WeakPolarHBondContact OD1-CB 3.42Å; D84-K86 PolarHBondContact OD1-N 2.99Å; D84-K86 WeakPolarHBondContact OD2-CE 3.45Å; D84-E87 PolarHBondContact N-OE2 3.28Å; D84-E87 PolarHBondContact OD1-N 3.47Å; D84-F88 WeakPolarHBondContact O-CB 3.44Å; D84-F88 PolarHBondContact O-N 2.94Å
85F95.1Very high91.7Very high10 Ų1044.1 Ų44.14%0.04424%0.236CC..Hα-helixtrans-65.3-33.2-179177.4-108.8000113.6L11 L19 I30 W33 Y34 F37 F88 L89L11-F85 HydrophobicContact CD1-CD1 3.59Å; L11-F85 HydrophobicContact CD1-CE1 3.84Å; L11-F85 HydrophobicContact CD2-CE1 4.14Å; L19-F85 HydrophobicContact CD1-CD1 3.9Å; L19-F85 HydrophobicContact CD1-CE1 3.59Å; I30-F85 HydrophobicContact CG2-CE1 3.94Å; I30-F85 HydrophobicContact CG2-CZ 4.24Å; I30-F85 WeakPolarHBondContact O-CZ 3.46Å; W33-F85 HydrophobicContact CB-CE2 3.94Å; W33-F85 HydrophobicContact CB-CZ 3.94Å; Y34-F85 VanDerWaalsContact CA-CZ 3.47Å; Y34-F85 HydrophobicContact CD2-CB 4.2Å; Y34-F85 AromaticContact CD2-CD1 3.52Å; Y34-F85 HydrophobicContact CD2-CD1 3.52Å; Y34-F85 AromaticContact CD2-CD2 3.91Å; Y34-F85 HydrophobicContact CD2-CD2 3.91Å; Y34-F85 AromaticContact CD2-CE1 3.78Å; Y34-F85 HydrophobicContact CD2-CE1 3.78Å; Y34-F85 HydrophobicContact CD2-CE2 4.18Å; Y34-F85 AromaticContact CD2-CG 3.56Å; Y34-F85 HydrophobicContact CD2-CG 3.56Å; Y34-F85 HydrophobicContact CD2-CZ 4.11Å; Y34-F85 HydrophobicContact CE2-CB 4.35Å; Y34-F85 HydrophobicContact CE2-CD1 4.24Å; Y34-F85 HydrophobicContact CE2-CG 4.19Å; Y34-F85 HydrophobicContact CG-CD1 4.42Å; Y34-F85 HydrophobicContact CG-CE1 4.26Å; Y34-F85 HydrophobicContact CG-CZ 4.36Å; Y34-F85 VanDerWaalsContact N-CE2 3.32Å; Y34-F85 VanDerWaalsContact N-CZ 3.31Å; F37-F85 HydrophobicContact CB-CD2 3.68Å; F37-F85 HydrophobicContact CB-CE2 4.02Å; F37-F85 HydrophobicContact CD1-CB 4.02Å; F37-F85 AromaticContact CD1-CD2 3.9Å; F37-F85 HydrophobicContact CD1-CD2 3.9Å; F37-F85 HydrophobicContact CD1-CG 4.41Å; F37-F85 HydrophobicContact CD2-CD2 4.24Å; F37-F85 HydrophobicContact CE1-CB 4.05Å; F37-F85 AromaticContact CG-CD2 3.68Å; F37-F85 HydrophobicContact CG-CD2 3.68Å; F37-F85 HydrophobicContact CG-CE2 4.45Å; F85-F88 HydrophobicContact CD2-CD1 4.4Å; F85-F88 HydrophobicContact CE2-CD1 4.44Å; F85-L89 HydrophobicContact CE1-CD2 4.31Å; F85-L89 HydrophobicContact CZ-CB 4.46Å; F85-L89 HydrophobicContact CZ-CD2 4.01Å; F85-L89 WeakPolarHBondContact O-CB 3.42Å; F85-L89 PolarHBondContact O-N 3.41Å
86K94.5Very high91.3Very high63 Ų6347.2 Ų47.227%0.27426%0.26SS..Hα-helixtrans-68.7-48.4178.8-70-177.7-69.3-165.30110.3D15 F18 L19 D84 F88 L89 L90D15-K86 HydrophobicContact CB-CD 3.96Å; D15-K86 HydrophobicContact CB-CG 3.96Å; D15-K86 VanDerWaalsContact OD1-CD 3.29Å; D15-K86 WeakPolarHBondContact OD1-CD 3.26Å; D15-K86 IonicContact OD1-NZ 2.75Å; D15-K86 PolarHBondContact OD1-NZ 3.22Å; F18-K86 HydrophobicContact CD1-CD 4.13Å; L19-K86 HydrophobicContact CD1-CG 4.19Å; L19-K86 HydrophobicContact CD2-CB 4.34Å; L19-K86 HydrophobicContact CD2-CG 4.49Å; L19-K86 HydrophobicContact CG-CG 4.28Å; D84-K86 VanDerWaalsContact C-N 3.31Å; D84-K86 PolarHBondContact O-N 3.41Å; D84-K86 WeakPolarHBondContact OD1-CA 3.46Å; D84-K86 VanDerWaalsContact OD1-CB 3.31Å; D84-K86 WeakPolarHBondContact OD1-CB 3.42Å; D84-K86 PolarHBondContact OD1-N 2.99Å; D84-K86 WeakPolarHBondContact OD2-CE 3.45Å; K86-F88 VanDerWaalsContact C-N 3.33Å; K86-F88 PolarHBondContact O-N 3.36Å; K86-L89 PolarHBondContact O-N 3.42Å; K86-L89 VanDerWaalsContact O-N 3.17Å; K86-L90 WeakPolarHBondContact O-CB 3.33Å; K86-L90 VanDerWaalsContact O-CG 3.3Å; K86-L90 WeakPolarHBondContact O-CG 3.34Å; K86-L90 PolarHBondContact O-N 3.11Å
87E94.9Very high90.6Very high13 Ų1348.9 Ų48.96%0.06128%0.279CS..Hα-helixtrans-57.7-47.6177.4-70.9174.9139.600111F75 K77 D78 I83 D84 L89 L90 A91F75-E87 WeakPolarHBondContact O-CB 3.38Å; F75-E87 WeakPolarHBondContact O-CG 3.27Å; K77-E87 PolarHBondContact N-OE1 2.93Å; D78-E87 PolarHBondContact N-OE1 3.35Å; I83-E87 WeakPolarHBondContact CA-OE2 3.34Å; I83-E87 HydrophobicContact CG2-CB 3.8Å; D84-E87 PolarHBondContact N-OE2 3.28Å; D84-E87 PolarHBondContact OD1-N 3.47Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3.49Å; E87-L90 PolarHBondContact O-N 2.92Å; E87-A91 VanDerWaalsContact O-CB 3.28Å; E87-A91 WeakPolarHBondContact O-CB 3.24Å; E87-A91 PolarHBondContact O-N 3.22Å
88F94.1Very high90.3Very high42 Ų4243.9 Ų43.918%0.18426%0.261CS..Hα-helixtrans-55.8-46.8174.4172.1-100.7000112.3W33 F37 I83 D84 F85 K86 A91 I92W33-F88 AromaticContact CE3-CE1 3.67Å; W33-F88 HydrophobicContact CE3-CE1 3.67Å; W33-F88 HydrophobicContact CE3-CZ 4.05Å; W33-F88 AromaticContact CZ3-CE1 3.89Å; W33-F88 HydrophobicContact CZ3-CE1 3.89Å; W33-F88 AromaticContact CZ3-CZ 3.78Å; W33-F88 HydrophobicContact CZ3-CZ 3.78Å; F37-F88 HydrophobicContact CD2-CB 4.24Å; F37-F88 AromaticContact CD2-CD1 3.71Å; F37-F88 HydrophobicContact CD2-CD1 3.71Å; F37-F88 HydrophobicContact CD2-CD2 4.34Å; F37-F88 HydrophobicContact CD2-CE1 4.16Å; F37-F88 AromaticContact CD2-CG 3.81Å; F37-F88 HydrophobicContact CD2-CG 3.81Å; F37-F88 HydrophobicContact CE2-CB 3.76Å; F37-F88 HydrophobicContact CE2-CD1 4.1Å; F37-F88 HydrophobicContact CE2-CD2 4.15Å; F37-F88 AromaticContact CE2-CG 3.72Å; F37-F88 HydrophobicContact CE2-CG 3.72Å; F37-F88 HydrophobicContact CZ-CB 4.44Å; I83-F88 HydrophobicContact CG2-CB 3.83Å; D84-F88 WeakPolarHBondContact O-CB 3.44Å; D84-F88 PolarHBondContact O-N 2.94Å; F85-F88 HydrophobicContact CD2-CD1 4.4Å; F85-F88 HydrophobicContact CE2-CD1 4.44Å; K86-F88 VanDerWaalsContact C-N 3.33Å; K86-F88 PolarHBondContact O-N 3.36Å; F88-A91 WeakPolarHBondContact O-CB 3.32Å; F88-A91 PolarHBondContact O-N 3.46Å; F88-I92 HydrophobicContact CD2-CG1 4.41Å; F88-I92 HydrophobicContact CE1-CG1 4.1Å; F88-I92 HydrophobicContact CE2-CD1 4.14Å; F88-I92 HydrophobicContact CE2-CG1 3.92Å; F88-I92 HydrophobicContact CZ-CD1 4.18Å; F88-I92 HydrophobicContact CZ-CG1 3.76Å; F88-I92 WeakPolarHBondContact O-CG1 3.48Å; F88-I92 PolarHBondContact O-N 3.24Å
89L94.1Very high90.1Very high0 Ų045.7 Ų45.70%026%0.263CS..Hα-helixtrans-75.5-32.9-175.6-163.566.5000112.8L19 F25 I30 W33 F85 K86 E87 N93L19-L89 HydrophobicContact CB-CD2 4.36Å; L19-L89 HydrophobicContact CD1-CB 4.45Å; L19-L89 HydrophobicContact CD1-CD2 3.85Å; L19-L89 HydrophobicContact CD2-CB 4Å; L19-L89 HydrophobicContact CD2-CD2 4.1Å; L19-L89 HydrophobicContact CD2-CG 4.42Å; L19-L89 HydrophobicContact CG-CD2 4.33Å; F25-L89 HydrophobicContact CD2-CD1 3.72Å; F25-L89 HydrophobicContact CD2-CD2 3.96Å; F25-L89 HydrophobicContact CD2-CG 3.71Å; F25-L89 HydrophobicContact CE2-CD1 3.55Å; F25-L89 HydrophobicContact CE2-CG 3.86Å; F25-L89 HydrophobicContact CZ-CD1 4.27Å; I30-L89 HydrophobicContact CB-CD2 4.2Å; I30-L89 HydrophobicContact CG1-CD2 3.83Å; I30-L89 HydrophobicContact CG2-CD2 3.92Å; W33-L89 HydrophobicContact CB-CD1 3.88Å; W33-L89 HydrophobicContact CD2-CD1 4.08Å; W33-L89 HydrophobicContact CG-CD1 3.61Å; F85-L89 HydrophobicContact CE1-CD2 4.31Å; F85-L89 HydrophobicContact CZ-CB 4.46Å; F85-L89 HydrophobicContact CZ-CD2 4.01Å; F85-L89 WeakPolarHBondContact O-CB 3.42Å; F85-L89 PolarHBondContact O-N 3.41Å; K86-L89 PolarHBondContact O-N 3.42Å; K86-L89 VanDerWaalsContact O-N 3.17Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3.49Å; L89-N93 WeakPolarHBondContact O-CB 3.21Å; L89-N93 PolarHBondContact O-N 3.43Å
90L92.8Very high89.9Confident43 Ų4342.3 Ų42.323%0.22525%0.248CC..Hα-helixtrans-62.3-45.3170.8-73.5171.4000110.8F18 L19 N22 T23 K86 E87 N93 I94F18-L90 HydrophobicContact CE1-CD1 4.02Å; F18-L90 HydrophobicContact CE1-CD2 4.28Å; F18-L90 HydrophobicContact CE1-CG 4.45Å; F18-L90 HydrophobicContact CZ-CD1 4.41Å; L19-L90 HydrophobicContact CD2-CG 4.27Å; N22-L90 HydrophobicContact CB-CD2 4.1Å; T23-L90 HydrophobicContact CG2-CD2 3.95Å; K86-L90 WeakPolarHBondContact O-CB 3.33Å; K86-L90 VanDerWaalsContact O-CG 3.3Å; K86-L90 WeakPolarHBondContact O-CG 3.34Å; K86-L90 PolarHBondContact O-N 3.11Å; E87-L90 PolarHBondContact O-N 2.92Å; L90-N93 WeakPolarHBondContact O-CB 3.34Å; L90-N93 PolarHBondContact O-N 3.49Å; L90-I94 WeakPolarHBondContact O-CG1 3.04Å; L90-I94 PolarHBondContact O-N 3.2Å
91A90.7Very high89.7Confident5 Ų543.7 Ų43.74%0.04125%0.248CC..Hα-helixtrans-55.5-53.3175.100000111.8F75 E87 F88 N93 I94 T95F75-A91 HydrophobicContact CB-CB 4.5Å; F75-A91 HydrophobicContact CD1-CB 3.32Å; F75-A91 HydrophobicContact CD2-CB 3.88Å; F75-A91 HydrophobicContact CE1-CB 3.23Å; F75-A91 HydrophobicContact CE2-CB 3.82Å; F75-A91 HydrophobicContact CG-CB 3.65Å; F75-A91 HydrophobicContact CZ-CB 3.52Å; E87-A91 VanDerWaalsContact O-CB 3.28Å; E87-A91 WeakPolarHBondContact O-CB 3.24Å; E87-A91 PolarHBondContact O-N 3.22Å; F88-A91 WeakPolarHBondContact O-CB 3.32Å; F88-A91 PolarHBondContact O-N 3.46Å; A91-N93 VanDerWaalsContact C-N 3.28Å; A91-N93 PolarHBondContact O-N 2.91Å; A91-I94 PolarHBondContact O-N 3.23Å; A91-T95 PolarHBondContact O-N 3.03Å; A91-T95 PolarHBondContact O-OG1 2.75Å
92I90.3Very high89.6Confident40 Ų4045.4 Ų45.421%0.20525%0.245CC..Hα-helixtrans-59.9-39.5177.3-64.8-61.8000111.3F25 W33 F88 I94 S96F25-I92 HydrophobicContact CE2-CG2 4.38Å; F25-I92 HydrophobicContact CZ-CG2 3.95Å; W33-I92 HydrophobicContact CH2-CG2 4.32Å; W33-I92 HydrophobicContact CZ2-CG2 4.04Å; F88-I92 HydrophobicContact CD2-CG1 4.41Å; F88-I92 HydrophobicContact CE1-CG1 4.1Å; F88-I92 HydrophobicContact CE2-CD1 4.14Å; F88-I92 HydrophobicContact CE2-CG1 3.92Å; F88-I92 HydrophobicContact CZ-CD1 4.18Å; F88-I92 HydrophobicContact CZ-CG1 3.76Å; F88-I92 WeakPolarHBondContact O-CG1 3.48Å; F88-I92 PolarHBondContact O-N 3.24Å; I92-I94 VanDerWaalsContact C-N 3.32Å; I92-I94 PolarHBondContact O-N 3.35Å; I92-S96 WeakPolarHBondContact O-CB 3.45Å; I92-S96 PolarHBondContact O-N 2.98Å; I92-S96 PolarHBondContact O-OG 3.34Å
93N90.8Very high89.4Confident11 Ų1142.9 Ų42.96%0.05923%0.234CC..Hα-helixtrans-58.9-44.8178.2-179.878.1000111.7T23 N24 F25 L89 L90 A91 G97 G98T23-N93 WeakPolarHBondContact CA-OD1 3.04Å; T23-N93 WeakPolarHBondContact CB-OD1 3.33Å; T23-N93 HydrophobicContact CG2-CB 3.85Å; N24-N93 PolarHBondContact N-OD1 3.17Å; F25-N93 HydrophobicContact CE2-CB 4.06Å; L89-N93 WeakPolarHBondContact O-CB 3.21Å; L89-N93 PolarHBondContact O-N 3.43Å; L90-N93 WeakPolarHBondContact O-CB 3.34Å; L90-N93 PolarHBondContact O-N 3.49Å; A91-N93 VanDerWaalsContact C-N 3.28Å; A91-N93 PolarHBondContact O-N 2.91Å; N93-G97 CarbonylContact O-C 3.42Å; N93-G97 PolarHBondContact O-N 3.4Å; N93-G98 PolarHBondContact O-N 2.83Å
94I87.5Confident89.2Confident42 Ų4242.9 Ų42.922%0.21523%0.234CC..Hα-helixtrans-69.6-51.6-179.5-64.7164.3000110.4L90 A91 I92 G98 W106L90-I94 WeakPolarHBondContact O-CG1 3.04Å; L90-I94 PolarHBondContact O-N 3.2Å; A91-I94 PolarHBondContact O-N 3.23Å; I92-I94 VanDerWaalsContact C-N 3.32Å; I92-I94 PolarHBondContact O-N 3.35Å; I94-G98 WeakPolarHBondContact O-CA 3.42Å; I94-G98 PolarHBondContact O-N 3.44Å; I94-W106 HydrophobicContact CG2-CB 3.78Å; I94-W106 HydrophobicContact CG2-CG 4.19Å
95T82.4Confident89.1Confident53 Ų5343.3 Ų43.333%0.32524%0.235SC..Hα-helixtrans-74.2-32.4-170.757.50000113.4F75 A91 W106F75-T95 HydrophobicContact CE1-CG2 4.5Å; F75-T95 HydrophobicContact CZ-CG2 4.24Å; A91-T95 PolarHBondContact O-N 3.03Å; A91-T95 PolarHBondContact O-OG1 2.75Å; T95-W106 HydrophobicContact CG2-CD2 4.49Å; T95-W106 HydrophobicContact CG2-CE3 4.36Å; T95-W106 HydrophobicContact CG2-CH2 4.13Å; T95-W106 HydrophobicContact CG2-CZ2 4.36Å; T95-W106 HydrophobicContact CG2-CZ3 4.18Å
96S82.7Confident88.9Confident84 Ų8444.4 Ų44.459%0.58724%0.238SC*.Hα-helixtrans-97.5-19.4-176.5710000115.2I92I92-S96 WeakPolarHBondContact O-CB 3.45Å; I92-S96 PolarHBondContact O-N 2.98Å; I92-S96 PolarHBondContact O-OG 3.34Å
97G78.5Confident88.9Confident44 Ų4441.5 Ų41.545%0.45423%0.226SC..Hα-helixtrans-155.113-173.600000114.8N93N93-G97 CarbonylContact O-C 3.42Å; N93-G97 PolarHBondContact O-N 3.4Å
98G80Confident88.8Confident11 Ų1141.3 Ų41.311%0.11323%0.225CC..  trans-70.4153.9173.500000110.9N93 I94 E102N93-G98 PolarHBondContact O-N 2.83Å; I94-G98 WeakPolarHBondContact O-CA 3.42Å; I94-G98 PolarHBondContact O-N 3.44Å; G98-E102 VanDerWaalsContact CA-OE2 3.26Å; G98-E102 WeakPolarHBondContact CA-OE2 3.42Å
99K86.7Confident88.8Confident138 Ų13842.4 Ų42.460%0.623%0.231SC*.  trans-63.8156.8168.7-63.5177.6-178.5174.70110.1E101 E102 K103K99-E101 WeakPolarHBondContact CB-OE2 3.42Å; K99-E101 PolarHBondContact O-N 3.24Å; K99-E101 VanDerWaalsContact O-N 3.14Å; K99-E102 HydrophobicContact CB-CG 4.28Å; K99-E102 PolarHBondContact N-OE2 2.91Å; K99-E102 WeakPolarHBondContact O-CB 3.34Å; K99-E102 PolarHBondContact O-N 3.34Å; K99-K103 PolarHBondContact O-N 3.46Å
100P86.2Confident88.8Confident56 Ų5642.9 Ų42.936%0.36423%0.233SC..Hα-helixtrans-48.1-42.4176-29.637000113.4E102 K103 L104 M175 Y181P100-E102 VanDerWaalsContact C-N 3.34Å; P100-E102 PolarHBondContact O-N 3.3Å; P100-K103 PolarHBondContact O-N 2.88Å; P100-L104 WeakPolarHBondContact O-CG 3.16Å; P100-L104 PolarHBondContact O-N 2.74Å; P100-M175 HydrophobicContact CB-SD 4.35Å; P100-Y181 HydrophobicContact CB-CE2 4.04Å
101E88.3Confident88.9Confident88 Ų8841 Ų4141%0.41122%0.223SC..Hα-helixtrans-66.8-34.5180-56.681.4-178.800112.5K99 E105 M171K99-E101 WeakPolarHBondContact CB-OE2 3.42Å; K99-E101 PolarHBondContact O-N 3.24Å; K99-E101 VanDerWaalsContact O-N 3.14Å; E101-E105 VanDerWaalsContact O-CB 3.29Å; E101-E105 WeakPolarHBondContact O-CB 3.36Å; E101-E105 PolarHBondContact O-N 3.1Å; E101-M171 HydrophobicContact CB-CE 4.05Å; E101-M171 HydrophobicContact CG-CE 4.34Å
102E88.8Confident89.2Confident80 Ų8041.2 Ų41.237%0.37422%0.224SC..Hα-helixtrans-71.7-37.2176.6-63.8174.9141.200111.2G98 K99 P100 W106G98-E102 VanDerWaalsContact CA-OE2 3.26Å; G98-E102 WeakPolarHBondContact CA-OE2 3.42Å; K99-E102 HydrophobicContact CB-CG 4.28Å; K99-E102 PolarHBondContact N-OE2 2.91Å; K99-E102 WeakPolarHBondContact O-CB 3.34Å; K99-E102 PolarHBondContact O-N 3.34Å; P100-E102 VanDerWaalsContact C-N 3.34Å; P100-E102 PolarHBondContact O-N 3.3Å; E102-W106 PolarHBondContact O-N 3.16Å; E102-W106 VanDerWaalsContact O-N 3.13Å
103K89.3Confident89.4Confident39 Ų3941.1 Ų41.117%0.1722%0.223CC..Hα-helixtrans-65-45.8173.8-69-171.5176.2-165.70111.2K99 P100 W106 A107 L185 D187K99-K103 PolarHBondContact O-N 3.46Å; P100-K103 PolarHBondContact O-N 2.88Å; K103-W106 PolarHBondContact O-N 3.05Å; K103-A107 WeakPolarHBondContact O-CB 3.45Å; K103-A107 PolarHBondContact O-N 2.94Å; K103-L185 HydrophobicContact CB-CD1 3.96Å; K103-L185 HydrophobicContact CB-CD2 4.1Å; K103-L185 HydrophobicContact CD-CD1 4.29Å; K103-D187 IonicContact NZ-OD2 3.19Å; K103-D187 PolarHBondContact NZ-OD2 2.98Å
104L92Very high89.6Confident0 Ų044.7 Ų44.70%024%0.242CC..Hα-helixtrans-65.6-39.7178-71176.8000112.4P100 W106 A107 F108 F170 C174 M175 Y181 L185P100-L104 WeakPolarHBondContact O-CG 3.16Å; P100-L104 PolarHBondContact O-N 2.74Å; L104-W106 VanDerWaalsContact C-N 3.29Å; L104-W106 PolarHBondContact O-N 3.24Å; L104-A107 PolarHBondContact O-N 3.12Å; L104-F108 WeakPolarHBondContact O-CB 3.49Å; L104-F108 PolarHBondContact O-N 2.75Å; L104-F170 HydrophobicContact CD2-CE1 4.25Å; L104-C174 HydrophobicContact CD1-CB 3.85Å; L104-C174 HydrophobicContact CD2-CB 3.49Å; L104-C174 VanDerWaalsContact CD2-CB 3.49Å; L104-C174 HydrophobicContact CG-CB 4.33Å; L104-M175 HydrophobicContact CD1-CG 3.72Å; L104-M175 HydrophobicContact CD1-SD 3.63Å; L104-Y181 HydrophobicContact CD1-CD2 4.09Å; L104-Y181 HydrophobicContact CD1-CE2 4.03Å; L104-Y181 HydrophobicContact CD2-CD2 3.85Å; L104-Y181 HydrophobicContact CD2-CE2 3.98Å; L104-Y181 HydrophobicContact CG-CD2 4.16Å; L104-Y181 HydrophobicContact CG-CE2 3.89Å; L104-L185 HydrophobicContact CD2-CD1 4.09Å; L104-L185 HydrophobicContact CD2-CD2 4.33Å; L104-L185 HydrophobicContact CD2-CG 4.22Å
105E91.9Very high89.9Confident48 Ų4845.5 Ų45.522%0.22426%0.261CS..Hα-helixtrans-58.1-45173.5178.759.3-151.800111.6E101 F108 Q109 R167E101-E105 VanDerWaalsContact O-CB 3.29Å; E101-E105 WeakPolarHBondContact O-CB 3.36Å; E101-E105 PolarHBondContact O-N 3.1Å; E105-F108 PolarHBondContact O-N 3.25Å; E105-Q109 WeakPolarHBondContact O-CG 3.37Å; E105-Q109 PolarHBondContact O-N 3.42Å; E105-Q109 PolarHBondContact OE1-NE2 3.27Å; E105-Q109 VanDerWaalsContact OE1-NE2 3.09Å; E105-R167 IonicContact OE1-NE 2.87Å; E105-R167 IonicContact OE2-CZ 2.75Å; E105-R167 IonicContact OE2-NE 2.75Å; E105-R167 PolarHBondContact OE2-NE 3.48Å; E105-R167 IonicContact OE2-NH2 3.07Å; E105-R167 PolarHBondContact OE2-NH2 3.43Å
106W91.6Very high90.5Very high32 Ų3246.9 Ų46.912%0.12127%0.267CS..Hα-helixtrans-68.2-39.8178175.277.1000112.3V71 T74 F75 I94 T95 E102 K103 L104 F108 Q109 M110V71-W106 HydrophobicContact CG1-CZ2 4.21Å; T74-W106 WeakPolarHBondContact OG1-CZ2 3.46Å; T74-W106 PolarHBondContact OG1-NE1 2.99Å; F75-W106 HydrophobicContact CD1-CZ2 4.26Å; F75-W106 AromaticContact CD1-NE1 3.58Å; F75-W106 AromaticContact CE1-CE2 3.43Å; F75-W106 VanDerWaalsContact CE1-CE2 3.43Å; F75-W106 HydrophobicContact CE1-CH2 4.46Å; F75-W106 AromaticContact CE1-CZ2 3.35Å; F75-W106 HydrophobicContact CE1-CZ2 3.35Å; F75-W106 AromaticContact CE1-NE1 3.22Å; F75-W106 HydrophobicContact CZ-CH2 4.33Å; F75-W106 AromaticContact CZ-CZ2 3.53Å; F75-W106 HydrophobicContact CZ-CZ2 3.53Å; I94-W106 HydrophobicContact CG2-CB 3.78Å; I94-W106 HydrophobicContact CG2-CG 4.19Å; T95-W106 HydrophobicContact CG2-CD2 4.49Å; T95-W106 HydrophobicContact CG2-CE3 4.36Å; T95-W106 HydrophobicContact CG2-CH2 4.13Å; T95-W106 HydrophobicContact CG2-CZ2 4.36Å; T95-W106 HydrophobicContact CG2-CZ3 4.18Å; E102-W106 PolarHBondContact O-N 3.16Å; E102-W106 VanDerWaalsContact O-N 3.13Å; K103-W106 PolarHBondContact O-N 3.05Å; L104-W106 VanDerWaalsContact C-N 3.29Å; L104-W106 PolarHBondContact O-N 3.24Å; W106-F108 VanDerWaalsContact C-N 3.34Å; W106-Q109 WeakPolarHBondContact O-CB 3.48Å; W106-Q109 PolarHBondContact O-N 3.19Å; W106-M110 HydrophobicContact CE3-CE 4.14Å; W106-M110 HydrophobicContact CH2-CE 2.94Å; W106-M110 HydrophobicContact CZ2-CE 3.41Å; W106-M110 VanDerWaalsContact CZ2-CE 3.41Å; W106-M110 HydrophobicContact CZ3-CE 3.33Å; W106-M110 PolarHBondContact O-N 2.8Å; W106-M110 VanDerWaalsContact O-N 3.12Å
107A92.8Very high91.2Very high2 Ų244.7 Ų44.72%0.01726%0.257CS..Hα-helixtrans-61.5-43.7174.700000111.4K103 L104 Q109 M110 Y111 F170 L185K103-A107 WeakPolarHBondContact O-CB 3.45Å; K103-A107 PolarHBondContact O-N 2.94Å; L104-A107 PolarHBondContact O-N 3.12Å; A107-Q109 VanDerWaalsContact C-N 3.28Å; A107-Q109 PolarHBondContact O-N 3.07Å; A107-M110 WeakPolarHBondContact O-CA 3.42Å; A107-M110 VanDerWaalsContact O-CB 3.24Å; A107-M110 WeakPolarHBondContact O-CB 3.41Å; A107-M110 PolarHBondContact O-N 3.27Å; A107-Y111 VanDerWaalsContact O-CD2 3.27Å; A107-Y111 WeakPolarHBondContact O-CD2 3.5Å; A107-Y111 PolarHBondContact O-N 2.95Å; A107-F170 HydrophobicContact CB-CE1 4.23Å; A107-F170 HydrophobicContact CB-CZ 4.24Å; A107-L185 HydrophobicContact CB-CD2 3.51Å
108F94.5Very high92.1Very high9 Ų944.1 Ų44.14%0.03925%0.245CC..Hα-helixtrans-53.8-46.3174.3-176.7-90.6000111.5L104 E105 W106 M110 Y111 D112 G117 I119 R167 F170L104-F108 WeakPolarHBondContact O-CB 3.49Å; L104-F108 PolarHBondContact O-N 2.75Å; E105-F108 PolarHBondContact O-N 3.25Å; W106-F108 VanDerWaalsContact C-N 3.34Å; F108-M110 PolarHBondContact O-N 3.05Å; F108-Y111 PolarHBondContact O-N 2.59Å; F108-Y111 VanDerWaalsContact O-N 3.14Å; F108-D112 HydrophobicContact CE1-CB 4.12Å; F108-D112 WeakPolarHBondContact O-CB 3.39Å; F108-D112 PolarHBondContact O-N 2.96Å; F108-G117 WeakPolarHBondContact CZ-O 3.45Å; F108-I119 HydrophobicContact CD2-CD1 3.47Å; F108-I119 VanDerWaalsContact CD2-CD1 3.47Å; F108-I119 HydrophobicContact CD2-CG1 4.03Å; F108-I119 HydrophobicContact CE2-CD1 3.56Å; F108-I119 HydrophobicContact CE2-CG1 3.69Å; F108-I119 HydrophobicContact CG-CD1 4.35Å; F108-I119 HydrophobicContact CZ-CD1 4.5Å; F108-I119 HydrophobicContact CZ-CG1 4.2Å; F108-R167 HydrophobicContact CD2-CB 4.46Å; F108-R167 HydrophobicContact CE1-CB 4.25Å; F108-R167 VanDerWaalsContact CE2-CA 3.47Å; F108-R167 HydrophobicContact CE2-CB 4.14Å; F108-R167 HydrophobicContact CZ-CB 4.04Å; F108-F170 HydrophobicContact CB-CD1 3.96Å; F108-F170 HydrophobicContact CB-CE1 4.16Å; F108-F170 HydrophobicContact CD2-CB 3.64Å; F108-F170 AromaticContact CD2-CD1 3.94Å; F108-F170 HydrophobicContact CD2-CD1 3.94Å; F108-F170 HydrophobicContact CD2-CD2 4.4Å; F108-F170 AromaticContact CD2-CG 3.74Å; F108-F170 HydrophobicContact CD2-CG 3.74Å; F108-F170 HydrophobicContact CE2-CB 4.07Å; F108-F170 HydrophobicContact CG-CD1 4.46Å
109Q93.2Very high92.9Very high66 Ų6643.6 Ų43.631%0.30824%0.239SC..Hα-helixtrans-65.1-22.5176.4-65.7170.617.500113.7R73 T74 E105 W106 A107R73-Q109 PolarHBondContact NH2-O 3.34Å; T74-Q109 HydrophobicContact CG2-CB 4.5Å; T74-Q109 WeakPolarHBondContact CG2-O 3.44Å; E105-Q109 WeakPolarHBondContact O-CG 3.37Å; E105-Q109 PolarHBondContact O-N 3.42Å; E105-Q109 PolarHBondContact OE1-NE2 3.27Å; E105-Q109 VanDerWaalsContact OE1-NE2 3.09Å; W106-Q109 WeakPolarHBondContact O-CB 3.48Å; W106-Q109 PolarHBondContact O-N 3.19Å; A107-Q109 VanDerWaalsContact C-N 3.28Å; A107-Q109 PolarHBondContact O-N 3.07Å
110M93.7Very high93.5Very high9 Ų940 Ų404%0.04423%0.225CC..Hα-helixtrans-76.5-42.9172.1-167.1-170.3-5800111.5F67 H70 V71 R73 T74 W106 A107 F108 I127F67-M110 HydrophobicContact CE2-SD 3.99Å; F67-M110 HydrophobicContact CZ-SD 4.37Å; H70-M110 HydrophobicContact CB-CG 3.97Å; V71-M110 HydrophobicContact CG2-CE 3.74Å; V71-M110 HydrophobicContact CG2-SD 4.2Å; R73-M110 PolarHBondContact NH2-O 3.19Å; T74-M110 VanDerWaalsContact CG2-CA 3.4Å; T74-M110 HydrophobicContact CG2-CB 3.75Å; T74-M110 HydrophobicContact CG2-CG 4.12Å; W106-M110 HydrophobicContact CE3-CE 4.14Å; W106-M110 HydrophobicContact CH2-CE 2.94Å; W106-M110 HydrophobicContact CZ2-CE 3.41Å; W106-M110 VanDerWaalsContact CZ2-CE 3.41Å; W106-M110 HydrophobicContact CZ3-CE 3.33Å; W106-M110 PolarHBondContact O-N 2.8Å; W106-M110 VanDerWaalsContact O-N 3.12Å; A107-M110 WeakPolarHBondContact O-CA 3.42Å; A107-M110 VanDerWaalsContact O-CB 3.24Å; A107-M110 WeakPolarHBondContact O-CB 3.41Å; A107-M110 PolarHBondContact O-N 3.27Å; F108-M110 PolarHBondContact O-N 3.05Å; M110-I127 HydrophobicContact CG-CD1 4.42Å
111Y95.4Very high94Very high3 Ų341.4 Ų41.41%0.01223%0.225CC..Hα-helixtrans-73.9-36.3180-79.5-81.7000113.3A107 F108 I113 I119 E123 M124 I127 F170 L184A107-Y111 VanDerWaalsContact O-CD2 3.27Å; A107-Y111 WeakPolarHBondContact O-CD2 3.5Å; A107-Y111 PolarHBondContact O-N 2.95Å; F108-Y111 PolarHBondContact O-N 2.59Å; F108-Y111 VanDerWaalsContact O-N 3.14Å; Y111-I113 PolarHBondContact O-N 3.05Å; Y111-I119 VanDerWaalsContact CB-CD1 3.49Å; Y111-I119 HydrophobicContact CG-CD1 4.38Å; Y111-E123 WeakPolarHBondContact O-CB 3.25Å; Y111-M124 HydrophobicContact CD1-CG 4.38Å; Y111-M124 HydrophobicContact CE1-CG 4.3Å; Y111-I127 HydrophobicContact CD1-CB 3.78Å; Y111-I127 HydrophobicContact CD1-CG1 3.79Å; Y111-I127 HydrophobicContact CD1-CG2 3.95Å; Y111-I127 HydrophobicContact CE1-CB 3.57Å; Y111-I127 HydrophobicContact CE1-CG1 4.11Å; Y111-I127 HydrophobicContact CE1-CG2 3.43Å; Y111-I127 VanDerWaalsContact CE1-CG2 3.43Å; Y111-I127 HydrophobicContact CE2-CG2 4.36Å; Y111-I127 HydrophobicContact CG-CG1 4.38Å; Y111-F170 HydrophobicContact CD2-CE2 4.18Å; Y111-F170 HydrophobicContact CD2-CZ 4.08Å; Y111-F170 HydrophobicContact CE2-CZ 4.44Å; Y111-L184 HydrophobicContact CE1-CD2 4.09Å; Y111-L184 HydrophobicContact CE2-CB 4.3Å; Y111-L184 HydrophobicContact CE2-CD2 3.93Å; Y111-L184 VanDerWaalsContact CZ-CD2 3.49Å; Y111-L184 VanDerWaalsContact OH-CD2 3.22Å; Y111-L184 WeakPolarHBondContact OH-CD2 3.32Å
112D96.5Very high94.4Very high11 Ų1142.4 Ų42.46%0.05923%0.229CC..  trans-7493171.3178.32.1000108.6R73 F108 N114 G115 N116 G117 I119R73-D112 PolarHBondContact NH2-O 2.97Å; F108-D112 HydrophobicContact CE1-CB 4.12Å; F108-D112 WeakPolarHBondContact O-CB 3.39Å; F108-D112 PolarHBondContact O-N 2.96Å; D112-N114 PolarHBondContact OD1-OD1 2.95Å; D112-G115 VanDerWaalsContact CG-CA 3.5Å; D112-G115 WeakPolarHBondContact OD1-CA 3.38Å; D112-G115 PolarHBondContact OD1-N 2.71Å; D112-G115 WeakPolarHBondContact OD2-CA 3.32Å; D112-N116 PolarHBondContact OD1-N 3.01Å; D112-N116 VanDerWaalsContact OD1-N 3.1Å; D112-N116 PolarHBondContact OD2-N 3.38Å; D112-G117 WeakPolarHBondContact OD2-CA 3.43Å; D112-G117 PolarHBondContact OD2-N 3.5Å; D112-I119 HydrophobicContact CB-CG1 4.31Å
113I95.7Very high94.9Very high38 Ų3838.6 Ų38.620%0.19521%0.212CC..SBendtrans-73.3-39.9-169.7-71.6-179.7000111.2R73 Y111 E123 E126 I127R73-I113 VanDerWaalsContact NH1-CA 3.27Å; R73-I113 VanDerWaalsContact NH1-CG2 3.35Å; R73-I113 PolarHBondContact NH1-O 3.03Å; Y111-I113 PolarHBondContact O-N 3.05Å; I113-E123 WeakPolarHBondContact CA-OE1 3.24Å; I113-E123 HydrophobicContact CB-CB 4.27Å; I113-E123 HydrophobicContact CB-CG 4.02Å; I113-E123 WeakPolarHBondContact CB-OE1 3.49Å; I113-E123 HydrophobicContact CD1-CB 3.95Å; I113-E123 HydrophobicContact CD1-CG 4.37Å; I113-E123 HydrophobicContact CG1-CB 4Å; I113-E123 HydrophobicContact CG1-CG 4.31Å; I113-E123 PolarHBondContact N-OE1 3.04Å; I113-E126 HydrophobicContact CD1-CB 3.85Å; I113-E126 HydrophobicContact CD1-CG 3.91Å; I113-I127 HydrophobicContact CD1-CD1 4.14Å; I113-I127 HydrophobicContact CD1-CG1 4.38Å; I113-I127 HydrophobicContact CG1-CD1 4.3Å
114N93.9Very high95.1Very high85 Ų8536.8 Ų36.846%0.45520%0.204SC..SBendtrans-90.1-12-177.168.838.4000113.6D112 N116 E123D112-N114 PolarHBondContact OD1-OD1 2.95Å; N114-N116 PolarHBondContact ND2-ND2 2.88Å; N114-N116 WeakPolarHBondContact OD1-CB 3.49Å; N114-N116 PolarHBondContact OD1-N 3.14Å; N114-N116 PolarHBondContact OD1-ND2 3.29Å; N114-N116 PolarHBondContact OD1-OD1 3.16Å; N114-E123 VanDerWaalsContact CG-OE1 3.29Å; N114-E123 PolarHBondContact N-OE1 2.62Å; N114-E123 PolarHBondContact ND2-OE1 3.32Å; N114-E123 VanDerWaalsContact ND2-OE1 3.16Å
115G93.8Very high95.3Very high59 Ų5937.7 Ų37.761%0.60821%0.209SC*.  trans76.126.2177.800000114D112 G117D112-G115 VanDerWaalsContact CG-CA 3.5Å; D112-G115 WeakPolarHBondContact OD1-CA 3.38Å; D112-G115 PolarHBondContact OD1-N 2.71Å; D112-G115 WeakPolarHBondContact OD2-CA 3.32Å; G115-G117 VanDerWaalsContact C-N 3.3Å
116N95.6Very high95.5Very high83 Ų8339.5 Ų39.544%0.44422%0.218SC..SBendtrans-82.7-5.6-17772.312.3000113.5D112 N114 T118 E120D112-N116 PolarHBondContact OD1-N 3.01Å; D112-N116 VanDerWaalsContact OD1-N 3.1Å; D112-N116 PolarHBondContact OD2-N 3.38Å; N114-N116 PolarHBondContact ND2-ND2 2.88Å; N114-N116 WeakPolarHBondContact OD1-CB 3.49Å; N114-N116 PolarHBondContact OD1-N 3.14Å; N114-N116 PolarHBondContact OD1-ND2 3.29Å; N114-N116 PolarHBondContact OD1-OD1 3.16Å; N116-T118 PolarHBondContact OD1-N 3.01Å; N116-T118 PolarHBondContact OD1-O 3.49Å; N116-T118 PolarHBondContact OD1-OG1 3.27Å; N116-E120 PolarHBondContact ND2-OE1 2.98Å
117G96.4Very high95.6Very high37 Ų3738 Ų3838%0.38121%0.212SC..SBendtrans91.78.3-179.800000114.5F108 D112 G115F108-G117 WeakPolarHBondContact CZ-O 3.45Å; D112-G117 WeakPolarHBondContact OD2-CA 3.43Å; D112-G117 PolarHBondContact OD2-N 3.5Å; G115-G117 VanDerWaalsContact C-N 3.3Å
118T97.7Very high95.6Very high32 Ų3238 Ų3820%0.19621%0.212CC..EExtended strand (participates in β ladder)trans-140.1149.9176.356.10000110.3N116 V164 L165 T166N116-T118 PolarHBondContact OD1-N 3.01Å; N116-T118 PolarHBondContact OD1-O 3.49Å; N116-T118 PolarHBondContact OD1-OG1 3.27Å; T118-V164 HydrophobicContact CG2-CG2 4.02Å; T118-L165 CarbonylContact C-O 3.54Å; T118-L165 WeakPolarHBondContact CA-O 3.49Å; T118-T166 HydrophobicContact CG2-CG2 4.41Å
119I97.9Very high95.5Very high0 Ų041.8 Ų41.80%023%0.228CC..EExtended strand (participates in β ladder)trans-99.4118.6174.3-58.1160.8000108.3F108 Y111 D112 M124 F154 V164 L165 F170F108-I119 HydrophobicContact CD2-CD1 3.47Å; F108-I119 VanDerWaalsContact CD2-CD1 3.47Å; F108-I119 HydrophobicContact CD2-CG1 4.03Å; F108-I119 HydrophobicContact CE2-CD1 3.56Å; F108-I119 HydrophobicContact CE2-CG1 3.69Å; F108-I119 HydrophobicContact CG-CD1 4.35Å; F108-I119 HydrophobicContact CZ-CD1 4.5Å; F108-I119 HydrophobicContact CZ-CG1 4.2Å; Y111-I119 VanDerWaalsContact CB-CD1 3.49Å; Y111-I119 HydrophobicContact CG-CD1 4.38Å; D112-I119 HydrophobicContact CB-CG1 4.31Å; I119-M124 HydrophobicContact CG2-CB 4.21Å; I119-M124 HydrophobicContact CG2-CE 4.15Å; I119-F154 WeakPolarHBondContact O-CZ 3.39Å; I119-V164 CarbonylContact O-C 3.35Å; I119-V164 WeakPolarHBondContact O-CA 3.1Å; I119-L165 HydrophobicContact CB-CB 4.24Å; I119-L165 PolarHBondContact N-O 3.17Å; I119-L165 PolarHBondContact O-N 2.92Å; I119-F170 HydrophobicContact CD1-CB 4.45Å; I119-F170 HydrophobicContact CD1-CD2 3.48Å; I119-F170 VanDerWaalsContact CD1-CD2 3.48Å; I119-F170 HydrophobicContact CD1-CE2 3.87Å; I119-F170 HydrophobicContact CD1-CG 4.05Å
120E97.8Very high95.5Very high64 Ų6438.6 Ų38.630%0.29921%0.213SC..EExtended strand (participates in β ladder)trans-86.7153.4173-61.6-177.2-146.200111.2N116 H122 E123 M124 V164N116-E120 PolarHBondContact ND2-OE1 2.98Å; E120-H122 WeakPolarHBondContact CB-ND1 3.27Å; E120-H122 PolarHBondContact O-N 3.1Å; E120-H122 VanDerWaalsContact O-N 3.14Å; E120-H122 IonicContact OE2-CE1 2.8Å; E120-H122 PolarHBondContact OE2-CE1 2.82Å; E120-H122 IonicContact OE2-ND1 3.1Å; E120-H122 PolarHBondContact OE2-ND1 2.85Å; E120-H122 VanDerWaalsContact OE2-ND1 3.17Å; E120-E123 HydrophobicContact CB-CG 4.21Å; E120-E123 PolarHBondContact N-OE2 3.4Å; E120-E123 WeakPolarHBondContact O-CB 3.35Å; E120-E123 PolarHBondContact O-N 3.42Å; E120-M124 PolarHBondContact O-N 2.88Å; E120-M124 VanDerWaalsContact O-N 3.11Å; E120-V164 HydrophobicContact CG-CG1 3.92Å
121K97.3Very high95.3Very high85 Ų8539.3 Ų39.337%0.3722%0.217SC..Hα-helixtrans-52.1-40.6179.5-73.9-167.6172.2-161.40113.3E123 M124 V125 T150 D151 F154K121-E123 VanDerWaalsContact C-N 3.3Å; K121-E123 PolarHBondContact O-N 2.84Å; K121-M124 PolarHBondContact O-N 3.48Å; K121-V125 WeakPolarHBondContact O-CG2 3.38Å; K121-V125 PolarHBondContact O-N 2.79Å; K121-T150 HydrophobicContact CB-CG2 4Å; K121-T150 HydrophobicContact CG-CG2 4.09Å; K121-D151 IonicContact NZ-OD1 2.82Å; K121-D151 PolarHBondContact NZ-OD1 3.08Å; K121-F154 HydrophobicContact CB-CE2 4.34Å; K121-F154 HydrophobicContact CB-CZ 4.27Å; K121-F154 HydrophobicContact CD-CG 4.5Å; K121-F154 HydrophobicContact CG-CD1 3.85Å; K121-F154 HydrophobicContact CG-CD2 3.92Å; K121-F154 HydrophobicContact CG-CE1 3.66Å; K121-F154 HydrophobicContact CG-CE2 3.73Å; K121-F154 HydrophobicContact CG-CG 3.97Å; K121-F154 HydrophobicContact CG-CZ 3.6Å
122H97.4Very high95Very high108 Ų10840.5 Ų40.550%0.522%0.222SC..Hα-helixtrans-65.8-35.6-178.775.9-91.1000111.9E120 V125 E126E120-H122 WeakPolarHBondContact CB-ND1 3.27Å; E120-H122 PolarHBondContact O-N 3.1Å; E120-H122 VanDerWaalsContact O-N 3.14Å; E120-H122 IonicContact OE2-CE1 2.8Å; E120-H122 PolarHBondContact OE2-CE1 2.82Å; E120-H122 IonicContact OE2-ND1 3.1Å; E120-H122 PolarHBondContact OE2-ND1 2.85Å; E120-H122 VanDerWaalsContact OE2-ND1 3.17Å; H122-V125 PolarHBondContact O-N 3.35Å; H122-E126 PolarHBondContact O-N 3Å; H122-E126 VanDerWaalsContact O-N 3.09Å
123E97.7Very high94.7Very high1 Ų142 Ų421%0.00523%0.233CC..Hα-helixtrans-68.8-42.1176.6-57.4179.7121.900110.9Y111 I113 N114 E120 K121 V125 E126 I127Y111-E123 WeakPolarHBondContact O-CB 3.25Å; I113-E123 WeakPolarHBondContact CA-OE1 3.24Å; I113-E123 HydrophobicContact CB-CB 4.27Å; I113-E123 HydrophobicContact CB-CG 4.02Å; I113-E123 WeakPolarHBondContact CB-OE1 3.49Å; I113-E123 HydrophobicContact CD1-CB 3.95Å; I113-E123 HydrophobicContact CD1-CG 4.37Å; I113-E123 HydrophobicContact CG1-CB 4Å; I113-E123 HydrophobicContact CG1-CG 4.31Å; I113-E123 PolarHBondContact N-OE1 3.04Å; N114-E123 VanDerWaalsContact CG-OE1 3.29Å; N114-E123 PolarHBondContact N-OE1 2.62Å; N114-E123 PolarHBondContact ND2-OE1 3.32Å; N114-E123 VanDerWaalsContact ND2-OE1 3.16Å; E120-E123 HydrophobicContact CB-CG 4.21Å; E120-E123 PolarHBondContact N-OE2 3.4Å; E120-E123 WeakPolarHBondContact O-CB 3.35Å; E120-E123 PolarHBondContact O-N 3.42Å; K121-E123 VanDerWaalsContact C-N 3.3Å; K121-E123 PolarHBondContact O-N 2.84Å; E123-V125 PolarHBondContact O-N 2.97Å; E123-E126 WeakPolarHBondContact O-CB 3.47Å; E123-E126 PolarHBondContact O-N 3.44Å; E123-I127 PolarHBondContact O-N 3.34Å; E123-I127 VanDerWaalsContact O-N 3.11Å
124M95.5Very high94.3Very high0 Ų040.6 Ų40.60%023%0.226CC..Hα-helixtrans-61.7-43.4175-174.7170.5-69.500112.4Y111 I119 E120 K121 E126 I127 I128 T150 I153 F154 L165Y111-M124 HydrophobicContact CD1-CG 4.38Å; Y111-M124 HydrophobicContact CE1-CG 4.3Å; I119-M124 HydrophobicContact CG2-CB 4.21Å; I119-M124 HydrophobicContact CG2-CE 4.15Å; E120-M124 PolarHBondContact O-N 2.88Å; E120-M124 VanDerWaalsContact O-N 3.11Å; K121-M124 PolarHBondContact O-N 3.48Å; M124-E126 VanDerWaalsContact C-N 3.3Å; M124-E126 PolarHBondContact O-N 2.88Å; M124-I127 PolarHBondContact O-N 3.17Å; M124-I128 HydrophobicContact CG-CD1 3.81Å; M124-I128 HydrophobicContact CG-CG1 4.46Å; M124-I128 WeakPolarHBondContact O-CG1 3.32Å; M124-I128 PolarHBondContact O-N 3.14Å; M124-T150 HydrophobicContact CB-CG2 3.98Å; M124-T150 HydrophobicContact CG-CG2 4.07Å; M124-T150 HydrophobicContact SD-CG2 3.95Å; M124-I153 HydrophobicContact CE-CB 4.47Å; M124-I153 HydrophobicContact CE-CG2 3.66Å; M124-I153 HydrophobicContact SD-CB 3.72Å; M124-I153 HydrophobicContact SD-CD1 3.7Å; M124-I153 HydrophobicContact SD-CG1 4.32Å; M124-I153 HydrophobicContact SD-CG2 3.57Å; M124-I153 VanDerWaalsContact SD-CG2 3.57Å; M124-F154 HydrophobicContact CB-CE2 4.15Å; M124-F154 HydrophobicContact CE-CD2 4.21Å; M124-F154 HydrophobicContact CE-CE2 3.69Å; M124-F154 HydrophobicContact SD-CD2 3.82Å; M124-F154 HydrophobicContact SD-CE2 3.63Å; M124-L165 HydrophobicContact CE-CD1 3.59Å
125V96Very high93.9Very high20 Ų2041.3 Ų41.312%0.12123%0.229CC..Hα-helixtrans-59.4-41.6175.3169.40000111.3K121 H122 E123 I128 K129 P146 E147 T150K121-V125 WeakPolarHBondContact O-CG2 3.38Å; K121-V125 PolarHBondContact O-N 2.79Å; H122-V125 PolarHBondContact O-N 3.35Å; E123-V125 PolarHBondContact O-N 2.97Å; V125-I128 PolarHBondContact O-N 3.15Å; V125-K129 HydrophobicContact CG1-CD 3.9Å; V125-K129 HydrophobicContact CG1-CG 4.42Å; V125-K129 WeakPolarHBondContact O-CB 3.5Å; V125-K129 WeakPolarHBondContact O-CG 3.47Å; V125-K129 PolarHBondContact O-N 2.85Å; V125-P146 HydrophobicContact CG1-CB 4.12Å; V125-E147 HydrophobicContact CG1-CG 4.41Å; V125-E147 HydrophobicContact CG2-CG 4.34Å; V125-T150 HydrophobicContact CG2-CG2 4.02Å; V125-T150 WeakPolarHBondContact CG2-OG1 3.5Å; V125-T150 PolarHBondContact N-OG1 3.31Å
126E96.1Very high93.4Very high86 Ų8640.4 Ų40.440%0.40222%0.22SC..Hα-helixtrans-61.9-46.8179.1-173.3170.5147.200111.6H70 I113 H122 E123 M124 K129 A130H70-E126 IonicContact CE1-OE1 2.97Å; H70-E126 PolarHBondContact CE1-OE1 3.27Å; H70-E126 IonicContact NE2-OE1 2.65Å; I113-E126 HydrophobicContact CD1-CB 3.85Å; I113-E126 HydrophobicContact CD1-CG 3.91Å; H122-E126 PolarHBondContact O-N 3Å; H122-E126 VanDerWaalsContact O-N 3.09Å; E123-E126 WeakPolarHBondContact O-CB 3.47Å; E123-E126 PolarHBondContact O-N 3.44Å; M124-E126 VanDerWaalsContact C-N 3.3Å; M124-E126 PolarHBondContact O-N 2.88Å; E126-K129 PolarHBondContact O-N 3.41Å; E126-A130 WeakPolarHBondContact O-CB 3.35Å; E126-A130 PolarHBondContact O-N 3.12Å
127I93.8Very high92.7Very high0 Ų037.9 Ų37.90%021%0.211CC..Hα-helixtrans-64.9-42.3176.7-58.3-56.6000111.9H70 M110 Y111 I113 E123 M124 K129 A130 I131H70-I127 HydrophobicContact CB-CD1 3.71Å; H70-I127 VanDerWaalsContact CD2-CD1 3.43Å; H70-I127 WeakPolarHBondContact CD2-CD1 3.37Å; H70-I127 WeakPolarHBondContact ND1-CD1 3.33Å; M110-I127 HydrophobicContact CG-CD1 4.42Å; Y111-I127 HydrophobicContact CD1-CB 3.78Å; Y111-I127 HydrophobicContact CD1-CG1 3.79Å; Y111-I127 HydrophobicContact CD1-CG2 3.95Å; Y111-I127 HydrophobicContact CE1-CB 3.57Å; Y111-I127 HydrophobicContact CE1-CG1 4.11Å; Y111-I127 HydrophobicContact CE1-CG2 3.43Å; Y111-I127 VanDerWaalsContact CE1-CG2 3.43Å; Y111-I127 HydrophobicContact CE2-CG2 4.36Å; Y111-I127 HydrophobicContact CG-CG1 4.38Å; I113-I127 HydrophobicContact CD1-CD1 4.14Å; I113-I127 HydrophobicContact CD1-CG1 4.38Å; I113-I127 HydrophobicContact CG1-CD1 4.3Å; E123-I127 PolarHBondContact O-N 3.34Å; E123-I127 VanDerWaalsContact O-N 3.11Å; M124-I127 PolarHBondContact O-N 3.17Å; I127-K129 VanDerWaalsContact C-N 3.34Å; I127-K129 PolarHBondContact O-N 3.24Å; I127-A130 WeakPolarHBondContact O-CB 3.35Å; I127-A130 PolarHBondContact O-N 3.34Å; I127-I131 HydrophobicContact CG2-CD1 3.94Å; I127-I131 HydrophobicContact CG2-CG1 4.43Å; I127-I131 WeakPolarHBondContact O-CG1 3.45Å; I127-I131 PolarHBondContact O-N 2.76Å
128I92.4Very high91.6Very high2 Ų240.3 Ų40.31%0.0122%0.215CC..Hα-helixtrans-64.5-40.1179.1-66.7169.1000110.9M124 V125 A130 I131 Y132 P146 R149 I153M124-I128 HydrophobicContact CG-CD1 3.81Å; M124-I128 HydrophobicContact CG-CG1 4.46Å; M124-I128 WeakPolarHBondContact O-CG1 3.32Å; M124-I128 PolarHBondContact O-N 3.14Å; V125-I128 PolarHBondContact O-N 3.15Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 3.26Å; I128-I131 PolarHBondContact O-N 2.93Å; I128-Y132 HydrophobicContact CG2-CD1 4.2Å; I128-Y132 HydrophobicContact CG2-CD2 4.26Å; I128-Y132 HydrophobicContact CG2-CE1 3.88Å; I128-Y132 HydrophobicContact CG2-CE2 3.94Å; I128-Y132 HydrophobicContact CG2-CG 4.4Å; I128-Y132 PolarHBondContact O-N 3.46Å; I128-P146 HydrophobicContact CB-CB 4.25Å; I128-P146 HydrophobicContact CG2-CB 3.87Å; I128-P146 HydrophobicContact CG2-CG 4.29Å; I128-R149 HydrophobicContact CD1-CB 4.13Å; I128-R149 HydrophobicContact CD1-CG 3.88Å; I128-I153 HydrophobicContact CD1-CD1 3.96Å
129K92.6Very high90.2Very high88 Ų8848 Ų4838%0.38325%0.249SC..Hα-helixtrans-58.2-47.1172.6-80.1173.9-179.8169.80111.5V125 E126 I127 I131 Y132 S133 P146 E147V125-K129 HydrophobicContact CG1-CD 3.9Å; V125-K129 HydrophobicContact CG1-CG 4.42Å; V125-K129 WeakPolarHBondContact O-CB 3.5Å; V125-K129 WeakPolarHBondContact O-CG 3.47Å; V125-K129 PolarHBondContact O-N 2.85Å; E126-K129 PolarHBondContact O-N 3.41Å; I127-K129 VanDerWaalsContact C-N 3.34Å; I127-K129 PolarHBondContact O-N 3.24Å; K129-I131 VanDerWaalsContact C-N 3.32Å; K129-I131 PolarHBondContact O-N 2.96Å; K129-Y132 PolarHBondContact O-N 3.01Å; K129-S133 WeakPolarHBondContact O-CB 3.3Å; K129-S133 PolarHBondContact O-N 3.25Å; K129-P146 HydrophobicContact CD-CB 4.48Å; K129-P146 HydrophobicContact CD-CG 4.48Å; K129-P146 HydrophobicContact CG-CB 3.71Å; K129-P146 HydrophobicContact CG-CG 3.52Å; K129-E147 WeakPolarHBondContact CE-OE1 3.44Å; K129-E147 IonicContact NZ-OE1 3.28Å; K129-E147 PolarHBondContact NZ-OE1 3.08Å
130A92.4Very high88.8Confident0 Ų052.9 Ų52.90%028%0.283CS..Hα-helixtrans-60.9-39.9177.900000112.4E66 F67 E126 I127 I128 M134E66-A130 HydrophobicContact CB-CB 3.76Å; F67-A130 HydrophobicContact CB-CB 4.1Å; E126-A130 WeakPolarHBondContact O-CB 3.35Å; E126-A130 PolarHBondContact O-N 3.12Å; I127-A130 WeakPolarHBondContact O-CB 3.35Å; I127-A130 PolarHBondContact O-N 3.34Å; I128-A130 VanDerWaalsContact C-N 3.34Å; I128-A130 PolarHBondContact O-N 3.26Å; A130-M134 WeakPolarHBondContact O-CB 3.45Å; A130-M134 PolarHBondContact O-N 2.99Å
131I89.1Confident87.8Confident24 Ų2454.1 Ų54.112%0.12330%0.295CS..Hα-helixtrans-65.5-48.7175.5-67.9166.4000111F67 I127 I128 K129 S133 M134 L135F67-I131 HydrophobicContact CD2-CG1 3.65Å; F67-I131 HydrophobicContact CE2-CD1 4.25Å; F67-I131 HydrophobicContact CE2-CG1 3.62Å; I127-I131 HydrophobicContact CG2-CD1 3.94Å; I127-I131 HydrophobicContact CG2-CG1 4.43Å; I127-I131 WeakPolarHBondContact O-CG1 3.45Å; I127-I131 PolarHBondContact O-N 2.76Å; I128-I131 PolarHBondContact O-N 2.93Å; K129-I131 VanDerWaalsContact C-N 3.32Å; K129-I131 PolarHBondContact O-N 2.96Å; I131-S133 VanDerWaalsContact C-N 3.32Å; I131-S133 PolarHBondContact O-N 3.39Å; I131-M134 PolarHBondContact O-N 3.44Å; I131-L135 HydrophobicContact CG2-CD1 3.9Å; I131-L135 HydrophobicContact CG2-CG 4.44Å; I131-L135 WeakPolarHBondContact O-CG 3.45Å; I131-L135 PolarHBondContact O-N 3.16Å
132Y89.2Confident86.9Confident27 Ų2751.4 Ų51.411%0.10629%0.285CS..Hα-helixtrans-60.2-43.8179.1-73.71.7000111.3I128 K129 M134 L135 G136 A137 V142 L144 P146 R149I128-Y132 HydrophobicContact CG2-CD1 4.2Å; I128-Y132 HydrophobicContact CG2-CD2 4.26Å; I128-Y132 HydrophobicContact CG2-CE1 3.88Å; I128-Y132 HydrophobicContact CG2-CE2 3.94Å; I128-Y132 HydrophobicContact CG2-CG 4.4Å; I128-Y132 PolarHBondContact O-N 3.46Å; K129-Y132 PolarHBondContact O-N 3.01Å; Y132-M134 PolarHBondContact O-N 2.91Å; Y132-L135 PolarHBondContact O-N 3.25Å; Y132-G136 PolarHBondContact O-N 3.38Å; Y132-A137 PolarHBondContact O-N 3.37Å; Y132-V142 HydrophobicContact CD1-CG1 4.24Å; Y132-V142 HydrophobicContact CD2-CB 4.39Å; Y132-V142 HydrophobicContact CD2-CG1 3.81Å; Y132-V142 HydrophobicContact CD2-CG2 4.31Å; Y132-V142 HydrophobicContact CE1-CG1 4.2Å; Y132-V142 HydrophobicContact CE2-CB 3.9Å; Y132-V142 HydrophobicContact CE2-CG1 3.77Å; Y132-V142 HydrophobicContact CE2-CG2 3.9Å; Y132-V142 HydrophobicContact CG-CG1 4.04Å; Y132-L144 VanDerWaalsContact CE2-O 3.28Å; Y132-L144 WeakPolarHBondContact CE2-O 3.45Å; Y132-L144 PolarHBondContact OH-O 3.05Å; Y132-P146 HydrophobicContact CD2-CG 3.8Å; Y132-P146 HydrophobicContact CE2-CG 3.93Å; Y132-R149 PolarHBondContact OH-NE 3.41Å; Y132-R149 VanDerWaalsContact OH-NE 3.14Å; Y132-R149 PolarHBondContact OH-NH2 2.84Å
133S89.9Confident86.2Confident42 Ų4253.3 Ų53.329%0.29430%0.299SS..Hα-helixtrans-58.8-47.1174.9-167.80000111.8G62 D63 K129 I131 L135 G136G62-S133 CarbonylContact C-O 3.59Å; G62-S133 WeakPolarHBondContact CA-O 3.16Å; D63-S133 PolarHBondContact N-O 3.39Å; D63-S133 CarbonylContact O-C 3.46Å; D63-S133 PolarHBondContact O-OG 3.25Å; K129-S133 WeakPolarHBondContact O-CB 3.3Å; K129-S133 PolarHBondContact O-N 3.25Å; I131-S133 VanDerWaalsContact C-N 3.32Å; I131-S133 PolarHBondContact O-N 3.39Å; S133-L135 VanDerWaalsContact C-N 3.29Å; S133-L135 PolarHBondContact O-N 3.19Å; S133-G136 PolarHBondContact O-N 2.89Å
134M87.9Confident85.8Confident10 Ų1055.7 Ų55.75%0.04931%0.312CS..Hα-helixtrans-60.7-37.4177.6-179.4-176.969.800112.5Y55 F59 G62 D63 A64 F67 A130 I131 Y132 G136Y55-M134 HydrophobicContact CD1-SD 4.41Å; F59-M134 HydrophobicContact CB-CG 4.13Å; F59-M134 WeakPolarHBondContact CB-O 3.45Å; F59-M134 HydrophobicContact CD1-CG 4.24Å; F59-M134 HydrophobicContact CD2-CG 3.91Å; F59-M134 HydrophobicContact CD2-SD 3.84Å; F59-M134 HydrophobicContact CE1-CE 4.29Å; F59-M134 HydrophobicContact CE2-CE 4.24Å; F59-M134 HydrophobicContact CE2-CG 4.39Å; F59-M134 HydrophobicContact CE2-SD 3.79Å; F59-M134 HydrophobicContact CG-CG 3.83Å; F59-M134 HydrophobicContact CG-SD 4.31Å; F59-M134 HydrophobicContact CZ-CE 4.04Å; F59-M134 HydrophobicContact CZ-SD 4.21Å; G62-M134 WeakPolarHBondContact CA-O 3.43Å; D63-M134 VanDerWaalsContact O-CA 3.25Å; D63-M134 WeakPolarHBondContact O-CA 3.47Å; D63-M134 PolarHBondContact O-N 3.05Å; D63-M134 VanDerWaalsContact O-N 3.16Å; A64-M134 HydrophobicContact CB-CG 3.92Å; A64-M134 HydrophobicContact CB-SD 4.45Å; F67-M134 HydrophobicContact CB-CB 4.25Å; F67-M134 HydrophobicContact CB-SD 4.12Å; F67-M134 HydrophobicContact CD1-CE 3.88Å; F67-M134 HydrophobicContact CD1-SD 3.27Å; F67-M134 WeakPolarHBondContact CD1-SD 3.22Å; F67-M134 HydrophobicContact CE1-CE 3.97Å; F67-M134 HydrophobicContact CE1-SD 3.83Å; F67-M134 HydrophobicContact CG-CE 4.25Å; F67-M134 HydrophobicContact CG-SD 3.82Å; F67-M134 HydrophobicContact CZ-CE 4.45Å; A130-M134 WeakPolarHBondContact O-CB 3.45Å; A130-M134 PolarHBondContact O-N 2.99Å; I131-M134 PolarHBondContact O-N 3.44Å; Y132-M134 PolarHBondContact O-N 2.91Å; M134-G136 PolarHBondContact O-N 2.94Å
135L85.4Confident85.6Confident99 Ų9958.2 Ų58.252%0.51833%0.329SS..THydrogen-bonded Turntrans-79.6-2.1178.7-64.7176.2000113.2F59 I131 Y132 S133 A137F59-L135 HydrophobicContact CD1-CD2 4.25Å; F59-L135 HydrophobicContact CE1-CD2 3.99Å; I131-L135 HydrophobicContact CG2-CD1 3.9Å; I131-L135 HydrophobicContact CG2-CG 4.44Å; I131-L135 WeakPolarHBondContact O-CG 3.45Å; I131-L135 PolarHBondContact O-N 3.16Å; Y132-L135 PolarHBondContact O-N 3.25Å; S133-L135 VanDerWaalsContact C-N 3.29Å; S133-L135 PolarHBondContact O-N 3.19Å; L135-A137 PolarHBondContact O-N 3.09Å
136G83.7Confident85.4Confident40 Ų4058 Ų5841%0.41233%0.329SS..THydrogen-bonded Turntrans66.421.9-174.600000112.7Y132 S133 M134Y132-G136 PolarHBondContact O-N 3.38Å; S133-G136 PolarHBondContact O-N 2.89Å; M134-G136 PolarHBondContact O-N 2.94Å
137A80.8Confident85.4Confident31 Ų3157.8 Ų57.826%0.25633%0.327SS..  trans-80.7132.5-178.900000110.1Y132 L135 T141 V142Y132-A137 PolarHBondContact O-N 3.37Å; L135-A137 PolarHBondContact O-N 3.09Å; A137-T141 WeakPolarHBondContact CA-OG1 3.39Å; A137-V142 HydrophobicContact CB-CG1 3.5Å; A137-V142 VanDerWaalsContact CB-CG1 3.5Å
138D72.7Confident85.4Confident88 Ų8859.7 Ų59.747%0.47134%0.343SS..  trans-108.4173.4172.366.819.8000111.4S140 T141 V142D138-S140 VanDerWaalsContact CG-OG 3.27Å; D138-S140 PolarHBondContact O-N 3.24Å; D138-S140 WeakPolarHBondContact OD1-CA 3.33Å; D138-S140 WeakPolarHBondContact OD1-CB 3.4Å; D138-S140 PolarHBondContact OD1-N 2.96Å; D138-S140 PolarHBondContact OD1-OG 3Å; D138-S140 PolarHBondContact OD2-OG 2.83Å; D138-T141 PolarHBondContact N-OG1 2.76Å; D138-T141 PolarHBondContact O-N 3.38Å; D138-T141 PolarHBondContact O-OG1 3.44Å; D138-T141 WeakPolarHBondContact OD1-CG2 3.28Å; D138-T141 PolarHBondContact OD1-N 2.8Å; D138-T141 PolarHBondContact OD1-OG1 3.47Å; D138-V142 PolarHBondContact O-N 3.07Å
139E67.7Low85.4Confident193 Ų19361.7 Ų61.790%0.90235%0.35SS*.THydrogen-bonded Turntrans-56.1-18.5177.3-67.1-174167.600113.9
140S70Confident85.5Confident102 Ų10257.6 Ų57.671%0.71333%0.333SS*.THydrogen-bonded Turntrans-89.5-16179.680.50000113.7D138D138-S140 VanDerWaalsContact CG-OG 3.27Å; D138-S140 PolarHBondContact O-N 3.24Å; D138-S140 WeakPolarHBondContact OD1-CA 3.33Å; D138-S140 WeakPolarHBondContact OD1-CB 3.4Å; D138-S140 PolarHBondContact OD1-N 2.96Å; D138-S140 PolarHBondContact OD1-OG 3Å; D138-S140 PolarHBondContact OD2-OG 2.83Å
141T76.2Confident85.6Confident90 Ų9061.5 Ų61.555%0.55235%0.354SS*.THydrogen-bonded Turntrans-108.4-17-174.747.30000113.1A137 D138A137-T141 WeakPolarHBondContact CA-OG1 3.39Å; D138-T141 PolarHBondContact N-OG1 2.76Å; D138-T141 PolarHBondContact O-N 3.38Å; D138-T141 PolarHBondContact O-OG1 3.44Å; D138-T141 WeakPolarHBondContact OD1-CG2 3.28Å; D138-T141 PolarHBondContact OD1-N 2.8Å; D138-T141 PolarHBondContact OD1-OG1 3.47Å
142V78.8Confident85.8Confident29 Ų2963.5 Ų63.518%0.17636%0.362CS..  trans-97137.9176.2-57.80000111.8Y132 A137 D138 L144Y132-V142 HydrophobicContact CD1-CG1 4.24Å; Y132-V142 HydrophobicContact CD2-CB 4.39Å; Y132-V142 HydrophobicContact CD2-CG1 3.81Å; Y132-V142 HydrophobicContact CD2-CG2 4.31Å; Y132-V142 HydrophobicContact CE1-CG1 4.2Å; Y132-V142 HydrophobicContact CE2-CB 3.9Å; Y132-V142 HydrophobicContact CE2-CG1 3.77Å; Y132-V142 HydrophobicContact CE2-CG2 3.9Å; Y132-V142 HydrophobicContact CG-CG1 4.04Å; A137-V142 HydrophobicContact CB-CG1 3.5Å; A137-V142 VanDerWaalsContact CB-CG1 3.5Å; D138-V142 PolarHBondContact O-N 3.07Å; V142-L144 VanDerWaalsContact C-N 3.28Å; V142-L144 WeakPolarHBondContact CG2-O 3.41Å; V142-L144 PolarHBondContact O-N 3.19Å
143D82.8Confident86Confident148 Ų14862.2 Ų62.279%0.79136%0.358SS*.SBendtrans-68.2-29178-63.8-41.1000113.1
144L88.1Confident86.3Confident51 Ų5160.5 Ų60.527%0.26735%0.345SS..SBendtrans-137.8139.3-178-66.4179.1000110Y132 V142 A148 R149 E152Y132-L144 VanDerWaalsContact CE2-O 3.28Å; Y132-L144 WeakPolarHBondContact CE2-O 3.45Å; Y132-L144 PolarHBondContact OH-O 3.05Å; V142-L144 VanDerWaalsContact C-N 3.28Å; V142-L144 WeakPolarHBondContact CG2-O 3.41Å; V142-L144 PolarHBondContact O-N 3.19Å; L144-A148 HydrophobicContact CB-CB 4.25Å; L144-A148 HydrophobicContact CD2-CB 4.16Å; L144-R149 HydrophobicContact CB-CB 4.22Å; L144-E152 VanDerWaalsContact CD1-OE2 3.25Å; L144-E152 WeakPolarHBondContact CD1-OE2 3.5Å
145S91.9Very high86.6Confident52 Ų5268.2 Ų68.236%0.36438%0.381SS..  trans-59.8157.2167.286.50000110.2E147 A148 R149S145-E147 PolarHBondContact O-N 3.1Å; S145-E147 PolarHBondContact OG-N 2.84Å; S145-E147 PolarHBondContact OG-OE2 2.91Å; S145-E147 VanDerWaalsContact OG-OE2 3.12Å; S145-A148 PolarHBondContact O-N 2.89Å; S145-A148 PolarHBondContact OG-N 3.15Å; S145-R149 WeakPolarHBondContact O-CB 3.13Å; S145-R149 PolarHBondContact O-N 3.18Å
146P92.2Very high87Confident17 Ų1767.8 Ų67.811%0.1137%0.374CS..Hα-helixtrans-52-40.3175.2-28.336.3000113.3V125 I128 K129 Y132 T150V125-P146 HydrophobicContact CG1-CB 4.12Å; I128-P146 HydrophobicContact CB-CB 4.25Å; I128-P146 HydrophobicContact CG2-CB 3.87Å; I128-P146 HydrophobicContact CG2-CG 4.29Å; K129-P146 HydrophobicContact CD-CB 4.48Å; K129-P146 HydrophobicContact CD-CG 4.48Å; K129-P146 HydrophobicContact CG-CB 3.71Å; K129-P146 HydrophobicContact CG-CG 3.52Å; Y132-P146 HydrophobicContact CD2-CG 3.8Å; Y132-P146 HydrophobicContact CE2-CG 3.93Å; P146-T150 WeakPolarHBondContact O-CB 3.02Å; P146-T150 PolarHBondContact O-N 2.8Å; P146-T150 PolarHBondContact O-OG1 3.34Å
147E95.5Very high87.5Confident81 Ų8166 Ų6638%0.37936%0.356SS..Hα-helixtrans-65.9-49177.8-61.775.6-16700111.9V125 K129 S145 R149 T150 D151V125-E147 HydrophobicContact CG1-CG 4.41Å; V125-E147 HydrophobicContact CG2-CG 4.34Å; K129-E147 WeakPolarHBondContact CE-OE1 3.44Å; K129-E147 IonicContact NZ-OE1 3.28Å; K129-E147 PolarHBondContact NZ-OE1 3.08Å; S145-E147 PolarHBondContact O-N 3.1Å; S145-E147 PolarHBondContact OG-N 2.84Å; S145-E147 PolarHBondContact OG-OE2 2.91Å; S145-E147 VanDerWaalsContact OG-OE2 3.12Å; E147-R149 VanDerWaalsContact C-N 3.27Å; E147-R149 PolarHBondContact O-N 3.1Å; E147-T150 WeakPolarHBondContact O-CB 3.19Å; E147-T150 PolarHBondContact O-N 2.84Å; E147-D151 PolarHBondContact O-N 3.32Å
148A94.2Very high88.2Confident39 Ų3965.3 Ų65.332%0.32235%0.348SS..Hα-helixtrans-63.7-36.5178.600000111.8L144 S145 D151 E152L144-A148 HydrophobicContact CB-CB 4.25Å; L144-A148 HydrophobicContact CD2-CB 4.16Å; S145-A148 PolarHBondContact O-N 2.89Å; S145-A148 PolarHBondContact OG-N 3.15Å; A148-D151 PolarHBondContact O-N 3.1Å; A148-E152 PolarHBondContact O-N 2.87Å; A148-E152 VanDerWaalsContact O-N 3.09Å
149R92Very high89.2Confident44 Ų4466.1 Ų66.117%0.16636%0.36CS..Hα-helixtrans-65.7-45.2174.9-17176.577-174.81.1111.5I128 Y132 L144 S145 E147 D151 E152 I153 M183I128-R149 HydrophobicContact CD1-CB 4.13Å; I128-R149 HydrophobicContact CD1-CG 3.88Å; Y132-R149 PolarHBondContact OH-NE 3.41Å; Y132-R149 VanDerWaalsContact OH-NE 3.14Å; Y132-R149 PolarHBondContact OH-NH2 2.84Å; L144-R149 HydrophobicContact CB-CB 4.22Å; S145-R149 WeakPolarHBondContact O-CB 3.13Å; S145-R149 PolarHBondContact O-N 3.18Å; E147-R149 VanDerWaalsContact C-N 3.27Å; E147-R149 PolarHBondContact O-N 3.1Å; R149-D151 VanDerWaalsContact C-N 3.32Å; R149-D151 PolarHBondContact O-N 2.99Å; R149-E152 PolarHBondContact O-N 2.73Å; R149-I153 HydrophobicContact CG-CD1 4.1Å; R149-I153 VanDerWaalsContact O-CG1 3.29Å; R149-I153 WeakPolarHBondContact O-CG1 3.25Å; R149-I153 PolarHBondContact O-N 2.81Å; R149-M183 HydrophobicContact CG-CE 3.26Å; R149-M183 HydrophobicContact CG-SD 4.42Å
150T95Very high90.5Very high2 Ų260.9 Ų60.91%0.01234%0.338CS..Hα-helixtrans-58.7-45.1174.5-68.30000111.1K121 M124 V125 P146 E147 E152 I153 F154K121-T150 HydrophobicContact CB-CG2 4Å; K121-T150 HydrophobicContact CG-CG2 4.09Å; M124-T150 HydrophobicContact CB-CG2 3.98Å; M124-T150 HydrophobicContact CG-CG2 4.07Å; M124-T150 HydrophobicContact SD-CG2 3.95Å; V125-T150 HydrophobicContact CG2-CG2 4.02Å; V125-T150 WeakPolarHBondContact CG2-OG1 3.5Å; V125-T150 PolarHBondContact N-OG1 3.31Å; P146-T150 WeakPolarHBondContact O-CB 3.02Å; P146-T150 PolarHBondContact O-N 2.8Å; P146-T150 PolarHBondContact O-OG1 3.34Å; E147-T150 WeakPolarHBondContact O-CB 3.19Å; E147-T150 PolarHBondContact O-N 2.84Å; T150-E152 VanDerWaalsContact C-N 3.34Å; T150-E152 PolarHBondContact O-N 3.5Å; T150-I153 PolarHBondContact O-N 3.23Å; T150-F154 HydrophobicContact CG2-CD2 3.73Å; T150-F154 HydrophobicContact CG2-CE2 3.84Å; T150-F154 WeakPolarHBondContact O-CD2 3.27Å; T150-F154 PolarHBondContact O-N 3.14Å
151D95.4Very high91.7Very high83 Ų8360.9 Ų60.944%0.44434%0.338SS..Hα-helixtrans-61.7-40.9179-76.5-30.3000112.2K121 E147 A148 R149 I153 F154 E155K121-D151 IonicContact NZ-OD1 2.82Å; K121-D151 PolarHBondContact NZ-OD1 3.08Å; E147-D151 PolarHBondContact O-N 3.32Å; A148-D151 PolarHBondContact O-N 3.1Å; R149-D151 VanDerWaalsContact C-N 3.32Å; R149-D151 PolarHBondContact O-N 2.99Å; D151-I153 PolarHBondContact O-N 3.35Å; D151-F154 PolarHBondContact O-N 3.12Å; D151-E155 WeakPolarHBondContact O-CB 3.17Å; D151-E155 PolarHBondContact O-N 2.75Å
152E93.1Very high92.7Very high65 Ų6560.9 Ų60.930%0.30434%0.335SS..Hα-helixtrans-62.1-41.8174.8-167.8-164.4132.900112.1L144 A148 R149 T150 E155 K156L144-E152 VanDerWaalsContact CD1-OE2 3.25Å; L144-E152 WeakPolarHBondContact CD1-OE2 3.5Å; A148-E152 PolarHBondContact O-N 2.87Å; A148-E152 VanDerWaalsContact O-N 3.09Å; R149-E152 PolarHBondContact O-N 2.73Å; T150-E152 VanDerWaalsContact C-N 3.34Å; T150-E152 PolarHBondContact O-N 3.5Å; E152-E155 PolarHBondContact O-N 2.82Å; E152-K156 WeakPolarHBondContact O-CG 3.44Å; E152-K156 PolarHBondContact O-N 3.5Å; E152-K156 IonicContact OE1-NZ 3.75Å; E152-K156 PolarHBondContact OE1-NZ 2.87Å
153I93.3Very high93.5Very high1 Ų161 Ų611%0.00534%0.342CS..Hα-helixtrans-64.9-47178.7-66.6163.4000110.2M124 I128 R149 T150 D151 E155 K156 M157 L165 L180 M183 L184M124-I153 HydrophobicContact CE-CB 4.47Å; M124-I153 HydrophobicContact CE-CG2 3.66Å; M124-I153 HydrophobicContact SD-CB 3.72Å; M124-I153 HydrophobicContact SD-CD1 3.7Å; M124-I153 HydrophobicContact SD-CG1 4.32Å; M124-I153 HydrophobicContact SD-CG2 3.57Å; M124-I153 VanDerWaalsContact SD-CG2 3.57Å; I128-I153 HydrophobicContact CD1-CD1 3.96Å; R149-I153 HydrophobicContact CG-CD1 4.1Å; R149-I153 VanDerWaalsContact O-CG1 3.29Å; R149-I153 WeakPolarHBondContact O-CG1 3.25Å; R149-I153 PolarHBondContact O-N 2.81Å; T150-I153 PolarHBondContact O-N 3.23Å; D151-I153 PolarHBondContact O-N 3.35Å; I153-E155 PolarHBondContact O-N 2.93Å; I153-K156 PolarHBondContact O-N 3.39Å; I153-M157 HydrophobicContact CG2-CG 4.26Å; I153-M157 HydrophobicContact CG2-SD 3.4Å; I153-M157 WeakPolarHBondContact CG2-SD 3.46Å; I153-M157 WeakPolarHBondContact O-CB 3.3Å; I153-M157 WeakPolarHBondContact O-CG 3.24Å; I153-M157 PolarHBondContact O-N 2.91Å; I153-L165 HydrophobicContact CG2-CD1 4.44Å; I153-L180 HydrophobicContact CG1-CD2 3.93Å; I153-M183 HydrophobicContact CD1-CE 4.28Å; I153-L184 HydrophobicContact CD1-CD2 4.19Å
154F96.1Very high94.2Very high5 Ų555.4 Ų55.42%0.02231%0.313CS..Hα-helixtrans-63.8-40.9178.3-89.3-104.6000111.9I119 K121 M124 T150 D151 K156 M157 D158 G163 L165I119-F154 WeakPolarHBondContact O-CZ 3.39Å; K121-F154 HydrophobicContact CB-CE2 4.34Å; K121-F154 HydrophobicContact CB-CZ 4.27Å; K121-F154 HydrophobicContact CD-CG 4.5Å; K121-F154 HydrophobicContact CG-CD1 3.85Å; K121-F154 HydrophobicContact CG-CD2 3.92Å; K121-F154 HydrophobicContact CG-CE1 3.66Å; K121-F154 HydrophobicContact CG-CE2 3.73Å; K121-F154 HydrophobicContact CG-CG 3.97Å; K121-F154 HydrophobicContact CG-CZ 3.6Å; M124-F154 HydrophobicContact CB-CE2 4.15Å; M124-F154 HydrophobicContact CE-CD2 4.21Å; M124-F154 HydrophobicContact CE-CE2 3.69Å; M124-F154 HydrophobicContact SD-CD2 3.82Å; M124-F154 HydrophobicContact SD-CE2 3.63Å; T150-F154 HydrophobicContact CG2-CD2 3.73Å; T150-F154 HydrophobicContact CG2-CE2 3.84Å; T150-F154 WeakPolarHBondContact O-CD2 3.27Å; T150-F154 PolarHBondContact O-N 3.14Å; D151-F154 PolarHBondContact O-N 3.12Å; F154-K156 PolarHBondContact O-N 3.44Å; F154-M157 PolarHBondContact O-N 3.4Å; F154-D158 HydrophobicContact CD1-CB 4.04Å; F154-D158 WeakPolarHBondContact O-CB 3.29Å; F154-D158 PolarHBondContact O-N 3.27Å; F154-G163 WeakPolarHBondContact CE1-O 3.36Å; F154-L165 HydrophobicContact CD1-CD2 4.19Å; F154-L165 HydrophobicContact CD1-CG 4.22Å; F154-L165 HydrophobicContact CD2-CD1 4.43Å; F154-L165 HydrophobicContact CE1-CD2 4.25Å; F154-L165 HydrophobicContact CE1-CG 3.85Å; F154-L165 HydrophobicContact CE2-CD1 4.19Å; F154-L165 HydrophobicContact CE2-CG 4.27Å; F154-L165 HydrophobicContact CZ-CD1 4.28Å; F154-L165 HydrophobicContact CZ-CG 3.88Å
155E94.4Very high94.7Very high172 Ų17253 Ų5380%0.80430%0.3SS*.Hα-helixtrans-58.1-31.4176.1-174176.1-172.200112.5D151 E152 I153D151-E155 WeakPolarHBondContact O-CB 3.17Å; D151-E155 PolarHBondContact O-N 2.75Å; E152-E155 PolarHBondContact O-N 2.82Å; I153-E155 PolarHBondContact O-N 2.93Å
156K92.4Very high94.9Very high90 Ų9052.6 Ų52.639%0.39130%0.296SS..Hα-helixtrans-85.2-33.5179.2-71175176.4175.70114E152 I153 F154 D177 L180E152-K156 WeakPolarHBondContact O-CG 3.44Å; E152-K156 PolarHBondContact O-N 3.5Å; E152-K156 IonicContact OE1-NZ 3.75Å; E152-K156 PolarHBondContact OE1-NZ 2.87Å; I153-K156 PolarHBondContact O-N 3.39Å; F154-K156 PolarHBondContact O-N 3.44Å; K156-D177 IonicContact NZ-OD2 3.23Å; K156-L180 HydrophobicContact CB-CD1 4.16Å; K156-L180 HydrophobicContact CD-CD1 4.03Å; K156-L180 HydrophobicContact CD-CD2 4.49Å; K156-L180 HydrophobicContact CD-CG 4.48Å
157M94.5Very high95.1Very high3 Ų357.2 Ų57.22%0.01531%0.311CS..Hα-helixtrans-108.1-34.8-167.3-57.9-179.986.200113.7I153 F154 S159 L165 E169 F170 L180 L184I153-M157 HydrophobicContact CG2-CG 4.26Å; I153-M157 HydrophobicContact CG2-SD 3.4Å; I153-M157 WeakPolarHBondContact CG2-SD 3.46Å; I153-M157 WeakPolarHBondContact O-CB 3.3Å; I153-M157 WeakPolarHBondContact O-CG 3.24Å; I153-M157 PolarHBondContact O-N 2.91Å; F154-M157 PolarHBondContact O-N 3.4Å; M157-S159 PolarHBondContact O-N 3.39Å; M157-S159 PolarHBondContact O-OG 2.99Å; M157-L165 HydrophobicContact CB-CD1 4.08Å; M157-L165 HydrophobicContact CB-CD2 3.66Å; M157-L165 HydrophobicContact SD-CD1 4.06Å; M157-E169 WeakPolarHBondContact O-CB 3.47Å; M157-F170 VanDerWaalsContact CE-CA 3.4Å; M157-F170 HydrophobicContact CE-CB 4.37Å; M157-F170 HydrophobicContact CE-CD2 4.01Å; M157-F170 HydrophobicContact CE-CG 4.28Å; M157-F170 WeakPolarHBondContact CE-O 3.4Å; M157-L180 HydrophobicContact CG-CD1 3.94Å; M157-L180 HydrophobicContact SD-CD1 4.06Å; M157-L184 HydrophobicContact SD-CD1 4.41Å
158D96Very high95.1Very high17 Ų1759.9 Ų59.99%0.09132%0.324CS..  trans-75.676.4-178.9-176-0.7000110F154 N160 S161 D162 G163 L165F154-D158 HydrophobicContact CD1-CB 4.04Å; F154-D158 WeakPolarHBondContact O-CB 3.29Å; F154-D158 PolarHBondContact O-N 3.27Å; D158-N160 PolarHBondContact O-N 3.41Å; D158-N160 PolarHBondContact OD1-OD1 3.11Å; D158-S161 PolarHBondContact O-N 3.41Å; D158-S161 WeakPolarHBondContact OD1-CA 3.37Å; D158-S161 PolarHBondContact OD1-N 3.28Å; D158-S161 WeakPolarHBondContact OD2-CA 3.46Å; D158-D162 PolarHBondContact OD1-N 2.9Å; D158-G163 WeakPolarHBondContact OD2-CA 3.31Å; D158-G163 PolarHBondContact OD2-N 3.37Å; D158-L165 HydrophobicContact CB-CD2 3.67Å
159S93.1Very high95.2Very high105 Ų10559 Ų5973%0.73431%0.313SS*.THydrogen-bonded Turntrans-67.1-25.4-171.6-640000112.5M157M157-S159 PolarHBondContact O-N 3.39Å; M157-S159 PolarHBondContact O-OG 2.99Å
160N95.1Very high95.4Very high83 Ų8356.9 Ų56.944%0.44431%0.305SS..THydrogen-bonded Turntrans-98.1-11.6-179.175.138.5000112.6D158 D162 E169D158-N160 PolarHBondContact O-N 3.41Å; D158-N160 PolarHBondContact OD1-OD1 3.11Å; N160-D162 VanDerWaalsContact C-N 3.32Å; N160-D162 PolarHBondContact ND2-OD2 3.44Å; N160-D162 VanDerWaalsContact ND2-OD2 3.13Å; N160-D162 PolarHBondContact O-N 3.3Å; N160-D162 WeakPolarHBondContact OD1-CA 3.39Å; N160-D162 WeakPolarHBondContact OD1-CB 3.33Å; N160-D162 PolarHBondContact OD1-N 2.81Å; N160-D162 PolarHBondContact OD1-OD1 3.15Å; N160-D162 PolarHBondContact OD1-OD2 3.38Å; N160-D162 VanDerWaalsContact OD1-OD2 3.14Å; N160-E169 PolarHBondContact ND2-OE1 3.42Å
161S95.1Very high95.3Very high101 Ų10158 Ų5871%0.70631%0.31SS*.  trans58.935.4-179.5-55.30000114.2D158 G163D158-S161 PolarHBondContact O-N 3.41Å; D158-S161 WeakPolarHBondContact OD1-CA 3.37Å; D158-S161 PolarHBondContact OD1-N 3.28Å; D158-S161 WeakPolarHBondContact OD2-CA 3.46Å; S161-G163 VanDerWaalsContact C-N 3.3Å
162D97Very high95.1Very high90 Ų9058.8 Ų58.848%0.48131%0.314SS..SBendtrans-83.7-7.3176.370.714.8000113D158 N160 V164D158-D162 PolarHBondContact OD1-N 2.9Å; N160-D162 VanDerWaalsContact C-N 3.32Å; N160-D162 PolarHBondContact ND2-OD2 3.44Å; N160-D162 VanDerWaalsContact ND2-OD2 3.13Å; N160-D162 PolarHBondContact O-N 3.3Å; N160-D162 WeakPolarHBondContact OD1-CA 3.39Å; N160-D162 WeakPolarHBondContact OD1-CB 3.33Å; N160-D162 PolarHBondContact OD1-N 2.81Å; N160-D162 PolarHBondContact OD1-OD1 3.15Å; N160-D162 PolarHBondContact OD1-OD2 3.38Å; N160-D162 VanDerWaalsContact OD1-OD2 3.14Å; D162-V164 WeakPolarHBondContact OD1-CG2 3.37Å; D162-V164 PolarHBondContact OD1-N 3.12Å; D162-V164 VanDerWaalsContact OD1-O 3.07Å
163G96.2Very high95.1Very high31 Ų3156.2 Ų56.232%0.3231%0.306SS..SBendtrans887.2176.400000114.3F154 D158 S161F154-G163 WeakPolarHBondContact CE1-O 3.36Å; D158-G163 WeakPolarHBondContact OD2-CA 3.31Å; D158-G163 PolarHBondContact OD2-N 3.37Å; S161-G163 VanDerWaalsContact C-N 3.3Å
164V97.6Very high95Very high32 Ų3256.3 Ų56.319%0.19431%0.306CS..EExtended strand (participates in β ladder)trans-129.8157.3172.3-57.30000110.7T118 I119 E120 D162T118-V164 HydrophobicContact CG2-CG2 4.02Å; I119-V164 CarbonylContact O-C 3.35Å; I119-V164 WeakPolarHBondContact O-CA 3.1Å; E120-V164 HydrophobicContact CG-CG1 3.92Å; D162-V164 WeakPolarHBondContact OD1-CG2 3.37Å; D162-V164 PolarHBondContact OD1-N 3.12Å; D162-V164 VanDerWaalsContact OD1-O 3.07Å
165L97.8Very high94.6Very high0 Ų060.6 Ų60.60%033%0.327CS..EExtended strand (participates in β ladder)trans-104.4117.5170.3-58.6179.5000109.6T118 I119 M124 I153 F154 M157 D158 E169T118-L165 CarbonylContact C-O 3.54Å; T118-L165 WeakPolarHBondContact CA-O 3.49Å; I119-L165 HydrophobicContact CB-CB 4.24Å; I119-L165 PolarHBondContact N-O 3.17Å; I119-L165 PolarHBondContact O-N 2.92Å; M124-L165 HydrophobicContact CE-CD1 3.59Å; I153-L165 HydrophobicContact CG2-CD1 4.44Å; F154-L165 HydrophobicContact CD1-CD2 4.19Å; F154-L165 HydrophobicContact CD1-CG 4.22Å; F154-L165 HydrophobicContact CD2-CD1 4.43Å; F154-L165 HydrophobicContact CE1-CD2 4.25Å; F154-L165 HydrophobicContact CE1-CG 3.85Å; F154-L165 HydrophobicContact CE2-CD1 4.19Å; F154-L165 HydrophobicContact CE2-CG 4.27Å; F154-L165 HydrophobicContact CZ-CD1 4.28Å; F154-L165 HydrophobicContact CZ-CG 3.88Å; M157-L165 HydrophobicContact CB-CD1 4.08Å; M157-L165 HydrophobicContact CB-CD2 3.66Å; M157-L165 HydrophobicContact SD-CD1 4.06Å; D158-L165 HydrophobicContact CB-CD2 3.67Å; L165-E169 HydrophobicContact CD2-CB 4.47Å
166T97.4Very high94.4Very high44 Ų4456.7 Ų56.727%0.2733%0.325SS..EExtended strand (participates in β ladder)trans-68.9162.7166.863.60000110.8T118 E168 E169 F170T118-T166 HydrophobicContact CG2-CG2 4.41Å; T166-E168 PolarHBondContact O-N 3.5Å; T166-E169 WeakPolarHBondContact CB-OE2 3.34Å; T166-E169 WeakPolarHBondContact CG2-OE2 3.06Å; T166-E169 PolarHBondContact N-OE2 3.3Å; T166-E169 PolarHBondContact O-N 3.28Å; T166-E169 WeakPolarHBondContact OG1-CG 3.34Å; T166-E169 PolarHBondContact OG1-N 3.17Å; T166-E169 PolarHBondContact OG1-OE2 3.23Å; T166-F170 WeakPolarHBondContact O-CB 3.3Å; T166-F170 PolarHBondContact O-N 2.83Å
167R95.6Very high94.1Very high114 Ų11454.3 Ų54.343%0.4332%0.316SS..Hα-helixtrans-52.4-40172.1-177.6-173.7175.6-75.2-13.2112.6E105 F108 M171E105-R167 IonicContact OE1-NE 2.87Å; E105-R167 IonicContact OE2-CZ 2.75Å; E105-R167 IonicContact OE2-NE 2.75Å; E105-R167 PolarHBondContact OE2-NE 3.48Å; E105-R167 IonicContact OE2-NH2 3.07Å; E105-R167 PolarHBondContact OE2-NH2 3.43Å; F108-R167 HydrophobicContact CD2-CB 4.46Å; F108-R167 HydrophobicContact CE1-CB 4.25Å; F108-R167 VanDerWaalsContact CE2-CA 3.47Å; F108-R167 HydrophobicContact CE2-CB 4.14Å; F108-R167 HydrophobicContact CZ-CB 4.04Å; R167-M171 HydrophobicContact CG-SD 4.2Å; R167-M171 PolarHBondContact NH1-SD 2.98Å; R167-M171 VanDerWaalsContact NH1-SD 3.37Å; R167-M171 PolarHBondContact NH2-SD 3.44Å; R167-M171 WeakPolarHBondContact O-CB 3.41Å; R167-M171 VanDerWaalsContact O-CG 3.22Å; R167-M171 WeakPolarHBondContact O-CG 3.37Å; R167-M171 PolarHBondContact O-N 2.96Å
168E95.7Very high93.6Very high137 Ų13762.1 Ų62.164%0.6435%0.35SS*.Hα-helixtrans-67.6-50.3-179.7-173.4171.2-176.300111T166 F170 M171 D172T166-E168 PolarHBondContact O-N 3.5Å; E168-F170 VanDerWaalsContact C-N 3.29Å; E168-F170 PolarHBondContact O-N 3.38Å; E168-M171 PolarHBondContact O-N 3.28Å; E168-D172 WeakPolarHBondContact O-CB 3.38Å; E168-D172 PolarHBondContact O-N 2.83Å
169E96.5Very high93Very high20 Ų2068.4 Ų68.49%0.09338%0.379CS..Hα-helixtrans-58.7-41175.9-74.4157.8152.800112M157 N160 L165 T166 G173M157-E169 WeakPolarHBondContact O-CB 3.47Å; N160-E169 PolarHBondContact ND2-OE1 3.42Å; L165-E169 HydrophobicContact CD2-CB 4.47Å; T166-E169 WeakPolarHBondContact CB-OE2 3.34Å; T166-E169 WeakPolarHBondContact CG2-OE2 3.06Å; T166-E169 PolarHBondContact N-OE2 3.3Å; T166-E169 PolarHBondContact O-N 3.28Å; T166-E169 WeakPolarHBondContact OG1-CG 3.34Å; T166-E169 PolarHBondContact OG1-N 3.17Å; T166-E169 PolarHBondContact OG1-OE2 3.23Å; E169-G173 PolarHBondContact O-N 3.46Å
170F95.2Very high92.4Very high0 Ų063.6 Ų63.60%035%0.345CS..Hα-helixtrans-62.4-48.9177-174.3-94.4000112L104 A107 F108 Y111 I119 M157 T166 E168 C174 L184L104-F170 HydrophobicContact CD2-CE1 4.25Å; A107-F170 HydrophobicContact CB-CE1 4.23Å; A107-F170 HydrophobicContact CB-CZ 4.24Å; F108-F170 HydrophobicContact CB-CD1 3.96Å; F108-F170 HydrophobicContact CB-CE1 4.16Å; F108-F170 HydrophobicContact CD2-CB 3.64Å; F108-F170 AromaticContact CD2-CD1 3.94Å; F108-F170 HydrophobicContact CD2-CD1 3.94Å; F108-F170 HydrophobicContact CD2-CD2 4.4Å; F108-F170 AromaticContact CD2-CG 3.74Å; F108-F170 HydrophobicContact CD2-CG 3.74Å; F108-F170 HydrophobicContact CE2-CB 4.07Å; F108-F170 HydrophobicContact CG-CD1 4.46Å; Y111-F170 HydrophobicContact CD2-CE2 4.18Å; Y111-F170 HydrophobicContact CD2-CZ 4.08Å; Y111-F170 HydrophobicContact CE2-CZ 4.44Å; I119-F170 HydrophobicContact CD1-CB 4.45Å; I119-F170 HydrophobicContact CD1-CD2 3.48Å; I119-F170 VanDerWaalsContact CD1-CD2 3.48Å; I119-F170 HydrophobicContact CD1-CE2 3.87Å; I119-F170 HydrophobicContact CD1-CG 4.05Å; M157-F170 VanDerWaalsContact CE-CA 3.4Å; M157-F170 HydrophobicContact CE-CB 4.37Å; M157-F170 HydrophobicContact CE-CD2 4.01Å; M157-F170 HydrophobicContact CE-CG 4.28Å; M157-F170 WeakPolarHBondContact CE-O 3.4Å; T166-F170 WeakPolarHBondContact O-CB 3.3Å; T166-F170 PolarHBondContact O-N 2.83Å; E168-F170 VanDerWaalsContact C-N 3.29Å; E168-F170 PolarHBondContact O-N 3.38Å; F170-C174 WeakPolarHBondContact O-CB 3.32Å; F170-C174 PolarHBondContact O-N 2.82Å; F170-C174 VanDerWaalsContact O-N 3.12Å; F170-C174 PolarHBondContact O-SG 3.48Å; F170-L184 HydrophobicContact CE2-CD1 3.8Å; F170-L184 HydrophobicContact CZ-CB 4.46Å; F170-L184 HydrophobicContact CZ-CD1 4.05Å
171M93Very high91.9Very high26 Ų2661.7 Ų61.713%0.12833%0.332CS..Hα-helixtrans-65.3-48.5-179.8-72.2-176.877.600111.5E101 R167 E168 C174 M175E101-M171 HydrophobicContact CB-CE 4.05Å; E101-M171 HydrophobicContact CG-CE 4.34Å; R167-M171 HydrophobicContact CG-SD 4.2Å; R167-M171 PolarHBondContact NH1-SD 2.98Å; R167-M171 VanDerWaalsContact NH1-SD 3.37Å; R167-M171 PolarHBondContact NH2-SD 3.44Å; R167-M171 WeakPolarHBondContact O-CB 3.41Å; R167-M171 VanDerWaalsContact O-CG 3.22Å; R167-M171 WeakPolarHBondContact O-CG 3.37Å; R167-M171 PolarHBondContact O-N 2.96Å; E168-M171 PolarHBondContact O-N 3.28Å; M171-C174 PolarHBondContact O-N 2.98Å; M171-M175 WeakPolarHBondContact O-CB 3.37Å; M171-M175 WeakPolarHBondContact O-CG 3.37Å; M171-M175 PolarHBondContact O-N 3.44Å
172D93.1Very high91.3Very high98 Ų9857.7 Ų57.752%0.52430%0.304SS..Hα-helixtrans-65.2-43-177.4-75.4-7.7000111.3E168 C174 M175 A176E168-D172 WeakPolarHBondContact O-CB 3.38Å; E168-D172 PolarHBondContact O-N 2.83Å; D172-C174 PolarHBondContact O-N 2.96Å; D172-M175 PolarHBondContact O-N 2.94Å; D172-A176 VanDerWaalsContact O-CB 3.23Å; D172-A176 WeakPolarHBondContact O-CB 3.4Å; D172-A176 PolarHBondContact O-N 3.4Å
173G92.2Very high90.4Very high12 Ų1256.5 Ų56.512%0.12430%0.296CS..Hα-helixtrans-61.2-44.2176.300000112.9E169 A176 D177E169-G173 PolarHBondContact O-N 3.46Å; G173-A176 PolarHBondContact O-N 3.06Å; G173-D177 PolarHBondContact O-N 2.73Å; G173-D177 VanDerWaalsContact O-N 3.07Å
174C91.5Very high89.6Confident2 Ų255.5 Ų55.51%0.01428%0.283CS..Hα-helixtrans-67.9-39.4176.8-67.80000111.8L104 F170 M171 D172 A176 D177 Y181 L184L104-C174 HydrophobicContact CD1-CB 3.85Å; L104-C174 HydrophobicContact CD2-CB 3.49Å; L104-C174 VanDerWaalsContact CD2-CB 3.49Å; L104-C174 HydrophobicContact CG-CB 4.33Å; F170-C174 WeakPolarHBondContact O-CB 3.32Å; F170-C174 PolarHBondContact O-N 2.82Å; F170-C174 VanDerWaalsContact O-N 3.12Å; F170-C174 PolarHBondContact O-SG 3.48Å; M171-C174 PolarHBondContact O-N 2.98Å; D172-C174 PolarHBondContact O-N 2.96Å; C174-A176 VanDerWaalsContact C-N 3.33Å; C174-D177 CarbonylContact O-C 3.53Å; C174-D177 VanDerWaalsContact O-O 3.04Å; C174-Y181 HydrophobicContact CB-CD2 4.43Å; C174-Y181 WeakPolarHBondContact O-CB 3.33Å; C174-L184 WeakPolarHBondContact SG-CD1 2.99Å
175M88.1Confident88.6Confident96 Ų9655.4 Ų55.447%0.47328%0.282SS..Hα-helixtrans-72.9-28-179.2-69.1-64.3-72.700112.4P100 L104 M171 D172P100-M175 HydrophobicContact CB-SD 4.35Å; L104-M175 HydrophobicContact CD1-CG 3.72Å; L104-M175 HydrophobicContact CD1-SD 3.63Å; M171-M175 WeakPolarHBondContact O-CB 3.37Å; M171-M175 WeakPolarHBondContact O-CG 3.37Å; M171-M175 PolarHBondContact O-N 3.44Å; D172-M175 PolarHBondContact O-N 2.94Å
176A89.1Confident87.2Confident90 Ų9058.8 Ų58.874%0.74431%0.309SS*.Hα-helixtrans-79.6-31.8175.900000113.1D172 G173 C174D172-A176 VanDerWaalsContact O-CB 3.23Å; D172-A176 WeakPolarHBondContact O-CB 3.4Å; D172-A176 PolarHBondContact O-N 3.4Å; G173-A176 PolarHBondContact O-N 3.06Å; C174-A176 VanDerWaalsContact C-N 3.33Å
177D87Confident85.6Confident40 Ų4059.8 Ų59.821%0.21431%0.313CS..  trans-120.1105.3-177.7-171.2-22.9000111.5K156 G173 C174 Q179 L180 Y181K156-D177 IonicContact NZ-OD2 3.23Å; G173-D177 PolarHBondContact O-N 2.73Å; G173-D177 VanDerWaalsContact O-N 3.07Å; C174-D177 CarbonylContact O-C 3.53Å; C174-D177 VanDerWaalsContact O-O 3.04Å; D177-Q179 PolarHBondContact O-N 2.91Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.35Å; D177-Q179 VanDerWaalsContact OD1-CB 3.29Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.46Å; D177-Q179 PolarHBondContact OD1-N 3.24Å; D177-L180 HydrophobicContact CB-CB 4.01Å; D177-L180 HydrophobicContact CB-CD1 3.9Å; D177-L180 HydrophobicContact CB-CG 3.89Å; D177-L180 PolarHBondContact O-N 3.36Å; D177-L180 VanDerWaalsContact O-N 3.12Å; D177-L180 PolarHBondContact OD1-N 3.49Å; D177-Y181 PolarHBondContact O-N 3.27Å
178K83.8Confident83.3Confident167 Ų16762.5 Ų62.573%0.72633%0.331SS*.Hα-helixtrans-59.9-28.8177.9-69.8-172177.8-173.30113.4S182K178-S182 WeakPolarHBondContact O-CB 3.48Å; K178-S182 PolarHBondContact O-N 2.96Å; K178-S182 PolarHBondContact O-OG 3.05Å
179Q82.3Confident80.5Confident148 Ų14860.7 Ų60.769%0.69233%0.331SS*.Hα-helixtrans-70.5-44.8176.9-62.8-173.5-36.800109.7D177 Y181 S182 M183D177-Q179 PolarHBondContact O-N 2.91Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.35Å; D177-Q179 VanDerWaalsContact OD1-CB 3.29Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.46Å; D177-Q179 PolarHBondContact OD1-N 3.24Å; Q179-Y181 VanDerWaalsContact C-N 3.35Å; Q179-Y181 PolarHBondContact O-N 3.09Å; Q179-S182 PolarHBondContact O-N 2.87Å; Q179-M183 WeakPolarHBondContact O-CB 3.35Å; Q179-M183 PolarHBondContact O-N 2.67Å
180L82.2Confident77.7Confident5 Ų563.9 Ų63.93%0.02636%0.361CS..Hα-helixtrans-60.5-44.3173.1-68.7-177.8000111.5I153 K156 M157 D177 S182 M183 L184I153-L180 HydrophobicContact CG1-CD2 3.93Å; K156-L180 HydrophobicContact CB-CD1 4.16Å; K156-L180 HydrophobicContact CD-CD1 4.03Å; K156-L180 HydrophobicContact CD-CD2 4.49Å; K156-L180 HydrophobicContact CD-CG 4.48Å; M157-L180 HydrophobicContact CG-CD1 3.94Å; M157-L180 HydrophobicContact SD-CD1 4.06Å; D177-L180 HydrophobicContact CB-CB 4.01Å; D177-L180 HydrophobicContact CB-CD1 3.9Å; D177-L180 HydrophobicContact CB-CG 3.89Å; D177-L180 PolarHBondContact O-N 3.36Å; D177-L180 VanDerWaalsContact O-N 3.12Å; D177-L180 PolarHBondContact OD1-N 3.49Å; L180-S182 PolarHBondContact O-N 3.26Å; L180-M183 PolarHBondContact O-N 3Å; L180-L184 HydrophobicContact CB-CD1 4.45Å; L180-L184 VanDerWaalsContact O-CB 3.31Å; L180-L184 WeakPolarHBondContact O-CB 3.32Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.32Å; L180-L184 PolarHBondContact O-N 2.92Å
181Y84.4Confident74.7Confident42 Ų4276.6 Ų76.617%0.16542%0.42CS..Hα-helixtrans-55.5-53.5176.1-177.3-88.4000112.3P100 L104 C174 D177 Q179 M183 L185P100-Y181 HydrophobicContact CB-CE2 4.04Å; L104-Y181 HydrophobicContact CD1-CD2 4.09Å; L104-Y181 HydrophobicContact CD1-CE2 4.03Å; L104-Y181 HydrophobicContact CD2-CD2 3.85Å; L104-Y181 HydrophobicContact CD2-CE2 3.98Å; L104-Y181 HydrophobicContact CG-CD2 4.16Å; L104-Y181 HydrophobicContact CG-CE2 3.89Å; C174-Y181 HydrophobicContact CB-CD2 4.43Å; C174-Y181 WeakPolarHBondContact O-CB 3.33Å; D177-Y181 PolarHBondContact O-N 3.27Å; Q179-Y181 VanDerWaalsContact C-N 3.35Å; Q179-Y181 PolarHBondContact O-N 3.09Å; Y181-M183 VanDerWaalsContact C-N 3.32Å; Y181-M183 PolarHBondContact O-N 3.07Å; Y181-L185 HydrophobicContact CD1-CD1 4.02Å; Y181-L185 HydrophobicContact CD2-CD1 3.96Å; Y181-L185 HydrophobicContact CE1-CD1 3.51Å; Y181-L185 HydrophobicContact CE2-CD1 3.44Å; Y181-L185 VanDerWaalsContact CE2-CD1 3.44Å; Y181-L185 HydrophobicContact CG-CD1 4.21Å; Y181-L185 WeakPolarHBondContact O-CB 3.25Å; Y181-L185 WeakPolarHBondContact O-CG 3.18Å; Y181-L185 PolarHBondContact O-N 2.81Å; Y181-L185 VanDerWaalsContact O-N 3.11Å; Y181-L185 WeakPolarHBondContact OH-CD1 3.35Å
182S82.8Confident73.8Confident18 Ų1879.2 Ų79.213%0.12644%0.435CS..Hα-helixtrans-65.6-41.5-176.4-500000110.4K178 Q179 L180 A186 D187K178-S182 WeakPolarHBondContact O-CB 3.48Å; K178-S182 PolarHBondContact O-N 2.96Å; K178-S182 PolarHBondContact O-OG 3.05Å; Q179-S182 PolarHBondContact O-N 2.87Å; L180-S182 PolarHBondContact O-N 3.26Å; S182-A186 WeakPolarHBondContact O-CA 3.29Å; S182-A186 PolarHBondContact O-N 3.33Å; S182-A186 VanDerWaalsContact O-N 3.08Å; S182-D187 PolarHBondContact O-N 3.2Å; S182-D187 VanDerWaalsContact O-N 3.08Å
183M77.3Confident72.8Confident65 Ų6578.2 Ų78.232%0.3243%0.43SS..Hα-helixtrans-63.7-50.4179.2-179.8-180168.600112.5R149 I153 Q179 L180 Y181 L185 A186R149-M183 HydrophobicContact CG-CE 3.26Å; R149-M183 HydrophobicContact CG-SD 4.42Å; I153-M183 HydrophobicContact CD1-CE 4.28Å; Q179-M183 WeakPolarHBondContact O-CB 3.35Å; Q179-M183 PolarHBondContact O-N 2.67Å; L180-M183 PolarHBondContact O-N 3Å; Y181-M183 VanDerWaalsContact C-N 3.32Å; Y181-M183 PolarHBondContact O-N 3.07Å; M183-L185 VanDerWaalsContact C-N 3.35Å; M183-A186 PolarHBondContact O-N 2.92Å
184L78.3Confident71.7Confident9 Ų981.8 Ų81.85%0.04745%0.447CS..Hα-helixtrans-75.2-24.5-174.3-67.5170.2000112.9Y111 I153 M157 F170 C174 L180Y111-L184 HydrophobicContact CE1-CD2 4.09Å; Y111-L184 HydrophobicContact CE2-CB 4.3Å; Y111-L184 HydrophobicContact CE2-CD2 3.93Å; Y111-L184 VanDerWaalsContact CZ-CD2 3.49Å; Y111-L184 VanDerWaalsContact OH-CD2 3.22Å; Y111-L184 WeakPolarHBondContact OH-CD2 3.32Å; I153-L184 HydrophobicContact CD1-CD2 4.19Å; M157-L184 HydrophobicContact SD-CD1 4.41Å; F170-L184 HydrophobicContact CE2-CD1 3.8Å; F170-L184 HydrophobicContact CZ-CB 4.46Å; F170-L184 HydrophobicContact CZ-CD1 4.05Å; C174-L184 WeakPolarHBondContact SG-CD1 2.99Å; L180-L184 HydrophobicContact CB-CD1 4.45Å; L180-L184 VanDerWaalsContact O-CB 3.31Å; L180-L184 WeakPolarHBondContact O-CB 3.32Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.32Å; L180-L184 PolarHBondContact O-N 2.92Å
185L77.8Confident70.6Confident30 Ų3086.5 Ų86.516%0.15747%0.473CS..Hα-helixtrans-91-5.6173.7-66.8179.6000113.9K103 L104 A107 Y181 M183 D187K103-L185 HydrophobicContact CB-CD1 3.96Å; K103-L185 HydrophobicContact CB-CD2 4.1Å; K103-L185 HydrophobicContact CD-CD1 4.29Å; L104-L185 HydrophobicContact CD2-CD1 4.09Å; L104-L185 HydrophobicContact CD2-CD2 4.33Å; L104-L185 HydrophobicContact CD2-CG 4.22Å; A107-L185 HydrophobicContact CB-CD2 3.51Å; Y181-L185 HydrophobicContact CD1-CD1 4.02Å; Y181-L185 HydrophobicContact CD2-CD1 3.96Å; Y181-L185 HydrophobicContact CE1-CD1 3.51Å; Y181-L185 HydrophobicContact CE2-CD1 3.44Å; Y181-L185 VanDerWaalsContact CE2-CD1 3.44Å; Y181-L185 HydrophobicContact CG-CD1 4.21Å; Y181-L185 WeakPolarHBondContact O-CB 3.25Å; Y181-L185 WeakPolarHBondContact O-CG 3.18Å; Y181-L185 PolarHBondContact O-N 2.81Å; Y181-L185 VanDerWaalsContact O-N 3.11Å; Y181-L185 WeakPolarHBondContact OH-CD1 3.35Å; M183-L185 VanDerWaalsContact C-N 3.35Å; L185-D187 HydrophobicContact CB-CB 4.15Å; L185-D187 PolarHBondContact O-N 3.04Å; L185-D187 VanDerWaalsContact O-N 3.14Å
186A68.4Low69.5Low71 Ų7185.9 Ų85.959%0.58747%0.473SS*.THydrogen-bonded Turntrans47.634.5-167.200000112.2S182 M183S182-A186 WeakPolarHBondContact O-CA 3.29Å; S182-A186 PolarHBondContact O-N 3.33Å; S182-A186 VanDerWaalsContact O-N 3.08Å; M183-A186 PolarHBondContact O-N 2.92Å
187D63.8Low68.2Low66 Ų6685.7 Ų85.735%0.35346%0.455SS..PPolyproline II helixtrans-89.6145.3176.2-145.2-14.7000107.6K103 S182 L185K103-D187 IonicContact NZ-OD2 3.19Å; K103-D187 PolarHBondContact NZ-OD2 2.98Å; S182-D187 PolarHBondContact O-N 3.2Å; S182-D187 VanDerWaalsContact O-N 3.08Å; L185-D187 HydrophobicContact CB-CB 4.15Å; L185-D187 PolarHBondContact O-N 3.04Å; L185-D187 VanDerWaalsContact O-N 3.14Å
188E46Very low66.8Low171 Ų17188.9 Ų88.980%0.79947%0.472SS*.PPolyproline II helixtrans-61.8134.8173.5-75-172.7164.600108.5A190E188-A190 PolarHBondContact O-N 3.26Å
189P38.2Very low65.5Low98 Ų9882.9 Ų82.964%0.63645%0.453SS*.PPolyproline II helixtrans-58.2119.2174.122.7-30.4000108.3E191P189-E191 PolarHBondContact O-N 3.47Å; P189-E191 VanDerWaalsContact O-N 3.17Å
190A36.4Very low64.1Low88 Ų8877.5 Ų77.573%0.72743%0.433SS*.PPolyproline II helixtrans-62.2119.2171.600000108.4E188E188-A190 PolarHBondContact O-N 3.26Å
191E33.7Very low62.5Low267 Ų26784.1 Ų84.1100%1.24847%0.47SS*.  trans-47.40175.1-65.5-175.5166.900113.4P189P189-E191 PolarHBondContact O-N 3.47Å; P189-E191 VanDerWaalsContact O-N 3.17Å

Retrieved 191 of 191 residues in 154.5 ms (Link to these results)

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