A0A077ZHM8_TRITR Loading...

Glycos transf 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHM8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 366 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
1M36.6Very low36Very low247 Ų247148.3 Ų148.3100%1.21775%0.751SS**  078.90-67.3176.1-157.300108.4
2S40.3Very low36.1Very low90 Ų90151.1 Ų151.163%0.62975%0.754SS**  trans-107.1130.9-172.945.70000109.8W4S2-W4 PolarHBondContact O-N 3.07Å
3A37.8Very low37.1Very low97 Ų97151.1 Ų151.180%0.80276%0.756SS**SBendtrans29.6-13.9156.900000123.9
4W36.6Very low38.1Very low216 Ų216146.4 Ų146.482%0.81873%0.729SS**  trans-92.8-14.5-173-7392.4000114.3S2 R6S2-W4 PolarHBondContact O-N 3.07Å; W4-R6 VanDerWaalsContact C-N 3.26Å; W4-R6 PolarHBondContact O-N 3.17Å
5T36.4Very low39.4Very low121 Ų121141.3 Ų141.374%0.74271%0.71SS**THydrogen-bonded Turntrans-78.34.9-178.933.90000115.3
6R31.8Very low40.9Very low241 Ų241137.1 Ų137.191%0.90970%0.698SS**THydrogen-bonded Turntrans-111.614.9-179-69.2-170-167.8-177.73.9115.7W4W4-R6 VanDerWaalsContact C-N 3.26Å; W4-R6 PolarHBondContact O-N 3.17Å
7S36.5Very low42.3Very low78 Ų78136.4 Ų136.455%0.54569%0.691SS.*  trans-117.88.2179.971.70000115.8E9S7-E9 VanDerWaalsContact C-N 3.34Å; S7-E9 PolarHBondContact O-N 3.36Å
8S36.4Very low44.2Very low73 Ų73132.2 Ų132.251%0.5167%0.668SS.*THydrogen-bonded Turntrans-81.83.2-171.556.50000116.1H10S8-H10 PolarHBondContact O-N 3.45Å
9E33.6Very low46.1Very low181 Ų181126 Ų12685%0.84664%0.637SS**THydrogen-bonded Turntrans-88.87.1-175.4-72.4-172.3148.200115.3S7S7-E9 VanDerWaalsContact C-N 3.34Å; S7-E9 PolarHBondContact O-N 3.36Å
10H33.8Very low47.9Very low164 Ų164123.6 Ų123.676%0.75963%0.625SS**  trans-125.824.7-168.6-78.5-53.2000118S8S8-H10 PolarHBondContact O-N 3.45Å
11Y35.9Very low49.5Very low123 Ų123125.7 Ų125.748%0.48263%0.625SS.*  trans-107.580.2171.6-66.2-81.5000111.3
12K37.5Very low51.8Low182 Ų182116.1 Ų116.179%0.79158%0.581SS**  trans-61.9138.8163.9-75.7-179.4176.8178.60108.8F14K12-F14 PolarHBondContact O-N 2.86Å
13I49.3Very low54Low151 Ų151117 Ų11777%0.77458%0.575SS**  trans-55.9104.2169.4-60.3170000107.2P15I13-P15 WeakPolarHBondContact O-CD 3.32Å
14F51.6Low56.4Low85 Ų85116.1 Ų116.137%0.37356%0.557SS.*  trans-69.6124.7173-74-74.5000107.5K12 F18 L19K12-F14 PolarHBondContact O-N 2.86Å; F14-F18 HydrophobicContact CB-CB 4.21Å; F14-F18 HydrophobicContact CB-CD1 3.79Å; F14-F18 HydrophobicContact CB-CG 4.31Å; F14-F18 HydrophobicContact CD1-CB 4.29Å; F14-F18 AromaticContact CD1-CD1 3.17Å; F14-F18 HydrophobicContact CD1-CD1 3.17Å; F14-F18 HydrophobicContact CD1-CD2 4.27Å; F14-F18 AromaticContact CD1-CE1 3.41Å; F14-F18 HydrophobicContact CD1-CE1 3.41Å; F14-F18 VanDerWaalsContact CD1-CE1 3.41Å; F14-F18 HydrophobicContact CD1-CE2 4.45Å; F14-F18 AromaticContact CD1-CG 3.65Å; F14-F18 HydrophobicContact CD1-CG 3.65Å; F14-F18 HydrophobicContact CD1-CZ 4.06Å; F14-F18 HydrophobicContact CD2-CD1 4.33Å; F14-F18 HydrophobicContact CD2-CE1 4.39Å; F14-F18 AromaticContact CE1-CD1 3.77Å; F14-F18 HydrophobicContact CE1-CD1 3.77Å; F14-F18 AromaticContact CE1-CE1 3.46Å; F14-F18 HydrophobicContact CE1-CE1 3.46Å; F14-F18 VanDerWaalsContact CE1-CE1 3.46Å; F14-F18 HydrophobicContact CE1-CE2 4.38Å; F14-F18 HydrophobicContact CE1-CG 4.35Å; F14-F18 AromaticContact CE1-CZ 3.8Å; F14-F18 HydrophobicContact CE1-CZ 3.8Å; F14-F18 HydrophobicContact CE2-CE1 4.43Å; F14-F18 AromaticContact CG-CD1 3.5Å; F14-F18 HydrophobicContact CG-CD1 3.5Å; F14-F18 AromaticContact CG-CE1 3.9Å; F14-F18 HydrophobicContact CG-CE1 3.9Å; F14-F18 HydrophobicContact CG-CG 4.24Å; F14-F18 HydrophobicContact CZ-CE1 4Å; F14-F18 HydrophobicContact CZ-CZ 4.47Å; F14-L19 HydrophobicContact CB-CD2 4.16Å; F14-L19 HydrophobicContact CB-CG 4.27Å
15P57.8Low58.8Low70 Ų70111.4 Ų111.446%0.45554%0.544SS..  trans-58.6144.7173.62.42000109.1I13 H17 F18I13-P15 WeakPolarHBondContact O-CD 3.32Å; P15-H17 WeakPolarHBondContact CB-ND1 3.44Å; P15-H17 VanDerWaalsContact CG-CE1 3.44Å; P15-H17 WeakPolarHBondContact CG-CE1 3.17Å; P15-H17 PolarHBondContact O-N 2.96Å; P15-F18 WeakPolarHBondContact O-CB 3.4Å; P15-F18 PolarHBondContact O-N 2.75Å
16S62.6Low61.3Low74 Ų74111.1 Ų111.152%0.51754%0.537SS..Hα-helixtrans-49.4-34.1-171.755.60000113.8F18 L19 L20S16-F18 PolarHBondContact O-N 3.3Å; S16-L19 PolarHBondContact O-N 3.28Å; S16-L20 WeakPolarHBondContact O-CG 3.31Å; S16-L20 PolarHBondContact O-N 3.05Å
17H65.5Low64.1Low126 Ų126101 Ų10158%0.58350%0.501SS*.Hα-helixtrans-58.7-30.9176.175.7-102.5000113.8P15 R21P15-H17 WeakPolarHBondContact CB-ND1 3.44Å; P15-H17 VanDerWaalsContact CG-CE1 3.44Å; P15-H17 WeakPolarHBondContact CG-CE1 3.17Å; P15-H17 PolarHBondContact O-N 2.96Å; H17-R21 WeakPolarHBondContact O-CB 3.31Å; H17-R21 PolarHBondContact O-N 3.34Å
18F75.8Confident66.5Low61 Ų61101.7 Ų101.727%0.26849%0.494SS..Hα-helixtrans-75.1-40.9179.8-179.6-91.4000111.7F14 P15 S16 L20 R21F14-F18 HydrophobicContact CB-CB 4.21Å; F14-F18 HydrophobicContact CB-CD1 3.79Å; F14-F18 HydrophobicContact CB-CG 4.31Å; F14-F18 HydrophobicContact CD1-CB 4.29Å; F14-F18 AromaticContact CD1-CD1 3.17Å; F14-F18 HydrophobicContact CD1-CD1 3.17Å; F14-F18 HydrophobicContact CD1-CD2 4.27Å; F14-F18 AromaticContact CD1-CE1 3.41Å; F14-F18 HydrophobicContact CD1-CE1 3.41Å; F14-F18 VanDerWaalsContact CD1-CE1 3.41Å; F14-F18 HydrophobicContact CD1-CE2 4.45Å; F14-F18 AromaticContact CD1-CG 3.65Å; F14-F18 HydrophobicContact CD1-CG 3.65Å; F14-F18 HydrophobicContact CD1-CZ 4.06Å; F14-F18 HydrophobicContact CD2-CD1 4.33Å; F14-F18 HydrophobicContact CD2-CE1 4.39Å; F14-F18 AromaticContact CE1-CD1 3.77Å; F14-F18 HydrophobicContact CE1-CD1 3.77Å; F14-F18 AromaticContact CE1-CE1 3.46Å; F14-F18 HydrophobicContact CE1-CE1 3.46Å; F14-F18 VanDerWaalsContact CE1-CE1 3.46Å; F14-F18 HydrophobicContact CE1-CE2 4.38Å; F14-F18 HydrophobicContact CE1-CG 4.35Å; F14-F18 AromaticContact CE1-CZ 3.8Å; F14-F18 HydrophobicContact CE1-CZ 3.8Å; F14-F18 HydrophobicContact CE2-CE1 4.43Å; F14-F18 AromaticContact CG-CD1 3.5Å; F14-F18 HydrophobicContact CG-CD1 3.5Å; F14-F18 AromaticContact CG-CE1 3.9Å; F14-F18 HydrophobicContact CG-CE1 3.9Å; F14-F18 HydrophobicContact CG-CG 4.24Å; F14-F18 HydrophobicContact CZ-CE1 4Å; F14-F18 HydrophobicContact CZ-CZ 4.47Å; P15-F18 WeakPolarHBondContact O-CB 3.4Å; P15-F18 PolarHBondContact O-N 2.75Å; S16-F18 PolarHBondContact O-N 3.3Å; F18-L20 VanDerWaalsContact C-N 3.3Å; F18-L20 PolarHBondContact O-N 3.24Å; F18-R21 PolarHBondContact O-N 2.99Å
19L80Confident68.9Low14 Ų14103.3 Ų103.37%0.07349%0.492CS..Hα-helixtrans-62.7-40.7178.7-64.4175.9000111.2F14 S16 V44 K47 L48F14-L19 HydrophobicContact CB-CD2 4.16Å; F14-L19 HydrophobicContact CB-CG 4.27Å; S16-L19 PolarHBondContact O-N 3.28Å; L19-V44 HydrophobicContact CB-CG1 4.36Å; L19-K47 HydrophobicContact CD2-CB 3.69Å; L19-L48 HydrophobicContact CD1-CD2 3.51Å; L19-L48 HydrophobicContact CD1-CG 4.05Å; L19-L48 HydrophobicContact CD2-CD2 4.23Å; L19-L48 HydrophobicContact CD2-CG 4.31Å
20L81.8Confident71.4Confident77 Ų77100.6 Ų100.640%0.40347%0.474SS..Hα-helixtrans-77.9-18.2-178.2-61.7173.9000113.8S16 F18 V22 V44 T188S16-L20 WeakPolarHBondContact O-CG 3.31Å; S16-L20 PolarHBondContact O-N 3.05Å; F18-L20 VanDerWaalsContact C-N 3.3Å; F18-L20 PolarHBondContact O-N 3.24Å; L20-V22 PolarHBondContact O-N 3.16Å; L20-V44 HydrophobicContact CD2-CG2 3.84Å; L20-T188 HydrophobicContact CD1-CG2 4.35Å; L20-T188 HydrophobicContact CD2-CG2 4.02Å
21R83.1Confident73.9Confident168 Ų16897.2 Ų97.263%0.63445%0.454SS*.  trans-74.6120.5-175.6-175.6176-178.6-178.41.1110.9H17 F18 K47H17-R21 WeakPolarHBondContact O-CB 3.31Å; H17-R21 PolarHBondContact O-N 3.34Å; F18-R21 PolarHBondContact O-N 2.99Å; R21-K47 PolarHBondContact O-NZ 3.42Å
22V83.4Confident76.2Confident47 Ų4795.7 Ų95.729%0.28546%0.455SS..  trans-83120.5168.7-179.20000109L20 N24 E27 F28 L43L20-V22 PolarHBondContact O-N 3.16Å; V22-N24 WeakPolarHBondContact CG1-O 3.15Å; V22-E27 HydrophobicContact CG1-CB 3.84Å; V22-F28 HydrophobicContact CG1-CB 3.88Å; V22-L43 HydrophobicContact CG2-CD2 3.91Å
23Q86.1Confident78.3Confident108 Ų10894.2 Ų94.251%0.50544%0.444SS..  trans-93-26.5-173.8-63.3-175.9-1300113.5E27Q23-E27 WeakPolarHBondContact CB-OE2 3.14Å; Q23-E27 PolarHBondContact N-OE2 3.3Å
24N88.9Confident79.8Confident78 Ų7887 Ų8742%0.41741%0.407SS..SBendtrans-157174.3-176.260.659.7000111.9V22 N26 E27 F28V22-N24 WeakPolarHBondContact CG1-O 3.15Å; N24-N26 VanDerWaalsContact C-N 3.29Å; N24-N26 PolarHBondContact O-N 2.96Å; N24-N26 WeakPolarHBondContact OD1-CA 3.46Å; N24-N26 WeakPolarHBondContact OD1-CB 3.31Å; N24-N26 PolarHBondContact OD1-N 3.05Å; N24-E27 PolarHBondContact O-N 3.1Å; N24-E27 PolarHBondContact OD1-N 3.35Å; N24-F28 PolarHBondContact O-N 3.43Å
25H88.2Confident81.2Confident118 Ų11885.4 Ų85.455%0.54641%0.406SS..Hα-helixtrans-63.4-29.9-178.1-172.669.6000113.8F28 K29H25-F28 PolarHBondContact O-N 3.45Å; H25-K29 WeakPolarHBondContact NE2-CE 3.39Å; H25-K29 PolarHBondContact NE2-NZ 2.85Å; H25-K29 PolarHBondContact O-N 3.33Å
26N88.8Confident82.3Confident114 Ų11485.7 Ų85.761%0.6141%0.407SS*.Hα-helixtrans-70-41175.6-71.4-20.9000111.3N24 F28 K29 R30N24-N26 VanDerWaalsContact C-N 3.29Å; N24-N26 PolarHBondContact O-N 2.96Å; N24-N26 WeakPolarHBondContact OD1-CA 3.46Å; N24-N26 WeakPolarHBondContact OD1-CB 3.31Å; N24-N26 PolarHBondContact OD1-N 3.05Å; N26-F28 VanDerWaalsContact C-N 3.33Å; N26-K29 PolarHBondContact O-N 3.19Å; N26-R30 WeakPolarHBondContact O-CG 3.26Å; N26-R30 PolarHBondContact O-N 3.38Å
27E89.6Confident83.4Confident29 Ų2987.4 Ų87.414%0.13641%0.407CS..Hα-helixtrans-62.6-40.5173-71.6-160.8162.500111.7V22 Q23 N24 K29 R30 R31 L43 K47V22-E27 HydrophobicContact CG1-CB 3.84Å; Q23-E27 WeakPolarHBondContact CB-OE2 3.14Å; Q23-E27 PolarHBondContact N-OE2 3.3Å; N24-E27 PolarHBondContact O-N 3.1Å; N24-E27 PolarHBondContact OD1-N 3.35Å; E27-K29 PolarHBondContact O-N 2.9Å; E27-R30 PolarHBondContact O-N 2.66Å; E27-R31 PolarHBondContact O-N 2.95Å; E27-L43 HydrophobicContact CB-CD1 3.85Å; E27-L43 HydrophobicContact CB-CD2 3.81Å; E27-L43 HydrophobicContact CG-CD1 3.79Å; E27-L43 HydrophobicContact CG-CD2 4.45Å; E27-K47 VanDerWaalsContact CD-NZ 3.31Å; E27-K47 WeakPolarHBondContact OE1-CE 3.24Å; E27-K47 IonicContact OE1-NZ 2.63Å; E27-K47 PolarHBondContact OE1-NZ 3.09Å; E27-K47 VanDerWaalsContact OE1-NZ 3.17Å; E27-K47 IonicContact OE2-NZ 2.9Å; E27-K47 PolarHBondContact OE2-NZ 3.09Å
28F87.2Confident84.5Confident93 Ų9382.6 Ų82.641%0.40838%0.384SS..Hα-helixtrans-58.1-48.9174.1-178.1-93.6000111.5V22 N24 H25 N26 R30 R31 D32V22-F28 HydrophobicContact CG1-CB 3.88Å; N24-F28 PolarHBondContact O-N 3.43Å; H25-F28 PolarHBondContact O-N 3.45Å; N26-F28 VanDerWaalsContact C-N 3.33Å; F28-R30 VanDerWaalsContact C-N 3.32Å; F28-R30 PolarHBondContact O-N 3.45Å; F28-R31 PolarHBondContact O-N 3.3Å; F28-D32 WeakPolarHBondContact O-CB 3.32Å; F28-D32 PolarHBondContact O-N 3.24Å
29K87.2Confident85.2Confident106 Ų10679.9 Ų79.946%0.46137%0.374SS..Hα-helixtrans-61.1-37.1176.2-77.6178.6169.3161.70112.9H25 N26 E27 R33H25-K29 WeakPolarHBondContact NE2-CE 3.39Å; H25-K29 PolarHBondContact NE2-NZ 2.85Å; H25-K29 PolarHBondContact O-N 3.33Å; N26-K29 PolarHBondContact O-N 3.19Å; E27-K29 PolarHBondContact O-N 2.9Å; K29-R33 WeakPolarHBondContact O-CB 3.36Å; K29-R33 PolarHBondContact O-N 3.08Å
30R84.8Confident85.8Confident125 Ų12579.4 Ų79.447%0.47237%0.371SS..Hα-helixtrans-66.6-43.7176-74.6-179.284.7166.59.6111.4N26 E27 F28 G34 L43 D46N26-R30 WeakPolarHBondContact O-CG 3.26Å; N26-R30 PolarHBondContact O-N 3.38Å; E27-R30 PolarHBondContact O-N 2.66Å; F28-R30 VanDerWaalsContact C-N 3.32Å; F28-R30 PolarHBondContact O-N 3.45Å; R30-G34 PolarHBondContact O-N 3.19Å; R30-L43 HydrophobicContact CB-CD1 4.47Å; R30-D46 IonicContact CZ-OD2 3.35Å; R30-D46 IonicContact NE-OD2 2.83Å; R30-D46 PolarHBondContact NE-OD2 3.01Å; R30-D46 IonicContact NH2-OD2 3.51Å; R30-D46 PolarHBondContact NH2-OD2 2.84Å
31R86.2Confident86.3Confident93 Ų9376.6 Ų76.635%0.35136%0.356SS..Hα-helixtrans-59.4-53175.1-173.3177.478.6162.47.6111.2E27 F28 R33 G34 S35 D41 L43E27-R31 PolarHBondContact O-N 2.95Å; F28-R31 PolarHBondContact O-N 3.3Å; R31-R33 PolarHBondContact O-N 3.19Å; R31-G34 WeakPolarHBondContact O-CA 3.39Å; R31-G34 PolarHBondContact O-N 3.37Å; R31-G34 VanDerWaalsContact O-N 3.09Å; R31-S35 PolarHBondContact O-N 2.98Å; R31-S35 PolarHBondContact O-OG 3.48Å; R31-D41 VanDerWaalsContact CD-OD2 3.26Å; R31-D41 WeakPolarHBondContact CD-OD2 3.38Å; R31-D41 WeakPolarHBondContact CG-OD2 3.38Å; R31-L43 HydrophobicContact CB-CB 4Å; R31-L43 HydrophobicContact CB-CD2 4.29Å
32D84.6Confident86.7Confident91 Ų9169.6 Ų69.649%0.48733%0.331SS..Hα-helixtrans-60.2-45.3-179-176.466.2000112.6F28 G34 S35 T36F28-D32 WeakPolarHBondContact O-CB 3.32Å; F28-D32 PolarHBondContact O-N 3.24Å; D32-G34 VanDerWaalsContact C-N 3.31Å; D32-G34 PolarHBondContact O-N 3.26Å; D32-S35 PolarHBondContact O-N 3.37Å; D32-T36 WeakPolarHBondContact O-CB 3.09Å; D32-T36 PolarHBondContact O-N 3.06Å; D32-T36 PolarHBondContact O-OG1 3.34Å
33R81.9Confident87.1Confident150 Ų15067.5 Ų67.557%0.56632%0.319SS*.Hα-helixtrans-60.3-43.3172.9-173.7-173.1-59.4-173.3-0.8111.3K29 R31 T36 H37K29-R33 WeakPolarHBondContact O-CB 3.36Å; K29-R33 PolarHBondContact O-N 3.08Å; R31-R33 PolarHBondContact O-N 3.19Å; R33-T36 PolarHBondContact O-N 2.78Å; R33-H37 WeakPolarHBondContact CG-ND1 3.24Å; R33-H37 WeakPolarHBondContact O-CB 3.14Å; R33-H37 PolarHBondContact O-N 3.38Å; R33-H37 PolarHBondContact O-ND1 3.39Å
34G81.1Confident87.4Confident0 Ų062.4 Ų62.40%030%0.295CS..Hα-helixtrans-59.3-53.2179.300000112.5R30 R31 D32 T36 H37 H38 G39 F40 L42R30-G34 PolarHBondContact O-N 3.19Å; R31-G34 WeakPolarHBondContact O-CA 3.39Å; R31-G34 PolarHBondContact O-N 3.37Å; R31-G34 VanDerWaalsContact O-N 3.09Å; D32-G34 VanDerWaalsContact C-N 3.31Å; D32-G34 PolarHBondContact O-N 3.26Å; G34-T36 PolarHBondContact O-N 2.8Å; G34-H37 PolarHBondContact O-N 3.49Å; G34-H38 WeakPolarHBondContact O-CA 3.38Å; G34-H38 WeakPolarHBondContact O-CB 3.28Å; G34-H38 PolarHBondContact O-N 3.05Å; G34-G39 PolarHBondContact O-N 3.03Å; G34-F40 CarbonylContact C-O 3.49Å; G34-L42 VanDerWaalsContact CA-CB 3.4Å
35S80.2Confident87.6Confident51 Ų5158.7 Ų58.736%0.35728%0.275SS..Hα-helixtrans-53.6-47.6175.1-61.40000110.1R31 D32 G39 F40 Y290R31-S35 PolarHBondContact O-N 2.98Å; R31-S35 PolarHBondContact O-OG 3.48Å; D32-S35 PolarHBondContact O-N 3.37Å; S35-G39 WeakPolarHBondContact O-CA 3.45Å; S35-G39 PolarHBondContact O-N 3.39Å; S35-G39 VanDerWaalsContact O-N 3.11Å; S35-F40 WeakPolarHBondContact CA-O 3.38Å; S35-F40 PolarHBondContact N-O 2.88Å; S35-F40 VanDerWaalsContact N-O 3.17Å; S35-Y290 WeakPolarHBondContact O-CE1 3.23Å; S35-Y290 VanDerWaalsContact O-CZ 3.3Å; S35-Y290 PolarHBondContact O-OH 3.45Å
36T82.1Confident87.8Confident77 Ų7755 Ų5547%0.47226%0.259SS..Hα-helixtrans-68.4-39.8-177.6-560000114.7D32 R33 G34 Y290D32-T36 WeakPolarHBondContact O-CB 3.09Å; D32-T36 PolarHBondContact O-N 3.06Å; D32-T36 PolarHBondContact O-OG1 3.34Å; R33-T36 PolarHBondContact O-N 2.78Å; G34-T36 PolarHBondContact O-N 2.8Å; T36-Y290 WeakPolarHBondContact CA-OH 3.41Å; T36-Y290 PolarHBondContact O-OH 3.06Å
37H85.2Confident87.9Confident110 Ų11051.2 Ų51.251%0.50924%0.237SC..Hα-helixtrans-102.2-16.7-170.4-67.174.5000114.1R33 G34 P292R33-H37 WeakPolarHBondContact CG-ND1 3.24Å; R33-H37 WeakPolarHBondContact O-CB 3.14Å; R33-H37 PolarHBondContact O-N 3.38Å; R33-H37 PolarHBondContact O-ND1 3.39Å; G34-H37 PolarHBondContact O-N 3.49Å; H37-P292 WeakPolarHBondContact O-CB 3.5Å
38H88.7Confident88Confident25 Ų2551.1 Ų51.112%0.11624%0.238CC..Hα-helixtrans-126.3-16-176.3-56.6-63.6000113.4G34 F40 N84 R288G34-H38 WeakPolarHBondContact O-CA 3.38Å; G34-H38 WeakPolarHBondContact O-CB 3.28Å; G34-H38 PolarHBondContact O-N 3.05Å; H38-F40 VanDerWaalsContact C-N 3.3Å; H38-F40 HydrophobicContact CB-CD1 3.99Å; H38-F40 HydrophobicContact CB-CD2 4.11Å; H38-F40 HydrophobicContact CB-CE1 3.61Å; H38-F40 HydrophobicContact CB-CE2 3.72Å; H38-F40 HydrophobicContact CB-CG 4.23Å; H38-F40 HydrophobicContact CB-CZ 3.46Å; H38-F40 VanDerWaalsContact CB-CZ 3.46Å; H38-F40 WeakPolarHBondContact O-CD1 3.5Å; H38-N84 PolarHBondContact CE1-O 2.94Å; H38-N84 PolarHBondContact ND1-O 3.27Å; H38-R288 VanDerWaalsContact O-CD 3.32Å; H38-R288 WeakPolarHBondContact O-CD 3.46Å; H38-R288 PolarHBondContact O-NH1 3.38Å
39G90.4Very high88.2Confident4 Ų447.2 Ų47.24%0.04122%0.223CC..SBendtrans7616.8-178.300000114G34 S35 A289G34-G39 PolarHBondContact O-N 3.03Å; S35-G39 WeakPolarHBondContact O-CA 3.45Å; S35-G39 PolarHBondContact O-N 3.39Å; S35-G39 VanDerWaalsContact O-N 3.11Å; G39-A289 PolarHBondContact O-N 3.32Å
40F92.2Very high88.4Confident4 Ų444.2 Ų44.22%0.01822%0.215CC..SBendtrans-150.3167.5176.256.3-109.8000111.1G34 S35 H38 L42 A86 V89 P186 F189 V286 R288G34-F40 CarbonylContact C-O 3.49Å; S35-F40 WeakPolarHBondContact CA-O 3.38Å; S35-F40 PolarHBondContact N-O 2.88Å; S35-F40 VanDerWaalsContact N-O 3.17Å; H38-F40 VanDerWaalsContact C-N 3.3Å; H38-F40 HydrophobicContact CB-CD1 3.99Å; H38-F40 HydrophobicContact CB-CD2 4.11Å; H38-F40 HydrophobicContact CB-CE1 3.61Å; H38-F40 HydrophobicContact CB-CE2 3.72Å; H38-F40 HydrophobicContact CB-CG 4.23Å; H38-F40 HydrophobicContact CB-CZ 3.46Å; H38-F40 VanDerWaalsContact CB-CZ 3.46Å; H38-F40 WeakPolarHBondContact O-CD1 3.5Å; F40-L42 PolarHBondContact O-N 3.44Å; F40-L42 VanDerWaalsContact O-N 3.08Å; F40-A86 HydrophobicContact CE2-CB 3.83Å; F40-A86 HydrophobicContact CZ-CB 3.62Å; F40-V89 HydrophobicContact CE2-CG2 3.83Å; F40-V89 HydrophobicContact CZ-CG2 3.73Å; F40-P186 CarbonylContact C-O 3.59Å; F40-P186 VanDerWaalsContact CA-O 3.22Å; F40-P186 WeakPolarHBondContact CA-O 3.16Å; F40-P186 HydrophobicContact CB-CB 3.79Å; F40-P186 VanDerWaalsContact CB-O 3.23Å; F40-P186 WeakPolarHBondContact CB-O 3.37Å; F40-F189 HydrophobicContact CB-CE2 4.34Å; F40-F189 HydrophobicContact CB-CZ 4.45Å; F40-F189 AromaticContact CD2-CE2 3.97Å; F40-F189 HydrophobicContact CD2-CE2 3.97Å; F40-F189 AromaticContact CD2-CZ 3.69Å; F40-F189 HydrophobicContact CD2-CZ 3.69Å; F40-F189 HydrophobicContact CE2-CZ 4.1Å; F40-F189 HydrophobicContact CG-CE2 4.4Å; F40-F189 HydrophobicContact CG-CZ 4.12Å; F40-V286 HydrophobicContact CB-CG1 4.05Å; F40-V286 HydrophobicContact CD1-CG1 3.91Å; F40-V286 HydrophobicContact CG-CG1 4.22Å; F40-R288 HydrophobicContact CD1-CG 4.24Å
41D91.9Very high88.7Confident17 Ų1741.3 Ų41.39%0.09121%0.206CC..  trans-75.994.5179.5-166.3-37.3000111.4R31 L43 V44 S45 P186 F189R31-D41 VanDerWaalsContact CD-OD2 3.26Å; R31-D41 WeakPolarHBondContact CD-OD2 3.38Å; R31-D41 WeakPolarHBondContact CG-OD2 3.38Å; D41-L43 VanDerWaalsContact C-N 3.25Å; D41-L43 PolarHBondContact O-N 2.81Å; D41-L43 WeakPolarHBondContact OD1-CA 3.49Å; D41-L43 WeakPolarHBondContact OD1-CB 3.39Å; D41-L43 PolarHBondContact OD1-N 2.87Å; D41-V44 HydrophobicContact CB-CB 4.1Å; D41-V44 HydrophobicContact CB-CG2 4.03Å; D41-V44 VanDerWaalsContact CG-CG2 3.41Å; D41-V44 PolarHBondContact O-N 3.43Å; D41-V44 PolarHBondContact OD1-N 2.85Å; D41-S45 PolarHBondContact O-N 3.05Å; D41-S45 VanDerWaalsContact O-N 3.17Å; D41-P186 PolarHBondContact N-O 2.83Å; D41-F189 WeakPolarHBondContact O-CE2 3.45Å
42L91.6Very high88.7Confident21 Ų2138.9 Ų38.911%0.1120%0.197CC..Hα-helixtrans-61.2-32.9178.1179.362.2000112.5G34 F40 S45 D46 A86G34-L42 VanDerWaalsContact CA-CB 3.4Å; F40-L42 PolarHBondContact O-N 3.44Å; F40-L42 VanDerWaalsContact O-N 3.08Å; L42-S45 PolarHBondContact O-N 3.17Å; L42-D46 WeakPolarHBondContact CD1-OD1 3.24Å; L42-D46 WeakPolarHBondContact O-CB 3.06Å; L42-D46 PolarHBondContact O-N 2.79Å; L42-A86 HydrophobicContact CD1-CB 3.59Å
43L92Very high88.3Confident4 Ų439.6 Ų39.62%0.02119%0.194CC..Hα-helixtrans-66.6-45.1-178.717869.5000110.4V22 E27 R30 R31 D41 S45 D46 K47V22-L43 HydrophobicContact CG2-CD2 3.91Å; E27-L43 HydrophobicContact CB-CD1 3.85Å; E27-L43 HydrophobicContact CB-CD2 3.81Å; E27-L43 HydrophobicContact CG-CD1 3.79Å; E27-L43 HydrophobicContact CG-CD2 4.45Å; R30-L43 HydrophobicContact CB-CD1 4.47Å; R31-L43 HydrophobicContact CB-CB 4Å; R31-L43 HydrophobicContact CB-CD2 4.29Å; D41-L43 VanDerWaalsContact C-N 3.25Å; D41-L43 PolarHBondContact O-N 2.81Å; D41-L43 WeakPolarHBondContact OD1-CA 3.49Å; D41-L43 WeakPolarHBondContact OD1-CB 3.39Å; D41-L43 PolarHBondContact OD1-N 2.87Å; L43-S45 VanDerWaalsContact C-N 3.33Å; L43-D46 PolarHBondContact O-N 2.66Å; L43-K47 HydrophobicContact CG-CD 4.34Å; L43-K47 WeakPolarHBondContact O-CB 3.3Å; L43-K47 WeakPolarHBondContact O-CG 3.41Å; L43-K47 PolarHBondContact O-N 2.97Å
44V92.3Very high88.4Confident1 Ų135.8 Ų35.81%0.00620%0.195CC..Hα-helixtrans-60.8-45176.5172.40000110.4L19 L20 D41 D46 K47 L48 T188 F189L19-V44 HydrophobicContact CB-CG1 4.36Å; L20-V44 HydrophobicContact CD2-CG2 3.84Å; D41-V44 HydrophobicContact CB-CB 4.1Å; D41-V44 HydrophobicContact CB-CG2 4.03Å; D41-V44 VanDerWaalsContact CG-CG2 3.41Å; D41-V44 PolarHBondContact O-N 3.43Å; D41-V44 PolarHBondContact OD1-N 2.85Å; V44-D46 PolarHBondContact O-N 3.22Å; V44-K47 PolarHBondContact O-N 3.45Å; V44-L48 PolarHBondContact O-N 3.08Å; V44-T188 WeakPolarHBondContact CG1-O 3.22Å; V44-F189 HydrophobicContact CB-CD2 4.29Å; V44-F189 HydrophobicContact CG1-CB 4.17Å; V44-F189 HydrophobicContact CG1-CD2 3.9Å; V44-F189 HydrophobicContact CG1-CG 4.42Å
45S93.2Very high88.9Confident0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-57.9-49.6173-173.10000111.9D41 L42 L43 K47 L48 G49 S88 V89 R92D41-S45 PolarHBondContact O-N 3.05Å; D41-S45 VanDerWaalsContact O-N 3.17Å; L42-S45 PolarHBondContact O-N 3.17Å; L43-S45 VanDerWaalsContact C-N 3.33Å; S45-K47 VanDerWaalsContact C-N 3.25Å; S45-K47 PolarHBondContact O-N 3.44Å; S45-L48 WeakPolarHBondContact O-CB 3.08Å; S45-L48 PolarHBondContact O-N 3.38Å; S45-L48 VanDerWaalsContact O-N 3.17Å; S45-G49 PolarHBondContact O-N 3.38Å; S45-S88 PolarHBondContact OG-OG 2.94Å; S45-V89 VanDerWaalsContact OG-CG2 3.25Å; S45-V89 WeakPolarHBondContact OG-CG2 3.38Å; S45-R92 PolarHBondContact O-NH2 2.8Å; S45-R92 PolarHBondContact OG-NH2 3.43Å
46D92.3Very high89.6Confident40 Ų4037.7 Ų37.721%0.21420%0.204CC..Hα-helixtrans-61.6-36.1-178.4-70.2-14.3000111.7R30 L42 L43 V44 G49 S88R30-D46 IonicContact CZ-OD2 3.35Å; R30-D46 IonicContact NE-OD2 2.83Å; R30-D46 PolarHBondContact NE-OD2 3.01Å; R30-D46 IonicContact NH2-OD2 3.51Å; R30-D46 PolarHBondContact NH2-OD2 2.84Å; L42-D46 WeakPolarHBondContact CD1-OD1 3.24Å; L42-D46 WeakPolarHBondContact O-CB 3.06Å; L42-D46 PolarHBondContact O-N 2.79Å; L43-D46 PolarHBondContact O-N 2.66Å; V44-D46 PolarHBondContact O-N 3.22Å; D46-G49 PolarHBondContact O-N 2.75Å; D46-S88 WeakPolarHBondContact OD1-CB 3.36Å; D46-S88 PolarHBondContact OD1-OG 3.11Å
47K91.9Very high90.3Very high34 Ų3437.2 Ų37.215%0.14820%0.199CC..Hα-helixtrans-72.5-30176.6-74-177.2179.5-1710114.1L19 R21 E27 L43 V44 S45 G49L19-K47 HydrophobicContact CD2-CB 3.69Å; R21-K47 PolarHBondContact O-NZ 3.42Å; E27-K47 VanDerWaalsContact CD-NZ 3.31Å; E27-K47 WeakPolarHBondContact OE1-CE 3.24Å; E27-K47 IonicContact OE1-NZ 2.63Å; E27-K47 PolarHBondContact OE1-NZ 3.09Å; E27-K47 VanDerWaalsContact OE1-NZ 3.17Å; E27-K47 IonicContact OE2-NZ 2.9Å; E27-K47 PolarHBondContact OE2-NZ 3.09Å; L43-K47 HydrophobicContact CG-CD 4.34Å; L43-K47 WeakPolarHBondContact O-CB 3.3Å; L43-K47 WeakPolarHBondContact O-CG 3.41Å; L43-K47 PolarHBondContact O-N 2.97Å; V44-K47 PolarHBondContact O-N 3.45Å; S45-K47 VanDerWaalsContact C-N 3.25Å; S45-K47 PolarHBondContact O-N 3.44Å; K47-G49 PolarHBondContact O-N 2.92Å
48L91.8Very high90.9Very high28 Ų2832.7 Ų32.715%0.14718%0.179CC..Hα-helixtrans-63-26.5171.1-80172000112L19 V44 S45 F189L19-L48 HydrophobicContact CD1-CD2 3.51Å; L19-L48 HydrophobicContact CD1-CG 4.05Å; L19-L48 HydrophobicContact CD2-CD2 4.23Å; L19-L48 HydrophobicContact CD2-CG 4.31Å; V44-L48 PolarHBondContact O-N 3.08Å; S45-L48 WeakPolarHBondContact O-CB 3.08Å; S45-L48 PolarHBondContact O-N 3.38Å; S45-L48 VanDerWaalsContact O-N 3.17Å; L48-F189 HydrophobicContact CD1-CB 3.32Å; L48-F189 HydrophobicContact CD1-CD1 4.17Å; L48-F189 HydrophobicContact CD1-CG 3.88Å
49G91.2Very high91.3Very high10 Ų1033.6 Ų33.610%0.10318%0.181CC..  trans78.7-174.2177.700000113.9S45 D46 K47 R92S45-G49 PolarHBondContact O-N 3.38Å; D46-G49 PolarHBondContact O-N 2.75Å; K47-G49 PolarHBondContact O-N 2.92Å; G49-R92 PolarHBondContact O-NE 3.18Å; G49-R92 VanDerWaalsContact O-NE 3.1Å; G49-R92 PolarHBondContact O-NH2 3.22Å
50P91.4Very high91.6Very high44 Ų4436.6 Ų36.629%0.28619%0.194SC..SBendtrans-79.8-17.9-173.331.6-35.8000113.7I91 R92 N95P50-I91 HydrophobicContact CB-CG2 3.59Å; P50-R92 WeakPolarHBondContact O-CA 3.29Å; P50-N95 PolarHBondContact O-ND2 3.24Å
51H89.9Confident91.7Very high63 Ų6340.8 Ų40.829%0.29222%0.222SC..  trans-126.7124.9179.4-66.2-79.5000109.9Y53 N95H51-Y53 HydrophobicContact CB-CD2 4.21Å; H51-Y53 HydrophobicContact CB-CE1 4.21Å; H51-Y53 HydrophobicContact CB-CE2 3.65Å; H51-Y53 AromaticContact CG-CZ 3.97Å; H51-N95 PolarHBondContact CE1-ND2 2.91Å; H51-N95 PolarHBondContact NE2-ND2 2.66Å
52R86.5Confident91.9Very high43 Ų4342.9 Ų42.916%0.16223%0.233CC..  trans-113.987.8169.3-172.9178.9-173.5174.78.9108.3A54 L55 R92 R100 E157 F189R52-A54 VanDerWaalsContact C-N 3.34Å; R52-A54 PolarHBondContact O-N 2.91Å; R52-L55 HydrophobicContact CG-CD2 4.2Å; R52-R92 HydrophobicContact CB-CG 4.33Å; R52-R100 PolarHBondContact O-NH2 2.89Å; R52-E157 VanDerWaalsContact CD-OE2 3.32Å; R52-E157 WeakPolarHBondContact CD-OE2 3.43Å; R52-E157 IonicContact NH1-OE1 3.61Å; R52-E157 PolarHBondContact NH1-OE1 3.28Å; R52-E157 VanDerWaalsContact NH1-OE1 3.11Å; R52-F189 VanDerWaalsContact CZ-O 3.3Å; R52-F189 PolarHBondContact NH1-O 2.87Å; R52-F189 PolarHBondContact NH2-O 3.15Å
53Y77.1Confident92.2Very high106 Ų10642 Ų4242%0.41623%0.228SC..  trans-64.3-38.2-172.7-65.5-75.1000112.6H51H51-Y53 HydrophobicContact CB-CD2 4.21Å; H51-Y53 HydrophobicContact CB-CE1 4.21Å; H51-Y53 HydrophobicContact CB-CE2 3.65Å; H51-Y53 AromaticContact CG-CZ 3.97Å
54A83.5Confident92.3Very high70 Ų7046.4 Ų46.458%0.57925%0.251SS*.  trans-102118.5178.300000111.3R52R52-A54 VanDerWaalsContact C-N 3.34Å; R52-A54 PolarHBondContact O-N 2.91Å
55L92.5Very high92.4Very high26 Ų2652.1 Ų52.114%0.13628%0.282CS..  trans-115.3146.5159.8-71.7179.2000107.6R52 D57 R100 E157 Y191R52-L55 HydrophobicContact CG-CD2 4.2Å; L55-D57 PolarHBondContact O-N 3.42Å; L55-R100 VanDerWaalsContact CD1-NH1 3.33Å; L55-E157 HydrophobicContact CD1-CB 4.07Å; L55-Y191 HydrophobicContact CD1-CD2 4.06Å; L55-Y191 HydrophobicContact CD1-CE2 4.01Å; L55-Y191 HydrophobicContact CD2-CD2 3.76Å; L55-Y191 HydrophobicContact CD2-CG 4.01Å; L55-Y191 HydrophobicContact CG-CD2 4.46Å
56P94.7Very high92.5Very high64 Ų6456 Ų5642%0.41630%0.3SS..  trans-60.9132.9168.127.7-32.7000109.2T58 N159 Y191P56-T58 HydrophobicContact CG-CG2 4.35Å; P56-T58 PolarHBondContact O-N 3Å; P56-N159 PolarHBondContact O-ND2 2.75Å; P56-Y191 HydrophobicContact CG-CD1 3.91Å; P56-Y191 HydrophobicContact CG-CG 4.44Å
57D96.2Very high92.6Very high68 Ų6860.4 Ų60.436%0.36433%0.328SS..  trans-73.2107.7169.2-171.3-10.2000108.1L55 R59 V160L55-D57 PolarHBondContact O-N 3.42Å; D57-R59 VanDerWaalsContact OD1-CB 3.28Å; D57-R59 WeakPolarHBondContact OD1-CB 3.36Å; D57-R59 VanDerWaalsContact OD1-CG 3.27Å; D57-R59 WeakPolarHBondContact OD1-CG 3.4Å; D57-R59 IonicContact OD1-CZ 3.39Å; D57-R59 PolarHBondContact OD1-N 3.49Å; D57-R59 VanDerWaalsContact OD1-N 3.1Å; D57-R59 IonicContact OD1-NE 3.24Å; D57-R59 PolarHBondContact OD1-NE 2.88Å; D57-R59 IonicContact OD1-NH2 2.7Å; D57-R59 IonicContact OD2-CZ 3.12Å; D57-R59 IonicContact OD2-NE 3.2Å; D57-R59 PolarHBondContact OD2-NE 3.33Å; D57-R59 IonicContact OD2-NH2 3.17Å; D57-R59 PolarHBondContact OD2-NH2 3.35Å; D57-V160 HydrophobicContact CB-CG1 4.41Å
58T97.1Very high92.8Very high14 Ų1461.6 Ų61.69%0.08633%0.332CS..  trans-94.92.3-175.3510000112.6P56 N159 D182 Y191 A193 R282P56-T58 HydrophobicContact CG-CG2 4.35Å; P56-T58 PolarHBondContact O-N 3Å; T58-N159 PolarHBondContact OG1-ND2 2.94Å; T58-D182 WeakPolarHBondContact CB-OD2 3.4Å; T58-D182 PolarHBondContact OG1-OD2 3.37Å; T58-Y191 HydrophobicContact CG2-CD1 3.92Å; T58-Y191 HydrophobicContact CG2-CE1 3.58Å; T58-A193 HydrophobicContact CG2-CB 3.67Å; T58-R282 PolarHBondContact O-NE 3.35Å; T58-R282 PolarHBondContact O-NH2 3.19Å; T58-R282 WeakPolarHBondContact OG1-CG 3.49Å
59R97Very high93Very high44 Ų4463.9 Ų63.917%0.16635%0.345CS..SBendtrans-66152.9177-62176.9-61.21604.9110.3D57 C63 L64 V160 C280 R282D57-R59 VanDerWaalsContact OD1-CB 3.28Å; D57-R59 WeakPolarHBondContact OD1-CB 3.36Å; D57-R59 VanDerWaalsContact OD1-CG 3.27Å; D57-R59 WeakPolarHBondContact OD1-CG 3.4Å; D57-R59 IonicContact OD1-CZ 3.39Å; D57-R59 PolarHBondContact OD1-N 3.49Å; D57-R59 VanDerWaalsContact OD1-N 3.1Å; D57-R59 IonicContact OD1-NE 3.24Å; D57-R59 PolarHBondContact OD1-NE 2.88Å; D57-R59 IonicContact OD1-NH2 2.7Å; D57-R59 IonicContact OD2-CZ 3.12Å; D57-R59 IonicContact OD2-NE 3.2Å; D57-R59 PolarHBondContact OD2-NE 3.33Å; D57-R59 IonicContact OD2-NH2 3.17Å; D57-R59 PolarHBondContact OD2-NH2 3.35Å; R59-C63 HydrophobicContact CB-CB 3.98Å; R59-L64 HydrophobicContact CB-CD1 4.25Å; R59-V160 WeakPolarHBondContact CD-O 3.23Å; R59-V160 PolarHBondContact NE-O 3Å; R59-C280 VanDerWaalsContact CD-O 3.28Å; R59-C280 WeakPolarHBondContact CD-O 3.25Å; R59-C280 WeakPolarHBondContact CG-O 3.45Å; R59-R282 HydrophobicContact CG-CB 4.49Å; R59-R282 HydrophobicContact CG-CG 3.71Å
60H96.2Very high93.2Very high67 Ų6765.5 Ų65.531%0.3135%0.352SS..  trans-63.4142.5171.7-170.9-94.7000109.4L62 C63H60-L62 WeakPolarHBondContact ND1-CB 3.37Å; H60-L62 WeakPolarHBondContact ND1-CG 3.21Å; H60-L62 PolarHBondContact ND1-N 3.17Å; H60-L62 PolarHBondContact O-N 3.29Å; H60-C63 WeakPolarHBondContact O-CB 3.28Å; H60-C63 PolarHBondContact O-N 3.39Å
61P95.6Very high93.4Very high93 Ų9369.5 Ų69.560%0.60437%0.371SS*.G310 helixtrans-53-31.3-178.5-30.836.6000114.6C63 L64P61-C63 VanDerWaalsContact C-N 3.3Å; P61-C63 PolarHBondContact O-N 3.33Å; P61-L64 WeakPolarHBondContact O-CB 3.13Å; P61-L64 PolarHBondContact O-N 3.13Å
62L96.2Very high93.7Very high61 Ų6176.5 Ų76.532%0.31940%0.395SS..G310 helixtrans-66.6-28.8176.4-62.6173.7000113.3H60 L64 N65 P220 V224H60-L62 WeakPolarHBondContact ND1-CB 3.37Å; H60-L62 WeakPolarHBondContact ND1-CG 3.21Å; H60-L62 PolarHBondContact ND1-N 3.17Å; H60-L62 PolarHBondContact O-N 3.29Å; L62-L64 PolarHBondContact O-N 3.29Å; L62-N65 WeakPolarHBondContact O-CB 3.42Å; L62-N65 PolarHBondContact O-N 2.78Å; L62-N65 VanDerWaalsContact O-N 3.11Å; L62-P220 HydrophobicContact CD1-CB 3.7Å; L62-V224 HydrophobicContact CB-CG2 3.43Å; L62-V224 VanDerWaalsContact CB-CG2 3.43Å; L62-V224 HydrophobicContact CD1-CG2 4.23Å; L62-V224 HydrophobicContact CG-CG2 4.49Å
63C97.3Very high94.2Very high2 Ų275.6 Ų75.61%0.01439%0.393CS..G310 helixtrans-64.4-19.8175.4-65.90000113.1R59 H60 P61 N65 E66 C280R59-C63 HydrophobicContact CB-CB 3.98Å; H60-C63 WeakPolarHBondContact O-CB 3.28Å; H60-C63 PolarHBondContact O-N 3.39Å; P61-C63 VanDerWaalsContact C-N 3.3Å; P61-C63 PolarHBondContact O-N 3.33Å; C63-N65 PolarHBondContact O-N 3.02Å; C63-E66 PolarHBondContact O-N 2.91Å; C63-C280 VanDerWaalsContact CA-SG 3.57Å; C63-C280 HydrophobicContact CB-CB 3.64Å; C63-C280 WeakPolarHBondContact CB-SG 3.37Å; C63-C280 WeakPolarHBondContact SG-CA 3.39Å; C63-C280 WeakPolarHBondContact SG-CB 3.19Å; C63-C280 CovalentContact SG-SG 2.04Å; C63-C280 PolarHBondContact SG-SG 2.87Å
64L94.7Very high95.2Very high96 Ų9671.2 Ų71.250%0.50338%0.378SS..G310 helixtrans-75.6-16.2177.9-76.359.8000111.8R59 P61 L62R59-L64 HydrophobicContact CB-CD1 4.25Å; P61-L64 WeakPolarHBondContact O-CB 3.13Å; P61-L64 PolarHBondContact O-N 3.13Å; L62-L64 PolarHBondContact O-N 3.29Å
65N94.4Very high95.9Very high122 Ų12269.9 Ų69.965%0.65236%0.361SS*.G310 helixtrans-90.6-10.9176.5-61.9-21.8000112.6L62 C63L62-N65 WeakPolarHBondContact O-CB 3.42Å; L62-N65 PolarHBondContact O-N 2.78Å; L62-N65 VanDerWaalsContact O-N 3.11Å; C63-N65 PolarHBondContact O-N 3.02Å
66E95.1Very high96.2Very high82 Ų8268.6 Ų68.638%0.38336%0.355SS..  trans-72.4136.1177.1-63.1-60.7125.100110.1C63 Y68 V224C63-E66 PolarHBondContact O-N 2.91Å; E66-Y68 HydrophobicContact CB-CE2 3.98Å; E66-Y68 WeakPolarHBondContact CB-OH 3.33Å; E66-V224 HydrophobicContact CG-CG1 3.65Å; E66-V224 WeakPolarHBondContact OE1-CG1 3.46Å
67T94.7Very high96.3Very high131 Ų13165.6 Ų65.680%0.80434%0.335SS*.  trans-122.4139.3175.656.70000109.6
68Y95.3Very high96.4Very high59 Ų5962.3 Ų62.323%0.23132%0.317CS..  trans-125.3129.6-177-55.3-75.7000109.3E66 V70 E164 P165 V168E66-Y68 HydrophobicContact CB-CE2 3.98Å; E66-Y68 WeakPolarHBondContact CB-OH 3.33Å; Y68-V70 PolarHBondContact O-N 3.09Å; Y68-E164 HydrophobicContact CD1-CB 4.29Å; Y68-E164 HydrophobicContact CD2-CB 3.49Å; Y68-E164 VanDerWaalsContact CD2-CB 3.49Å; Y68-E164 HydrophobicContact CD2-CG 4.31Å; Y68-E164 HydrophobicContact CE2-CB 4.08Å; Y68-E164 HydrophobicContact CG-CB 3.62Å; Y68-P165 HydrophobicContact CE2-CG 4.07Å; Y68-V168 HydrophobicContact CD1-CB 4.35Å; Y68-V168 HydrophobicContact CD1-CG1 4.36Å; Y68-V168 HydrophobicContact CE1-CG1 4.07Å
69D96Very high96.4Very high77 Ų7761.8 Ų61.841%0.41231%0.314SS..  trans-78.187.9172.3-173.8-8.3000109.1D71 R72D69-D71 PolarHBondContact O-N 3.23Å; D69-D71 PolarHBondContact OD1-N 2.99Å; D69-R72 HydrophobicContact CB-CG 4.45Å; D69-R72 PolarHBondContact O-N 3.33Å; D69-R72 VanDerWaalsContact O-N 3.1Å; D69-R72 WeakPolarHBondContact OD2-CD 3.33Å; D69-R72 WeakPolarHBondContact OD2-CG 3.3Å; D69-R72 IonicContact OD2-CZ 2.92Å; D69-R72 IonicContact OD2-NE 3.98Å; D69-R72 PolarHBondContact OD2-NE 2.95Å; D69-R72 IonicContact OD2-NH2 4Å
70V95.9Very high96.4Very high43 Ų4359.7 Ų59.726%0.26131%0.306SS..G310 helixtrans-59-28-173.5-64.20000113.3Y68 R72 L73 P102 V104 L105 E164Y68-V70 PolarHBondContact O-N 3.09Å; V70-R72 VanDerWaalsContact C-N 3.25Å; V70-R72 PolarHBondContact O-N 3.2Å; V70-L73 PolarHBondContact O-N 2.86Å; V70-P102 HydrophobicContact CG1-CG 4.41Å; V70-V104 HydrophobicContact CB-CG2 4.22Å; V70-V104 HydrophobicContact CG2-CG2 4.15Å; V70-L105 HydrophobicContact CG1-CD1 4.46Å; V70-L105 VanDerWaalsContact O-CD2 3.3Å; V70-L105 WeakPolarHBondContact O-CD2 3.49Å; V70-E164 HydrophobicContact CG1-CG 4.28Å
71D95.6Very high96.2Very high129 Ų12957 Ų5769%0.6929%0.294SS*.G310 helixtrans-75.4-16.7-178.4-66.3-41.7000112.6D69D69-D71 PolarHBondContact O-N 3.23Å; D69-D71 PolarHBondContact OD1-N 2.99Å
72R95.9Very high96.1Very high209 Ų20953.5 Ų53.579%0.78927%0.269SS*.G310 helixtrans-95-11.4175.9-65.6-174-171.8-171.1-1.2113.8D69 V70D69-R72 HydrophobicContact CB-CG 4.45Å; D69-R72 PolarHBondContact O-N 3.33Å; D69-R72 VanDerWaalsContact O-N 3.1Å; D69-R72 WeakPolarHBondContact OD2-CD 3.33Å; D69-R72 WeakPolarHBondContact OD2-CG 3.3Å; D69-R72 IonicContact OD2-CZ 2.92Å; D69-R72 IonicContact OD2-NE 3.98Å; D69-R72 PolarHBondContact OD2-NE 2.95Å; D69-R72 IonicContact OD2-NH2 4Å; V70-R72 VanDerWaalsContact C-N 3.25Å; V70-R72 PolarHBondContact O-N 3.2Å
73L97.3Very high95.7Very high24 Ų2452.9 Ų52.913%0.12626%0.263CS..SBendtrans-80.9147-177.8-65.4179000111V70 L105 E164 L167 V168V70-L73 PolarHBondContact O-N 2.86Å; L73-L105 HydrophobicContact CB-CD2 3.65Å; L73-L105 HydrophobicContact CD1-CD1 4.48Å; L73-E164 HydrophobicContact CD1-CB 4.16Å; L73-E164 HydrophobicContact CD1-CG 4.43Å; L73-L167 HydrophobicContact CB-CB 4.28Å; L73-L167 HydrophobicContact CB-CD1 4.36Å; L73-L167 HydrophobicContact CD1-CB 4.21Å; L73-L167 HydrophobicContact CD2-CB 4.23Å; L73-L167 HydrophobicContact CG-CB 4.48Å; L73-V168 HydrophobicContact CD2-CB 4.07Å; L73-V168 HydrophobicContact CD2-CG2 4.49Å
74P97.6Very high95.3Very high15 Ų1554.6 Ų54.610%0.09727%0.272CS..PPolyproline II helixtrans-67.9145.3178.128.7-35.8000111.5Q147 V148 L167P74-Q147 HydrophobicContact CB-CB 3.86Å; P74-V148 HydrophobicContact CB-CG2 3.94Å; P74-V148 HydrophobicContact CG-CG2 3.67Å; P74-L167 HydrophobicContact CG-CB 4.45Å; P74-L167 HydrophobicContact CG-CD2 4.4Å; P74-L167 WeakPolarHBondContact O-CD1 3.5Å
75N97.9Very high95.2Very high41 Ų4150.4 Ų50.422%0.21925%0.25CC..PPolyproline II helixtrans-74.5162.3175.171.317.1000112.5L105 H107 G146 Q147 V148N75-L105 CarbonylContact C-O 3.47Å; N75-L105 VanDerWaalsContact CA-O 3.25Å; N75-L105 WeakPolarHBondContact CA-O 3.45Å; N75-L105 WeakPolarHBondContact CB-O 3.34Å; N75-H107 HydrophobicContact CB-CB 4.23Å; N75-G146 WeakPolarHBondContact OD1-CA 3.38Å; N75-Q147 PolarHBondContact O-N 2.98Å; N75-Q147 WeakPolarHBondContact OD1-CG 3.01Å; N75-Q147 PolarHBondContact OD1-N 3.31Å; N75-V148 PolarHBondContact O-N 2.84Å
76V98.6Very high95Very high0 Ų044.8 Ų44.80%022%0.22CC..EExtended strand (participates in β ladder)trans-126.6141.9-170.8-450000113.2L78 L105 L106 H107 E108 V148 V150 L163 L167V76-L78 HydrophobicContact CG2-CG 4.34Å; V76-L105 PolarHBondContact N-O 2.73Å; V76-L106 HydrophobicContact CG2-CD1 4.19Å; V76-H107 WeakPolarHBondContact O-CA 3.47Å; V76-H107 WeakPolarHBondContact O-CB 3.38Å; V76-H107 PolarHBondContact O-N 3.14Å; V76-E108 PolarHBondContact O-N 3.01Å; V76-V148 VanDerWaalsContact CA-O 3.29Å; V76-V148 WeakPolarHBondContact CA-O 3.38Å; V76-V148 HydrophobicContact CG1-CB 4.17Å; V76-V148 HydrophobicContact CG1-CG1 4.5Å; V76-V150 HydrophobicContact CB-CG2 4.11Å; V76-V150 HydrophobicContact CG1-CG2 4.25Å; V76-L163 HydrophobicContact CG1-CD1 4.23Å; V76-L163 HydrophobicContact CG1-CD2 4.05Å; V76-L163 HydrophobicContact CG2-CD2 3.92Å; V76-L167 HydrophobicContact CG1-CD1 3.76Å; V76-L167 HydrophobicContact CG1-CD2 3.52Å; V76-L167 HydrophobicContact CG1-CG 4.21Å
77S98.6Very high94.8Very high0 Ų043.5 Ų43.50%022%0.216CC..EExtended strand (participates in β ladder)trans-101.9118.2159.8-60.40000108.8E108 A144 V145 G146 V148 V150S77-E108 WeakPolarHBondContact CB-OE1 3.32Å; S77-E108 WeakPolarHBondContact OG-CG 3.29Å; S77-E108 PolarHBondContact OG-OE1 3.35Å; S77-A144 VanDerWaalsContact CB-CB 3.49Å; S77-V145 PolarHBondContact OG-N 2.85Å; S77-G146 VanDerWaalsContact OG-CA 3.31Å; S77-G146 WeakPolarHBondContact OG-CA 3.47Å; S77-G146 PolarHBondContact OG-N 2.93Å; S77-V148 PolarHBondContact N-O 3.09Å; S77-V150 PolarHBondContact O-N 3.28Å
78L98.1Very high94.7Very high0 Ų038 Ų380%018%0.183CC..EExtended strand (participates in β ladder)trans-84.5124.9174.1-77.7165.4000110V76 I97 L106 E108 I109 L110 V150 L152 W162V76-L78 HydrophobicContact CG2-CG 4.34Å; L78-I97 HydrophobicContact CD1-CD1 4.29Å; L78-I97 HydrophobicContact CD1-CG1 4.47Å; L78-I97 HydrophobicContact CD1-CG2 3.32Å; L78-L106 HydrophobicContact CD1-CD1 3.57Å; L78-L106 HydrophobicContact CG-CD1 4.21Å; L78-E108 PolarHBondContact N-O 2.84Å; L78-I109 HydrophobicContact CB-CG1 4.3Å; L78-I109 HydrophobicContact CB-CG2 4.36Å; L78-I109 HydrophobicContact CD1-CG1 4.26Å; L78-I109 CarbonylContact O-C 3.58Å; L78-L110 PolarHBondContact O-N 3.22Å; L78-V150 CarbonylContact C-O 3.56Å; L78-V150 WeakPolarHBondContact CA-O 3.37Å; L78-V150 HydrophobicContact CD2-CB 3.47Å; L78-V150 VanDerWaalsContact CD2-CB 3.47Å; L78-V150 HydrophobicContact CD2-CG1 3.41Å; L78-V150 VanDerWaalsContact CD2-CG1 3.41Å; L78-V150 HydrophobicContact CD2-CG2 4.43Å; L78-V150 HydrophobicContact CG-CB 4.4Å; L78-L152 HydrophobicContact CD2-CD1 3.93Å; L78-L152 HydrophobicContact CD2-CG 4.34Å; L78-W162 HydrophobicContact CD1-CZ2 4.42Å; L78-W162 HydrophobicContact CD2-CH2 3.72Å; L78-W162 HydrophobicContact CD2-CZ2 4.29Å
79I97.4Very high94.6Very high2 Ų235.5 Ų35.51%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-111.7114.2179.9-60.7160.2000108.5L110 I112 A141 A144 L149 V150 F151 L152I79-L110 HydrophobicContact CG1-CD1 4.31Å; I79-I112 HydrophobicContact CG2-CG1 4.29Å; I79-A141 HydrophobicContact CD1-CB 4.17Å; I79-A144 HydrophobicContact CD1-CB 4.38Å; I79-L149 HydrophobicContact CD1-CB 4.3Å; I79-L149 HydrophobicContact CD1-CD2 4.09Å; I79-V150 PolarHBondContact N-O 3.25Å; I79-F151 HydrophobicContact CB-CD1 3.8Å; I79-F151 HydrophobicContact CB-CE1 4.06Å; I79-F151 HydrophobicContact CD1-CD1 4.04Å; I79-F151 HydrophobicContact CD1-CE1 3.48Å; I79-F151 VanDerWaalsContact CD1-CE1 3.48Å; I79-F151 HydrophobicContact CD1-CZ 3.85Å; I79-F151 HydrophobicContact CG1-CE1 4.39Å; I79-F151 HydrophobicContact CG2-CD1 3.88Å; I79-F151 HydrophobicContact CG2-CE1 4.01Å; I79-F151 WeakPolarHBondContact O-CA 3.37Å; I79-L152 PolarHBondContact O-N 3.48Å; I79-L152 VanDerWaalsContact O-N 3.12Å
80I96Very high94.5Very high0 Ų032.3 Ų32.30%016%0.156CC..EExtended strand (participates in β ladder)trans-121.8106.8-179.1-54.3166.9000107.9L90 M93 I97 I109 L110 L111 I112 L152I80-L90 HydrophobicContact CG2-CD1 4.18Å; I80-M93 HydrophobicContact CB-CE 4.43Å; I80-M93 HydrophobicContact CD1-CE 3.49Å; I80-M93 VanDerWaalsContact CD1-CE 3.49Å; I80-M93 HydrophobicContact CD1-SD 4.14Å; I80-M93 HydrophobicContact CG1-CE 3.64Å; I80-M93 HydrophobicContact CG2-CE 3.94Å; I80-M93 HydrophobicContact CG2-SD 4.04Å; I80-I97 HydrophobicContact CD1-CD1 3.81Å; I80-I109 HydrophobicContact CD1-CG2 3.75Å; I80-L110 PolarHBondContact N-O 2.78Å; I80-L111 HydrophobicContact CB-CD2 3.72Å; I80-L111 HydrophobicContact CD1-CD2 3.74Å; I80-L111 HydrophobicContact CG1-CD2 4.25Å; I80-L111 HydrophobicContact CG2-CD2 4.14Å; I80-L111 WeakPolarHBondContact O-CA 3.48Å; I80-I112 PolarHBondContact O-N 2.86Å; I80-L152 HydrophobicContact CG1-CB 4.44Å
81N92.7Very high94.4Very high12 Ų1232.4 Ų32.46%0.06416%0.155CC..EExtended strand (participates in β ladder)trans-90.6142.5175.1-60.7-8.2000109.6I112 L133 A136 R137 S154N81-I112 WeakPolarHBondContact CA-O 3.23Å; N81-I112 WeakPolarHBondContact OD1-CB 3.38Å; N81-I112 WeakPolarHBondContact OD1-CG1 3.29Å; N81-L133 HydrophobicContact CB-CD1 4.29Å; N81-L133 PolarHBondContact ND2-O 3.44Å; N81-L133 VanDerWaalsContact ND2-O 3.14Å; N81-A136 HydrophobicContact CB-CB 4.27Å; N81-A136 VanDerWaalsContact ND2-CB 3.33Å; N81-A136 WeakPolarHBondContact ND2-CB 3.41Å; N81-R137 VanDerWaalsContact ND2-CA 3.3Å; N81-R137 WeakPolarHBondContact ND2-CA 3.21Å; N81-R137 WeakPolarHBondContact ND2-CG 3.48Å; N81-R137 PolarHBondContact ND2-N 3.45Å; N81-S154 WeakPolarHBondContact O-CB 3.22Å; N81-S154 PolarHBondContact O-OG 2.88Å
82Y91.7Very high94.4Very high19 Ų1926.5 Ų26.58%0.07512%0.123CC..EExtended strand (participates in β ladder)trans-145.7156175.365.6-80.2000112.5E85 L90 L111 I112 D113 D114 F124Y82-E85 HydrophobicContact CD2-CB 4.37Å; Y82-L90 HydrophobicContact CD1-CD2 4.4Å; Y82-L90 HydrophobicContact CD2-CD2 4.35Å; Y82-L90 HydrophobicContact CE1-CD2 4.25Å; Y82-L90 HydrophobicContact CE2-CD2 4.15Å; Y82-L90 HydrophobicContact CG-CD2 4.4Å; Y82-L111 HydrophobicContact CE1-CB 4.02Å; Y82-I112 WeakPolarHBondContact CD1-O 3.27Å; Y82-I112 PolarHBondContact N-O 3.12Å; Y82-D113 HydrophobicContact CE1-CB 4.37Å; Y82-D113 HydrophobicContact CE2-CB 4.4Å; Y82-D114 PolarHBondContact O-N 2.96Å; Y82-F124 HydrophobicContact CE1-CD1 4.4Å; Y82-F124 HydrophobicContact CE1-CE1 4.44Å; Y82-F124 HydrophobicContact CE2-CE1 4.03Å; Y82-F124 AromaticContact CZ-CD1 3.84Å; Y82-F124 AromaticContact CZ-CE1 3.52Å; Y82-F124 WeakPolarHBondContact OH-CD1 3.48Å; Y82-F124 WeakPolarHBondContact OH-CE1 3.22Å
83Y89.7Confident94.4Very high47 Ų4716.6 Ų16.618%0.1849%0.085CC..SBendtrans-144.3115171.6174.5-107.6000108.8E85 D114 S115 R130Y83-E85 PolarHBondContact O-N 3.16Å; Y83-D114 WeakPolarHBondContact CD2-O 3.47Å; Y83-S115 VanDerWaalsContact CE2-O 3.29Å; Y83-S115 WeakPolarHBondContact CE2-O 3.47Å; Y83-R130 VanDerWaalsContact CD1-NH1 3.3Å
84N88.8Confident94.3Very high38 Ų3816.8 Ų16.820%0.2039%0.087CC..SBendtrans51.535.6-177.2-65.7-33.6000113.4H38 S116 N117H38-N84 PolarHBondContact CE1-O 2.94Å; H38-N84 PolarHBondContact ND1-O 3.27Å; N84-S116 PolarHBondContact N-OG 3.43Å; N84-S116 WeakPolarHBondContact OD1-CA 3.36Å; N84-N117 PolarHBondContact OD1-N 3.35Å
85E91.3Very high94.2Very high9 Ų917.6 Ų17.64%0.0429%0.091CC..  trans-69.6147.5178.8-169.664.9-79.400111.5Y82 Y83 L87 L90 S154 H155 R288Y82-E85 HydrophobicContact CD2-CB 4.37Å; Y83-E85 PolarHBondContact O-N 3.16Å; E85-L87 PolarHBondContact O-N 2.75Å; E85-L90 HydrophobicContact CG-CB 4.44Å; E85-S154 WeakPolarHBondContact CG-O 3.27Å; E85-S154 WeakPolarHBondContact OE2-CB 3.42Å; E85-S154 PolarHBondContact OE2-OG 3.39Å; E85-H155 IonicContact OE2-CE1 3.23Å; E85-H155 IonicContact OE2-CG 3.1Å; E85-H155 IonicContact OE2-ND1 3.76Å; E85-H155 PolarHBondContact OE2-ND1 3.27Å; E85-R288 IonicContact OE1-CZ 2.9Å; E85-R288 IonicContact OE1-NH2 3.83Å; E85-R288 PolarHBondContact OE1-NH2 3.25Å; E85-R288 IonicContact OE2-NH2 2.73Å; E85-R288 PolarHBondContact OE2-NH2 2.93Å
86A91.4Very high94.1Very high4 Ų416 Ų163%0.0338%0.084CC..  trans-64.2125.8173.800000110.8F40 L42 S88 V89 L90F40-A86 HydrophobicContact CE2-CB 3.83Å; F40-A86 HydrophobicContact CZ-CB 3.62Å; L42-A86 HydrophobicContact CD1-CB 3.59Å; A86-S88 VanDerWaalsContact C-N 3.26Å; A86-S88 PolarHBondContact O-N 3.48Å; A86-V89 HydrophobicContact CB-CB 4.36Å; A86-V89 HydrophobicContact CB-CG2 4.03Å; A86-V89 PolarHBondContact O-N 2.81Å; A86-L90 PolarHBondContact O-N 3.36Å; A86-L90 VanDerWaalsContact O-N 3.08Å
87L90.4Very high94.1Very high55 Ų5516 Ų1629%0.2888%0.084SC..Hα-helixtrans-58.6-37-176.9-17561.8000112.8E85 V89 L90 I91 L122 F123E85-L87 PolarHBondContact O-N 2.75Å; L87-V89 VanDerWaalsContact C-N 3.32Å; L87-V89 PolarHBondContact O-N 2.95Å; L87-L90 PolarHBondContact O-N 3.12Å; L87-I91 HydrophobicContact CD1-CD1 3.72Å; L87-I91 HydrophobicContact CD1-CG1 3.91Å; L87-I91 HydrophobicContact CD2-CD1 4.25Å; L87-I91 HydrophobicContact CG-CD1 3.64Å; L87-I91 HydrophobicContact CG-CG1 4.21Å; L87-I91 WeakPolarHBondContact O-CB 3.21Å; L87-I91 VanDerWaalsContact O-CG1 3.29Å; L87-I91 WeakPolarHBondContact O-CG1 3.42Å; L87-I91 PolarHBondContact O-N 3.39Å; L87-L122 HydrophobicContact CD2-CD1 4.26Å; L87-F123 HydrophobicContact CD1-CE2 4.12Å
88S92.4Very high94Very high16 Ų1620.8 Ų20.811%0.11211%0.109CC..Hα-helixtrans-63.1-37.5177.8490000112.7S45 D46 A86 R92S45-S88 PolarHBondContact OG-OG 2.94Å; D46-S88 WeakPolarHBondContact OD1-CB 3.36Å; D46-S88 PolarHBondContact OD1-OG 3.11Å; A86-S88 VanDerWaalsContact C-N 3.26Å; A86-S88 PolarHBondContact O-N 3.48Å; S88-R92 VanDerWaalsContact O-CB 3.25Å; S88-R92 WeakPolarHBondContact O-CB 3.4Å; S88-R92 PolarHBondContact O-N 3.47Å; S88-R92 VanDerWaalsContact O-N 3.14Å
89V93.8Very high93.8Very high6 Ų625.1 Ų25.14%0.03613%0.129CC..Hα-helixtrans-72.3-47.8178179.50000110.4F40 S45 A86 L87 I91 R92 M93 H155 F189F40-V89 HydrophobicContact CE2-CG2 3.83Å; F40-V89 HydrophobicContact CZ-CG2 3.73Å; S45-V89 VanDerWaalsContact OG-CG2 3.25Å; S45-V89 WeakPolarHBondContact OG-CG2 3.38Å; A86-V89 HydrophobicContact CB-CB 4.36Å; A86-V89 HydrophobicContact CB-CG2 4.03Å; A86-V89 PolarHBondContact O-N 2.81Å; L87-V89 VanDerWaalsContact C-N 3.32Å; L87-V89 PolarHBondContact O-N 2.95Å; V89-I91 PolarHBondContact O-N 3.3Å; V89-R92 PolarHBondContact O-N 3.13Å; V89-M93 WeakPolarHBondContact O-CB 3.44Å; V89-M93 PolarHBondContact O-N 3.09Å; V89-H155 VanDerWaalsContact CG1-CA 3.5Å; V89-H155 HydrophobicContact CG1-CB 3.62Å; V89-F189 HydrophobicContact CG2-CE1 3.96Å; V89-F189 HydrophobicContact CG2-CZ 4Å
90L93.8Very high93.8Very high9 Ų926.4 Ų26.45%0.04713%0.134CC..Hα-helixtrans-62.2-44.8-179.3-174.463000112.1I80 Y82 E85 A86 L87 M93 V94 L111I80-L90 HydrophobicContact CG2-CD1 4.18Å; Y82-L90 HydrophobicContact CD1-CD2 4.4Å; Y82-L90 HydrophobicContact CD2-CD2 4.35Å; Y82-L90 HydrophobicContact CE1-CD2 4.25Å; Y82-L90 HydrophobicContact CE2-CD2 4.15Å; Y82-L90 HydrophobicContact CG-CD2 4.4Å; E85-L90 HydrophobicContact CG-CB 4.44Å; A86-L90 PolarHBondContact O-N 3.36Å; A86-L90 VanDerWaalsContact O-N 3.08Å; L87-L90 PolarHBondContact O-N 3.12Å; L90-M93 WeakPolarHBondContact O-CB 3.39Å; L90-M93 PolarHBondContact O-N 3.2Å; L90-V94 WeakPolarHBondContact O-CG2 3.44Å; L90-V94 PolarHBondContact O-N 2.66Å; L90-L111 HydrophobicContact CD1-CD2 4.3Å
91I93.6Very high93.9Very high45 Ų4527 Ų2723%0.23114%0.137CC..Hα-helixtrans-63.4-44.5176.6-70175.3000110.7P50 L87 V89 M93 V94 N95 F123P50-I91 HydrophobicContact CB-CG2 3.59Å; L87-I91 HydrophobicContact CD1-CD1 3.72Å; L87-I91 HydrophobicContact CD1-CG1 3.91Å; L87-I91 HydrophobicContact CD2-CD1 4.25Å; L87-I91 HydrophobicContact CG-CD1 3.64Å; L87-I91 HydrophobicContact CG-CG1 4.21Å; L87-I91 WeakPolarHBondContact O-CB 3.21Å; L87-I91 VanDerWaalsContact O-CG1 3.29Å; L87-I91 WeakPolarHBondContact O-CG1 3.42Å; L87-I91 PolarHBondContact O-N 3.39Å; V89-I91 PolarHBondContact O-N 3.3Å; I91-M93 VanDerWaalsContact C-N 3.31Å; I91-M93 PolarHBondContact O-N 3.25Å; I91-V94 PolarHBondContact O-N 3.38Å; I91-N95 WeakPolarHBondContact CG2-ND2 3.27Å; I91-N95 WeakPolarHBondContact O-CB 3.44Å; I91-N95 PolarHBondContact O-N 3.3Å; I91-N95 PolarHBondContact O-ND2 3.39Å; I91-F123 HydrophobicContact CD1-CE2 4.31Å; I91-F123 HydrophobicContact CD1-CZ 4.46Å; I91-F123 HydrophobicContact CG1-CE2 4.23Å; I91-F123 HydrophobicContact CG1-CZ 4.48Å
92R94.9Very high94.1Very high5 Ų528 Ų282%0.01915%0.145CC..Hα-helixtrans-62-40.3178.9-169.4-174.1-51.3131.923.9112S45 G49 P50 R52 S88 V89 G96 E157S45-R92 PolarHBondContact O-NH2 2.8Å; S45-R92 PolarHBondContact OG-NH2 3.43Å; G49-R92 PolarHBondContact O-NE 3.18Å; G49-R92 VanDerWaalsContact O-NE 3.1Å; G49-R92 PolarHBondContact O-NH2 3.22Å; P50-R92 WeakPolarHBondContact O-CA 3.29Å; R52-R92 HydrophobicContact CB-CG 4.33Å; S88-R92 VanDerWaalsContact O-CB 3.25Å; S88-R92 WeakPolarHBondContact O-CB 3.4Å; S88-R92 PolarHBondContact O-N 3.47Å; S88-R92 VanDerWaalsContact O-N 3.14Å; V89-R92 PolarHBondContact O-N 3.13Å; R92-G96 PolarHBondContact O-N 2.79Å; R92-E157 IonicContact NH1-OE1 3.48Å
93M95.9Very high94.3Very high1 Ų130.3 Ų30.31%0.00517%0.174CC..Hα-helixtrans-59.4-53.5174.8177.2-179.5-179.500111.5I80 V89 L90 I91 N95 G96 I97 L152 D153 C156I80-M93 HydrophobicContact CB-CE 4.43Å; I80-M93 HydrophobicContact CD1-CE 3.49Å; I80-M93 VanDerWaalsContact CD1-CE 3.49Å; I80-M93 HydrophobicContact CD1-SD 4.14Å; I80-M93 HydrophobicContact CG1-CE 3.64Å; I80-M93 HydrophobicContact CG2-CE 3.94Å; I80-M93 HydrophobicContact CG2-SD 4.04Å; V89-M93 WeakPolarHBondContact O-CB 3.44Å; V89-M93 PolarHBondContact O-N 3.09Å; L90-M93 WeakPolarHBondContact O-CB 3.39Å; L90-M93 PolarHBondContact O-N 3.2Å; I91-M93 VanDerWaalsContact C-N 3.31Å; I91-M93 PolarHBondContact O-N 3.25Å; M93-N95 VanDerWaalsContact C-N 3.34Å; M93-N95 PolarHBondContact O-N 2.87Å; M93-G96 PolarHBondContact O-N 2.83Å; M93-I97 HydrophobicContact CE-CD1 4.06Å; M93-I97 HydrophobicContact CG-CD1 3.92Å; M93-I97 WeakPolarHBondContact O-CG1 3.11Å; M93-I97 PolarHBondContact O-N 3.05Å; M93-L152 HydrophobicContact CE-CB 3.35Å; M93-L152 HydrophobicContact CE-CD1 3.77Å; M93-L152 HydrophobicContact CE-CG 4.22Å; M93-D153 WeakPolarHBondContact CE-O 3.42Å; M93-C156 VanDerWaalsContact CB-O 3.27Å; M93-C156 WeakPolarHBondContact CB-O 3.21Å; M93-C156 HydrophobicContact CE-CB 4.1Å; M93-C156 VanDerWaalsContact CG-O 3.23Å; M93-C156 WeakPolarHBondContact CG-O 3.33Å; M93-C156 HydrophobicContact SD-CB 4.4Å
94V95.5Very high94.7Very high28 Ų2832.3 Ų32.317%0.1719%0.191CC..Hα-helixtrans-60.1-44.6-179.9173.30000111.1L90 I91 G96 I97 L98 I109 L111L90-V94 WeakPolarHBondContact O-CG2 3.44Å; L90-V94 PolarHBondContact O-N 2.66Å; I91-V94 PolarHBondContact O-N 3.38Å; V94-G96 PolarHBondContact O-N 3.27Å; V94-I97 WeakPolarHBondContact O-CB 3.39Å; V94-I97 PolarHBondContact O-N 2.92Å; V94-L98 HydrophobicContact CG1-CD1 4.07Å; V94-L98 HydrophobicContact CG1-CG 4.48Å; V94-L98 WeakPolarHBondContact O-CG 3.39Å; V94-L98 PolarHBondContact O-N 3.42Å; V94-I109 HydrophobicContact CG1-CD1 4.29Å; V94-L111 HydrophobicContact CG2-CD1 4.21Å; V94-L111 HydrophobicContact CG2-CD2 4.16Å
95N95.8Very high95.1Very high33 Ų3330.5 Ų30.518%0.17618%0.181CC..Hα-helixtrans-63-41.1176.9-76.5-24000112.6P50 H51 I91 M93 L98 Q99P50-N95 PolarHBondContact O-ND2 3.24Å; H51-N95 PolarHBondContact CE1-ND2 2.91Å; H51-N95 PolarHBondContact NE2-ND2 2.66Å; I91-N95 WeakPolarHBondContact CG2-ND2 3.27Å; I91-N95 WeakPolarHBondContact O-CB 3.44Å; I91-N95 PolarHBondContact O-N 3.3Å; I91-N95 PolarHBondContact O-ND2 3.39Å; M93-N95 VanDerWaalsContact C-N 3.34Å; M93-N95 PolarHBondContact O-N 2.87Å; N95-L98 PolarHBondContact O-N 2.95Å; N95-Q99 VanDerWaalsContact O-CB 3.28Å; N95-Q99 WeakPolarHBondContact O-CB 3.4Å; N95-Q99 PolarHBondContact O-N 2.72Å
96G96.5Very high95.4Very high6 Ų631.6 Ų31.66%0.06219%0.187CC..Hα-helixtrans-64-39.9176.100000112.5R92 M93 V94 Q99 R100R92-G96 PolarHBondContact O-N 2.79Å; M93-G96 PolarHBondContact O-N 2.83Å; V94-G96 PolarHBondContact O-N 3.27Å; G96-Q99 PolarHBondContact O-N 3.3Å; G96-R100 WeakPolarHBondContact O-CB 3.38Å; G96-R100 PolarHBondContact O-N 3.24Å
97I97.3Very high95.7Very high0 Ų036 Ų360%021%0.207CC..Hα-helixtrans-60.6-53.2173.6-72.3163.6000110.4L78 I80 M93 V94 Q99 R100 T101 L106 I109 L152 V158L78-I97 HydrophobicContact CD1-CD1 4.29Å; L78-I97 HydrophobicContact CD1-CG1 4.47Å; L78-I97 HydrophobicContact CD1-CG2 3.32Å; I80-I97 HydrophobicContact CD1-CD1 3.81Å; M93-I97 HydrophobicContact CE-CD1 4.06Å; M93-I97 HydrophobicContact CG-CD1 3.92Å; M93-I97 WeakPolarHBondContact O-CG1 3.11Å; M93-I97 PolarHBondContact O-N 3.05Å; V94-I97 WeakPolarHBondContact O-CB 3.39Å; V94-I97 PolarHBondContact O-N 2.92Å; I97-Q99 PolarHBondContact O-N 3.06Å; I97-R100 PolarHBondContact O-N 2.94Å; I97-T101 WeakPolarHBondContact O-CB 3.41Å; I97-T101 PolarHBondContact O-N 2.9Å; I97-T101 VanDerWaalsContact O-N 3.08Å; I97-T101 PolarHBondContact O-OG1 2.73Å; I97-L106 HydrophobicContact CG2-CD2 4.25Å; I97-I109 HydrophobicContact CB-CD1 4.44Å; I97-I109 HydrophobicContact CG2-CD1 3.69Å; I97-I109 HydrophobicContact CG2-CG1 4.4Å; I97-L152 HydrophobicContact CD1-CD1 4.08Å; I97-V158 HydrophobicContact CG1-CG1 4.1Å; I97-V158 HydrophobicContact CG1-CG2 4.05Å
98L96.2Very high96.1Very high101 Ų10135 Ų3553%0.52920%0.201SC..Hα-helixtrans-60.7-34.3-179.6-68.8172.3000112.1V94 N95 L106 I109V94-L98 HydrophobicContact CG1-CD1 4.07Å; V94-L98 HydrophobicContact CG1-CG 4.48Å; V94-L98 WeakPolarHBondContact O-CG 3.39Å; V94-L98 PolarHBondContact O-N 3.42Å; N95-L98 PolarHBondContact O-N 2.95Å; L98-L106 HydrophobicContact CD2-CD2 3.86Å; L98-I109 HydrophobicContact CD2-CD1 4.03Å; L98-I109 HydrophobicContact CG-CD1 4.28Å
99Q95.5Very high96.3Very high92 Ų9235.5 Ų35.543%0.4320%0.202SC..Hα-helixtrans-75.2-37.8-179.8-173.8-174.7-3.700113.2N95 G96 I97N95-Q99 VanDerWaalsContact O-CB 3.28Å; N95-Q99 WeakPolarHBondContact O-CB 3.4Å; N95-Q99 PolarHBondContact O-N 2.72Å; G96-Q99 PolarHBondContact O-N 3.3Å; I97-Q99 PolarHBondContact O-N 3.06Å
100R96.5Very high96.4Very high29 Ų2935.4 Ų35.411%0.10920%0.201CC..Hα-helixtrans-110.211.7-168.9-59.9-175.8-168.7100.112.4114.3R52 L55 G96 I97 V158R52-R100 PolarHBondContact O-NH2 2.89Å; L55-R100 VanDerWaalsContact CD1-NH1 3.33Å; G96-R100 WeakPolarHBondContact O-CB 3.38Å; G96-R100 PolarHBondContact O-N 3.24Å; I97-R100 PolarHBondContact O-N 2.94Å; R100-V158 HydrophobicContact CB-CG2 4.28Å; R100-V158 VanDerWaalsContact CD-O 3.25Å; R100-V158 WeakPolarHBondContact CD-O 3.34Å; R100-V158 PolarHBondContact NH1-O 3.31Å
101T97.8Very high96.4Very high11 Ų1135.4 Ų35.47%0.06720%0.201CC..SBendtrans-117.5124.6178.9-500000109.1I97 G103 L106 W162 L163I97-T101 WeakPolarHBondContact O-CB 3.41Å; I97-T101 PolarHBondContact O-N 2.9Å; I97-T101 VanDerWaalsContact O-N 3.08Å; I97-T101 PolarHBondContact O-OG1 2.73Å; T101-G103 PolarHBondContact O-N 2.9Å; T101-L106 HydrophobicContact CG2-CB 3.99Å; T101-W162 PolarHBondContact OG1-NE1 3.06Å; T101-L163 HydrophobicContact CG2-CD2 3.49Å; T101-L163 VanDerWaalsContact CG2-CD2 3.49Å
102P97.1Very high96.3Very high35 Ų3533.3 Ų33.323%0.22719%0.19CC..  trans-55.4127.8174.7-25.634.2000111.3V70 V104 L105 L106 E164V70-P102 HydrophobicContact CG1-CG 4.41Å; P102-V104 HydrophobicContact CB-CG2 4.3Å; P102-V104 PolarHBondContact O-N 3Å; P102-V104 VanDerWaalsContact O-N 3.14Å; P102-L105 HydrophobicContact CB-CD1 4.03Å; P102-L105 HydrophobicContact CB-CG 4.13Å; P102-L105 HydrophobicContact CG-CD1 3.93Å; P102-L105 PolarHBondContact O-N 3.04Å; P102-L106 PolarHBondContact O-N 3.31Å; P102-E164 WeakPolarHBondContact CG-OE1 3.48Å
103G96.4Very high96.2Very high66 Ų6633.1 Ų33.168%0.6819%0.19SC*.THydrogen-bonded Turntrans-61-26-174.400000114.3T101 L105T101-G103 PolarHBondContact O-N 2.9Å; G103-L105 VanDerWaalsContact C-N 3.28Å; G103-L105 PolarHBondContact O-N 3.06Å
104V97.2Very high95.8Very high89 Ų8933.3 Ų33.354%0.53919%0.191SC..THydrogen-bonded Turntrans-68.3-26.3175.4-60.70000113V70 P102V70-V104 HydrophobicContact CB-CG2 4.22Å; V70-V104 HydrophobicContact CG2-CG2 4.15Å; P102-V104 HydrophobicContact CB-CG2 4.3Å; P102-V104 PolarHBondContact O-N 3Å; P102-V104 VanDerWaalsContact O-N 3.14Å
105L98.3Very high95.4Very high1 Ų133.6 Ų33.61%0.00519%0.194CC..THydrogen-bonded Turntrans-89.8-32.7180-58.3178.6000111.9V70 L73 N75 V76 P102 G103 H107 L163 E164 L167V70-L105 HydrophobicContact CG1-CD1 4.46Å; V70-L105 VanDerWaalsContact O-CD2 3.3Å; V70-L105 WeakPolarHBondContact O-CD2 3.49Å; L73-L105 HydrophobicContact CB-CD2 3.65Å; L73-L105 HydrophobicContact CD1-CD1 4.48Å; N75-L105 CarbonylContact C-O 3.47Å; N75-L105 VanDerWaalsContact CA-O 3.25Å; N75-L105 WeakPolarHBondContact CA-O 3.45Å; N75-L105 WeakPolarHBondContact CB-O 3.34Å; V76-L105 PolarHBondContact N-O 2.73Å; P102-L105 HydrophobicContact CB-CD1 4.03Å; P102-L105 HydrophobicContact CB-CG 4.13Å; P102-L105 HydrophobicContact CG-CD1 3.93Å; P102-L105 PolarHBondContact O-N 3.04Å; G103-L105 VanDerWaalsContact C-N 3.28Å; G103-L105 PolarHBondContact O-N 3.06Å; L105-H107 PolarHBondContact O-N 3.29Å; L105-L163 HydrophobicContact CB-CD2 4.04Å; L105-L163 HydrophobicContact CD1-CD2 4.27Å; L105-E164 HydrophobicContact CD1-CG 4.14Å; L105-L167 HydrophobicContact CB-CD1 4.44Å; L105-L167 HydrophobicContact CD1-CD1 4.02Å; L105-L167 HydrophobicContact CD2-CD1 4.17Å; L105-L167 HydrophobicContact CG-CD1 4.44Å
106L98.2Very high94.9Very high31 Ų3132.1 Ų32.116%0.16219%0.186CC..EExtended strand (participates in β ladder)trans-82.5101.7-175.7-178.159.1000111.2V76 L78 I97 L98 T101 P102 I109V76-L106 HydrophobicContact CG2-CD1 4.19Å; L78-L106 HydrophobicContact CD1-CD1 3.57Å; L78-L106 HydrophobicContact CG-CD1 4.21Å; I97-L106 HydrophobicContact CG2-CD2 4.25Å; L98-L106 HydrophobicContact CD2-CD2 3.86Å; T101-L106 HydrophobicContact CG2-CB 3.99Å; P102-L106 PolarHBondContact O-N 3.31Å; L106-I109 HydrophobicContact CD1-CG1 3.98Å; L106-I109 HydrophobicContact CD2-CD1 4.18Å; L106-I109 HydrophobicContact CD2-CG1 4.28Å
107H97.8Very high94.2Very high96 Ų9637.7 Ų37.744%0.44422%0.215SC..EExtended strand (participates in β ladder)trans-78.5-48.5177.4-17074.6000111.9N75 V76 L105 V145N75-H107 HydrophobicContact CB-CB 4.23Å; V76-H107 WeakPolarHBondContact O-CA 3.47Å; V76-H107 WeakPolarHBondContact O-CB 3.38Å; V76-H107 PolarHBondContact O-N 3.14Å; L105-H107 PolarHBondContact O-N 3.29Å; H107-V145 VanDerWaalsContact CD2-CG2 3.46Å; H107-V145 WeakPolarHBondContact CD2-CG2 3.4Å; H107-V145 WeakPolarHBondContact NE2-CG2 3.35Å
108E97.4Very high92.9Very high36 Ų3641 Ų4117%0.16823%0.233CC..EExtended strand (participates in β ladder)trans-159.6162.9-179.467-170.3152.100112.4V76 S77 L78 L110 A144 V145V76-E108 PolarHBondContact O-N 3.01Å; S77-E108 WeakPolarHBondContact CB-OE1 3.32Å; S77-E108 WeakPolarHBondContact OG-CG 3.29Å; S77-E108 PolarHBondContact OG-OE1 3.35Å; L78-E108 PolarHBondContact N-O 2.84Å; E108-L110 HydrophobicContact CG-CD2 4.36Å; E108-L110 HydrophobicContact CG-CG 4.23Å; E108-L110 WeakPolarHBondContact OE2-CD2 3.2Å; E108-A144 VanDerWaalsContact OE1-CA 3.29Å; E108-A144 WeakPolarHBondContact OE1-CA 3.33Å; E108-V145 WeakPolarHBondContact OE1-CG2 3.43Å; E108-V145 PolarHBondContact OE1-N 3.29Å
109I96.7Very high91.1Very high25 Ų2539.6 Ų39.613%0.12824%0.242CC..EExtended strand (participates in β ladder)trans-122.6108169.7-54.9175.4000108.3L78 I80 V94 I97 L98 L106 L111 H125L78-I109 HydrophobicContact CB-CG1 4.3Å; L78-I109 HydrophobicContact CB-CG2 4.36Å; L78-I109 HydrophobicContact CD1-CG1 4.26Å; L78-I109 CarbonylContact O-C 3.58Å; I80-I109 HydrophobicContact CD1-CG2 3.75Å; V94-I109 HydrophobicContact CG1-CD1 4.29Å; I97-I109 HydrophobicContact CB-CD1 4.44Å; I97-I109 HydrophobicContact CG2-CD1 3.69Å; I97-I109 HydrophobicContact CG2-CG1 4.4Å; L98-I109 HydrophobicContact CD2-CD1 4.03Å; L98-I109 HydrophobicContact CG-CD1 4.28Å; L106-I109 HydrophobicContact CD1-CG1 3.98Å; L106-I109 HydrophobicContact CD2-CD1 4.18Å; L106-I109 HydrophobicContact CD2-CG1 4.28Å; I109-L111 HydrophobicContact CG2-CD2 3.96Å; I109-L111 HydrophobicContact CG2-CG 4.32Å; I109-H125 PolarHBondContact O-CE1 2.94Å; I109-H125 PolarHBondContact O-ND1 3.38Å; I109-H125 VanDerWaalsContact O-ND1 3.08Å
110L95.5Very high89.3Confident4 Ų442.4 Ų42.42%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-88.6107.2175.3-60.7-176.6000110.3L78 I79 I80 E108 I112 H125 G140 E143 A144L78-L110 PolarHBondContact O-N 3.22Å; I79-L110 HydrophobicContact CG1-CD1 4.31Å; I80-L110 PolarHBondContact N-O 2.78Å; E108-L110 HydrophobicContact CG-CD2 4.36Å; E108-L110 HydrophobicContact CG-CG 4.23Å; E108-L110 WeakPolarHBondContact OE2-CD2 3.2Å; L110-I112 HydrophobicContact CB-CD1 4.03Å; L110-H125 HydrophobicContact CD2-CB 3.78Å; L110-H125 WeakPolarHBondContact CD2-CD2 3.35Å; L110-H125 VanDerWaalsContact CD2-CG 3.48Å; L110-G140 VanDerWaalsContact CD1-O 3.28Å; L110-G140 WeakPolarHBondContact CD1-O 3.4Å; L110-E143 HydrophobicContact CD1-CB 4.15Å; L110-A144 HydrophobicContact CD1-CB 3.8Å
111L94.3Very high87.3Confident9 Ų948 Ų485%0.04728%0.276CS..EExtended strand (participates in β ladder)trans-91.8108.5171-61.4-174.9000108.9I80 Y82 L90 V94 I109 F123 H125I80-L111 HydrophobicContact CB-CD2 3.72Å; I80-L111 HydrophobicContact CD1-CD2 3.74Å; I80-L111 HydrophobicContact CG1-CD2 4.25Å; I80-L111 HydrophobicContact CG2-CD2 4.14Å; I80-L111 WeakPolarHBondContact O-CA 3.48Å; Y82-L111 HydrophobicContact CE1-CB 4.02Å; L90-L111 HydrophobicContact CD1-CD2 4.3Å; V94-L111 HydrophobicContact CG2-CD1 4.21Å; V94-L111 HydrophobicContact CG2-CD2 4.16Å; I109-L111 HydrophobicContact CG2-CD2 3.96Å; I109-L111 HydrophobicContact CG2-CG 4.32Å; L111-F123 WeakPolarHBondContact CB-O 3.43Å; L111-F123 HydrophobicContact CD1-CB 3.54Å; L111-F123 HydrophobicContact CD1-CG 4.45Å; L111-F123 WeakPolarHBondContact CD1-O 3.16Å; L111-H125 PolarHBondContact O-N 2.92Å
112I92.7Very high85.3Confident1 Ų152 Ų521%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-103.3113.3-175.6-48.9-54.9000109.9I79 I80 N81 Y82 L110 V128 A136 F139I79-I112 HydrophobicContact CG2-CG1 4.29Å; I80-I112 PolarHBondContact O-N 2.86Å; N81-I112 WeakPolarHBondContact CA-O 3.23Å; N81-I112 WeakPolarHBondContact OD1-CB 3.38Å; N81-I112 WeakPolarHBondContact OD1-CG1 3.29Å; Y82-I112 WeakPolarHBondContact CD1-O 3.27Å; Y82-I112 PolarHBondContact N-O 3.12Å; L110-I112 HydrophobicContact CB-CD1 4.03Å; I112-V128 HydrophobicContact CG2-CG1 4.38Å; I112-V128 HydrophobicContact CG2-CG2 4.2Å; I112-A136 HydrophobicContact CG2-CB 4.09Å; I112-F139 HydrophobicContact CD1-CD1 3.99Å; I112-F139 HydrophobicContact CD1-CE1 4.05Å; I112-F139 HydrophobicContact CG2-CD1 3.87Å; I112-F139 HydrophobicContact CG2-CE1 4.46Å
113D90.8Very high83.5Confident2 Ų255.3 Ų55.31%0.01131%0.307CS..EExtended strand (participates in β ladder)trans-85.4113.8175.7179.934.4000111.5Y82 S115 S116 F124 G126 R127 V128Y82-D113 HydrophobicContact CE1-CB 4.37Å; Y82-D113 HydrophobicContact CE2-CB 4.4Å; D113-S115 PolarHBondContact O-N 2.91Å; D113-S115 PolarHBondContact OD1-N 3.48Å; D113-S116 WeakPolarHBondContact OD1-CB 3.26Å; D113-S116 PolarHBondContact OD1-N 3.01Å; D113-S116 PolarHBondContact OD1-OG 3.17Å; D113-S116 PolarHBondContact OD2-N 2.84Å; D113-F124 HydrophobicContact CB-CD1 3.56Å; D113-F124 HydrophobicContact CB-CE1 3.31Å; D113-F124 HydrophobicContact CB-CZ 4.09Å; D113-G126 PolarHBondContact N-O 3.26Å; D113-G126 VanDerWaalsContact N-O 3.16Å; D113-R127 HydrophobicContact CB-CB 4.48Å; D113-R127 HydrophobicContact CB-CG 4.23Å; D113-R127 WeakPolarHBondContact OD2-CG 3.43Å; D113-R127 IonicContact OD2-NE 3.31Å; D113-R127 PolarHBondContact OD2-NE 3.46Å; D113-R127 VanDerWaalsContact OD2-NE 3.12Å; D113-V128 WeakPolarHBondContact O-CG2 3.23Å; D113-V128 PolarHBondContact O-N 3.4Å
114D89.1Confident81.8Confident5 Ų555 Ų553%0.02729%0.288CS..SBendtrans-83.147174.2-174.438.5000111.7Y82 Y83 V128 R130 E131 G132 A136Y82-D114 PolarHBondContact O-N 2.96Å; Y83-D114 WeakPolarHBondContact CD2-O 3.47Å; D114-V128 HydrophobicContact CB-CG2 4.43Å; D114-R130 WeakPolarHBondContact O-CD 3.34Å; D114-R130 WeakPolarHBondContact OD1-CA 3.46Å; D114-R130 WeakPolarHBondContact OD2-CD 3.42Å; D114-R130 IonicContact OD2-CZ 3.23Å; D114-R130 IonicContact OD2-NE 3.77Å; D114-R130 IonicContact OD2-NH1 2.9Å; D114-R130 PolarHBondContact OD2-NH1 3.41Å; D114-E131 PolarHBondContact OD1-N 2.88Å; D114-G132 PolarHBondContact OD1-N 3.26Å; D114-G132 WeakPolarHBondContact OD2-CA 3.43Å; D114-G132 PolarHBondContact OD2-N 2.71Å; D114-G132 VanDerWaalsContact OD2-N 3.11Å; D114-A136 HydrophobicContact CB-CB 4.37Å
115S86.9Confident80.1Confident33 Ų3356.5 Ų56.523%0.23129%0.289CS..  trans67.552.8177.5-150.30000115.4Y83 D113 V128Y83-S115 VanDerWaalsContact CE2-O 3.29Å; Y83-S115 WeakPolarHBondContact CE2-O 3.47Å; D113-S115 PolarHBondContact O-N 2.91Å; D113-S115 PolarHBondContact OD1-N 3.48Å; S115-V128 PolarHBondContact N-O 2.95Å
116S85.6Confident78.5Confident3 Ų357.1 Ų57.12%0.02130%0.295CS..  trans-59.4144.2175.8-61.30000112.6N84 D113 N118 R127N84-S116 PolarHBondContact N-OG 3.43Å; N84-S116 WeakPolarHBondContact OD1-CA 3.36Å; D113-S116 WeakPolarHBondContact OD1-CB 3.26Å; D113-S116 PolarHBondContact OD1-N 3.01Å; D113-S116 PolarHBondContact OD1-OG 3.17Å; D113-S116 PolarHBondContact OD2-N 2.84Å; S116-N118 WeakPolarHBondContact CB-OD1 3.26Å; S116-R127 PolarHBondContact O-NH2 3.33Å
117N82Confident77.1Confident123 Ų12362.3 Ų62.366%0.65831%0.312SS*.SBendtrans-89-14.9-178.2-62.4-9.4000112.6N84 G119N84-N117 PolarHBondContact OD1-N 3.35Å; N117-G119 PolarHBondContact O-N 3.23Å; N117-G119 VanDerWaalsContact O-N 3.15Å
118N69.7Low75.8Confident70 Ų7058.6 Ų58.637%0.37430%0.296SS..SBendtrans-77.66.8-169.861.36.2000114.4S116 R120S116-N118 WeakPolarHBondContact CB-OD1 3.26Å; N118-R120 WeakPolarHBondContact O-CG 3.42Å; N118-R120 PolarHBondContact O-N 2.63Å
119G57.2Low74.9Confident70 Ų7064.7 Ų64.772%0.72232%0.322SS*.  trans61.614.4166.200000115.5N117N117-G119 PolarHBondContact O-N 3.23Å; N117-G119 VanDerWaalsContact O-N 3.15Å
120R58Low74.1Confident151 Ų15166.3 Ų66.357%0.5733%0.327SS*.  trans-103.8102.8-175.9-76.4-178.6-171.5-144.50.5109.5N118 L122 F124N118-R120 WeakPolarHBondContact O-CG 3.42Å; N118-R120 PolarHBondContact O-N 2.63Å; R120-L122 HydrophobicContact CB-CD1 3.92Å; R120-L122 HydrophobicContact CB-CG 4.35Å; R120-L122 HydrophobicContact CG-CD1 4.16Å; R120-L122 PolarHBondContact O-N 3.12Å; R120-F124 WeakPolarHBondContact O-CZ 3.27Å
121E55.7Low73.5Confident147 Ų14769.1 Ų69.169%0.68734%0.34SS*.  trans-78.526.7-175.9-57.5-171.6147.300115.6F123 F124E121-F123 PolarHBondContact O-N 3.02Å; E121-F123 VanDerWaalsContact O-N 3.15Å; E121-F124 HydrophobicContact CB-CD2 4.14Å; E121-F124 HydrophobicContact CB-CE2 3.65Å; E121-F124 HydrophobicContact CG-CE2 3.97Å
122L55.2Low73.1Confident96 Ų9668.7 Ų68.750%0.50334%0.338SS..THydrogen-bonded Turntrans-76.4-14.3-147.5-77.5160.4000115.5L87 R120L87-L122 HydrophobicContact CD2-CD1 4.26Å; R120-L122 HydrophobicContact CB-CD1 3.92Å; R120-L122 HydrophobicContact CB-CG 4.35Å; R120-L122 HydrophobicContact CG-CD1 4.16Å; R120-L122 PolarHBondContact O-N 3.12Å
123F58.3Low73.1Confident103 Ų10370.2 Ų70.245%0.45235%0.346SS..THydrogen-bonded Turntrans-154.828.4-171.6-58.5-79.2000116.8L87 I91 L111 E121L87-F123 HydrophobicContact CD1-CE2 4.12Å; I91-F123 HydrophobicContact CD1-CE2 4.31Å; I91-F123 HydrophobicContact CD1-CZ 4.46Å; I91-F123 HydrophobicContact CG1-CE2 4.23Å; I91-F123 HydrophobicContact CG1-CZ 4.48Å; L111-F123 WeakPolarHBondContact CB-O 3.43Å; L111-F123 HydrophobicContact CD1-CB 3.54Å; L111-F123 HydrophobicContact CD1-CG 4.45Å; L111-F123 WeakPolarHBondContact CD1-O 3.16Å; E121-F123 PolarHBondContact O-N 3.02Å; E121-F123 VanDerWaalsContact O-N 3.15Å
124F61.4Low73.2Confident60 Ų6070.2 Ų70.226%0.26335%0.345SS..  trans-83.7136.7-167.7-48.4-62.7000114.8Y82 D113 R120 E121Y82-F124 HydrophobicContact CE1-CD1 4.4Å; Y82-F124 HydrophobicContact CE1-CE1 4.44Å; Y82-F124 HydrophobicContact CE2-CE1 4.03Å; Y82-F124 AromaticContact CZ-CD1 3.84Å; Y82-F124 AromaticContact CZ-CE1 3.52Å; Y82-F124 WeakPolarHBondContact OH-CD1 3.48Å; Y82-F124 WeakPolarHBondContact OH-CE1 3.22Å; D113-F124 HydrophobicContact CB-CD1 3.56Å; D113-F124 HydrophobicContact CB-CE1 3.31Å; D113-F124 HydrophobicContact CB-CZ 4.09Å; R120-F124 WeakPolarHBondContact O-CZ 3.27Å; E121-F124 HydrophobicContact CB-CD2 4.14Å; E121-F124 HydrophobicContact CB-CE2 3.65Å; E121-F124 HydrophobicContact CG-CE2 3.97Å
125H62.5Low73.4Confident121 Ų12172.9 Ų72.956%0.5636%0.355SS*.SBendtrans-83.6-33.2154.1-84.480.7000111.2I109 L110 L111I109-H125 PolarHBondContact O-CE1 2.94Å; I109-H125 PolarHBondContact O-ND1 3.38Å; I109-H125 VanDerWaalsContact O-ND1 3.08Å; L110-H125 HydrophobicContact CD2-CB 3.78Å; L110-H125 WeakPolarHBondContact CD2-CD2 3.35Å; L110-H125 VanDerWaalsContact CD2-CG 3.48Å; L111-H125 PolarHBondContact O-N 2.92Å
126G64.4Low73.7Confident13 Ų1371.3 Ų71.313%0.13434%0.344CS..EExtended strand (participates in β ladder)trans-162.2151.5177.200000112.5D113D113-G126 PolarHBondContact N-O 3.26Å; D113-G126 VanDerWaalsContact N-O 3.16Å
127R69.1Low74.2Confident141 Ų14171.4 Ų71.453%0.53234%0.344SS..EExtended strand (participates in β ladder)trans-116.3123.8173.3-174.2173.8-166.1-160.2-3.8108.5D113 S116D113-R127 HydrophobicContact CB-CB 4.48Å; D113-R127 HydrophobicContact CB-CG 4.23Å; D113-R127 WeakPolarHBondContact OD2-CG 3.43Å; D113-R127 IonicContact OD2-NE 3.31Å; D113-R127 PolarHBondContact OD2-NE 3.46Å; D113-R127 VanDerWaalsContact OD2-NE 3.12Å; S116-R127 PolarHBondContact O-NH2 3.33Å
128V70.1Confident74.9Confident18 Ų1865.9 Ų65.911%0.10932%0.315CS..  trans-99.3160.7173.7-63.30000109.6I112 D113 D114 S115 E131 A136 F139I112-V128 HydrophobicContact CG2-CG1 4.38Å; I112-V128 HydrophobicContact CG2-CG2 4.2Å; D113-V128 WeakPolarHBondContact O-CG2 3.23Å; D113-V128 PolarHBondContact O-N 3.4Å; D114-V128 HydrophobicContact CB-CG2 4.43Å; S115-V128 PolarHBondContact N-O 2.95Å; V128-E131 HydrophobicContact CB-CG 4.43Å; V128-A136 HydrophobicContact CG2-CB 4.16Å; V128-F139 HydrophobicContact CG1-CB 3.99Å; V128-F139 HydrophobicContact CG1-CD1 3.53Å; V128-F139 HydrophobicContact CG1-CD2 3.77Å; V128-F139 HydrophobicContact CG1-CE1 3.91Å; V128-F139 HydrophobicContact CG1-CE2 4.13Å; V128-F139 HydrophobicContact CG1-CG 3.46Å; V128-F139 VanDerWaalsContact CG1-CG 3.46Å; V128-F139 HydrophobicContact CG1-CZ 4.2Å
129K78.5Confident76.1Confident164 Ų16465.6 Ų65.671%0.71331%0.31SS*.  trans-58.1167163.6-71.4179.9178.8176.30108.3E131K129-E131 HydrophobicContact CB-CG 4.2Å; K129-E131 VanDerWaalsContact O-CG 3.31Å; K129-E131 WeakPolarHBondContact O-CG 3.15Å; K129-E131 PolarHBondContact O-N 3.44Å
130R79.6Confident77.9Confident58 Ų5862.2 Ų62.222%0.21928%0.275CS..SBendtrans-65.685.4173.6179.653.5170.6-170.7-9.6109.3Y83 D114 P296Y83-R130 VanDerWaalsContact CD1-NH1 3.3Å; D114-R130 WeakPolarHBondContact O-CD 3.34Å; D114-R130 WeakPolarHBondContact OD1-CA 3.46Å; D114-R130 WeakPolarHBondContact OD2-CD 3.42Å; D114-R130 IonicContact OD2-CZ 3.23Å; D114-R130 IonicContact OD2-NE 3.77Å; D114-R130 IonicContact OD2-NH1 2.9Å; D114-R130 PolarHBondContact OD2-NH1 3.41Å; R130-P296 HydrophobicContact CG-CG 4.46Å
131E82.5Confident79.8Confident64 Ų6455 Ų5530%0.29925%0.248SC..  trans-102.6-23.2-173-69.9-60.9164.400110.9D114 V128 K129 R135D114-E131 PolarHBondContact OD1-N 2.88Å; V128-E131 HydrophobicContact CB-CG 4.43Å; K129-E131 HydrophobicContact CB-CG 4.2Å; K129-E131 VanDerWaalsContact O-CG 3.31Å; K129-E131 WeakPolarHBondContact O-CG 3.15Å; K129-E131 PolarHBondContact O-N 3.44Å; E131-R135 HydrophobicContact CB-CB 3.74Å; E131-R135 PolarHBondContact O-NE 3.18Å; E131-R135 PolarHBondContact O-NH2 3.32Å; E131-R135 VanDerWaalsContact O-NH2 3.13Å; E131-R135 IonicContact OE2-CZ 3.74Å; E131-R135 IonicContact OE2-NE 2.81Å; E131-R135 PolarHBondContact OE2-NE 2.99Å; E131-R135 IonicContact OE2-NH2 2.71Å
132G86.8Confident81.8Confident0 Ų055 Ų550%024%0.242CC..BIsolated β-bridgetrans98.6168.4-178.100000114.1D114 I134 R135 A136D114-G132 PolarHBondContact OD1-N 3.26Å; D114-G132 WeakPolarHBondContact OD2-CA 3.43Å; D114-G132 PolarHBondContact OD2-N 2.71Å; D114-G132 VanDerWaalsContact OD2-N 3.11Å; G132-I134 VanDerWaalsContact C-N 3.26Å; G132-I134 PolarHBondContact O-N 3.37Å; G132-R135 PolarHBondContact O-N 3.4Å; G132-A136 WeakPolarHBondContact O-CB 3.49Å; G132-A136 PolarHBondContact O-N 3.04Å
133L91Very high83.7Confident33 Ų3355.7 Ų55.717%0.17324%0.243CC..Hα-helixtrans-50.7-47.6179.2177.465.4000111.6N81 R137 I256N81-L133 HydrophobicContact CB-CD1 4.29Å; N81-L133 PolarHBondContact ND2-O 3.44Å; N81-L133 VanDerWaalsContact ND2-O 3.14Å; L133-R137 HydrophobicContact CD1-CG 4.44Å; L133-R137 WeakPolarHBondContact O-CG 3.49Å; L133-R137 PolarHBondContact O-N 3.23Å; L133-I256 VanDerWaalsContact CB-O 3.29Å; L133-I256 WeakPolarHBondContact CB-O 3.5Å; L133-I256 PolarHBondContact N-O 3.38Å
134I93Very high85.6Confident1 Ų150.8 Ų50.81%0.00522%0.221CC..Hα-helixtrans-64.2-55.9-171.5-52.6176.3000110.7G132 R137 I138 F250 M254 E260G132-I134 VanDerWaalsContact C-N 3.26Å; G132-I134 PolarHBondContact O-N 3.37Å; I134-R137 WeakPolarHBondContact O-CB 3.36Å; I134-R137 PolarHBondContact O-N 2.04Å; I134-I138 WeakPolarHBondContact O-CG1 3.47Å; I134-I138 PolarHBondContact O-N 2.78Å; I134-I138 VanDerWaalsContact O-N 3.09Å; I134-F250 HydrophobicContact CG2-CB 3.67Å; I134-F250 HydrophobicContact CG2-CG 4.32Å; I134-M254 HydrophobicContact CD1-CB 3.38Å; I134-M254 HydrophobicContact CD1-CG 4.42Å; I134-M254 HydrophobicContact CD1-SD 4.25Å; I134-M254 HydrophobicContact CG2-CB 4.45Å; I134-E260 HydrophobicContact CD1-CB 3.73Å; I134-E260 HydrophobicContact CD1-CG 4.31Å; I134-E260 HydrophobicContact CG1-CB 3.87Å; I134-E260 HydrophobicContact CG1-CG 3.98Å; I134-E260 HydrophobicContact CG2-CB 4.43Å
135R94.4Very high87.3Confident62 Ų6252.4 Ų52.423%0.23424%0.236CC..Hα-helixtrans-71.4-31.9-178.5-74-166.4-70-91.82.3112.4E131 G132 R137 I138 F139 S252 M254 D255E131-R135 HydrophobicContact CB-CB 3.74Å; E131-R135 PolarHBondContact O-NE 3.18Å; E131-R135 PolarHBondContact O-NH2 3.32Å; E131-R135 VanDerWaalsContact O-NH2 3.13Å; E131-R135 IonicContact OE2-CZ 3.74Å; E131-R135 IonicContact OE2-NE 2.81Å; E131-R135 PolarHBondContact OE2-NE 2.99Å; E131-R135 IonicContact OE2-NH2 2.71Å; G132-R135 PolarHBondContact O-N 3.4Å; R135-R137 VanDerWaalsContact C-N 3.32Å; R135-R137 PolarHBondContact O-N 3.47Å; R135-I138 PolarHBondContact O-N 2.88Å; R135-F139 PolarHBondContact O-N 2.81Å; R135-S252 PolarHBondContact NH1-O 2.89Å; R135-M254 PolarHBondContact NH1-O 3.43Å; R135-D255 IonicContact CZ-OD1 2.76Å; R135-D255 IonicContact NH1-OD1 2.8Å; R135-D255 PolarHBondContact NH1-OD1 3.25Å; R135-D255 IonicContact NH2-OD1 2.85Å; R135-D255 PolarHBondContact NH2-OD1 3.05Å
136A93.4Very high89Confident0 Ų046.8 Ų46.80%021%0.21CC..Hα-helixtrans-63.3-37170.100000111.9N81 I112 D114 V128 G132 F139 G140N81-A136 HydrophobicContact CB-CB 4.27Å; N81-A136 VanDerWaalsContact ND2-CB 3.33Å; N81-A136 WeakPolarHBondContact ND2-CB 3.41Å; I112-A136 HydrophobicContact CG2-CB 4.09Å; D114-A136 HydrophobicContact CB-CB 4.37Å; V128-A136 HydrophobicContact CG2-CB 4.16Å; G132-A136 WeakPolarHBondContact O-CB 3.49Å; G132-A136 PolarHBondContact O-N 3.04Å; A136-F139 PolarHBondContact O-N 3.32Å; A136-G140 PolarHBondContact O-N 3.4Å
137R95.6Very high90.6Very high4 Ų451.2 Ų51.22%0.01523%0.227CC..Hα-helixtrans-67.1-41.4175.9-78.8-168.6-179.21430.9110.7N81 L133 I134 R135 F139 G140 A141 F151 D153 G234 G235 F250 E260N81-R137 VanDerWaalsContact ND2-CA 3.3Å; N81-R137 WeakPolarHBondContact ND2-CA 3.21Å; N81-R137 WeakPolarHBondContact ND2-CG 3.48Å; N81-R137 PolarHBondContact ND2-N 3.45Å; L133-R137 HydrophobicContact CD1-CG 4.44Å; L133-R137 WeakPolarHBondContact O-CG 3.49Å; L133-R137 PolarHBondContact O-N 3.23Å; I134-R137 WeakPolarHBondContact O-CB 3.36Å; I134-R137 PolarHBondContact O-N 2.04Å; R135-R137 VanDerWaalsContact C-N 3.32Å; R135-R137 PolarHBondContact O-N 3.47Å; R137-F139 VanDerWaalsContact C-N 3.33Å; R137-G140 PolarHBondContact O-N 2.95Å; R137-A141 VanDerWaalsContact O-CB 3.28Å; R137-A141 WeakPolarHBondContact O-CB 3.15Å; R137-A141 PolarHBondContact O-N 2.96Å; R137-F151 HydrophobicContact CB-CD1 4.01Å; R137-F151 HydrophobicContact CB-CE1 3.72Å; R137-F151 HydrophobicContact CG-CD1 3.68Å; R137-F151 HydrophobicContact CG-CE1 3.95Å; R137-D153 IonicContact NH2-OD1 3.89Å; R137-D153 PolarHBondContact NH2-OD1 3.37Å; R137-G234 VanDerWaalsContact CZ-O 3.27Å; R137-G234 PolarHBondContact NH1-O 2.91Å; R137-G234 PolarHBondContact NH2-O 3.35Å; R137-G235 PolarHBondContact NH2-O 3.35Å; R137-F250 HydrophobicContact CB-CD2 4.05Å; R137-F250 HydrophobicContact CB-CE2 3.95Å; R137-F250 HydrophobicContact CG-CE2 4.45Å; R137-E260 IonicContact NH1-OE1 3.81Å
138I96.4Very high92Very high8 Ų844.5 Ų44.54%0.04120%0.202CC..Hα-helixtrans-59-46.3174.1-66.7169.8000110.5I134 R135 A141 R142 E249 F250I134-I138 WeakPolarHBondContact O-CG1 3.47Å; I134-I138 PolarHBondContact O-N 2.78Å; I134-I138 VanDerWaalsContact O-N 3.09Å; R135-I138 PolarHBondContact O-N 2.88Å; I138-A141 PolarHBondContact O-N 3.43Å; I138-R142 WeakPolarHBondContact O-CG 3.11Å; I138-R142 PolarHBondContact O-N 3.3Å; I138-R142 VanDerWaalsContact O-N 3.1Å; I138-E249 HydrophobicContact CG1-CB 4.41Å; I138-E249 VanDerWaalsContact CG2-OE2 3.26Å; I138-E249 WeakPolarHBondContact CG2-OE2 3.4Å; I138-F250 HydrophobicContact CD1-CB 3.98Å; I138-F250 WeakPolarHBondContact CD1-O 3.47Å; I138-F250 HydrophobicContact CG1-CB 3.97Å; I138-F250 HydrophobicContact CG1-CD2 4.44Å
139F95.4Very high93.4Very high63 Ų6343.6 Ų43.628%0.27620%0.197SC..Hα-helixtrans-58.2-53.9176.2176.7-94.4000111.4I112 V128 R135 A136 R137 A141 R142 E143I112-F139 HydrophobicContact CD1-CD1 3.99Å; I112-F139 HydrophobicContact CD1-CE1 4.05Å; I112-F139 HydrophobicContact CG2-CD1 3.87Å; I112-F139 HydrophobicContact CG2-CE1 4.46Å; V128-F139 HydrophobicContact CG1-CB 3.99Å; V128-F139 HydrophobicContact CG1-CD1 3.53Å; V128-F139 HydrophobicContact CG1-CD2 3.77Å; V128-F139 HydrophobicContact CG1-CE1 3.91Å; V128-F139 HydrophobicContact CG1-CE2 4.13Å; V128-F139 HydrophobicContact CG1-CG 3.46Å; V128-F139 VanDerWaalsContact CG1-CG 3.46Å; V128-F139 HydrophobicContact CG1-CZ 4.2Å; R135-F139 PolarHBondContact O-N 2.81Å; A136-F139 PolarHBondContact O-N 3.32Å; R137-F139 VanDerWaalsContact C-N 3.33Å; F139-A141 VanDerWaalsContact C-N 3.27Å; F139-A141 PolarHBondContact O-N 3.47Å; F139-R142 PolarHBondContact O-N 3.33Å; F139-E143 HydrophobicContact CD1-CG 4.27Å; F139-E143 HydrophobicContact CE1-CG 3.81Å; F139-E143 HydrophobicContact CE2-CG 4.11Å; F139-E143 HydrophobicContact CZ-CG 3.72Å; F139-E143 PolarHBondContact O-N 2.92Å; F139-E143 VanDerWaalsContact O-N 3.07Å
140G95.7Very high94.3Very high0 Ų035.9 Ų35.90%016%0.163CC..Hα-helixtrans-58.4-37.617800000113.3L110 A136 R137 R142 E143 A144L110-G140 VanDerWaalsContact CD1-O 3.28Å; L110-G140 WeakPolarHBondContact CD1-O 3.4Å; A136-G140 PolarHBondContact O-N 3.4Å; R137-G140 PolarHBondContact O-N 2.95Å; G140-R142 VanDerWaalsContact C-N 3.31Å; G140-R142 PolarHBondContact O-N 3.39Å; G140-E143 PolarHBondContact O-N 2.86Å; G140-A144 WeakPolarHBondContact O-CB 3.35Å; G140-A144 PolarHBondContact O-N 2.62Å
141A97.4Very high95.2Very high0 Ų033.1 Ų33.10%015%0.153CC..Hα-helixtrans-65.3-32.5176.900000113.5I79 R137 I138 F139 L149 F151 F244I79-A141 HydrophobicContact CD1-CB 4.17Å; R137-A141 VanDerWaalsContact O-CB 3.28Å; R137-A141 WeakPolarHBondContact O-CB 3.15Å; R137-A141 PolarHBondContact O-N 2.96Å; I138-A141 PolarHBondContact O-N 3.43Å; F139-A141 VanDerWaalsContact C-N 3.27Å; F139-A141 PolarHBondContact O-N 3.47Å; A141-L149 HydrophobicContact CB-CD1 3.66Å; A141-F151 HydrophobicContact CB-CE1 4.45Å; A141-F151 HydrophobicContact CB-CZ 4.1Å; A141-F244 HydrophobicContact CB-CD1 4.06Å; A141-F244 HydrophobicContact CB-CE1 3.53Å; A141-F244 HydrophobicContact CB-CZ 4.39Å
142R97.1Very high96Very high146 Ų14630.2 Ų30.255%0.55114%0.139SC*.Hα-helixtrans-77.8-35.7178-70.7173.4-179-179.73.2112.1I138 F139 G140 E249I138-R142 WeakPolarHBondContact O-CG 3.11Å; I138-R142 PolarHBondContact O-N 3.3Å; I138-R142 VanDerWaalsContact O-N 3.1Å; F139-R142 PolarHBondContact O-N 3.33Å; G140-R142 VanDerWaalsContact C-N 3.31Å; G140-R142 PolarHBondContact O-N 3.39Å; R142-E249 IonicContact CZ-OE2 3.98Å; R142-E249 VanDerWaalsContact CZ-OE2 3.31Å; R142-E249 IonicContact NE-OE1 2.91Å; R142-E249 PolarHBondContact NE-OE1 3.03Å; R142-E249 IonicContact NE-OE2 3.64Å; R142-E249 PolarHBondContact NE-OE2 3.23Å; R142-E249 VanDerWaalsContact NE-OE2 3.1Å; R142-E249 IonicContact NH2-OE1 2.71Å; R142-E249 IonicContact NH2-OE2 3Å; R142-E249 PolarHBondContact NH2-OE2 3.15Å
143E96.2Very high96.4Very high111 Ų11131.7 Ų31.752%0.51915%0.147SC..Hα-helixtrans-74.9-30.8175.9-63.4-57.5123.600112.9L110 F139 G140L110-E143 HydrophobicContact CD1-CB 4.15Å; F139-E143 HydrophobicContact CD1-CG 4.27Å; F139-E143 HydrophobicContact CE1-CG 3.81Å; F139-E143 HydrophobicContact CE2-CG 4.11Å; F139-E143 HydrophobicContact CZ-CG 3.72Å; F139-E143 PolarHBondContact O-N 2.92Å; F139-E143 VanDerWaalsContact O-N 3.07Å; G140-E143 PolarHBondContact O-N 2.86Å
144A97.4Very high96.6Very high0 Ų030.5 Ų30.50%014%0.142CC..  trans-56.5141179.500000112.7S77 I79 E108 L110 G140 L149 K241S77-A144 VanDerWaalsContact CB-CB 3.49Å; I79-A144 HydrophobicContact CD1-CB 4.38Å; E108-A144 VanDerWaalsContact OE1-CA 3.29Å; E108-A144 WeakPolarHBondContact OE1-CA 3.33Å; L110-A144 HydrophobicContact CD1-CB 3.8Å; G140-A144 WeakPolarHBondContact O-CB 3.35Å; G140-A144 PolarHBondContact O-N 2.62Å; A144-L149 HydrophobicContact CB-CD2 3.48Å; A144-L149 VanDerWaalsContact CB-CD2 3.48Å; A144-K241 VanDerWaalsContact O-CE 3.31Å; A144-K241 WeakPolarHBondContact O-CE 3.34Å; A144-K241 PolarHBondContact O-NZ 2.68Å
145V97.6Very high96.7Very high94 Ų9431.4 Ų31.457%0.5715%0.146SC*.  trans-116.4-8.9179.6-72.70000114.1S77 H107 E108S77-V145 PolarHBondContact OG-N 2.85Å; H107-V145 VanDerWaalsContact CD2-CG2 3.46Å; H107-V145 WeakPolarHBondContact CD2-CG2 3.4Å; H107-V145 WeakPolarHBondContact NE2-CG2 3.35Å; E108-V145 WeakPolarHBondContact OE1-CG2 3.43Å; E108-V145 PolarHBondContact OE1-N 3.29Å
146G97.8Very high96.8Very high2 Ų228.5 Ų28.52%0.02114%0.135CC..SBendtrans-67.6163.7174.600000114.1N75 S77N75-G146 WeakPolarHBondContact OD1-CA 3.38Å; S77-G146 VanDerWaalsContact OG-CA 3.31Å; S77-G146 WeakPolarHBondContact OG-CA 3.47Å; S77-G146 PolarHBondContact OG-N 2.93Å
147Q98Very high97Very high106 Ų10629 Ų2950%0.49514%0.137SC..SBendtrans-73.7-35.3-178.2-65.8173-76.900112.6P74 N75 K241P74-Q147 HydrophobicContact CB-CB 3.86Å; N75-Q147 PolarHBondContact O-N 2.98Å; N75-Q147 WeakPolarHBondContact OD1-CG 3.01Å; N75-Q147 PolarHBondContact OD1-N 3.31Å; Q147-K241 WeakPolarHBondContact O-CB 3.35Å; Q147-K241 PolarHBondContact O-N 3.09Å
148V98.6Very high97.1Very high0 Ų028.8 Ų28.80%014%0.137CC..EExtended strand (participates in β ladder)trans-117.1134.9177.8176.30000109.7P74 N75 V76 S77 V150 L167 I170 A238 V239P74-V148 HydrophobicContact CB-CG2 3.94Å; P74-V148 HydrophobicContact CG-CG2 3.67Å; N75-V148 PolarHBondContact O-N 2.84Å; V76-V148 VanDerWaalsContact CA-O 3.29Å; V76-V148 WeakPolarHBondContact CA-O 3.38Å; V76-V148 HydrophobicContact CG1-CB 4.17Å; V76-V148 HydrophobicContact CG1-CG1 4.5Å; S77-V148 PolarHBondContact N-O 3.09Å; V148-V150 HydrophobicContact CG1-CG2 4.12Å; V148-L167 HydrophobicContact CB-CD2 3.99Å; V148-L167 HydrophobicContact CG1-CD2 3.79Å; V148-L167 HydrophobicContact CG2-CD2 4Å; V148-I170 HydrophobicContact CG1-CD1 3.93Å; V148-I170 HydrophobicContact CG1-CG2 4.46Å; V148-I170 HydrophobicContact CG2-CG2 3.68Å; V148-A238 HydrophobicContact CG1-CB 4.34Å; V148-V239 WeakPolarHBondContact CG1-O 3.5Å
149L98.6Very high97.2Very high0 Ų028.6 Ų28.60%014%0.135CC..EExtended strand (participates in β ladder)trans-91.3128.9171.2-54.6-179000108.4I79 A141 A144 F151 A238 V239 K241 F244I79-L149 HydrophobicContact CD1-CB 4.3Å; I79-L149 HydrophobicContact CD1-CD2 4.09Å; A141-L149 HydrophobicContact CB-CD1 3.66Å; A144-L149 HydrophobicContact CB-CD2 3.48Å; A144-L149 VanDerWaalsContact CB-CD2 3.48Å; L149-F151 HydrophobicContact CB-CE2 3.93Å; L149-F151 HydrophobicContact CB-CZ 4.26Å; L149-F151 HydrophobicContact CD1-CE2 4.4Å; L149-F151 HydrophobicContact CD1-CZ 4.16Å; L149-A238 CarbonylContact O-C 3.55Å; L149-A238 VanDerWaalsContact O-CA 3.3Å; L149-A238 WeakPolarHBondContact O-CA 3.31Å; L149-V239 HydrophobicContact CB-CG1 4.16Å; L149-V239 PolarHBondContact N-O 3.02Å; L149-V239 PolarHBondContact O-N 2.87Å; L149-K241 HydrophobicContact CD1-CB 4.37Å; L149-K241 HydrophobicContact CD1-CG 4.18Å; L149-K241 HydrophobicContact CD2-CB 4.07Å; L149-K241 HydrophobicContact CD2-CD 4.18Å; L149-K241 HydrophobicContact CD2-CG 3.96Å; L149-K241 HydrophobicContact CG-CB 3.89Å; L149-K241 HydrophobicContact CG-CG 4.07Å; L149-F244 HydrophobicContact CD1-CB 4.15Å; L149-F244 HydrophobicContact CD1-CD1 3.66Å; L149-F244 HydrophobicContact CD1-CE1 4.28Å; L149-F244 HydrophobicContact CD1-CG 4Å
150V98.6Very high97.2Very high2 Ų228.7 Ų28.71%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-120.9114.4172.5-178.30000108.6V76 S77 L78 I79 V148 L152 W162 L163 L237 A238V76-V150 HydrophobicContact CB-CG2 4.11Å; V76-V150 HydrophobicContact CG1-CG2 4.25Å; S77-V150 PolarHBondContact O-N 3.28Å; L78-V150 CarbonylContact C-O 3.56Å; L78-V150 WeakPolarHBondContact CA-O 3.37Å; L78-V150 HydrophobicContact CD2-CB 3.47Å; L78-V150 VanDerWaalsContact CD2-CB 3.47Å; L78-V150 HydrophobicContact CD2-CG1 3.41Å; L78-V150 VanDerWaalsContact CD2-CG1 3.41Å; L78-V150 HydrophobicContact CD2-CG2 4.43Å; L78-V150 HydrophobicContact CG-CB 4.4Å; I79-V150 PolarHBondContact N-O 3.25Å; V148-V150 HydrophobicContact CG1-CG2 4.12Å; V150-L152 HydrophobicContact CG1-CG 4.37Å; V150-W162 HydrophobicContact CG1-CH2 3.9Å; V150-W162 HydrophobicContact CG1-CZ3 4.02Å; V150-L163 HydrophobicContact CG2-CD1 4.14Å; V150-L237 CarbonylContact C-O 3.44Å; V150-L237 WeakPolarHBondContact CA-O 3.22Å; V150-A238 HydrophobicContact CG2-CB 3.92Å
151F98.4Very high97.2Very high0 Ų029.2 Ų29.20%015%0.146CC..EExtended strand (participates in β ladder)trans-93.1133.3176.7-59.1-87.6000109.4I79 R137 A141 L149 L236 L237 V239 F244 F250I79-F151 HydrophobicContact CB-CD1 3.8Å; I79-F151 HydrophobicContact CB-CE1 4.06Å; I79-F151 HydrophobicContact CD1-CD1 4.04Å; I79-F151 HydrophobicContact CD1-CE1 3.48Å; I79-F151 VanDerWaalsContact CD1-CE1 3.48Å; I79-F151 HydrophobicContact CD1-CZ 3.85Å; I79-F151 HydrophobicContact CG1-CE1 4.39Å; I79-F151 HydrophobicContact CG2-CD1 3.88Å; I79-F151 HydrophobicContact CG2-CE1 4.01Å; I79-F151 WeakPolarHBondContact O-CA 3.37Å; R137-F151 HydrophobicContact CB-CD1 4.01Å; R137-F151 HydrophobicContact CB-CE1 3.72Å; R137-F151 HydrophobicContact CG-CD1 3.68Å; R137-F151 HydrophobicContact CG-CE1 3.95Å; A141-F151 HydrophobicContact CB-CE1 4.45Å; A141-F151 HydrophobicContact CB-CZ 4.1Å; L149-F151 HydrophobicContact CB-CE2 3.93Å; L149-F151 HydrophobicContact CB-CZ 4.26Å; L149-F151 HydrophobicContact CD1-CE2 4.4Å; L149-F151 HydrophobicContact CD1-CZ 4.16Å; F151-L236 VanDerWaalsContact O-CA 3.31Å; F151-L236 WeakPolarHBondContact O-CA 3.39Å; F151-L237 HydrophobicContact CB-CG 4.41Å; F151-L237 HydrophobicContact CD2-CD1 3.44Å; F151-L237 VanDerWaalsContact CD2-CD1 3.44Å; F151-L237 HydrophobicContact CD2-CG 3.86Å; F151-L237 HydrophobicContact CE2-CD1 3.89Å; F151-L237 PolarHBondContact N-O 3.19Å; F151-L237 PolarHBondContact O-N 2.57Å; F151-V239 HydrophobicContact CE2-CG1 4.22Å; F151-F244 HydrophobicContact CE2-CE2 4.42Å; F151-F244 HydrophobicContact CZ-CE1 4.44Å; F151-F244 HydrophobicContact CZ-CE2 4.37Å; F151-F244 HydrophobicContact CZ-CZ 4.12Å; F151-F250 HydrophobicContact CZ-CE2 4.45Å
152L98Very high97.3Very high3 Ų329.2 Ų29.22%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-135139.1171.8-63.4176.3000109.7L78 I79 I80 M93 I97 V150 V158 W162 L236 V283L78-L152 HydrophobicContact CD2-CD1 3.93Å; L78-L152 HydrophobicContact CD2-CG 4.34Å; I79-L152 PolarHBondContact O-N 3.48Å; I79-L152 VanDerWaalsContact O-N 3.12Å; I80-L152 HydrophobicContact CG1-CB 4.44Å; M93-L152 HydrophobicContact CE-CB 3.35Å; M93-L152 HydrophobicContact CE-CD1 3.77Å; M93-L152 HydrophobicContact CE-CG 4.22Å; I97-L152 HydrophobicContact CD1-CD1 4.08Å; V150-L152 HydrophobicContact CG1-CG 4.37Å; L152-V158 HydrophobicContact CD1-CG1 4.06Å; L152-W162 HydrophobicContact CD1-CH2 3.94Å; L152-W162 HydrophobicContact CD1-CZ3 4.36Å; L152-W162 HydrophobicContact CD2-CZ3 4.32Å; L152-L236 HydrophobicContact CD2-CB 4.17Å; L152-L236 HydrophobicContact CD2-CD2 3.94Å; L152-L236 HydrophobicContact CD2-CG 3.9Å; L152-V283 HydrophobicContact CD2-CG1 4.34Å
153D95.9Very high97.3Very high31 Ų3122.3 Ų22.317%0.16612%0.12CC..EExtended strand (participates in β ladder)trans-63.7148.7167.1-74.2-2.7000110.6M93 R137 H155 C156 G235 H285M93-D153 WeakPolarHBondContact CE-O 3.42Å; R137-D153 IonicContact NH2-OD1 3.89Å; R137-D153 PolarHBondContact NH2-OD1 3.37Å; D153-H155 PolarHBondContact O-N 3.13Å; D153-C156 PolarHBondContact O-N 2.94Å; D153-C156 PolarHBondContact O-SG 3.45Å; D153-C156 VanDerWaalsContact O-SG 3.35Å; D153-G235 PolarHBondContact N-O 3.11Å; D153-G235 WeakPolarHBondContact OD1-CA 3.38Å; D153-H285 IonicContact OD2-CD2 3.6Å; D153-H285 IonicContact OD2-CE1 2.66Å; D153-H285 IonicContact OD2-NE2 2.66Å; D153-H285 PolarHBondContact OD2-NE2 2.94Å
154S94.7Very high97.4Very high8 Ų818.1 Ų18.16%0.05610%0.101CC..THydrogen-bonded Turntrans-69.911.8-173.653.80000116.3N81 E85N81-S154 WeakPolarHBondContact O-CB 3.22Å; N81-S154 PolarHBondContact O-OG 2.88Å; E85-S154 WeakPolarHBondContact CG-O 3.27Å; E85-S154 WeakPolarHBondContact OE2-CB 3.42Å; E85-S154 PolarHBondContact OE2-OG 3.39Å
155H95.1Very high97.4Very high19 Ų1918.5 Ų18.59%0.08810%0.104CC..THydrogen-bonded Turntrans-140.446.1-177.144-83000111.2E85 V89 D153 H285 V286 R288E85-H155 IonicContact OE2-CE1 3.23Å; E85-H155 IonicContact OE2-CG 3.1Å; E85-H155 IonicContact OE2-ND1 3.76Å; E85-H155 PolarHBondContact OE2-ND1 3.27Å; V89-H155 VanDerWaalsContact CG1-CA 3.5Å; V89-H155 HydrophobicContact CG1-CB 3.62Å; D153-H155 PolarHBondContact O-N 3.13Å; H155-H285 AromaticContact CD2-CE1 3.65Å; H155-H285 AromaticContact CD2-NE2 3.51Å; H155-H285 AromaticContact NE2-CE1 3.47Å; H155-H285 PolarHBondContact NE2-CE1 3.31Å; H155-H285 AromaticContact NE2-NE2 3.26Å; H155-H285 PolarHBondContact NE2-NE2 2.92Å; H155-V286 HydrophobicContact CB-CB 4.13Å; H155-V286 HydrophobicContact CB-CG2 4.19Å; H155-V286 PolarHBondContact CD2-O 3.35Å; H155-V286 WeakPolarHBondContact O-CG2 3.34Å; H155-V286 PolarHBondContact O-N 2.64Å; H155-R288 PolarHBondContact CE1-NH2 3.5Å; H155-R288 PolarHBondContact ND1-NH2 3.24Å
156C97.4Very high97.5Very high1 Ų114.1 Ų14.11%0.0078%0.077CC..EExtended strand (participates in β ladder)trans-109.8154.7175.1-67.40000112.1M93 D153 V283 G284M93-C156 VanDerWaalsContact CB-O 3.27Å; M93-C156 WeakPolarHBondContact CB-O 3.21Å; M93-C156 HydrophobicContact CE-CB 4.1Å; M93-C156 VanDerWaalsContact CG-O 3.23Å; M93-C156 WeakPolarHBondContact CG-O 3.33Å; M93-C156 HydrophobicContact SD-CB 4.4Å; D153-C156 PolarHBondContact O-N 2.94Å; D153-C156 PolarHBondContact O-SG 3.45Å; D153-C156 VanDerWaalsContact O-SG 3.35Å; C156-V283 HydrophobicContact CB-CG1 3.85Å; C156-G284 CarbonylContact C-O 3.53Å; C156-G284 WeakPolarHBondContact CA-O 3.48Å; C156-G284 WeakPolarHBondContact CB-O 3.48Å
157E97.9Very high97.5Very high10 Ų1014 Ų145%0.0478%0.076CC..EExtended strand (participates in β ladder)trans-126.5116.8164.3-61.9-169.6-123.500109R52 L55 R92 I184 Y191 G284R52-E157 VanDerWaalsContact CD-OE2 3.32Å; R52-E157 WeakPolarHBondContact CD-OE2 3.43Å; R52-E157 IonicContact NH1-OE1 3.61Å; R52-E157 PolarHBondContact NH1-OE1 3.28Å; R52-E157 VanDerWaalsContact NH1-OE1 3.11Å; L55-E157 HydrophobicContact CD1-CB 4.07Å; R92-E157 IonicContact NH1-OE1 3.48Å; E157-I184 HydrophobicContact CB-CD1 3.8Å; E157-I184 HydrophobicContact CG-CD1 3.76Å; E157-Y191 HydrophobicContact CB-CD2 4.46Å; E157-Y191 HydrophobicContact CB-CE2 4.34Å; E157-Y191 WeakPolarHBondContact O-CE2 3.32Å; E157-G284 PolarHBondContact N-O 2.95Å; E157-G284 PolarHBondContact O-N 2.91Å
158V98.1Very high97.4Very high1 Ų111 Ų111%0.0067%0.065CC..EExtended strand (participates in β ladder)trans-74.8141.6179.2-60.60000110.9I97 R100 L152 W162 V283I97-V158 HydrophobicContact CG1-CG1 4.1Å; I97-V158 HydrophobicContact CG1-CG2 4.05Å; R100-V158 HydrophobicContact CB-CG2 4.28Å; R100-V158 VanDerWaalsContact CD-O 3.25Å; R100-V158 WeakPolarHBondContact CD-O 3.34Å; R100-V158 PolarHBondContact NH1-O 3.31Å; L152-V158 HydrophobicContact CD1-CG1 4.06Å; V158-W162 HydrophobicContact CB-CB 4.5Å; V158-W162 HydrophobicContact CB-CD2 3.76Å; V158-W162 HydrophobicContact CB-CE3 4.46Å; V158-W162 HydrophobicContact CB-CG 3.74Å; V158-W162 HydrophobicContact CB-CZ2 4.42Å; V158-W162 HydrophobicContact CG1-CD2 3.72Å; V158-W162 HydrophobicContact CG1-CE3 4.01Å; V158-W162 HydrophobicContact CG1-CG 4.25Å; V158-W162 HydrophobicContact CG1-CH2 4.05Å; V158-W162 HydrophobicContact CG1-CZ2 3.8Å; V158-W162 HydrophobicContact CG1-CZ3 4.16Å; V158-W162 HydrophobicContact CG2-CG 4.45Å; V158-V283 HydrophobicContact CG1-CG1 4.06Å; V158-V283 HydrophobicContact CG1-CG2 4.13Å
159N97.5Very high97.3Very high3 Ų313.3 Ų13.32%0.0167%0.073CC..  trans-86.3177.9175-143.1-40.6000111.3P56 T58 W162 Y191 R282P56-N159 PolarHBondContact O-ND2 2.75Å; T58-N159 PolarHBondContact OG1-ND2 2.94Å; N159-W162 WeakPolarHBondContact O-CB 3.29Å; N159-W162 VanDerWaalsContact O-CD1 3.25Å; N159-Y191 PolarHBondContact ND2-OH 3.07Å; N159-R282 HydrophobicContact CB-CB 3.78Å; N159-R282 VanDerWaalsContact CB-O 3.25Å; N159-R282 WeakPolarHBondContact CB-O 3.41Å; N159-R282 PolarHBondContact N-O 3.33Å
160V95.9Very high97.2Very high65 Ų6513.7 Ų13.739%0.3948%0.075SC..THydrogen-bonded Turntrans-68.5140174.162.30000110.9D57 R59 W162D57-V160 HydrophobicContact CB-CG1 4.41Å; R59-V160 WeakPolarHBondContact CD-O 3.23Å; R59-V160 PolarHBondContact NE-O 3Å; V160-W162 PolarHBondContact O-N 3.13Å
161G96.2Very high97Very high11 Ų1116.7 Ų16.711%0.11310%0.1CC..THydrogen-bonded Turntrans6327.8177.800000114E164 P165G161-E164 VanDerWaalsContact CA-OE2 3.26Å; G161-E164 WeakPolarHBondContact CA-OE2 3.22Å; G161-P165 WeakPolarHBondContact O-CD 3.26Å; G161-P165 WeakPolarHBondContact O-CG 3.16Å
162W98.2Very high96.7Very high1 Ų123.1 Ų23.10%0.00413%0.13CC..  trans-76.4-24.9-172.375.4-77.1000113.2L78 T101 V150 L152 V158 N159 V160 L166 S281 V283L78-W162 HydrophobicContact CD1-CZ2 4.42Å; L78-W162 HydrophobicContact CD2-CH2 3.72Å; L78-W162 HydrophobicContact CD2-CZ2 4.29Å; T101-W162 PolarHBondContact OG1-NE1 3.06Å; V150-W162 HydrophobicContact CG1-CH2 3.9Å; V150-W162 HydrophobicContact CG1-CZ3 4.02Å; L152-W162 HydrophobicContact CD1-CH2 3.94Å; L152-W162 HydrophobicContact CD1-CZ3 4.36Å; L152-W162 HydrophobicContact CD2-CZ3 4.32Å; V158-W162 HydrophobicContact CB-CB 4.5Å; V158-W162 HydrophobicContact CB-CD2 3.76Å; V158-W162 HydrophobicContact CB-CE3 4.46Å; V158-W162 HydrophobicContact CB-CG 3.74Å; V158-W162 HydrophobicContact CB-CZ2 4.42Å; V158-W162 HydrophobicContact CG1-CD2 3.72Å; V158-W162 HydrophobicContact CG1-CE3 4.01Å; V158-W162 HydrophobicContact CG1-CG 4.25Å; V158-W162 HydrophobicContact CG1-CH2 4.05Å; V158-W162 HydrophobicContact CG1-CZ2 3.8Å; V158-W162 HydrophobicContact CG1-CZ3 4.16Å; V158-W162 HydrophobicContact CG2-CG 4.45Å; N159-W162 WeakPolarHBondContact O-CB 3.29Å; N159-W162 VanDerWaalsContact O-CD1 3.25Å; V160-W162 PolarHBondContact O-N 3.13Å; W162-L166 HydrophobicContact CE3-CD1 4.29Å; W162-L166 HydrophobicContact CZ3-CD1 4.31Å; W162-S281 VanDerWaalsContact O-CB 3.23Å; W162-S281 WeakPolarHBondContact O-CB 3.49Å; W162-S281 PolarHBondContact O-OG 3.4Å; W162-V283 HydrophobicContact CB-CG2 4.48Å; W162-V283 HydrophobicContact CD2-CG2 4.28Å; W162-V283 HydrophobicContact CE3-CG2 3.59Å; W162-V283 HydrophobicContact CZ3-CG2 4.18Å
163L98.4Very high96.3Very high0 Ų027.3 Ų27.30%015%0.153CC..SBendtrans-94.5-42.3-166.5-176.360.2000111.8V76 T101 L105 V150 P165 L166 L167V76-L163 HydrophobicContact CG1-CD1 4.23Å; V76-L163 HydrophobicContact CG1-CD2 4.05Å; V76-L163 HydrophobicContact CG2-CD2 3.92Å; T101-L163 HydrophobicContact CG2-CD2 3.49Å; T101-L163 VanDerWaalsContact CG2-CD2 3.49Å; L105-L163 HydrophobicContact CB-CD2 4.04Å; L105-L163 HydrophobicContact CD1-CD2 4.27Å; V150-L163 HydrophobicContact CG2-CD1 4.14Å; L163-P165 VanDerWaalsContact C-CD 3.48Å; L163-L166 WeakPolarHBondContact O-CB 3.39Å; L163-L166 PolarHBondContact O-N 3.17Å; L163-L167 HydrophobicContact CD1-CD1 4.23Å; L163-L167 HydrophobicContact CD1-CD2 4.33Å; L163-L167 HydrophobicContact CD1-CG 4.11Å; L163-L167 HydrophobicContact CD2-CD1 3.96Å; L163-L167 HydrophobicContact CG-CD1 3.67Å; L163-L167 HydrophobicContact CG-CG 3.98Å; L163-L167 PolarHBondContact O-N 2.96Å; L163-L167 VanDerWaalsContact O-N 3.14Å
164E97.9Very high95.9Very high23 Ų2327.5 Ų27.511%0.10716%0.159CC..Hα-helixtrans-55.7-44.6-174.1-5389.1145.200113Y68 V70 L73 P102 L105 G161 L166 L167 V168Y68-E164 HydrophobicContact CD1-CB 4.29Å; Y68-E164 HydrophobicContact CD2-CB 3.49Å; Y68-E164 VanDerWaalsContact CD2-CB 3.49Å; Y68-E164 HydrophobicContact CD2-CG 4.31Å; Y68-E164 HydrophobicContact CE2-CB 4.08Å; Y68-E164 HydrophobicContact CG-CB 3.62Å; V70-E164 HydrophobicContact CG1-CG 4.28Å; L73-E164 HydrophobicContact CD1-CB 4.16Å; L73-E164 HydrophobicContact CD1-CG 4.43Å; P102-E164 WeakPolarHBondContact CG-OE1 3.48Å; L105-E164 HydrophobicContact CD1-CG 4.14Å; G161-E164 VanDerWaalsContact CA-OE2 3.26Å; G161-E164 WeakPolarHBondContact CA-OE2 3.22Å; E164-L166 PolarHBondContact O-N 3.04Å; E164-L167 PolarHBondContact O-N 3Å; E164-V168 PolarHBondContact O-N 3.29Å
165P97.6Very high96Very high9 Ų927.2 Ų27.26%0.05816%0.156CC..Hα-helixtrans-64.1-25.1176.9-18.430.7000113.7Y68 G161 L163 A278 C280Y68-P165 HydrophobicContact CE2-CG 4.07Å; G161-P165 WeakPolarHBondContact O-CD 3.26Å; G161-P165 WeakPolarHBondContact O-CG 3.16Å; L163-P165 VanDerWaalsContact C-CD 3.48Å; P165-A278 HydrophobicContact CB-CB 4.4Å; P165-C280 HydrophobicContact CB-CB 4.13Å; P165-C280 HydrophobicContact CG-CB 3.83Å
166L98.1Very high96.1Very high1 Ų126.3 Ų26.31%0.00515%0.152CC..Hα-helixtrans-76.7-45175.5-54.4172.9000110.2W162 L163 E164 I170 L177 A238 A278 S281W162-L166 HydrophobicContact CE3-CD1 4.29Å; W162-L166 HydrophobicContact CZ3-CD1 4.31Å; L163-L166 WeakPolarHBondContact O-CB 3.39Å; L163-L166 PolarHBondContact O-N 3.17Å; E164-L166 PolarHBondContact O-N 3.04Å; L166-I170 WeakPolarHBondContact O-CG1 3.48Å; L166-I170 PolarHBondContact O-N 3.39Å; L166-L177 HydrophobicContact CB-CB 4.38Å; L166-L177 HydrophobicContact CD2-CB 3.81Å; L166-A238 HydrophobicContact CB-CB 4.19Å; L166-A238 HydrophobicContact CD1-CB 4.2Å; L166-A278 HydrophobicContact CD2-CB 3.78Å; L166-S281 WeakPolarHBondContact CG-OG 3.35Å
167L98.1Very high96.2Very high0 Ų026.2 Ų26.20%015%0.152CC..Hα-helixtrans-72.5-35.5-173.2-62.5-178.8000113.4L73 P74 V76 L105 V148 L163 E164 R169 I170 A171L73-L167 HydrophobicContact CB-CB 4.28Å; L73-L167 HydrophobicContact CB-CD1 4.36Å; L73-L167 HydrophobicContact CD1-CB 4.21Å; L73-L167 HydrophobicContact CD2-CB 4.23Å; L73-L167 HydrophobicContact CG-CB 4.48Å; P74-L167 HydrophobicContact CG-CB 4.45Å; P74-L167 HydrophobicContact CG-CD2 4.4Å; P74-L167 WeakPolarHBondContact O-CD1 3.5Å; V76-L167 HydrophobicContact CG1-CD1 3.76Å; V76-L167 HydrophobicContact CG1-CD2 3.52Å; V76-L167 HydrophobicContact CG1-CG 4.21Å; L105-L167 HydrophobicContact CB-CD1 4.44Å; L105-L167 HydrophobicContact CD1-CD1 4.02Å; L105-L167 HydrophobicContact CD2-CD1 4.17Å; L105-L167 HydrophobicContact CG-CD1 4.44Å; V148-L167 HydrophobicContact CB-CD2 3.99Å; V148-L167 HydrophobicContact CG1-CD2 3.79Å; V148-L167 HydrophobicContact CG2-CD2 4Å; L163-L167 HydrophobicContact CD1-CD1 4.23Å; L163-L167 HydrophobicContact CD1-CD2 4.33Å; L163-L167 HydrophobicContact CD1-CG 4.11Å; L163-L167 HydrophobicContact CD2-CD1 3.96Å; L163-L167 HydrophobicContact CG-CD1 3.67Å; L163-L167 HydrophobicContact CG-CG 3.98Å; L163-L167 PolarHBondContact O-N 2.96Å; L163-L167 VanDerWaalsContact O-N 3.14Å; E164-L167 PolarHBondContact O-N 3Å; L167-R169 VanDerWaalsContact C-N 3.27Å; L167-R169 PolarHBondContact O-N 2.9Å; L167-I170 PolarHBondContact O-N 2.81Å; L167-A171 WeakPolarHBondContact O-CB 3.3Å; L167-A171 PolarHBondContact O-N 3.14Å
168V96.4Very high96.2Very high44 Ų4425.9 Ų25.927%0.26715%0.15SC..Hα-helixtrans-58.6-42.617870.20000111Y68 L73 E164 A171 E172Y68-V168 HydrophobicContact CD1-CB 4.35Å; Y68-V168 HydrophobicContact CD1-CG1 4.36Å; Y68-V168 HydrophobicContact CE1-CG1 4.07Å; L73-V168 HydrophobicContact CD2-CB 4.07Å; L73-V168 HydrophobicContact CD2-CG2 4.49Å; E164-V168 PolarHBondContact O-N 3.29Å; V168-A171 PolarHBondContact O-N 3.43Å; V168-E172 WeakPolarHBondContact O-CG 3.35Å
169R96.2Very high96.2Very high48 Ų4826 Ų2618%0.18115%0.151CC..Hα-helixtrans-71.7-38.5178.6-68.7-63.3-62.51079.8112.9L167 A171 E172 D173 L177 S226 E276L167-R169 VanDerWaalsContact C-N 3.27Å; L167-R169 PolarHBondContact O-N 2.9Å; R169-A171 VanDerWaalsContact C-N 3.28Å; R169-A171 PolarHBondContact O-N 2.92Å; R169-E172 IonicContact CZ-OE2 3.56Å; R169-E172 IonicContact NH1-OE2 3.58Å; R169-E172 PolarHBondContact NH1-OE2 2.91Å; R169-E172 PolarHBondContact O-N 2.67Å; R169-D173 PolarHBondContact O-N 2.77Å; R169-L177 HydrophobicContact CB-CD1 4.23Å; R169-L177 HydrophobicContact CB-CD2 4.15Å; R169-L177 HydrophobicContact CB-CG 4.17Å; R169-S226 WeakPolarHBondContact CD-OG 3.46Å; R169-S226 WeakPolarHBondContact CG-OG 3.42Å; R169-S226 PolarHBondContact NE-OG 3Å; R169-E276 IonicContact CZ-OE2 3.37Å; R169-E276 IonicContact NE-OE2 2.8Å; R169-E276 PolarHBondContact NE-OE2 3.49Å; R169-E276 VanDerWaalsContact NE-OE2 3.17Å; R169-E276 IonicContact NH2-OE1 4Å; R169-E276 PolarHBondContact NH2-OE1 3.03Å; R169-E276 IonicContact NH2-OE2 3.02Å; R169-E276 PolarHBondContact NH2-OE2 2.74Å; R169-E276 VanDerWaalsContact NH2-OE2 3.08Å
170I96.5Very high96.2Very high8 Ų826.2 Ų26.24%0.04115%0.153CC..Hα-helixtrans-68.6-28.3177.1-68.9168.9000112V148 L166 L167 E172 L177 A238 N240V148-I170 HydrophobicContact CG1-CD1 3.93Å; V148-I170 HydrophobicContact CG1-CG2 4.46Å; V148-I170 HydrophobicContact CG2-CG2 3.68Å; L166-I170 WeakPolarHBondContact O-CG1 3.48Å; L166-I170 PolarHBondContact O-N 3.39Å; L167-I170 PolarHBondContact O-N 2.81Å; I170-E172 VanDerWaalsContact C-N 3.28Å; I170-L177 HydrophobicContact CD1-CB 4.34Å; I170-L177 HydrophobicContact CG1-CD2 3.96Å; I170-L177 HydrophobicContact CG1-CG 4.28Å; I170-A238 HydrophobicContact CD1-CB 3.48Å; I170-A238 VanDerWaalsContact CD1-CB 3.48Å; I170-N240 HydrophobicContact CG2-CB 3.98Å
171A93.9Very high96.3Very high64 Ų6423.5 Ų23.553%0.52914%0.136SC..Hα-helixtrans-70.1-26.3175.400000112.6L167 V168 R169L167-A171 WeakPolarHBondContact O-CB 3.3Å; L167-A171 PolarHBondContact O-N 3.14Å; V168-A171 PolarHBondContact O-N 3.43Å; R169-A171 VanDerWaalsContact C-N 3.28Å; R169-A171 PolarHBondContact O-N 2.92Å
172E92.2Very high96.4Very high135 Ų13523 Ų2363%0.63113%0.131SC*.Hα-helixtrans-89.8-41.5-176.2-68.7171.3164.500113.4V168 R169 I170V168-E172 WeakPolarHBondContact O-CG 3.35Å; R169-E172 IonicContact CZ-OE2 3.56Å; R169-E172 IonicContact NH1-OE2 3.58Å; R169-E172 PolarHBondContact NH1-OE2 2.91Å; R169-E172 PolarHBondContact O-N 2.67Å; I170-E172 VanDerWaalsContact C-N 3.28Å
173D89.1Confident96.3Very high91 Ų9126.2 Ų26.249%0.48715%0.146SC..SBendtrans-145.8159.5-171.8-1623.2000112.1R169 T175R169-D173 PolarHBondContact O-N 2.77Å; D173-T175 PolarHBondContact O-N 2.89Å
174A88.9Confident96.2Very high36 Ų3626.2 Ų26.230%0.29815%0.146SC..SBendtrans-7168.6174.800000111.4F243 S274A174-F243 HydrophobicContact CB-CD1 4.17Å; A174-F243 HydrophobicContact CB-CD2 3.99Å; A174-F243 HydrophobicContact CB-CE1 4.03Å; A174-F243 HydrophobicContact CB-CE2 3.87Å; A174-F243 HydrophobicContact CB-CG 4.15Å; A174-F243 HydrophobicContact CB-CZ 3.89Å; A174-F243 WeakPolarHBondContact O-CE1 3.43Å; A174-S274 PolarHBondContact O-N 3.25Å
175T96Very high96Very high1 Ų126 Ų261%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-114.2141-176.5-46.80000110.1D173 L177 S274 E276D173-T175 PolarHBondContact O-N 2.89Å; T175-L177 VanDerWaalsContact CB-CD2 3.49Å; T175-L177 HydrophobicContact CG2-CD2 3.2Å; T175-S274 WeakPolarHBondContact CA-O 3.11Å; T175-S274 WeakPolarHBondContact CG2-OG 3.49Å; T175-S274 PolarHBondContact OG1-OG 3.3Å; T175-E276 HydrophobicContact CG2-CB 3.92Å; T175-E276 HydrophobicContact CG2-CG 3.62Å
176V98.3Very high95.8Very high0 Ų026.6 Ų26.60%015%0.151CC..EExtended strand (participates in β ladder)trans-96.8121.4166.8173.60000108.2L237 V239 F243 F264 V268 S274 L275 E276V176-L237 HydrophobicContact CG1-CB 4.27Å; V176-L237 HydrophobicContact CG1-CD1 4.18Å; V176-V239 HydrophobicContact CG2-CB 4.08Å; V176-V239 HydrophobicContact CG2-CG2 3.68Å; V176-F243 HydrophobicContact CG2-CE1 4.38Å; V176-F264 HydrophobicContact CG1-CE1 3.98Å; V176-F264 HydrophobicContact CG2-CE1 3.92Å; V176-F264 HydrophobicContact CG2-CZ 3.98Å; V176-V268 HydrophobicContact CG2-CG1 4.21Å; V176-V268 HydrophobicContact CG2-CG2 3.9Å; V176-S274 PolarHBondContact N-O 3.47Å; V176-L275 HydrophobicContact CB-CD2 3.55Å; V176-L275 HydrophobicContact CG1-CD2 3.58Å; V176-L275 HydrophobicContact CG2-CD2 4.43Å; V176-L275 WeakPolarHBondContact O-CA 3.46Å; V176-E276 PolarHBondContact O-N 3.43Å
177L98.2Very high95.5Very high0 Ų030 Ų300%018%0.175CC..EExtended strand (participates in β ladder)trans-107.1145-174.6-83.5-75000110.6L166 R169 I170 T175 L237 A238 E276 A278L166-L177 HydrophobicContact CB-CB 4.38Å; L166-L177 HydrophobicContact CD2-CB 3.81Å; R169-L177 HydrophobicContact CB-CD1 4.23Å; R169-L177 HydrophobicContact CB-CD2 4.15Å; R169-L177 HydrophobicContact CB-CG 4.17Å; I170-L177 HydrophobicContact CD1-CB 4.34Å; I170-L177 HydrophobicContact CG1-CD2 3.96Å; I170-L177 HydrophobicContact CG1-CG 4.28Å; T175-L177 VanDerWaalsContact CB-CD2 3.49Å; T175-L177 HydrophobicContact CG2-CD2 3.2Å; L177-L237 CarbonylContact O-C 3.56Å; L177-L237 VanDerWaalsContact O-CA 3.22Å; L177-L237 WeakPolarHBondContact O-CA 3.39Å; L177-A238 PolarHBondContact N-O 2.95Å; L177-A238 PolarHBondContact O-N 2.86Å; L177-E276 CarbonylContact C-O 3.58Å; L177-E276 WeakPolarHBondContact CA-O 3.5Å; L177-E276 HydrophobicContact CD1-CB 3.65Å; L177-E276 HydrophobicContact CD2-CB 4.36Å; L177-A278 HydrophobicContact CD1-CB 4.2Å
178S98.3Very high95.2Very high2 Ų231.7 Ų31.71%0.01419%0.185CC..EExtended strand (participates in β ladder)trans-124.9139.5168.2-166.80000110.1L236 E276 I277 A278S178-L236 WeakPolarHBondContact CB-O 3.08Å; S178-L236 PolarHBondContact OG-O 2.8Å; S178-E276 PolarHBondContact N-O 3Å; S178-I277 WeakPolarHBondContact O-CA 3.36Å; S178-A278 PolarHBondContact O-N 3.36Å
179P98.4Very high95Very high4 Ų429.6 Ų29.63%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-64.6163.1167.730.7-36.8000110.5V181 L236 S281 V283P179-V181 PolarHBondContact O-N 2.71Å; P179-L236 HydrophobicContact CG-CB 3.81Å; P179-L236 HydrophobicContact CG-CD2 3.94Å; P179-S281 CarbonylContact C-O 3.48Å; P179-S281 WeakPolarHBondContact CA-O 3.36Å; P179-S281 WeakPolarHBondContact CB-O 3.4Å; P179-S281 VanDerWaalsContact CB-OG 3.3Å; P179-S281 WeakPolarHBondContact CB-OG 3.11Å; P179-V283 HydrophobicContact CB-CB 4.25Å; P179-V283 HydrophobicContact CB-CG2 3.8Å; P179-V283 HydrophobicContact CG-CB 4.09Å; P179-V283 HydrophobicContact CG-CG2 3.82Å
180V98.1Very high94.9Very high7 Ų731 Ų314%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-68.9124.4158.8-173.90000108.2D182 I196 I277 S281 V283V180-D182 PolarHBondContact O-N 2.68Å; V180-I196 HydrophobicContact CG2-CG1 4.28Å; V180-I277 HydrophobicContact CG2-CG2 3.89Å; V180-S281 PolarHBondContact N-O 2.95Å; V180-V283 PolarHBondContact O-N 2.87Å; V180-V283 VanDerWaalsContact O-N 3.13Å
181V97.8Very high94.9Very high9 Ų931.3 Ų31.36%0.05518%0.184CC..EExtended strand (participates in β ladder)trans-85.9100.3-177.8-1710000109.1P179 S194 W209 L236 V283 H285 F287P179-V181 PolarHBondContact O-N 2.71Å; V181-S194 WeakPolarHBondContact O-CB 3.39Å; V181-S194 PolarHBondContact O-OG 3.17Å; V181-W209 HydrophobicContact CB-CH2 4.34Å; V181-W209 HydrophobicContact CG2-CH2 4.3Å; V181-L236 HydrophobicContact CG1-CD1 4.39Å; V181-L236 HydrophobicContact CG2-CD1 4.31Å; V181-L236 HydrophobicContact CG2-CD2 4.4Å; V181-V283 CarbonylContact C-O 3.57Å; V181-V283 WeakPolarHBondContact CA-O 3.37Å; V181-H285 HydrophobicContact CG1-CB 3.52Å; V181-F287 HydrophobicContact CG1-CE2 4.01Å; V181-F287 HydrophobicContact CG1-CZ 3.67Å
182D97.9Very high95Very high0 Ų030.6 Ų30.60%018%0.175CC..EExtended strand (participates in β ladder)trans-74.2159.1175.8-77.8-10.3000111.4T58 V180 Y191 S192 S194 R282 V283 G284 H285T58-D182 WeakPolarHBondContact CB-OD2 3.4Å; T58-D182 PolarHBondContact OG1-OD2 3.37Å; V180-D182 PolarHBondContact O-N 2.68Å; D182-Y191 HydrophobicContact CB-CE1 3.73Å; D182-Y191 WeakPolarHBondContact OD2-CE1 3.28Å; D182-Y191 PolarHBondContact OD2-OH 3.48Å; D182-S192 WeakPolarHBondContact CB-O 3.45Å; D182-S194 WeakPolarHBondContact CA-OG 3.43Å; D182-S194 PolarHBondContact OD1-N 2.54Å; D182-R282 IonicContact OD1-CZ 2.72Å; D182-R282 IonicContact OD1-NE 3.31Å; D182-R282 IonicContact OD1-NH1 3.89Å; D182-R282 PolarHBondContact OD1-NH1 3.23Å; D182-R282 IonicContact OD2-NE 3.88Å; D182-V283 PolarHBondContact N-O 2.94Å; D182-G284 CarbonylContact O-C 3.55Å; D182-G284 WeakPolarHBondContact O-CA 3.36Å; D182-H285 PolarHBondContact O-N 3.47Å
183H96.1Very high95.3Very high68 Ų6827 Ų2732%0.31517%0.168SC..EExtended strand (participates in β ladder)trans-96.3123.9-174.9176.5-93.7000111S192 F287H183-S192 PolarHBondContact N-O 2.92Å; H183-S192 PolarHBondContact ND1-OG 2.74Å; H183-S192 PolarHBondContact O-N 2.84Å; H183-S192 PolarHBondContact O-OG 2.67Å; H183-F287 HydrophobicContact CB-CD2 4.38Å; H183-F287 HydrophobicContact CB-CE2 4.49Å; H183-F287 AromaticContact CD2-CD2 3.53Å
184I96.4Very high95.6Very high0 Ų024.2 Ų24.20%016%0.157CC..EExtended strand (participates in β ladder)trans-105117.7164.7-56.8173.6000108E157 F189 D190 Y191 H285 V286E157-I184 HydrophobicContact CB-CD1 3.8Å; E157-I184 HydrophobicContact CG-CD1 3.76Å; I184-F189 HydrophobicContact CG2-CB 4.34Å; I184-F189 HydrophobicContact CG2-CD1 3.94Å; I184-F189 HydrophobicContact CG2-CG 4.36Å; I184-D190 WeakPolarHBondContact CA-O 3.24Å; I184-Y191 HydrophobicContact CD1-CD2 4.1Å; I184-Y191 HydrophobicContact CD1-CE2 4.47Å; I184-Y191 HydrophobicContact CG1-CD2 3.84Å; I184-Y191 HydrophobicContact CG1-CE2 4.42Å; I184-Y191 HydrophobicContact CG1-CG 4.49Å; I184-H285 WeakPolarHBondContact CB-O 3.35Å; I184-H285 PolarHBondContact N-O 3.3Å; I184-V286 HydrophobicContact CB-CG2 3.93Å; I184-V286 HydrophobicContact CD1-CG2 4.39Å; I184-V286 HydrophobicContact CG2-CG2 3.76Å
185S94.4Very high95.8Very high20 Ų2026.8 Ų26.814%0.1417%0.168CC..  trans-58.7126.4-179.5169.40000111.5S187 T188 F189 D190S185-S187 PolarHBondContact O-N 2.92Å; S185-S187 PolarHBondContact OG-N 2.8Å; S185-T188 WeakPolarHBondContact CB-OG1 3.43Å; S185-T188 PolarHBondContact OG-N 3.33Å; S185-T188 PolarHBondContact OG-OG1 3.13Å; S185-F189 WeakPolarHBondContact O-CA 3.37Å; S185-F189 PolarHBondContact O-N 2.97Å; S185-D190 PolarHBondContact N-O 2.83Å
186P93Very high95.8Very high21 Ų2127.4 Ų27.414%0.13617%0.171CC..THydrogen-bonded Turntrans-68.9-13.1176.531.2-38.2000112.4F40 D41 V286 F287F40-P186 CarbonylContact C-O 3.59Å; F40-P186 VanDerWaalsContact CA-O 3.22Å; F40-P186 WeakPolarHBondContact CA-O 3.16Å; F40-P186 HydrophobicContact CB-CB 3.79Å; F40-P186 VanDerWaalsContact CB-O 3.23Å; F40-P186 WeakPolarHBondContact CB-O 3.37Å; D41-P186 PolarHBondContact N-O 2.83Å; P186-V286 HydrophobicContact CB-CG1 4.17Å; P186-F287 VanDerWaalsContact CG-O 3.26Å; P186-F287 WeakPolarHBondContact CG-O 3.44Å
187S91.2Very high95.7Very high72 Ų7228 Ų2850%0.50318%0.175SC..THydrogen-bonded Turntrans-102-39.4-178.7-58.30000112.8S185S185-S187 PolarHBondContact O-N 2.92Å; S185-S187 PolarHBondContact OG-N 2.8Å
188T91.9Very high95.6Very high35 Ų3530.6 Ų30.622%0.21519%0.185CC..THydrogen-bonded Turntrans-111.3-14.4-173.865.90000113.2L20 V44 S185 D190L20-T188 HydrophobicContact CD1-CG2 4.35Å; L20-T188 HydrophobicContact CD2-CG2 4.02Å; V44-T188 WeakPolarHBondContact CG1-O 3.22Å; S185-T188 WeakPolarHBondContact CB-OG1 3.43Å; S185-T188 PolarHBondContact OG-N 3.33Å; S185-T188 PolarHBondContact OG-OG1 3.13Å; T188-D190 WeakPolarHBondContact CB-OD2 3.4Å; T188-D190 PolarHBondContact O-N 2.82Å; T188-D190 WeakPolarHBondContact OG1-CB 3.37Å; T188-D190 PolarHBondContact OG1-N 2.99Å; T188-D190 PolarHBondContact OG1-OD2 3.05Å
189F93.2Very high95.6Very high1 Ų130.6 Ų30.60%0.00419%0.185CC..  trans56.518.5-169.4-80.7-103.4000114F40 D41 V44 L48 R52 V89 I184 S185 Y191 V286F40-F189 HydrophobicContact CB-CE2 4.34Å; F40-F189 HydrophobicContact CB-CZ 4.45Å; F40-F189 AromaticContact CD2-CE2 3.97Å; F40-F189 HydrophobicContact CD2-CE2 3.97Å; F40-F189 AromaticContact CD2-CZ 3.69Å; F40-F189 HydrophobicContact CD2-CZ 3.69Å; F40-F189 HydrophobicContact CE2-CZ 4.1Å; F40-F189 HydrophobicContact CG-CE2 4.4Å; F40-F189 HydrophobicContact CG-CZ 4.12Å; D41-F189 WeakPolarHBondContact O-CE2 3.45Å; V44-F189 HydrophobicContact CB-CD2 4.29Å; V44-F189 HydrophobicContact CG1-CB 4.17Å; V44-F189 HydrophobicContact CG1-CD2 3.9Å; V44-F189 HydrophobicContact CG1-CG 4.42Å; L48-F189 HydrophobicContact CD1-CB 3.32Å; L48-F189 HydrophobicContact CD1-CD1 4.17Å; L48-F189 HydrophobicContact CD1-CG 3.88Å; R52-F189 VanDerWaalsContact CZ-O 3.3Å; R52-F189 PolarHBondContact NH1-O 2.87Å; R52-F189 PolarHBondContact NH2-O 3.15Å; V89-F189 HydrophobicContact CG2-CE1 3.96Å; V89-F189 HydrophobicContact CG2-CZ 4Å; I184-F189 HydrophobicContact CG2-CB 4.34Å; I184-F189 HydrophobicContact CG2-CD1 3.94Å; I184-F189 HydrophobicContact CG2-CG 4.36Å; S185-F189 WeakPolarHBondContact O-CA 3.37Å; S185-F189 PolarHBondContact O-N 2.97Å; F189-Y191 PolarHBondContact O-N 3.5Å; F189-V286 HydrophobicContact CD1-CG2 4.48Å; F189-V286 HydrophobicContact CE1-CG2 3.94Å; F189-V286 HydrophobicContact CZ-CG2 4.47Å
190D93.8Very high95.6Very high76 Ų7630.4 Ų30.441%0.40618%0.184SC..  trans-63.1131.1170-65.3-40000109.7I184 S185 T188I184-D190 WeakPolarHBondContact CA-O 3.24Å; S185-D190 PolarHBondContact N-O 2.83Å; T188-D190 WeakPolarHBondContact CB-OD2 3.4Å; T188-D190 PolarHBondContact O-N 2.82Å; T188-D190 WeakPolarHBondContact OG1-CB 3.37Å; T188-D190 PolarHBondContact OG1-N 2.99Å; T188-D190 PolarHBondContact OG1-OD2 3.05Å
191Y96.3Very high95.5Very high15 Ų1530.3 Ų30.36%0.05918%0.183CC..EExtended strand (participates in β ladder)trans-91.4127.9176.1-171.1-68.5000108.3L55 P56 T58 E157 N159 D182 I184 F189 G284L55-Y191 HydrophobicContact CD1-CD2 4.06Å; L55-Y191 HydrophobicContact CD1-CE2 4.01Å; L55-Y191 HydrophobicContact CD2-CD2 3.76Å; L55-Y191 HydrophobicContact CD2-CG 4.01Å; L55-Y191 HydrophobicContact CG-CD2 4.46Å; P56-Y191 HydrophobicContact CG-CD1 3.91Å; P56-Y191 HydrophobicContact CG-CG 4.44Å; T58-Y191 HydrophobicContact CG2-CD1 3.92Å; T58-Y191 HydrophobicContact CG2-CE1 3.58Å; E157-Y191 HydrophobicContact CB-CD2 4.46Å; E157-Y191 HydrophobicContact CB-CE2 4.34Å; E157-Y191 WeakPolarHBondContact O-CE2 3.32Å; N159-Y191 PolarHBondContact ND2-OH 3.07Å; D182-Y191 HydrophobicContact CB-CE1 3.73Å; D182-Y191 WeakPolarHBondContact OD2-CE1 3.28Å; D182-Y191 PolarHBondContact OD2-OH 3.48Å; I184-Y191 HydrophobicContact CD1-CD2 4.1Å; I184-Y191 HydrophobicContact CD1-CE2 4.47Å; I184-Y191 HydrophobicContact CG1-CD2 3.84Å; I184-Y191 HydrophobicContact CG1-CE2 4.42Å; I184-Y191 HydrophobicContact CG1-CG 4.49Å; F189-Y191 PolarHBondContact O-N 3.5Å; Y191-G284 VanDerWaalsContact CE2-CA 3.43Å; Y191-G284 PolarHBondContact OH-N 2.6Å; Y191-G284 VanDerWaalsContact OH-N 3.16Å
192S96.2Very high95.4Very high49 Ų4932.1 Ų32.134%0.34319%0.192SC..EExtended strand (participates in β ladder)trans-139.4142.9-175.852.50000111.5D182 H183D182-S192 WeakPolarHBondContact CB-O 3.45Å; H183-S192 PolarHBondContact N-O 2.92Å; H183-S192 PolarHBondContact ND1-OG 2.74Å; H183-S192 PolarHBondContact O-N 2.84Å; H183-S192 PolarHBondContact O-OG 2.67Å
193A97Very high95.3Very high59 Ų5932.8 Ų32.849%0.48820%0.195SC..PPolyproline II helixtrans-65134.9179.100000111.2T58T58-A193 HydrophobicContact CG2-CB 3.67Å
194S95.3Very high95.2Very high34 Ų3432 Ų3224%0.23819%0.193CC..PPolyproline II helixtrans-88.8155166.3-73.10000111.2V181 D182 R282V181-S194 WeakPolarHBondContact O-CB 3.39Å; V181-S194 PolarHBondContact O-OG 3.17Å; D182-S194 WeakPolarHBondContact CA-OG 3.43Å; D182-S194 PolarHBondContact OD1-N 2.54Å; S194-R282 PolarHBondContact O-NH1 3.08Å
195V93.9Very high95.2Very high89 Ų8932.3 Ų32.354%0.53919%0.194SC..PPolyproline II helixtrans-70.9138.1171.6-179.70000109.5C197 Y211V195-C197 PolarHBondContact O-N 2.91Å; V195-C197 PolarHBondContact O-SG 3.11Å; V195-Y211 HydrophobicContact CB-CD1 4.27Å; V195-Y211 HydrophobicContact CB-CE1 4.14Å; V195-Y211 HydrophobicContact CG1-CD1 4.03Å; V195-Y211 HydrophobicContact CG1-CE1 4.41Å
196I95.8Very high95.2Very high14 Ų1435.3 Ų35.37%0.07221%0.209CC..PPolyproline II helixtrans-64.2123.4173.2-63.5167.7000108.8V180 F212 F217 F227 P279V180-I196 HydrophobicContact CG2-CG1 4.28Å; I196-F212 HydrophobicContact CG2-CE2 4.3Å; I196-F217 HydrophobicContact CB-CE1 3.87Å; I196-F217 HydrophobicContact CB-CZ 4.02Å; I196-F217 HydrophobicContact CD1-CE1 4.13Å; I196-F217 HydrophobicContact CG2-CE1 4.13Å; I196-F217 HydrophobicContact CG2-CZ 4.44Å; I196-F227 HydrophobicContact CG2-CE1 3.32Å; I196-F227 HydrophobicContact CG2-CZ 3.44Å; I196-F227 VanDerWaalsContact CG2-CZ 3.44Å; I196-P279 HydrophobicContact CD1-CB 3.93Å; I196-P279 HydrophobicContact CD1-CG 4.43Å; I196-P279 HydrophobicContact CG2-CG 4.49Å
197C96.5Very high95.4Very high12 Ų1236.6 Ų36.68%0.08121%0.212CC..EExtended strand (participates in β ladder)trans-148.3165.3-177.6530000111.1V195 L210 Y211V195-C197 PolarHBondContact O-N 2.91Å; V195-C197 PolarHBondContact O-SG 3.11Å; C197-L210 WeakPolarHBondContact CB-O 3.49Å; C197-Y211 HydrophobicContact CB-CD1 3.91Å; C197-Y211 HydrophobicContact CB-CE1 4.18Å
198R97.1Very high95.6Very high56 Ų5637.4 Ų37.421%0.21121%0.208CC..EExtended strand (participates in β ladder)trans-90158167.9-66.6179.2-63.9154.93.5109.6L210 F212 F227 R228 E361R198-L210 HydrophobicContact CB-CB 4.18Å; R198-L210 PolarHBondContact N-O 2.89Å; R198-L210 PolarHBondContact O-N 3.49Å; R198-F212 HydrophobicContact CG-CE1 4.01Å; R198-F212 HydrophobicContact CG-CE2 4.15Å; R198-F212 HydrophobicContact CG-CZ 3.45Å; R198-F212 VanDerWaalsContact CG-CZ 3.45Å; R198-F227 HydrophobicContact CG-CD2 4.01Å; R198-F227 HydrophobicContact CG-CE2 3.68Å; R198-R228 WeakPolarHBondContact CD-O 3.28Å; R198-E361 IonicContact CZ-OE1 2.74Å; R198-E361 IonicContact NH1-OE1 3.08Å; R198-E361 PolarHBondContact NH1-OE1 2.97Å; R198-E361 VanDerWaalsContact NH1-OE1 3.11Å; R198-E361 IonicContact NH2-OE1 3.58Å; R198-E361 PolarHBondContact NH2-OE1 3.14Å
199G97.7Very high95.7Very high1 Ų140.2 Ų40.21%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-95.3139164.400000111.1T229 P230 A231G199-T229 PolarHBondContact N-OG1 2.88Å; G199-T229 PolarHBondContact O-OG1 3.3Å; G199-P230 WeakPolarHBondContact O-CB 3.49Å; G199-P230 WeakPolarHBondContact O-CD 3.4Å; G199-A231 CarbonylContact C-O 3.46Å; G199-A231 VanDerWaalsContact CA-O 3.27Å; G199-A231 WeakPolarHBondContact CA-O 3.5Å; G199-A231 PolarHBondContact O-N 2.8Å
200G97.7Very high95.9Very high0 Ų042.3 Ų42.30%023%0.226CC..EExtended strand (participates in β ladder)trans-141.5-163.4172.100000110.6F207 Q208G200-F207 CarbonylContact O-C 3.03Å; G200-F207 WeakPolarHBondContact O-CA 3.46Å; G200-F207 WeakPolarHBondContact O-CD2 3.43Å; G200-Q208 PolarHBondContact N-O 3.47Å; G200-Q208 PolarHBondContact O-N 2.95Å
201F97.3Very high96Very high6 Ų646 Ų463%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-157.6162.4175.252.5-90.9000111.3L205 N206 A231 I262 I266 F351 Y354 F359 L362F201-L205 HydrophobicContact CD2-CD2 3.46Å; F201-L205 VanDerWaalsContact CD2-CD2 3.46Å; F201-L205 HydrophobicContact CE2-CD2 3.47Å; F201-L205 VanDerWaalsContact CE2-CD2 3.47Å; F201-L205 HydrophobicContact CG-CD2 4.42Å; F201-L205 HydrophobicContact CZ-CD2 4.47Å; F201-N206 WeakPolarHBondContact CA-O 3.26Å; F201-N206 VanDerWaalsContact CB-O 3.22Å; F201-N206 WeakPolarHBondContact CB-O 3.34Å; F201-A231 HydrophobicContact CD1-CB 4.06Å; F201-A231 HydrophobicContact CE1-CB 4.39Å; F201-I262 HydrophobicContact CB-CD1 3.91Å; F201-I262 HydrophobicContact CD1-CD1 3.8Å; F201-I262 HydrophobicContact CD1-CG2 3.98Å; F201-I262 HydrophobicContact CD2-CG2 4.46Å; F201-I262 HydrophobicContact CE1-CG2 4.07Å; F201-I262 HydrophobicContact CG-CD1 4.12Å; F201-I262 HydrophobicContact CG-CG2 4.18Å; F201-I262 HydrophobicContact CZ-CG2 4.35Å; F201-I266 HydrophobicContact CE1-CD1 4.35Å; F201-I266 HydrophobicContact CE1-CG1 4.2Å; F201-I266 HydrophobicContact CE2-CD1 4.42Å; F201-I266 HydrophobicContact CZ-CD1 3.8Å; F201-I266 HydrophobicContact CZ-CG1 3.95Å; F201-F351 HydrophobicContact CZ-CZ 4.45Å; F201-Y354 HydrophobicContact CE1-CE1 4.33Å; F201-Y354 WeakPolarHBondContact CE1-OH 3.19Å; F201-Y354 AromaticContact CZ-CE1 3.95Å; F201-Y354 HydrophobicContact CZ-CE1 3.95Å; F201-F359 HydrophobicContact CD1-CE1 4.26Å; F201-F359 HydrophobicContact CE1-CD1 4.25Å; F201-F359 HydrophobicContact CE1-CE1 4.38Å; F201-F359 HydrophobicContact CG-CE1 4.38Å; F201-F359 HydrophobicContact CZ-CD1 4.34Å; F201-F359 WeakPolarHBondContact O-CE1 3.41Å; F201-L362 HydrophobicContact CD2-CD2 3.96Å; F201-L362 HydrophobicContact CE2-CD2 3.39Å; F201-L362 HydrophobicContact CZ-CD2 4Å
202D95.5Very high95.9Very high47 Ų4747.2 Ų47.225%0.25124%0.241SC..  trans-90.8177.6173.26417.2000112.2L204 L205 N206D202-L204 PolarHBondContact O-N 3.33Å; D202-L204 VanDerWaalsContact O-N 3.09Å; D202-L204 VanDerWaalsContact OD1-C 3.3Å; D202-L204 VanDerWaalsContact OD1-CA 3.3Å; D202-L204 WeakPolarHBondContact OD1-CA 3.37Å; D202-L204 VanDerWaalsContact OD1-CB 3.32Å; D202-L204 WeakPolarHBondContact OD1-CB 3.17Å; D202-L204 PolarHBondContact OD1-N 3.03Å; D202-L205 WeakPolarHBondContact O-CA 3.49Å; D202-L205 PolarHBondContact O-N 3.4Å; D202-L205 PolarHBondContact OD1-N 3.07Å; D202-N206 PolarHBondContact N-O 3.43Å; D202-N206 VanDerWaalsContact N-O 3.17Å; D202-N206 PolarHBondContact OD1-N 3.26Å; D202-N206 PolarHBondContact OD1-ND2 2.9Å; D202-N206 PolarHBondContact OD2-ND2 3.09Å
203W94.9Very high95.9Very high13 Ų1348.4 Ų48.45%0.04925%0.249CC..THydrogen-bonded Turntrans-65.3-8.8176-75.8115.9000114.8L205 Y317 N320 F321 Y324 F351 L355 L362 S365 E366W203-L205 VanDerWaalsContact C-N 3.33Å; W203-Y317 HydrophobicContact CH2-CD1 4.03Å; W203-Y317 HydrophobicContact CH2-CG 4.4Å; W203-N320 HydrophobicContact CD2-CB 3.74Å; W203-N320 HydrophobicContact CE3-CB 3.52Å; W203-N320 HydrophobicContact CG-CB 4.21Å; W203-N320 WeakPolarHBondContact CH2-ND2 3.29Å; W203-N320 VanDerWaalsContact CZ2-ND2 3.31Å; W203-N320 WeakPolarHBondContact CZ2-ND2 3.46Å; W203-N320 HydrophobicContact CZ3-CB 3.97Å; W203-N320 VanDerWaalsContact CZ3-ND2 3.31Å; W203-N320 WeakPolarHBondContact CZ3-ND2 3.49Å; W203-F321 WeakPolarHBondContact O-CD2 3.4Å; W203-Y324 HydrophobicContact CB-CD2 4.38Å; W203-Y324 HydrophobicContact CB-CE2 4.05Å; W203-F351 HydrophobicContact CH2-CE1 4.25Å; W203-F351 HydrophobicContact CZ3-CE1 4.15Å; W203-L355 HydrophobicContact CH2-CD1 4.03Å; W203-L355 HydrophobicContact CH2-CD2 4.21Å; W203-L362 HydrophobicContact CD2-CD1 3.94Å; W203-L362 HydrophobicContact CD2-CG 4.38Å; W203-L362 HydrophobicContact CG-CD1 4.12Å; W203-L362 HydrophobicContact CH2-CD2 4.42Å; W203-L362 HydrophobicContact CH2-CG 4.25Å; W203-L362 HydrophobicContact CZ2-CD1 4.2Å; W203-L362 HydrophobicContact CZ2-CD2 4.48Å; W203-L362 HydrophobicContact CZ2-CG 3.84Å; W203-L362 PolarHBondContact NE1-O 3.24Å; W203-S365 PolarHBondContact NE1-OG 3.48Å; W203-E366 HydrophobicContact CH2-CG 4.35Å; W203-E366 VanDerWaalsContact CH2-OE1 3.28Å; W203-E366 WeakPolarHBondContact CH2-OE1 3.33Å; W203-E366 HydrophobicContact CZ2-CG 3.36Å; W203-E366 WeakPolarHBondContact CZ2-OE1 3.39Å
204L94.8Very high95.7Very high52 Ų5250.1 Ų50.127%0.27226%0.258SS..THydrogen-bonded Turntrans-90.81.9169.5-73.5175000112.6D202 N206 F321 Y324 K325D202-L204 PolarHBondContact O-N 3.33Å; D202-L204 VanDerWaalsContact O-N 3.09Å; D202-L204 VanDerWaalsContact OD1-C 3.3Å; D202-L204 VanDerWaalsContact OD1-CA 3.3Å; D202-L204 WeakPolarHBondContact OD1-CA 3.37Å; D202-L204 VanDerWaalsContact OD1-CB 3.32Å; D202-L204 WeakPolarHBondContact OD1-CB 3.17Å; D202-L204 PolarHBondContact OD1-N 3.03Å; L204-N206 WeakPolarHBondContact CB-ND2 3.29Å; L204-N206 PolarHBondContact O-N 2.93Å; L204-F321 HydrophobicContact CD2-CD2 4.43Å; L204-F321 HydrophobicContact CD2-CE2 4.26Å; L204-Y324 HydrophobicContact CD2-CG 4.23Å; L204-Y324 HydrophobicContact CG-CG 4.48Å; L204-K325 HydrophobicContact CD2-CG 3.79Å
205L96.3Very high95.7Very high7 Ų752.8 Ų52.84%0.03727%0.269CS..  trans60.330.3-175.5-54.2-175000113.4F201 D202 W203 I262 T306 I309 V310 L314F201-L205 HydrophobicContact CD2-CD2 3.46Å; F201-L205 VanDerWaalsContact CD2-CD2 3.46Å; F201-L205 HydrophobicContact CE2-CD2 3.47Å; F201-L205 VanDerWaalsContact CE2-CD2 3.47Å; F201-L205 HydrophobicContact CG-CD2 4.42Å; F201-L205 HydrophobicContact CZ-CD2 4.47Å; D202-L205 WeakPolarHBondContact O-CA 3.49Å; D202-L205 PolarHBondContact O-N 3.4Å; D202-L205 PolarHBondContact OD1-N 3.07Å; W203-L205 VanDerWaalsContact C-N 3.33Å; L205-I262 HydrophobicContact CB-CG2 4.34Å; L205-I262 HydrophobicContact CD2-CG2 4.22Å; L205-T306 HydrophobicContact CB-CG2 3.91Å; L205-T306 HydrophobicContact CD1-CG2 3.73Å; L205-T306 HydrophobicContact CG-CG2 4.11Å; L205-I309 HydrophobicContact CD1-CB 3.96Å; L205-I309 HydrophobicContact CD1-CD1 4.21Å; L205-I309 HydrophobicContact CD1-CG2 3.87Å; L205-V310 HydrophobicContact CD1-CG2 3.95Å; L205-L314 HydrophobicContact CD1-CD1 4.24Å; L205-L314 HydrophobicContact CD2-CD1 4.35Å
206N94.6Very high95.7Very high82 Ų8250.6 Ų50.644%0.43925%0.252SS..  trans-81.6128.8168-57.1-57.5000109.5F201 D202 L204F201-N206 WeakPolarHBondContact CA-O 3.26Å; F201-N206 VanDerWaalsContact CB-O 3.22Å; F201-N206 WeakPolarHBondContact CB-O 3.34Å; D202-N206 PolarHBondContact N-O 3.43Å; D202-N206 VanDerWaalsContact N-O 3.17Å; D202-N206 PolarHBondContact OD1-N 3.26Å; D202-N206 PolarHBondContact OD1-ND2 2.9Å; D202-N206 PolarHBondContact OD2-ND2 3.09Å; L204-N206 WeakPolarHBondContact CB-ND2 3.29Å; L204-N206 PolarHBondContact O-N 2.93Å
207F95.9Very high95.6Very high49 Ų4953 Ų5322%0.21526%0.263CS..EExtended strand (participates in β ladder)trans-62.3139.7177-176.5-93.6000111.9G200 W209 A231 V232 I262G200-F207 CarbonylContact O-C 3.03Å; G200-F207 WeakPolarHBondContact O-CA 3.46Å; G200-F207 WeakPolarHBondContact O-CD2 3.43Å; F207-W209 AromaticContact CE1-CD2 3.73Å; F207-W209 HydrophobicContact CE1-CD2 3.73Å; F207-W209 AromaticContact CE1-CE2 3.7Å; F207-W209 AromaticContact CE1-CE3 3.9Å; F207-W209 HydrophobicContact CE1-CE3 3.9Å; F207-W209 HydrophobicContact CE1-CG 4.3Å; F207-W209 HydrophobicContact CE1-CH2 4.12Å; F207-W209 AromaticContact CE1-CZ2 3.91Å; F207-W209 HydrophobicContact CE1-CZ2 3.91Å; F207-W209 HydrophobicContact CE1-CZ3 4.1Å; F207-W209 HydrophobicContact CZ-CD2 4.42Å; F207-W209 HydrophobicContact CZ-CE3 4.14Å; F207-W209 HydrophobicContact CZ-CH2 4.42Å; F207-W209 HydrophobicContact CZ-CZ3 4.15Å; F207-A231 HydrophobicContact CD2-CB 4.37Å; F207-A231 HydrophobicContact CE2-CB 4.19Å; F207-V232 WeakPolarHBondContact CE2-O 3.46Å; F207-I262 HydrophobicContact CB-CD1 4.2Å; F207-I262 HydrophobicContact CD2-CD1 3.95Å
208Q95.3Very high95.5Very high88 Ų8859.8 Ų59.841%0.41129%0.29SS..EExtended strand (participates in β ladder)trans-132.2144.2179.9-61.9-64.3-20.500110.8G200 L210G200-Q208 PolarHBondContact N-O 3.47Å; G200-Q208 PolarHBondContact O-N 2.95Å; Q208-L210 HydrophobicContact CB-CD2 4.4Å
209W95.7Very high95.5Very high95 Ų9560.5 Ų60.536%0.3630%0.301SS..EExtended strand (participates in β ladder)trans-88.7119.1169.5-59.5104.4000109.5V181 F207 Y211V181-W209 HydrophobicContact CB-CH2 4.34Å; V181-W209 HydrophobicContact CG2-CH2 4.3Å; F207-W209 AromaticContact CE1-CD2 3.73Å; F207-W209 HydrophobicContact CE1-CD2 3.73Å; F207-W209 AromaticContact CE1-CE2 3.7Å; F207-W209 AromaticContact CE1-CE3 3.9Å; F207-W209 HydrophobicContact CE1-CE3 3.9Å; F207-W209 HydrophobicContact CE1-CG 4.3Å; F207-W209 HydrophobicContact CE1-CH2 4.12Å; F207-W209 AromaticContact CE1-CZ2 3.91Å; F207-W209 HydrophobicContact CE1-CZ2 3.91Å; F207-W209 HydrophobicContact CE1-CZ3 4.1Å; F207-W209 HydrophobicContact CZ-CD2 4.42Å; F207-W209 HydrophobicContact CZ-CE3 4.14Å; F207-W209 HydrophobicContact CZ-CH2 4.42Å; F207-W209 HydrophobicContact CZ-CZ3 4.15Å; W209-Y211 HydrophobicContact CB-CE2 4.13Å
210L96.4Very high95.2Very high44 Ų4464.3 Ų64.323%0.2333%0.325CS..EExtended strand (participates in β ladder)trans-101.8103.2-178.4-55.8-179.9000109.6C197 R198 Q208 F359C197-L210 WeakPolarHBondContact CB-O 3.49Å; R198-L210 HydrophobicContact CB-CB 4.18Å; R198-L210 PolarHBondContact N-O 2.89Å; R198-L210 PolarHBondContact O-N 3.49Å; Q208-L210 HydrophobicContact CB-CD2 4.4Å; L210-F359 HydrophobicContact CD1-CE2 3.58Å; L210-F359 HydrophobicContact CD1-CZ 3.86Å
211Y95.9Very high95.1Very high154 Ų15467.7 Ų67.760%0.60435%0.346SS*.EExtended strand (participates in β ladder)trans-78.6143-178.5-61.4-78.3000112V195 C197 W209V195-Y211 HydrophobicContact CB-CD1 4.27Å; V195-Y211 HydrophobicContact CB-CE1 4.14Å; V195-Y211 HydrophobicContact CG1-CD1 4.03Å; V195-Y211 HydrophobicContact CG1-CE1 4.41Å; C197-Y211 HydrophobicContact CB-CD1 3.91Å; C197-Y211 HydrophobicContact CB-CE1 4.18Å; W209-Y211 HydrophobicContact CB-CE2 4.13Å
212F95.3Very high95Very high41 Ų4169.3 Ų69.318%0.1836%0.355CS..PPolyproline II helixtrans-80.2152.5172.5-62.3-74.6000111.2I196 R198 F216 F217 F227I196-F212 HydrophobicContact CG2-CE2 4.3Å; R198-F212 HydrophobicContact CG-CE1 4.01Å; R198-F212 HydrophobicContact CG-CE2 4.15Å; R198-F212 HydrophobicContact CG-CZ 3.45Å; R198-F212 VanDerWaalsContact CG-CZ 3.45Å; F212-F216 HydrophobicContact CB-CB 3.67Å; F212-F216 HydrophobicContact CB-CD1 3.84Å; F212-F216 HydrophobicContact CB-CG 3.83Å; F212-F216 HydrophobicContact CD1-CB 4.22Å; F212-F216 AromaticContact CD1-CD1 3.93Å; F212-F216 HydrophobicContact CD1-CD1 3.93Å; F212-F216 AromaticContact CD1-CD2 3.7Å; F212-F216 HydrophobicContact CD1-CD2 3.7Å; F212-F216 HydrophobicContact CD1-CE1 4.17Å; F212-F216 AromaticContact CD1-CE2 3.98Å; F212-F216 HydrophobicContact CD1-CE2 3.98Å; F212-F216 AromaticContact CD1-CG 3.68Å; F212-F216 HydrophobicContact CD1-CG 3.68Å; F212-F216 HydrophobicContact CD1-CZ 4.21Å; F212-F216 AromaticContact CD2-CD1 3.68Å; F212-F216 HydrophobicContact CD2-CD1 3.68Å; F212-F216 AromaticContact CD2-CE1 3.69Å; F212-F216 HydrophobicContact CD2-CE1 3.69Å; F212-F216 HydrophobicContact CD2-CG 4.28Å; F212-F216 HydrophobicContact CD2-CZ 4.32Å; F212-F216 HydrophobicContact CE1-CD1 4.34Å; F212-F216 AromaticContact CE1-CD2 3.9Å; F212-F216 HydrophobicContact CE1-CD2 3.9Å; F212-F216 HydrophobicContact CE1-CE1 4.13Å; F212-F216 AromaticContact CE1-CE2 3.68Å; F212-F216 HydrophobicContact CE1-CE2 3.68Å; F212-F216 HydrophobicContact CE1-CG 4.23Å; F212-F216 AromaticContact CE1-CZ 3.8Å; F212-F216 HydrophobicContact CE1-CZ 3.8Å; F212-F216 HydrophobicContact CE2-CD1 4.12Å; F212-F216 AromaticContact CE2-CE1 3.64Å; F212-F216 HydrophobicContact CE2-CE1 3.64Å; F212-F216 AromaticContact CE2-CZ 3.92Å; F212-F216 HydrophobicContact CE2-CZ 3.92Å; F212-F216 HydrophobicContact CG-CB 4.1Å; F212-F216 AromaticContact CG-CD1 3.55Å; F212-F216 HydrophobicContact CG-CD1 3.55Å; F212-F216 HydrophobicContact CG-CD2 4.19Å; F212-F216 AromaticContact CG-CE1 3.94Å; F212-F216 HydrophobicContact CG-CE1 3.94Å; F212-F216 AromaticContact CG-CG 3.68Å; F212-F216 HydrophobicContact CG-CG 3.68Å; F212-F216 HydrophobicContact CG-CZ 4.43Å; F212-F216 HydrophobicContact CZ-CD1 4.4Å; F212-F216 AromaticContact CZ-CE1 3.83Å; F212-F216 HydrophobicContact CZ-CE1 3.83Å; F212-F216 AromaticContact CZ-CE2 3.99Å; F212-F216 HydrophobicContact CZ-CE2 3.99Å; F212-F216 AromaticContact CZ-CZ 3.61Å; F212-F216 HydrophobicContact CZ-CZ 3.61Å; F212-F217 HydrophobicContact CB-CE2 3.98Å; F212-F217 HydrophobicContact CB-CZ 4.18Å; F212-F217 HydrophobicContact CD2-CZ 4.05Å; F212-F227 HydrophobicContact CE2-CD2 4.34Å; F212-F227 HydrophobicContact CE2-CE1 4.28Å; F212-F227 AromaticContact CE2-CE2 3.73Å; F212-F227 HydrophobicContact CE2-CE2 3.73Å; F212-F227 AromaticContact CE2-CZ 3.69Å; F212-F227 HydrophobicContact CE2-CZ 3.69Å; F212-F227 AromaticContact CZ-CD2 3.86Å; F212-F227 HydrophobicContact CZ-CD2 3.86Å; F212-F227 AromaticContact CZ-CE2 3.65Å; F212-F227 HydrophobicContact CZ-CE2 3.65Å; F212-F227 HydrophobicContact CZ-CG 4.47Å; F212-F227 HydrophobicContact CZ-CZ 4.06Å
213S94.5Very high95Very high74 Ų7467.3 Ų67.352%0.51735%0.345SS..PPolyproline II helixtrans-66.7159.6163.8700000110.2D215 F216S213-D215 PolarHBondContact O-N 2.8Å; S213-D215 VanDerWaalsContact O-N 3.09Å; S213-F216 WeakPolarHBondContact O-CB 3.19Å; S213-F216 PolarHBondContact O-N 3.36Å; S213-F216 VanDerWaalsContact O-N 3.13Å
214S92.5Very high95.1Very high95 Ų9567.5 Ų67.566%0.66435%0.347SS*.THydrogen-bonded Turntrans-57.4-25.2176.352.20000113.5F216 F217S214-F216 VanDerWaalsContact C-N 3.28Å; S214-F216 PolarHBondContact O-N 2.77Å; S214-F217 PolarHBondContact O-N 3.08Å
215D95.4Very high95.2Very high89 Ų8969.2 Ų69.248%0.47636%0.357SS..THydrogen-bonded Turntrans-64.9-31.1179.4-68.3-31.9000113S213 F217 K218S213-D215 PolarHBondContact O-N 2.8Å; S213-D215 VanDerWaalsContact O-N 3.09Å; D215-F217 PolarHBondContact O-N 3.17Å; D215-K218 WeakPolarHBondContact O-CB 3.17Å; D215-K218 PolarHBondContact O-N 2.87Å; D215-K218 VanDerWaalsContact O-N 3.12Å; D215-K218 WeakPolarHBondContact OD1-CE 3.32Å; D215-K218 IonicContact OD1-NZ 3.55Å; D215-K218 PolarHBondContact OD1-NZ 2.7Å
216F94.3Very high95.3Very high44 Ų4470.1 Ų70.119%0.19336%0.364CS..G310 helixtrans-57.7-40.1176.9179.6-101.9000111.6F212 S213 S214 K218 N222 F227F212-F216 HydrophobicContact CB-CB 3.67Å; F212-F216 HydrophobicContact CB-CD1 3.84Å; F212-F216 HydrophobicContact CB-CG 3.83Å; F212-F216 HydrophobicContact CD1-CB 4.22Å; F212-F216 AromaticContact CD1-CD1 3.93Å; F212-F216 HydrophobicContact CD1-CD1 3.93Å; F212-F216 AromaticContact CD1-CD2 3.7Å; F212-F216 HydrophobicContact CD1-CD2 3.7Å; F212-F216 HydrophobicContact CD1-CE1 4.17Å; F212-F216 AromaticContact CD1-CE2 3.98Å; F212-F216 HydrophobicContact CD1-CE2 3.98Å; F212-F216 AromaticContact CD1-CG 3.68Å; F212-F216 HydrophobicContact CD1-CG 3.68Å; F212-F216 HydrophobicContact CD1-CZ 4.21Å; F212-F216 AromaticContact CD2-CD1 3.68Å; F212-F216 HydrophobicContact CD2-CD1 3.68Å; F212-F216 AromaticContact CD2-CE1 3.69Å; F212-F216 HydrophobicContact CD2-CE1 3.69Å; F212-F216 HydrophobicContact CD2-CG 4.28Å; F212-F216 HydrophobicContact CD2-CZ 4.32Å; F212-F216 HydrophobicContact CE1-CD1 4.34Å; F212-F216 AromaticContact CE1-CD2 3.9Å; F212-F216 HydrophobicContact CE1-CD2 3.9Å; F212-F216 HydrophobicContact CE1-CE1 4.13Å; F212-F216 AromaticContact CE1-CE2 3.68Å; F212-F216 HydrophobicContact CE1-CE2 3.68Å; F212-F216 HydrophobicContact CE1-CG 4.23Å; F212-F216 AromaticContact CE1-CZ 3.8Å; F212-F216 HydrophobicContact CE1-CZ 3.8Å; F212-F216 HydrophobicContact CE2-CD1 4.12Å; F212-F216 AromaticContact CE2-CE1 3.64Å; F212-F216 HydrophobicContact CE2-CE1 3.64Å; F212-F216 AromaticContact CE2-CZ 3.92Å; F212-F216 HydrophobicContact CE2-CZ 3.92Å; F212-F216 HydrophobicContact CG-CB 4.1Å; F212-F216 AromaticContact CG-CD1 3.55Å; F212-F216 HydrophobicContact CG-CD1 3.55Å; F212-F216 HydrophobicContact CG-CD2 4.19Å; F212-F216 AromaticContact CG-CE1 3.94Å; F212-F216 HydrophobicContact CG-CE1 3.94Å; F212-F216 AromaticContact CG-CG 3.68Å; F212-F216 HydrophobicContact CG-CG 3.68Å; F212-F216 HydrophobicContact CG-CZ 4.43Å; F212-F216 HydrophobicContact CZ-CD1 4.4Å; F212-F216 AromaticContact CZ-CE1 3.83Å; F212-F216 HydrophobicContact CZ-CE1 3.83Å; F212-F216 AromaticContact CZ-CE2 3.99Å; F212-F216 HydrophobicContact CZ-CE2 3.99Å; F212-F216 AromaticContact CZ-CZ 3.61Å; F212-F216 HydrophobicContact CZ-CZ 3.61Å; S213-F216 WeakPolarHBondContact O-CB 3.19Å; S213-F216 PolarHBondContact O-N 3.36Å; S213-F216 VanDerWaalsContact O-N 3.13Å; S214-F216 VanDerWaalsContact C-N 3.28Å; S214-F216 PolarHBondContact O-N 2.77Å; F216-K218 VanDerWaalsContact C-N 3.28Å; F216-K218 PolarHBondContact O-N 3.26Å; F216-N222 HydrophobicContact CD1-CB 4Å; F216-N222 WeakPolarHBondContact CD2-ND2 3.45Å; F216-N222 HydrophobicContact CE1-CB 3.56Å; F216-N222 HydrophobicContact CE2-CB 4.17Å; F216-N222 WeakPolarHBondContact CE2-ND2 3.3Å; F216-N222 HydrophobicContact CG-CB 4.5Å; F216-N222 HydrophobicContact CZ-CB 3.64Å; F216-N222 PolarHBondContact O-ND2 2.76Å; F216-F227 HydrophobicContact CZ-CD1 4.36Å; F216-F227 HydrophobicContact CZ-CG 4.48Å
217F94.2Very high95.4Very high65 Ų6567.4 Ų67.429%0.28535%0.348SS..G310 helixtrans-81.3-3.8-177.7-57.7-70.5000113.8I196 F212 S214 D215 V219I196-F217 HydrophobicContact CB-CE1 3.87Å; I196-F217 HydrophobicContact CB-CZ 4.02Å; I196-F217 HydrophobicContact CD1-CE1 4.13Å; I196-F217 HydrophobicContact CG2-CE1 4.13Å; I196-F217 HydrophobicContact CG2-CZ 4.44Å; F212-F217 HydrophobicContact CB-CE2 3.98Å; F212-F217 HydrophobicContact CB-CZ 4.18Å; F212-F217 HydrophobicContact CD2-CZ 4.05Å; S214-F217 PolarHBondContact O-N 3.08Å; D215-F217 PolarHBondContact O-N 3.17Å; F217-V219 PolarHBondContact O-N 2.9Å
218K94.9Very high95.4Very high153 Ų15372.9 Ų72.967%0.66537%0.367SS*.G310 helixtrans-67.7-22.1171-67.7178174.9167.30112.3D215 F216 P220D215-K218 WeakPolarHBondContact O-CB 3.17Å; D215-K218 PolarHBondContact O-N 2.87Å; D215-K218 VanDerWaalsContact O-N 3.12Å; D215-K218 WeakPolarHBondContact OD1-CE 3.32Å; D215-K218 IonicContact OD1-NZ 3.55Å; D215-K218 PolarHBondContact OD1-NZ 2.7Å; F216-K218 VanDerWaalsContact C-N 3.28Å; F216-K218 PolarHBondContact O-N 3.26Å; K218-P220 WeakPolarHBondContact O-CD 3.48Å
219V95.6Very high95.6Very high71 Ų7168.7 Ų68.743%0.4335%0.348SS..SBendtrans-89.7108.9172-177.10000107.8F217 T221 N222F217-V219 PolarHBondContact O-N 2.9Å; V219-T221 VanDerWaalsContact C-N 3.25Å; V219-T221 WeakPolarHBondContact CG1-OG1 3.33Å; V219-T221 PolarHBondContact O-N 3.18Å; V219-T221 VanDerWaalsContact O-N 3.15Å; V219-N222 WeakPolarHBondContact O-CB 3.36Å; V219-N222 PolarHBondContact O-N 3.11Å
220P93.2Very high95.7Very high81 Ų8164.2 Ų64.253%0.52633%0.331SS..G310 helixtrans-58.4-34.9-170.1-2836.9000114.2L62 K218 N222 S223L62-P220 HydrophobicContact CD1-CB 3.7Å; K218-P220 WeakPolarHBondContact O-CD 3.48Å; P220-N222 PolarHBondContact O-N 2.93Å; P220-S223 PolarHBondContact O-N 2.67Å; P220-S223 VanDerWaalsContact O-N 3.11Å
221T94.9Very high95.8Very high71 Ų7162.1 Ų62.144%0.43632%0.32SS..G310 helixtrans-63.5-23.3179.652.40000113V219 S223 V224 N225V219-T221 VanDerWaalsContact C-N 3.25Å; V219-T221 WeakPolarHBondContact CG1-OG1 3.33Å; V219-T221 PolarHBondContact O-N 3.18Å; V219-T221 VanDerWaalsContact O-N 3.15Å; T221-S223 PolarHBondContact O-N 3.48Å; T221-V224 PolarHBondContact O-N 3.22Å; T221-V224 VanDerWaalsContact O-N 3.07Å; T221-N225 WeakPolarHBondContact O-CB 3.46Å; T221-N225 PolarHBondContact O-N 2.93Å
222N95.7Very high95.8Very high40 Ų4054.9 Ų54.921%0.21429%0.292CS..G310 helixtrans-68-17.2176.3-75.1-10.4000113.4F216 V219 P220F216-N222 HydrophobicContact CD1-CB 4Å; F216-N222 WeakPolarHBondContact CD2-ND2 3.45Å; F216-N222 HydrophobicContact CE1-CB 3.56Å; F216-N222 HydrophobicContact CE2-CB 4.17Å; F216-N222 WeakPolarHBondContact CE2-ND2 3.3Å; F216-N222 HydrophobicContact CG-CB 4.5Å; F216-N222 HydrophobicContact CZ-CB 3.64Å; F216-N222 PolarHBondContact O-ND2 2.76Å; V219-N222 WeakPolarHBondContact O-CB 3.36Å; V219-N222 PolarHBondContact O-N 3.11Å; P220-N222 PolarHBondContact O-N 2.93Å
223S95.6Very high95.7Very high6 Ų654.5 Ų54.54%0.04229%0.294CS..G310 helixtrans-93.31.4174.8-55.90000113P220 T221 P279P220-S223 PolarHBondContact O-N 2.67Å; P220-S223 VanDerWaalsContact O-N 3.11Å; T221-S223 PolarHBondContact O-N 3.48Å; S223-P279 VanDerWaalsContact O-CB 3.24Å; S223-P279 WeakPolarHBondContact O-CB 3.07Å
224V96.9Very high95.3Very high16 Ų1651 Ų5110%0.09727%0.27CS..THydrogen-bonded Turntrans-127.5-59.1-173.21790000110.6L62 E66 T221L62-V224 HydrophobicContact CB-CG2 3.43Å; L62-V224 VanDerWaalsContact CB-CG2 3.43Å; L62-V224 HydrophobicContact CD1-CG2 4.23Å; L62-V224 HydrophobicContact CG-CG2 4.49Å; E66-V224 HydrophobicContact CG-CG1 3.65Å; E66-V224 WeakPolarHBondContact OE1-CG1 3.46Å; T221-V224 PolarHBondContact O-N 3.22Å; T221-V224 VanDerWaalsContact O-N 3.07Å
225N96.4Very high95.1Very high88 Ų8846.8 Ų46.847%0.47124%0.242SC..SBendtrans-68.2145-177.3-65.52.4000110.4T221 P279T221-N225 WeakPolarHBondContact O-CB 3.46Å; T221-N225 PolarHBondContact O-N 2.93Å; N225-P279 VanDerWaalsContact O-CD 3.28Å; N225-P279 WeakPolarHBondContact O-CD 3.49Å; N225-P279 WeakPolarHBondContact O-CG 3.37Å
226S97.2Very high95.1Very high27 Ų2742.7 Ų42.719%0.18922%0.22CC..  trans-63.3147.9170.963.30000110.8R169 E276 I277R169-S226 WeakPolarHBondContact CD-OG 3.46Å; R169-S226 WeakPolarHBondContact CG-OG 3.42Å; R169-S226 PolarHBondContact NE-OG 3Å; S226-E276 VanDerWaalsContact CB-OE2 3.28Å; S226-E276 WeakPolarHBondContact CB-OE2 3.26Å; S226-E276 PolarHBondContact OG-OE2 3.17Å; S226-I277 WeakPolarHBondContact CA-O 3.46Å; S226-I277 WeakPolarHBondContact CB-O 3.46Å
227F96.7Very high95.3Very high24 Ų2440.7 Ų40.711%0.10521%0.211CC..EExtended strand (participates in β ladder)trans-134.6152.4179.459.1-99.1000111.5I196 R198 F212 F216 E276 I277 P279I196-F227 HydrophobicContact CG2-CE1 3.32Å; I196-F227 HydrophobicContact CG2-CZ 3.44Å; I196-F227 VanDerWaalsContact CG2-CZ 3.44Å; R198-F227 HydrophobicContact CG-CD2 4.01Å; R198-F227 HydrophobicContact CG-CE2 3.68Å; F212-F227 HydrophobicContact CE2-CD2 4.34Å; F212-F227 HydrophobicContact CE2-CE1 4.28Å; F212-F227 AromaticContact CE2-CE2 3.73Å; F212-F227 HydrophobicContact CE2-CE2 3.73Å; F212-F227 AromaticContact CE2-CZ 3.69Å; F212-F227 HydrophobicContact CE2-CZ 3.69Å; F212-F227 AromaticContact CZ-CD2 3.86Å; F212-F227 HydrophobicContact CZ-CD2 3.86Å; F212-F227 AromaticContact CZ-CE2 3.65Å; F212-F227 HydrophobicContact CZ-CE2 3.65Å; F212-F227 HydrophobicContact CZ-CG 4.47Å; F212-F227 HydrophobicContact CZ-CZ 4.06Å; F216-F227 HydrophobicContact CZ-CD1 4.36Å; F216-F227 HydrophobicContact CZ-CG 4.48Å; F227-E276 CarbonylContact O-C 3.24Å; F227-E276 WeakPolarHBondContact O-CA 3.21Å; F227-E276 WeakPolarHBondContact O-CB 3.4Å; F227-I277 HydrophobicContact CD2-CB 4.37Å; F227-I277 HydrophobicContact CE1-CB 4.24Å; F227-I277 HydrophobicContact CE1-CG2 4.38Å; F227-I277 HydrophobicContact CE2-CB 3.71Å; F227-I277 HydrophobicContact CE2-CG1 3.91Å; F227-I277 HydrophobicContact CE2-CG2 4.41Å; F227-I277 HydrophobicContact CZ-CB 3.64Å; F227-I277 HydrophobicContact CZ-CG1 4.21Å; F227-I277 HydrophobicContact CZ-CG2 3.87Å; F227-I277 PolarHBondContact N-O 2.81Å; F227-I277 PolarHBondContact O-N 3.39Å; F227-P279 HydrophobicContact CD1-CG 4.03Å; F227-P279 HydrophobicContact CE1-CG 3.74Å
228R97.3Very high95.5Very high164 Ų16437.6 Ų37.662%0.61920%0.197SC*.EExtended strand (participates in β ladder)trans-66.8140.9-177.2-68.4177.6170.4-168.11.5112.3R198 W269 L275 E276R198-R228 WeakPolarHBondContact CD-O 3.28Å; R228-W269 HydrophobicContact CB-CH2 4.16Å; R228-W269 HydrophobicContact CB-CZ2 4.19Å; R228-W269 HydrophobicContact CG-CH2 3.91Å; R228-W269 HydrophobicContact CG-CZ2 4.37Å; R228-L275 WeakPolarHBondContact CA-O 3.42Å; R228-E276 HydrophobicContact CG-CG 4.32Å
229T98.3Very high95.6Very high0 Ų030.3 Ų30.30%017%0.166CC..  trans-131.8137.9176.9-175.40000111.3G199 A231 V232 W269 L275 I277G199-T229 PolarHBondContact N-OG1 2.88Å; G199-T229 PolarHBondContact O-OG1 3.3Å; T229-A231 VanDerWaalsContact C-N 3.29Å; T229-A231 WeakPolarHBondContact CG2-O 3.18Å; T229-A231 PolarHBondContact O-N 2.85Å; T229-A231 PolarHBondContact OG1-O 3.22Å; T229-V232 HydrophobicContact CG2-CG1 3.95Å; T229-W269 PolarHBondContact O-NE1 3.05Å; T229-L275 HydrophobicContact CG2-CB 3.78Å; T229-L275 PolarHBondContact N-O 2.81Å; T229-L275 WeakPolarHBondContact O-CB 3.31Å; T229-I277 HydrophobicContact CG2-CD1 3.88Å; T229-I277 HydrophobicContact CG2-CG1 3.91Å
230P98.3Very high95.8Very high2 Ų229.3 Ų29.31%0.01316%0.158CC..SBendtrans-57.3-40.7174.8-28.134.1000113.9G199 W269 Y354 V358 F359G199-P230 WeakPolarHBondContact O-CB 3.49Å; G199-P230 WeakPolarHBondContact O-CD 3.4Å; P230-W269 PolarHBondContact O-NE1 2.76Å; P230-Y354 PolarHBondContact O-OH 3.19Å; P230-V358 HydrophobicContact CB-CG1 4.37Å; P230-F359 HydrophobicContact CB-CB 3.9Å; P230-F359 HydrophobicContact CB-CD1 3.8Å; P230-F359 HydrophobicContact CB-CD2 4.09Å; P230-F359 HydrophobicContact CB-CE1 4.35Å; P230-F359 HydrophobicContact CB-CG 3.67Å; P230-F359 HydrophobicContact CG-CB 4.06Å; P230-F359 HydrophobicContact CG-CD1 4.32Å; P230-F359 HydrophobicContact CG-CD2 3.68Å; P230-F359 HydrophobicContact CG-CE2 4.21Å; P230-F359 HydrophobicContact CG-CG 3.76Å
231A98.3Very high96Very high0 Ų027.7 Ų27.70%014%0.143CC..BIsolated β-bridgetrans-143.4162.3179.100000112.2G199 F201 F207 T229 I262 S265G199-A231 CarbonylContact C-O 3.46Å; G199-A231 VanDerWaalsContact CA-O 3.27Å; G199-A231 WeakPolarHBondContact CA-O 3.5Å; G199-A231 PolarHBondContact O-N 2.8Å; F201-A231 HydrophobicContact CD1-CB 4.06Å; F201-A231 HydrophobicContact CE1-CB 4.39Å; F207-A231 HydrophobicContact CD2-CB 4.37Å; F207-A231 HydrophobicContact CE2-CB 4.19Å; T229-A231 VanDerWaalsContact C-N 3.29Å; T229-A231 WeakPolarHBondContact CG2-O 3.18Å; T229-A231 PolarHBondContact O-N 2.85Å; T229-A231 PolarHBondContact OG1-O 3.22Å; A231-I262 HydrophobicContact CB-CD1 4.17Å; A231-S265 WeakPolarHBondContact CA-OG 2.97Å
232V97.1Very high96.1Very high1 Ų132.4 Ų32.41%0.00616%0.157CC..  trans-113.2154.9169.2-65.90000110.2F207 T229 G234 N261 S265 L275 I277F207-V232 WeakPolarHBondContact CE2-O 3.46Å; T229-V232 HydrophobicContact CG2-CG1 3.95Å; V232-G234 PolarHBondContact O-N 3.47Å; V232-N261 PolarHBondContact O-ND2 3.11Å; V232-S265 PolarHBondContact N-OG 2.04Å; V232-S265 VanDerWaalsContact N-OG 3.12Å; V232-L275 HydrophobicContact CG1-CB 4.43Å; V232-L275 HydrophobicContact CG1-CD2 3.82Å; V232-L275 HydrophobicContact CG2-CD2 4.04Å; V232-I277 HydrophobicContact CG1-CD1 4.36Å
233S92.4Very high96.2Very high33 Ų3331.4 Ų31.423%0.23115%0.151CC..  trans-64.3-23.1178.462.80000112.4G235 N261S233-G235 VanDerWaalsContact C-N 3.3Å; S233-G235 PolarHBondContact O-N 3.26Å; S233-N261 WeakPolarHBondContact O-CB 3.23Å; S233-N261 PolarHBondContact O-ND2 3.1Å
234G86Confident96.3Very high0 Ų031.1 Ų31.10%015%0.149CC..SBendtrans87.3-21173.100000115.3R137 V232 L236R137-G234 VanDerWaalsContact CZ-O 3.27Å; R137-G234 PolarHBondContact NH1-O 2.91Å; R137-G234 PolarHBondContact NH2-O 3.35Å; V232-G234 PolarHBondContact O-N 3.47Å; G234-L236 VanDerWaalsContact C-N 3.33Å
235G87.6Confident96.3Very high8 Ų833.4 Ų33.48%0.08216%0.158CC..SBendtrans-63.5-38176.300000113.7R137 D153 S233R137-G235 PolarHBondContact NH2-O 3.35Å; D153-G235 PolarHBondContact N-O 3.11Å; D153-G235 WeakPolarHBondContact OD1-CA 3.38Å; S233-G235 VanDerWaalsContact C-N 3.3Å; S233-G235 PolarHBondContact O-N 3.26Å
236L97Very high96.4Very high2 Ų235 Ų351%0.0116%0.163CC..SBendtrans-131.9108.4-172.5-6279.9000109.1F151 L152 S178 P179 V181 G234 V283F151-L236 VanDerWaalsContact O-CA 3.31Å; F151-L236 WeakPolarHBondContact O-CA 3.39Å; L152-L236 HydrophobicContact CD2-CB 4.17Å; L152-L236 HydrophobicContact CD2-CD2 3.94Å; L152-L236 HydrophobicContact CD2-CG 3.9Å; S178-L236 WeakPolarHBondContact CB-O 3.08Å; S178-L236 PolarHBondContact OG-O 2.8Å; P179-L236 HydrophobicContact CG-CB 3.81Å; P179-L236 HydrophobicContact CG-CD2 3.94Å; V181-L236 HydrophobicContact CG1-CD1 4.39Å; V181-L236 HydrophobicContact CG2-CD1 4.31Å; V181-L236 HydrophobicContact CG2-CD2 4.4Å; G234-L236 VanDerWaalsContact C-N 3.33Å; L236-V283 HydrophobicContact CD2-CB 3.55Å; L236-V283 HydrophobicContact CD2-CG1 3.38Å; L236-V283 HydrophobicContact CD2-CG2 4.35Å
237L97.3Very high96.4Very high2 Ų233.9 Ų33.91%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-151.2152.5177.470.390000112.2V150 F151 V176 L177 V239 F250 F264V150-L237 CarbonylContact C-O 3.44Å; V150-L237 WeakPolarHBondContact CA-O 3.22Å; F151-L237 HydrophobicContact CB-CG 4.41Å; F151-L237 HydrophobicContact CD2-CD1 3.44Å; F151-L237 VanDerWaalsContact CD2-CD1 3.44Å; F151-L237 HydrophobicContact CD2-CG 3.86Å; F151-L237 HydrophobicContact CE2-CD1 3.89Å; F151-L237 PolarHBondContact N-O 3.19Å; F151-L237 PolarHBondContact O-N 2.57Å; V176-L237 HydrophobicContact CG1-CB 4.27Å; V176-L237 HydrophobicContact CG1-CD1 4.18Å; L177-L237 CarbonylContact O-C 3.56Å; L177-L237 VanDerWaalsContact O-CA 3.22Å; L177-L237 WeakPolarHBondContact O-CA 3.39Å; L237-V239 HydrophobicContact CD1-CB 4.28Å; L237-V239 HydrophobicContact CD1-CG1 3.87Å; L237-F250 HydrophobicContact CD2-CZ 4.29Å; L237-F264 HydrophobicContact CD1-CE1 4.45Å; L237-F264 HydrophobicContact CD2-CD1 4.33Å; L237-F264 HydrophobicContact CD2-CE1 4.31Å
238A98.5Very high96.4Very high0 Ų033.4 Ų33.40%016%0.157CC..EExtended strand (participates in β ladder)trans-120.5136.2173.600000109.8V148 L149 V150 L166 I170 L177V148-A238 HydrophobicContact CG1-CB 4.34Å; L149-A238 CarbonylContact O-C 3.55Å; L149-A238 VanDerWaalsContact O-CA 3.3Å; L149-A238 WeakPolarHBondContact O-CA 3.31Å; V150-A238 HydrophobicContact CG2-CB 3.92Å; L166-A238 HydrophobicContact CB-CB 4.19Å; L166-A238 HydrophobicContact CD1-CB 4.2Å; I170-A238 HydrophobicContact CD1-CB 3.48Å; I170-A238 VanDerWaalsContact CD1-CB 3.48Å; L177-A238 PolarHBondContact N-O 2.95Å; L177-A238 PolarHBondContact O-N 2.86Å
239V98.3Very high96.4Very high0 Ų026.7 Ų26.70%013%0.133CC..EExtended strand (participates in β ladder)trans-152.3141.6-178.359.90000110.9V148 L149 F151 V176 L237 K241 F243 F244V148-V239 WeakPolarHBondContact CG1-O 3.5Å; L149-V239 HydrophobicContact CB-CG1 4.16Å; L149-V239 PolarHBondContact N-O 3.02Å; L149-V239 PolarHBondContact O-N 2.87Å; F151-V239 HydrophobicContact CE2-CG1 4.22Å; V176-V239 HydrophobicContact CG2-CB 4.08Å; V176-V239 HydrophobicContact CG2-CG2 3.68Å; L237-V239 HydrophobicContact CD1-CB 4.28Å; L237-V239 HydrophobicContact CD1-CG1 3.87Å; V239-K241 PolarHBondContact O-N 3.14Å; V239-F243 HydrophobicContact CG2-CD1 3.96Å; V239-F244 HydrophobicContact CG1-CB 3.89Å; V239-F244 HydrophobicContact CG1-CD2 3.97Å; V239-F244 HydrophobicContact CG1-CG 4.18Å; V239-F244 HydrophobicContact CG2-CB 4.08Å
240N98.2Very high96.4Very high50 Ų5026.7 Ų26.727%0.26713%0.133SC..EExtended strand (participates in β ladder)trans-57.4129.2171-177.1-76.2000110.5I170 K242 F243 F244I170-N240 HydrophobicContact CG2-CB 3.98Å; N240-K242 VanDerWaalsContact C-N 3.34Å; N240-K242 PolarHBondContact O-N 3.48Å; N240-K242 WeakPolarHBondContact OD1-CB 3.21Å; N240-K242 PolarHBondContact OD1-N 2.72Å; N240-F243 HydrophobicContact CB-CB 3.99Å; N240-F243 WeakPolarHBondContact O-CB 3.3Å; N240-F243 PolarHBondContact O-N 3.26Å; N240-F243 VanDerWaalsContact O-N 3.11Å; N240-F243 PolarHBondContact OD1-N 3.23Å; N240-F244 PolarHBondContact O-N 2.65Å
241K98Very high96.3Very high47 Ų4726.8 Ų26.820%0.20413%0.133CC..Hα-helixtrans-56.6-45.1-175.2-178.6-179178-166.60112.5A144 Q147 L149 V239 F243 F244 H245A144-K241 VanDerWaalsContact O-CE 3.31Å; A144-K241 WeakPolarHBondContact O-CE 3.34Å; A144-K241 PolarHBondContact O-NZ 2.68Å; Q147-K241 WeakPolarHBondContact O-CB 3.35Å; Q147-K241 PolarHBondContact O-N 3.09Å; L149-K241 HydrophobicContact CD1-CB 4.37Å; L149-K241 HydrophobicContact CD1-CG 4.18Å; L149-K241 HydrophobicContact CD2-CB 4.07Å; L149-K241 HydrophobicContact CD2-CD 4.18Å; L149-K241 HydrophobicContact CD2-CG 3.96Å; L149-K241 HydrophobicContact CG-CB 3.89Å; L149-K241 HydrophobicContact CG-CG 4.07Å; V239-K241 PolarHBondContact O-N 3.14Å; K241-F243 VanDerWaalsContact C-N 3.32Å; K241-F243 PolarHBondContact O-N 3.33Å; K241-F244 PolarHBondContact O-N 2.93Å; K241-H245 WeakPolarHBondContact CE-NE2 3.43Å; K241-H245 PolarHBondContact O-CD2 3.03Å; K241-H245 PolarHBondContact O-N 3.3Å; K241-H245 VanDerWaalsContact O-N 3.12Å
242K97.2Very high96.2Very high171 Ų17128.8 Ų28.874%0.74315%0.147SC*.Hα-helixtrans-63.5-42.1179.7-65.7-179.7179.11770110.9N240 H245 Q246N240-K242 VanDerWaalsContact C-N 3.34Å; N240-K242 PolarHBondContact O-N 3.48Å; N240-K242 WeakPolarHBondContact OD1-CB 3.21Å; N240-K242 PolarHBondContact OD1-N 2.72Å; K242-H245 PolarHBondContact O-N 2.86Å; K242-Q246 WeakPolarHBondContact O-CB 3.25Å; K242-Q246 PolarHBondContact O-N 3.02Å
243F97.4Very high96.1Very high18 Ų1829.8 Ų29.88%0.07916%0.157CC..Hα-helixtrans-64.5-42177.7-174.2-128.5000112A174 V176 V239 N240 K241 H245 Q246 L247A174-F243 HydrophobicContact CB-CD1 4.17Å; A174-F243 HydrophobicContact CB-CD2 3.99Å; A174-F243 HydrophobicContact CB-CE1 4.03Å; A174-F243 HydrophobicContact CB-CE2 3.87Å; A174-F243 HydrophobicContact CB-CG 4.15Å; A174-F243 HydrophobicContact CB-CZ 3.89Å; A174-F243 WeakPolarHBondContact O-CE1 3.43Å; V176-F243 HydrophobicContact CG2-CE1 4.38Å; V239-F243 HydrophobicContact CG2-CD1 3.96Å; N240-F243 HydrophobicContact CB-CB 3.99Å; N240-F243 WeakPolarHBondContact O-CB 3.3Å; N240-F243 PolarHBondContact O-N 3.26Å; N240-F243 VanDerWaalsContact O-N 3.11Å; N240-F243 PolarHBondContact OD1-N 3.23Å; K241-F243 VanDerWaalsContact C-N 3.32Å; K241-F243 PolarHBondContact O-N 3.33Å; F243-H245 PolarHBondContact O-N 3.18Å; F243-Q246 PolarHBondContact O-N 3.33Å; F243-L247 HydrophobicContact CD1-CD1 4.03Å; F243-L247 HydrophobicContact CD2-CD1 4.4Å; F243-L247 HydrophobicContact CD2-CG 4.2Å; F243-L247 HydrophobicContact CE1-CD1 3.57Å; F243-L247 HydrophobicContact CE1-CG 4.33Å; F243-L247 HydrophobicContact CE2-CD1 3.96Å; F243-L247 HydrophobicContact CE2-CD2 4.01Å; F243-L247 HydrophobicContact CE2-CG 3.81Å; F243-L247 HydrophobicContact CG-CD1 4.43Å; F243-L247 HydrophobicContact CZ-CD1 3.52Å; F243-L247 HydrophobicContact CZ-CD2 4.05Å; F243-L247 HydrophobicContact CZ-CG 3.88Å; F243-L247 WeakPolarHBondContact O-CB 3.3Å; F243-L247 WeakPolarHBondContact O-CG 3.49Å; F243-L247 PolarHBondContact O-N 3.43Å
244F97.9Very high96.2Very high0 Ų028.2 Ų28.20%015%0.146CC..Hα-helixtrans-57.3-46.2174.7-179.3-104000112.5A141 L149 F151 V239 N240 K241 L247 G248 E249 F250 F264A141-F244 HydrophobicContact CB-CD1 4.06Å; A141-F244 HydrophobicContact CB-CE1 3.53Å; A141-F244 HydrophobicContact CB-CZ 4.39Å; L149-F244 HydrophobicContact CD1-CB 4.15Å; L149-F244 HydrophobicContact CD1-CD1 3.66Å; L149-F244 HydrophobicContact CD1-CE1 4.28Å; L149-F244 HydrophobicContact CD1-CG 4Å; F151-F244 HydrophobicContact CE2-CE2 4.42Å; F151-F244 HydrophobicContact CZ-CE1 4.44Å; F151-F244 HydrophobicContact CZ-CE2 4.37Å; F151-F244 HydrophobicContact CZ-CZ 4.12Å; V239-F244 HydrophobicContact CG1-CB 3.89Å; V239-F244 HydrophobicContact CG1-CD2 3.97Å; V239-F244 HydrophobicContact CG1-CG 4.18Å; V239-F244 HydrophobicContact CG2-CB 4.08Å; N240-F244 PolarHBondContact O-N 2.65Å; K241-F244 PolarHBondContact O-N 2.93Å; F244-L247 PolarHBondContact O-N 3.29Å; F244-G248 PolarHBondContact O-N 2.8Å; F244-E249 HydrophobicContact CD1-CB 4.3Å; F244-E249 HydrophobicContact CD1-CG 4.03Å; F244-E249 HydrophobicContact CE1-CB 3.6Å; F244-E249 HydrophobicContact CE1-CG 3.68Å; F244-E249 HydrophobicContact CZ-CB 3.8Å; F244-E249 HydrophobicContact CZ-CG 4.39Å; F244-E249 PolarHBondContact O-N 2.98Å; F244-F250 HydrophobicContact CE2-CD2 4.08Å; F244-F250 AromaticContact CE2-CE2 3.94Å; F244-F250 HydrophobicContact CE2-CE2 3.94Å; F244-F250 HydrophobicContact CE2-CZ 4.35Å; F244-F250 AromaticContact CZ-CD2 3.79Å; F244-F250 HydrophobicContact CZ-CD2 3.79Å; F244-F250 AromaticContact CZ-CE2 3.95Å; F244-F250 HydrophobicContact CZ-CE2 3.95Å; F244-F250 HydrophobicContact CZ-CG 4.48Å; F244-F264 HydrophobicContact CD2-CE2 4.1Å; F244-F264 AromaticContact CD2-CZ 3.83Å; F244-F264 HydrophobicContact CD2-CZ 3.83Å; F244-F264 HydrophobicContact CE2-CE2 4.22Å; F244-F264 HydrophobicContact CE2-CZ 4.14Å
245H97.6Very high96.5Very high64 Ų6430 Ų3030%0.29616%0.156SC..Hα-helixtrans-69-39.6176.2-64.5-61.4000112.6K241 K242 F243 L247 G248 E249K241-H245 WeakPolarHBondContact CE-NE2 3.43Å; K241-H245 PolarHBondContact O-CD2 3.03Å; K241-H245 PolarHBondContact O-N 3.3Å; K241-H245 VanDerWaalsContact O-N 3.12Å; K242-H245 PolarHBondContact O-N 2.86Å; F243-H245 PolarHBondContact O-N 3.18Å; H245-L247 VanDerWaalsContact C-N 3.27Å; H245-L247 PolarHBondContact O-N 3.37Å; H245-G248 PolarHBondContact O-N 2.97Å; H245-E249 IonicContact CE1-OE1 3.11Å; H245-E249 PolarHBondContact CE1-OE1 2.82Å; H245-E249 IonicContact ND1-OE1 3.83Å; H245-E249 PolarHBondContact ND1-OE1 2.88Å
246Q96.8Very high96.5Very high123 Ų12330.1 Ų30.158%0.57516%0.155SC*.Hα-helixtrans-58.9-40.7176.1178.5-178.8-11.200111.5K242 F243 G248 L346K242-Q246 WeakPolarHBondContact O-CB 3.25Å; K242-Q246 PolarHBondContact O-N 3.02Å; F243-Q246 PolarHBondContact O-N 3.33Å; Q246-G248 PolarHBondContact O-N 3.38Å; Q246-L346 HydrophobicContact CG-CD2 4.29Å
247L97.4Very high96.1Very high2 Ų234.3 Ų34.31%0.0117%0.17CC..THydrogen-bonded Turntrans-69.2-8.7175.5-73.2177.3000113.1F243 F244 H245 F264 R267 V268 C271 L342 L346F243-L247 HydrophobicContact CD1-CD1 4.03Å; F243-L247 HydrophobicContact CD2-CD1 4.4Å; F243-L247 HydrophobicContact CD2-CG 4.2Å; F243-L247 HydrophobicContact CE1-CD1 3.57Å; F243-L247 HydrophobicContact CE1-CG 4.33Å; F243-L247 HydrophobicContact CE2-CD1 3.96Å; F243-L247 HydrophobicContact CE2-CD2 4.01Å; F243-L247 HydrophobicContact CE2-CG 3.81Å; F243-L247 HydrophobicContact CG-CD1 4.43Å; F243-L247 HydrophobicContact CZ-CD1 3.52Å; F243-L247 HydrophobicContact CZ-CD2 4.05Å; F243-L247 HydrophobicContact CZ-CG 3.88Å; F243-L247 WeakPolarHBondContact O-CB 3.3Å; F243-L247 WeakPolarHBondContact O-CG 3.49Å; F243-L247 PolarHBondContact O-N 3.43Å; F244-L247 PolarHBondContact O-N 3.29Å; H245-L247 VanDerWaalsContact C-N 3.27Å; H245-L247 PolarHBondContact O-N 3.37Å; L247-F264 HydrophobicContact CD1-CE2 4.07Å; L247-F264 HydrophobicContact CD1-CZ 4.35Å; L247-R267 WeakPolarHBondContact O-CD 3.5Å; L247-R267 PolarHBondContact O-NH1 3.42Å; L247-V268 HydrophobicContact CD1-CB 4.47Å; L247-V268 HydrophobicContact CD1-CG2 3.65Å; L247-C271 HydrophobicContact CD2-CB 3.92Å; L247-L342 WeakPolarHBondContact O-CD2 3.29Å; L247-L346 HydrophobicContact CD2-CD1 4.43Å
248G97.7Very high95.7Very high15 Ų1534.2 Ų34.216%0.15517%0.17CC..THydrogen-bonded Turntrans85.329.5-177.900000114.2F244 H245 Q246 R339F244-G248 PolarHBondContact O-N 2.8Å; H245-G248 PolarHBondContact O-N 2.97Å; Q246-G248 PolarHBondContact O-N 3.38Å; G248-R339 PolarHBondContact O-NH1 3.47Å; G248-R339 PolarHBondContact O-NH2 2.97Å
249E97.5Very high95.5Very high23 Ų2334.7 Ų34.711%0.10717%0.174CC..  trans56.5-144.8173-54.5173.6166.600112I138 R142 F244 H245 R267I138-E249 HydrophobicContact CG1-CB 4.41Å; I138-E249 VanDerWaalsContact CG2-OE2 3.26Å; I138-E249 WeakPolarHBondContact CG2-OE2 3.4Å; R142-E249 IonicContact CZ-OE2 3.98Å; R142-E249 VanDerWaalsContact CZ-OE2 3.31Å; R142-E249 IonicContact NE-OE1 2.91Å; R142-E249 PolarHBondContact NE-OE1 3.03Å; R142-E249 IonicContact NE-OE2 3.64Å; R142-E249 PolarHBondContact NE-OE2 3.23Å; R142-E249 VanDerWaalsContact NE-OE2 3.1Å; R142-E249 IonicContact NH2-OE1 2.71Å; R142-E249 IonicContact NH2-OE2 3Å; R142-E249 PolarHBondContact NH2-OE2 3.15Å; F244-E249 HydrophobicContact CD1-CB 4.3Å; F244-E249 HydrophobicContact CD1-CG 4.03Å; F244-E249 HydrophobicContact CE1-CB 3.6Å; F244-E249 HydrophobicContact CE1-CG 3.68Å; F244-E249 HydrophobicContact CZ-CB 3.8Å; F244-E249 HydrophobicContact CZ-CG 4.39Å; F244-E249 PolarHBondContact O-N 2.98Å; H245-E249 IonicContact CE1-OE1 3.11Å; H245-E249 PolarHBondContact CE1-OE1 2.82Å; H245-E249 IonicContact ND1-OE1 3.83Å; H245-E249 PolarHBondContact ND1-OE1 2.88Å; E249-R267 PolarHBondContact O-NH1 2.75Å; E249-R267 PolarHBondContact O-NH2 3.11Å
250F97.4Very high95.5Very high0 Ų035 Ų350%018%0.175CC..SBendtrans-89.7163.6163.6-69.9-68.9000111I134 R137 I138 F151 L237 F244 S252 E260 F264 R339I134-F250 HydrophobicContact CG2-CB 3.67Å; I134-F250 HydrophobicContact CG2-CG 4.32Å; R137-F250 HydrophobicContact CB-CD2 4.05Å; R137-F250 HydrophobicContact CB-CE2 3.95Å; R137-F250 HydrophobicContact CG-CE2 4.45Å; I138-F250 HydrophobicContact CD1-CB 3.98Å; I138-F250 WeakPolarHBondContact CD1-O 3.47Å; I138-F250 HydrophobicContact CG1-CB 3.97Å; I138-F250 HydrophobicContact CG1-CD2 4.44Å; F151-F250 HydrophobicContact CZ-CE2 4.45Å; L237-F250 HydrophobicContact CD2-CZ 4.29Å; F244-F250 HydrophobicContact CE2-CD2 4.08Å; F244-F250 AromaticContact CE2-CE2 3.94Å; F244-F250 HydrophobicContact CE2-CE2 3.94Å; F244-F250 HydrophobicContact CE2-CZ 4.35Å; F244-F250 AromaticContact CZ-CD2 3.79Å; F244-F250 HydrophobicContact CZ-CD2 3.79Å; F244-F250 AromaticContact CZ-CE2 3.95Å; F244-F250 HydrophobicContact CZ-CE2 3.95Å; F244-F250 HydrophobicContact CZ-CG 4.48Å; F250-S252 PolarHBondContact O-N 3.25Å; F250-E260 HydrophobicContact CD1-CB 4.37Å; F250-E260 HydrophobicContact CD1-CG 4.47Å; F250-E260 HydrophobicContact CE1-CG 4.42Å; F250-F264 HydrophobicContact CD1-CB 4.05Å; F250-F264 HydrophobicContact CD1-CG 4.25Å; F250-F264 HydrophobicContact CE1-CB 3.78Å; F250-F264 AromaticContact CE1-CD1 3.99Å; F250-F264 HydrophobicContact CE1-CD1 3.99Å; F250-F264 HydrophobicContact CE1-CD2 4.42Å; F250-F264 AromaticContact CE1-CG 3.81Å; F250-F264 HydrophobicContact CE1-CG 3.81Å; F250-F264 HydrophobicContact CZ-CD1 4.48Å; F250-R339 PolarHBondContact O-NH2 2.56Å
251D97.7Very high95.4Very high3 Ų333.3 Ų33.32%0.01617%0.166CC..  trans-68.2101.2171.9-172.510000112.7G253 M254 R308 R339D251-G253 PolarHBondContact O-N 3.16Å; D251-G253 VanDerWaalsContact O-N 3.13Å; D251-G253 PolarHBondContact OD1-N 2.84Å; D251-M254 HydrophobicContact CB-CE 4.29Å; D251-M254 HydrophobicContact CB-CG 3.89Å; D251-M254 HydrophobicContact CB-SD 4.14Å; D251-M254 VanDerWaalsContact O-CB 3.29Å; D251-M254 WeakPolarHBondContact O-CB 3.35Å; D251-M254 PolarHBondContact O-N 3.12Å; D251-R308 VanDerWaalsContact CG-NH2 3.31Å; D251-R308 IonicContact OD1-CZ 2.66Å; D251-R308 IonicContact OD1-NE 3.11Å; D251-R308 IonicContact OD1-NH2 2.75Å; D251-R308 PolarHBondContact OD1-NH2 2.92Å; D251-R308 IonicContact OD2-CZ 2.87Å; D251-R308 VanDerWaalsContact OD2-CZ 3.23Å; D251-R308 IonicContact OD2-NE 3.41Å; D251-R308 PolarHBondContact OD2-NE 2.83Å; D251-R308 IonicContact OD2-NH2 3.2Å; D251-R308 PolarHBondContact OD2-NH2 3.3Å; D251-R339 IonicContact OD1-CZ 3.17Å; D251-R339 IonicContact OD1-NE 3.49Å; D251-R339 PolarHBondContact OD1-NE 3.2Å; D251-R339 IonicContact OD1-NH2 2.91Å
252S95.7Very high95.4Very high43 Ų4331.1 Ų31.130%0.30116%0.157SC..THydrogen-bonded Turntrans-59.7-20.8178.256.30000113.6R135 F250 M254R135-S252 PolarHBondContact NH1-O 2.89Å; F250-S252 PolarHBondContact O-N 3.25Å; S252-M254 VanDerWaalsContact C-N 3.29Å
253G95Very high95.5Very high21 Ų2123 Ų2322%0.21612%0.122CC..THydrogen-bonded Turntrans-79.5-6.5173.900000114.7D251D251-G253 PolarHBondContact O-N 3.16Å; D251-G253 VanDerWaalsContact O-N 3.13Å; D251-G253 PolarHBondContact OD1-N 2.84Å
254M94.7Very high95.5Very high0 Ų022.2 Ų22.20%012%0.118CC..SBendtrans-81.5144.3170.6-68.1-174.1171.100111.6I134 R135 D251 S252 E260 E263 N305 R308 I309I134-M254 HydrophobicContact CD1-CB 3.38Å; I134-M254 HydrophobicContact CD1-CG 4.42Å; I134-M254 HydrophobicContact CD1-SD 4.25Å; I134-M254 HydrophobicContact CG2-CB 4.45Å; R135-M254 PolarHBondContact NH1-O 3.43Å; D251-M254 HydrophobicContact CB-CE 4.29Å; D251-M254 HydrophobicContact CB-CG 3.89Å; D251-M254 HydrophobicContact CB-SD 4.14Å; D251-M254 VanDerWaalsContact O-CB 3.29Å; D251-M254 WeakPolarHBondContact O-CB 3.35Å; D251-M254 PolarHBondContact O-N 3.12Å; S252-M254 VanDerWaalsContact C-N 3.29Å; M254-E260 HydrophobicContact SD-CB 4.02Å; M254-E263 HydrophobicContact CE-CB 3.64Å; M254-E263 HydrophobicContact CE-CG 3.7Å; M254-E263 HydrophobicContact SD-CB 4.49Å; M254-N305 WeakPolarHBondContact CA-OD1 3.48Å; M254-N305 HydrophobicContact CB-CB 4.24Å; M254-N305 WeakPolarHBondContact CB-OD1 3.41Å; M254-N305 HydrophobicContact CE-CB 4.23Å; M254-N305 WeakPolarHBondContact CE-O 3.44Å; M254-N305 HydrophobicContact CG-CB 3.89Å; M254-N305 HydrophobicContact SD-CB 4.01Å; M254-R308 HydrophobicContact CE-CB 4.44Å; M254-I309 HydrophobicContact CE-CD1 4.07Å; M254-I309 HydrophobicContact CE-CG1 3.58Å
255D91.2Very high95.5Very high37 Ų3722.2 Ų22.220%0.19812%0.118CC..  trans-108139.6-174.9-69.6-40.7000112.5R135 W257 T301 K304 N305R135-D255 IonicContact CZ-OD1 2.76Å; R135-D255 IonicContact NH1-OD1 2.8Å; R135-D255 PolarHBondContact NH1-OD1 3.25Å; R135-D255 IonicContact NH2-OD1 2.85Å; R135-D255 PolarHBondContact NH2-OD1 3.05Å; D255-W257 VanDerWaalsContact C-N 3.3Å; D255-W257 PolarHBondContact O-N 3.39Å; D255-T301 HydrophobicContact CB-CG2 3.64Å; D255-T301 WeakPolarHBondContact O-CB 3.28Å; D255-K304 WeakPolarHBondContact OD2-CD 3.46Å; D255-K304 WeakPolarHBondContact OD2-CE 3.27Å; D255-K304 IonicContact OD2-NZ 3.94Å; D255-K304 PolarHBondContact OD2-NZ 3.46Å; D255-N305 PolarHBondContact N-OD1 2.89Å; D255-N305 PolarHBondContact O-ND2 2.51Å
256I87.3Confident95.6Very high12 Ų1219.1 Ų19.16%0.06210%0.104CC..BIsolated β-bridgetrans55.1-76.9168-53.1-59.5000115.2L133 V295 P296 T301L133-I256 VanDerWaalsContact CB-O 3.29Å; L133-I256 WeakPolarHBondContact CB-O 3.5Å; L133-I256 PolarHBondContact N-O 3.38Å; I256-V295 HydrophobicContact CG1-CG1 4.49Å; I256-P296 HydrophobicContact CD1-CG 4.14Å; I256-T301 HydrophobicContact CB-CG2 4.26Å; I256-T301 HydrophobicContact CG1-CG2 4.2Å
257W89.5Confident95.6Very high89 Ų8913.3 Ų13.334%0.3378%0.077SC..SBendtrans-158143.6-171.5-178.292.2000110D255 T301D255-W257 VanDerWaalsContact C-N 3.3Å; D255-W257 PolarHBondContact O-N 3.39Å; W257-T301 PolarHBondContact O-OG1 3.07Å
258G89.8Confident95.7Very high1 Ų113.2 Ų13.21%0.018%0.076CC..SBendtrans114.5137.8164.700000112.3E260 N305G258-E260 WeakPolarHBondContact CA-OE2 3.46Å; G258-E260 PolarHBondContact N-OE2 2.79Å; G258-E260 PolarHBondContact O-N 2.93Å; G258-N305 VanDerWaalsContact O-CB 3.23Å; G258-N305 WeakPolarHBondContact O-CB 3.2Å; G258-N305 PolarHBondContact O-ND2 3.35Å
259A94.4Very high95.7Very high9 Ų913 Ų137%0.0747%0.071CC..SBendtrans66-6.4175.100000115.8N261 I262 E263 N305 T306 I309A259-N261 PolarHBondContact O-N 2.91Å; A259-I262 PolarHBondContact O-N 3.03Å; A259-I262 VanDerWaalsContact O-N 3.12Å; A259-E263 PolarHBondContact O-N 2.54Å; A259-N305 HydrophobicContact CB-CB 4.21Å; A259-T306 WeakPolarHBondContact CB-OG1 3.26Å; A259-I309 HydrophobicContact CB-CD1 3.57Å; A259-I309 WeakPolarHBondContact O-CD1 3.49Å
260E96.4Very high95.8Very high6 Ų612 Ų123%0.0287%0.066CC..Hα-helixtrans-61.4-33.4177.480.2-69.7170.800112.2I134 R137 F250 M254 G258 F264I134-E260 HydrophobicContact CD1-CB 3.73Å; I134-E260 HydrophobicContact CD1-CG 4.31Å; I134-E260 HydrophobicContact CG1-CB 3.87Å; I134-E260 HydrophobicContact CG1-CG 3.98Å; I134-E260 HydrophobicContact CG2-CB 4.43Å; R137-E260 IonicContact NH1-OE1 3.81Å; F250-E260 HydrophobicContact CD1-CB 4.37Å; F250-E260 HydrophobicContact CD1-CG 4.47Å; F250-E260 HydrophobicContact CE1-CG 4.42Å; M254-E260 HydrophobicContact SD-CB 4.02Å; G258-E260 WeakPolarHBondContact CA-OE2 3.46Å; G258-E260 PolarHBondContact N-OE2 2.79Å; G258-E260 PolarHBondContact O-N 2.93Å; E260-F264 VanDerWaalsContact O-CB 3.26Å; E260-F264 WeakPolarHBondContact O-CB 3.5Å; E260-F264 PolarHBondContact O-N 2.92Å
261N97Very high95.8Very high15 Ų1512.9 Ų12.98%0.087%0.072CC..Hα-helixtrans-67.3-39.5177.668.2-58.4000111.4V232 S233 A259 S265V232-N261 PolarHBondContact O-ND2 3.11Å; S233-N261 WeakPolarHBondContact O-CB 3.23Å; S233-N261 PolarHBondContact O-ND2 3.1Å; A259-N261 PolarHBondContact O-N 2.91Å; N261-S265 VanDerWaalsContact O-CB 3.23Å; N261-S265 WeakPolarHBondContact O-CB 3.21Å; N261-S265 PolarHBondContact O-N 3.34Å; N261-S265 PolarHBondContact O-OG 2.85Å
262I98.2Very high95.7Very high1 Ų115.7 Ų15.71%0.00510%0.102CC..Hα-helixtrans-71.9-44.7176.9-56.9-55000110.5F201 L205 F207 A231 A259 F264 S265 I266 I309F201-I262 HydrophobicContact CB-CD1 3.91Å; F201-I262 HydrophobicContact CD1-CD1 3.8Å; F201-I262 HydrophobicContact CD1-CG2 3.98Å; F201-I262 HydrophobicContact CD2-CG2 4.46Å; F201-I262 HydrophobicContact CE1-CG2 4.07Å; F201-I262 HydrophobicContact CG-CD1 4.12Å; F201-I262 HydrophobicContact CG-CG2 4.18Å; F201-I262 HydrophobicContact CZ-CG2 4.35Å; L205-I262 HydrophobicContact CB-CG2 4.34Å; L205-I262 HydrophobicContact CD2-CG2 4.22Å; F207-I262 HydrophobicContact CB-CD1 4.2Å; F207-I262 HydrophobicContact CD2-CD1 3.95Å; A231-I262 HydrophobicContact CB-CD1 4.17Å; A259-I262 PolarHBondContact O-N 3.03Å; A259-I262 VanDerWaalsContact O-N 3.12Å; I262-F264 PolarHBondContact O-N 2.92Å; I262-S265 PolarHBondContact O-N 3.19Å; I262-I266 HydrophobicContact CG2-CD1 3.8Å; I262-I266 HydrophobicContact CG2-CG1 4.41Å; I262-I266 WeakPolarHBondContact O-CG1 3.28Å; I262-I266 PolarHBondContact O-N 3.41Å; I262-I309 HydrophobicContact CB-CD1 4.26Å; I262-I309 HydrophobicContact CG2-CD1 4.42Å
263E98.3Very high95.7Very high1 Ų114.1 Ų14.11%0.0059%0.092CC..Hα-helixtrans-57.1-51.8176.5-168.9-86.7155.600111.5M254 A259 S265 I266 R267 I309 W313M254-E263 HydrophobicContact CE-CB 3.64Å; M254-E263 HydrophobicContact CE-CG 3.7Å; M254-E263 HydrophobicContact SD-CB 4.49Å; A259-E263 PolarHBondContact O-N 2.54Å; E263-S265 VanDerWaalsContact C-N 3.28Å; E263-S265 PolarHBondContact O-N 2.77Å; E263-I266 PolarHBondContact O-N 3.02Å; E263-R267 WeakPolarHBondContact O-CB 3.33Å; E263-R267 PolarHBondContact O-N 3.23Å; E263-R267 IonicContact OE1-CZ 2.76Å; E263-R267 IonicContact OE1-NE 2.67Å; E263-R267 PolarHBondContact OE1-NE 3.02Å; E263-R267 IonicContact OE1-NH2 3.87Å; E263-R267 PolarHBondContact OE1-NH2 3.23Å; E263-R267 IonicContact OE2-CZ 3.55Å; E263-R267 IonicContact OE2-NE 3.55Å; E263-R267 IonicContact OE2-NH2 3.72Å; E263-R267 PolarHBondContact OE2-NH2 3.23Å; E263-I309 HydrophobicContact CB-CD1 3.75Å; E263-I309 HydrophobicContact CB-CG1 3.69Å; E263-I309 HydrophobicContact CG-CG1 3.95Å; E263-W313 PolarHBondContact OE1-NE1 3.19Å
264F98.2Very high95.8Very high1 Ų113.4 Ų13.40%0.0048%0.084CC..Hα-helixtrans-63.2-40-179.6-173.2-124.6000110.8V176 L237 F244 L247 F250 E260 I262 R267 V268V176-F264 HydrophobicContact CG1-CE1 3.98Å; V176-F264 HydrophobicContact CG2-CE1 3.92Å; V176-F264 HydrophobicContact CG2-CZ 3.98Å; L237-F264 HydrophobicContact CD1-CE1 4.45Å; L237-F264 HydrophobicContact CD2-CD1 4.33Å; L237-F264 HydrophobicContact CD2-CE1 4.31Å; F244-F264 HydrophobicContact CD2-CE2 4.1Å; F244-F264 AromaticContact CD2-CZ 3.83Å; F244-F264 HydrophobicContact CD2-CZ 3.83Å; F244-F264 HydrophobicContact CE2-CE2 4.22Å; F244-F264 HydrophobicContact CE2-CZ 4.14Å; L247-F264 HydrophobicContact CD1-CE2 4.07Å; L247-F264 HydrophobicContact CD1-CZ 4.35Å; F250-F264 HydrophobicContact CD1-CB 4.05Å; F250-F264 HydrophobicContact CD1-CG 4.25Å; F250-F264 HydrophobicContact CE1-CB 3.78Å; F250-F264 AromaticContact CE1-CD1 3.99Å; F250-F264 HydrophobicContact CE1-CD1 3.99Å; F250-F264 HydrophobicContact CE1-CD2 4.42Å; F250-F264 AromaticContact CE1-CG 3.81Å; F250-F264 HydrophobicContact CE1-CG 3.81Å; F250-F264 HydrophobicContact CZ-CD1 4.48Å; E260-F264 VanDerWaalsContact O-CB 3.26Å; E260-F264 WeakPolarHBondContact O-CB 3.5Å; E260-F264 PolarHBondContact O-N 2.92Å; I262-F264 PolarHBondContact O-N 2.92Å; F264-R267 PolarHBondContact O-N 3.36Å; F264-V268 HydrophobicContact CD1-CG2 4.27Å; F264-V268 HydrophobicContact CD2-CG2 4.07Å; F264-V268 HydrophobicContact CE1-CG2 4.03Å; F264-V268 HydrophobicContact CE2-CG2 3.82Å; F264-V268 HydrophobicContact CG-CG2 4.3Å; F264-V268 HydrophobicContact CZ-CG2 3.79Å; F264-V268 WeakPolarHBondContact O-CB 3.06Å; F264-V268 WeakPolarHBondContact O-CG2 3.32Å; F264-V268 PolarHBondContact O-N 3.27Å
265S98.5Very high96Very high0 Ų013.4 Ų13.40%08%0.084CC..Hα-helixtrans-61-50.6178-65.20000112.5A231 V232 N261 I262 E263 R267 V268 W269 L275A231-S265 WeakPolarHBondContact CA-OG 2.97Å; V232-S265 PolarHBondContact N-OG 2.04Å; V232-S265 VanDerWaalsContact N-OG 3.12Å; N261-S265 VanDerWaalsContact O-CB 3.23Å; N261-S265 WeakPolarHBondContact O-CB 3.21Å; N261-S265 PolarHBondContact O-N 3.34Å; N261-S265 PolarHBondContact O-OG 2.85Å; I262-S265 PolarHBondContact O-N 3.19Å; E263-S265 VanDerWaalsContact C-N 3.28Å; E263-S265 PolarHBondContact O-N 2.77Å; S265-R267 VanDerWaalsContact C-N 3.34Å; S265-R267 PolarHBondContact O-N 3.23Å; S265-V268 PolarHBondContact O-N 3.21Å; S265-W269 PolarHBondContact O-N 3.32Å; S265-L275 VanDerWaalsContact CB-CD1 3.45Å; S265-L275 WeakPolarHBondContact O-CD1 3.36Å
266I98.5Very high96.3Very high0 Ų012.2 Ų12.20%08%0.077CC..Hα-helixtrans-60.6-47.2178.1-67.7168.6000109.7F201 I262 E263 V268 W269 L270 I309 W313 L314 F351F201-I266 HydrophobicContact CE1-CD1 4.35Å; F201-I266 HydrophobicContact CE1-CG1 4.2Å; F201-I266 HydrophobicContact CE2-CD1 4.42Å; F201-I266 HydrophobicContact CZ-CD1 3.8Å; F201-I266 HydrophobicContact CZ-CG1 3.95Å; I262-I266 HydrophobicContact CG2-CD1 3.8Å; I262-I266 HydrophobicContact CG2-CG1 4.41Å; I262-I266 WeakPolarHBondContact O-CG1 3.28Å; I262-I266 PolarHBondContact O-N 3.41Å; E263-I266 PolarHBondContact O-N 3.02Å; I266-V268 PolarHBondContact O-N 2.71Å; I266-W269 PolarHBondContact O-N 3.25Å; I266-L270 HydrophobicContact CG2-CD1 3.55Å; I266-L270 HydrophobicContact CG2-CG 4.04Å; I266-L270 WeakPolarHBondContact O-CB 3.43Å; I266-L270 VanDerWaalsContact O-CG 3.29Å; I266-L270 WeakPolarHBondContact O-CG 3.49Å; I266-L270 PolarHBondContact O-N 3.45Å; I266-I309 HydrophobicContact CD1-CG2 3.97Å; I266-W313 HydrophobicContact CG2-CB 3.91Å; I266-W313 HydrophobicContact CG2-CG 4.35Å; I266-L314 HydrophobicContact CD1-CD2 4.05Å; I266-F351 HydrophobicContact CD1-CE2 4.02Å; I266-F351 HydrophobicContact CG1-CE2 4.22Å; I266-F351 HydrophobicContact CG2-CD2 4.12Å; I266-F351 HydrophobicContact CG2-CE2 4.03Å
267R98.3Very high96.9Very high0 Ų012.2 Ų12.20%08%0.077CC..Hα-helixtrans-61.1-45.2-179.4173.116340.393.14.1112.8L247 E249 E263 F264 S265 W269 L270 C271 W313L247-R267 WeakPolarHBondContact O-CD 3.5Å; L247-R267 PolarHBondContact O-NH1 3.42Å; E249-R267 PolarHBondContact O-NH1 2.75Å; E249-R267 PolarHBondContact O-NH2 3.11Å; E263-R267 WeakPolarHBondContact O-CB 3.33Å; E263-R267 PolarHBondContact O-N 3.23Å; E263-R267 IonicContact OE1-CZ 2.76Å; E263-R267 IonicContact OE1-NE 2.67Å; E263-R267 PolarHBondContact OE1-NE 3.02Å; E263-R267 IonicContact OE1-NH2 3.87Å; E263-R267 PolarHBondContact OE1-NH2 3.23Å; E263-R267 IonicContact OE2-CZ 3.55Å; E263-R267 IonicContact OE2-NE 3.55Å; E263-R267 IonicContact OE2-NH2 3.72Å; E263-R267 PolarHBondContact OE2-NH2 3.23Å; F264-R267 PolarHBondContact O-N 3.36Å; S265-R267 VanDerWaalsContact C-N 3.34Å; S265-R267 PolarHBondContact O-N 3.23Å; R267-W269 VanDerWaalsContact C-N 3.32Å; R267-W269 PolarHBondContact O-N 3.01Å; R267-L270 PolarHBondContact O-N 3.22Å; R267-C271 WeakPolarHBondContact O-CB 3.46Å; R267-C271 PolarHBondContact O-N 2.94Å; R267-C271 PolarHBondContact O-SG 2.93Å; R267-W313 HydrophobicContact CB-CH2 4.01Å; R267-W313 HydrophobicContact CB-CZ2 3.9Å; R267-W313 HydrophobicContact CB-CZ3 4.42Å; R267-W313 VanDerWaalsContact CD-CZ2 3.46Å; R267-W313 HydrophobicContact CG-CH2 3.71Å; R267-W313 HydrophobicContact CG-CZ2 3.86Å; R267-W313 HydrophobicContact CG-CZ3 4.4Å
268V98.2Very high97.3Very high0 Ų08.1 Ų8.10%06%0.062CC..Hα-helixtrans-54.6-51.1178.5168.30000110.1V176 L247 F264 S265 I266 C271 G272 G273 L275V176-V268 HydrophobicContact CG2-CG1 4.21Å; V176-V268 HydrophobicContact CG2-CG2 3.9Å; L247-V268 HydrophobicContact CD1-CB 4.47Å; L247-V268 HydrophobicContact CD1-CG2 3.65Å; F264-V268 HydrophobicContact CD1-CG2 4.27Å; F264-V268 HydrophobicContact CD2-CG2 4.07Å; F264-V268 HydrophobicContact CE1-CG2 4.03Å; F264-V268 HydrophobicContact CE2-CG2 3.82Å; F264-V268 HydrophobicContact CG-CG2 4.3Å; F264-V268 HydrophobicContact CZ-CG2 3.79Å; F264-V268 WeakPolarHBondContact O-CB 3.06Å; F264-V268 WeakPolarHBondContact O-CG2 3.32Å; F264-V268 PolarHBondContact O-N 3.27Å; S265-V268 PolarHBondContact O-N 3.21Å; I266-V268 PolarHBondContact O-N 2.71Å; V268-C271 PolarHBondContact O-N 3.44Å; V268-G272 PolarHBondContact O-N 3.09Å; V268-G273 WeakPolarHBondContact O-CA 3.05Å; V268-G273 PolarHBondContact O-N 3.15Å; V268-L275 HydrophobicContact CB-CG 4.36Å; V268-L275 HydrophobicContact CG1-CD2 4.42Å; V268-L275 HydrophobicContact CG1-CG 4.06Å
269W98.3Very high97.7Very high12 Ų128.1 Ų8.15%0.0456%0.062CC..Hα-helixtrans-63.9-47.6179.5-82.1114.4000113R228 T229 P230 S265 I266 R267 C271 L275 W353 Y354 V358R228-W269 HydrophobicContact CB-CH2 4.16Å; R228-W269 HydrophobicContact CB-CZ2 4.19Å; R228-W269 HydrophobicContact CG-CH2 3.91Å; R228-W269 HydrophobicContact CG-CZ2 4.37Å; T229-W269 PolarHBondContact O-NE1 3.05Å; P230-W269 PolarHBondContact O-NE1 2.76Å; S265-W269 PolarHBondContact O-N 3.32Å; I266-W269 PolarHBondContact O-N 3.25Å; R267-W269 VanDerWaalsContact C-N 3.32Å; R267-W269 PolarHBondContact O-N 3.01Å; W269-C271 VanDerWaalsContact C-N 3.26Å; W269-C271 PolarHBondContact O-N 2.92Å; W269-L275 VanDerWaalsContact CD1-CD1 3.43Å; W269-L275 HydrophobicContact CZ2-CB 4.35Å; W269-W353 HydrophobicContact CE3-CH2 4.5Å; W269-W353 WeakPolarHBondContact O-CZ3 3.4Å; W269-Y354 HydrophobicContact CB-CD2 3.68Å; W269-Y354 HydrophobicContact CB-CE2 3.76Å; W269-Y354 AromaticContact CD1-CE2 3.65Å; W269-Y354 HydrophobicContact CG-CD2 4.19Å; W269-Y354 AromaticContact CG-CE2 3.86Å; W269-Y354 HydrophobicContact CG-CE2 3.86Å; W269-V358 HydrophobicContact CB-CG2 4.25Å; W269-V358 HydrophobicContact CD2-CB 4.35Å; W269-V358 HydrophobicContact CD2-CG1 3.71Å; W269-V358 HydrophobicContact CD2-CG2 3.65Å; W269-V358 HydrophobicContact CE3-CG1 4.42Å; W269-V358 HydrophobicContact CE3-CG2 3.62Å; W269-V358 HydrophobicContact CG-CB 4.49Å; W269-V358 HydrophobicContact CG-CG1 3.82Å; W269-V358 HydrophobicContact CG-CG2 3.96Å; W269-V358 HydrophobicContact CZ2-CG1 4.17Å; W269-V358 HydrophobicContact CZ3-CG2 4.24Å
270L98.3Very high97.8Very high1 Ų17.8 Ų7.81%0.0056%0.059CC..Hα-helixtrans-65.6-31.6-178.1-69.6-176000112.4I266 R267 W313 C348 R349 D350 W353I266-L270 HydrophobicContact CG2-CD1 3.55Å; I266-L270 HydrophobicContact CG2-CG 4.04Å; I266-L270 WeakPolarHBondContact O-CB 3.43Å; I266-L270 VanDerWaalsContact O-CG 3.29Å; I266-L270 WeakPolarHBondContact O-CG 3.49Å; I266-L270 PolarHBondContact O-N 3.45Å; R267-L270 PolarHBondContact O-N 3.22Å; L270-W313 HydrophobicContact CD1-CE3 3.75Å; L270-W313 HydrophobicContact CD1-CZ3 4.37Å; L270-C348 HydrophobicContact CB-CB 4.1Å; L270-C348 CarbonylContact O-C 3.15Å; L270-C348 WeakPolarHBondContact O-CA 3.46Å; L270-C348 WeakPolarHBondContact O-CB 3.41Å; L270-R349 HydrophobicContact CD2-CB 4.21Å; L270-R349 PolarHBondContact O-N 3.21Å; L270-D350 WeakPolarHBondContact CD2-O 3.5Å; L270-W353 HydrophobicContact CD2-CE3 4.04Å
271C97.9Very high97.9Very high19 Ų197.5 Ų7.513%0.1286%0.058CC..THydrogen-bonded Turntrans-10121.5-173.4-53.40000113.6L247 R267 V268 W269 L346 C348L247-C271 HydrophobicContact CD2-CB 3.92Å; R267-C271 WeakPolarHBondContact O-CB 3.46Å; R267-C271 PolarHBondContact O-N 2.94Å; R267-C271 PolarHBondContact O-SG 2.93Å; V268-C271 PolarHBondContact O-N 3.44Å; W269-C271 VanDerWaalsContact C-N 3.26Å; W269-C271 PolarHBondContact O-N 2.92Å; C271-L346 HydrophobicContact CB-CB 4.3Å; C271-L346 HydrophobicContact CB-CD1 4.08Å; C271-C348 HydrophobicContact CB-CB 4.06Å; C271-C348 WeakPolarHBondContact CB-SG 3.48Å; C271-C348 WeakPolarHBondContact SG-CB 3.21Å; C271-C348 CovalentContact SG-SG 2.04Å; C271-C348 PolarHBondContact SG-SG 2.78Å
272G95.1Very high98Very high62 Ų627.6 Ų7.664%0.6396%0.057SC*.THydrogen-bonded Turntrans95.76.3165.800000116.4V268V268-G272 PolarHBondContact O-N 3.09Å
273G96.8Very high98Very high9 Ų97.5 Ų7.59%0.0936%0.057CC..  trans-96.2-171.7169.900000113.1V268V268-G273 WeakPolarHBondContact O-CA 3.05Å; V268-G273 PolarHBondContact O-N 3.15Å
274S97.5Very high98Very high6 Ų67.5 Ų7.54%0.0426%0.056CC..EExtended strand (participates in β ladder)trans-138.9156.1175.847.90000111A174 T175 V176A174-S274 PolarHBondContact O-N 3.25Å; T175-S274 WeakPolarHBondContact CA-O 3.11Å; T175-S274 WeakPolarHBondContact CG2-OG 3.49Å; T175-S274 PolarHBondContact OG1-OG 3.3Å; V176-S274 PolarHBondContact N-O 3.47Å
275L98.4Very high98Very high0 Ų08.4 Ų8.40%06%0.061CC..EExtended strand (participates in β ladder)trans-115.2133.9171.7-69.6156.5000109.2V176 R228 T229 V232 S265 V268 W269V176-L275 HydrophobicContact CB-CD2 3.55Å; V176-L275 HydrophobicContact CG1-CD2 3.58Å; V176-L275 HydrophobicContact CG2-CD2 4.43Å; V176-L275 WeakPolarHBondContact O-CA 3.46Å; R228-L275 WeakPolarHBondContact CA-O 3.42Å; T229-L275 HydrophobicContact CG2-CB 3.78Å; T229-L275 PolarHBondContact N-O 2.81Å; T229-L275 WeakPolarHBondContact O-CB 3.31Å; V232-L275 HydrophobicContact CG1-CB 4.43Å; V232-L275 HydrophobicContact CG1-CD2 3.82Å; V232-L275 HydrophobicContact CG2-CD2 4.04Å; S265-L275 VanDerWaalsContact CB-CD1 3.45Å; S265-L275 WeakPolarHBondContact O-CD1 3.36Å; V268-L275 HydrophobicContact CB-CG 4.36Å; V268-L275 HydrophobicContact CG1-CD2 4.42Å; V268-L275 HydrophobicContact CG1-CG 4.06Å; W269-L275 VanDerWaalsContact CD1-CD1 3.43Å; W269-L275 HydrophobicContact CZ2-CB 4.35Å
276E98.3Very high97.9Very high13 Ų138.5 Ų8.56%0.0616%0.061CC..EExtended strand (participates in β ladder)trans-135.3148.9179.3-67.5-179.5-172.400112.3R169 T175 V176 L177 S178 S226 F227 R228R169-E276 IonicContact CZ-OE2 3.37Å; R169-E276 IonicContact NE-OE2 2.8Å; R169-E276 PolarHBondContact NE-OE2 3.49Å; R169-E276 VanDerWaalsContact NE-OE2 3.17Å; R169-E276 IonicContact NH2-OE1 4Å; R169-E276 PolarHBondContact NH2-OE1 3.03Å; R169-E276 IonicContact NH2-OE2 3.02Å; R169-E276 PolarHBondContact NH2-OE2 2.74Å; R169-E276 VanDerWaalsContact NH2-OE2 3.08Å; T175-E276 HydrophobicContact CG2-CB 3.92Å; T175-E276 HydrophobicContact CG2-CG 3.62Å; V176-E276 PolarHBondContact O-N 3.43Å; L177-E276 CarbonylContact C-O 3.58Å; L177-E276 WeakPolarHBondContact CA-O 3.5Å; L177-E276 HydrophobicContact CD1-CB 3.65Å; L177-E276 HydrophobicContact CD2-CB 4.36Å; S178-E276 PolarHBondContact N-O 3Å; S226-E276 VanDerWaalsContact CB-OE2 3.28Å; S226-E276 WeakPolarHBondContact CB-OE2 3.26Å; S226-E276 PolarHBondContact OG-OE2 3.17Å; F227-E276 CarbonylContact O-C 3.24Å; F227-E276 WeakPolarHBondContact O-CA 3.21Å; F227-E276 WeakPolarHBondContact O-CB 3.4Å; R228-E276 HydrophobicContact CG-CG 4.32Å
277I98.3Very high97.4Very high12 Ų1211.9 Ų11.96%0.0628%0.076CC..EExtended strand (participates in β ladder)trans-100.1133.9166.4-56-55.3000107.8S178 V180 S226 F227 T229 V232 P279S178-I277 WeakPolarHBondContact O-CA 3.36Å; V180-I277 HydrophobicContact CG2-CG2 3.89Å; S226-I277 WeakPolarHBondContact CA-O 3.46Å; S226-I277 WeakPolarHBondContact CB-O 3.46Å; F227-I277 HydrophobicContact CD2-CB 4.37Å; F227-I277 HydrophobicContact CE1-CB 4.24Å; F227-I277 HydrophobicContact CE1-CG2 4.38Å; F227-I277 HydrophobicContact CE2-CB 3.71Å; F227-I277 HydrophobicContact CE2-CG1 3.91Å; F227-I277 HydrophobicContact CE2-CG2 4.41Å; F227-I277 HydrophobicContact CZ-CB 3.64Å; F227-I277 HydrophobicContact CZ-CG1 4.21Å; F227-I277 HydrophobicContact CZ-CG2 3.87Å; F227-I277 PolarHBondContact N-O 2.81Å; F227-I277 PolarHBondContact O-N 3.39Å; T229-I277 HydrophobicContact CG2-CD1 3.88Å; T229-I277 HydrophobicContact CG2-CG1 3.91Å; V232-I277 HydrophobicContact CG1-CD1 4.36Å; I277-P279 WeakPolarHBondContact O-CD 3.42Å
278A97.9Very high96.9Very high3 Ų314.2 Ų14.23%0.0259%0.085CC..EExtended strand (participates in β ladder)trans-102.7104.2175.300000111.2P165 L166 L177 S178 C280 S281P165-A278 HydrophobicContact CB-CB 4.4Å; L166-A278 HydrophobicContact CD2-CB 3.78Å; L177-A278 HydrophobicContact CD1-CB 4.2Å; S178-A278 PolarHBondContact O-N 3.36Å; A278-C280 VanDerWaalsContact C-N 3.29Å; A278-C280 PolarHBondContact O-N 2.98Å; A278-S281 WeakPolarHBondContact O-CB 3.4Å; A278-S281 PolarHBondContact O-N 2.82Å
279P98Very high95.9Very high1 Ų118.3 Ų18.31%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-53.2-39.4-179.5-32.539000115.7I196 S223 N225 F227 I277 S281I196-P279 HydrophobicContact CD1-CB 3.93Å; I196-P279 HydrophobicContact CD1-CG 4.43Å; I196-P279 HydrophobicContact CG2-CG 4.49Å; S223-P279 VanDerWaalsContact O-CB 3.24Å; S223-P279 WeakPolarHBondContact O-CB 3.07Å; N225-P279 VanDerWaalsContact O-CD 3.28Å; N225-P279 WeakPolarHBondContact O-CD 3.49Å; N225-P279 WeakPolarHBondContact O-CG 3.37Å; F227-P279 HydrophobicContact CD1-CG 4.03Å; F227-P279 HydrophobicContact CE1-CG 3.74Å; I277-P279 WeakPolarHBondContact O-CD 3.42Å; P279-S281 PolarHBondContact O-N 3.34Å
280C98.2Very high95Very high2 Ų222.7 Ų22.71%0.01414%0.136CC..EExtended strand (participates in β ladder)trans-76.2-12.4-178.7-61.50000113.6R59 C63 P165 A278R59-C280 VanDerWaalsContact CD-O 3.28Å; R59-C280 WeakPolarHBondContact CD-O 3.25Å; R59-C280 WeakPolarHBondContact CG-O 3.45Å; C63-C280 VanDerWaalsContact CA-SG 3.57Å; C63-C280 HydrophobicContact CB-CB 3.64Å; C63-C280 WeakPolarHBondContact CB-SG 3.37Å; C63-C280 WeakPolarHBondContact SG-CA 3.39Å; C63-C280 WeakPolarHBondContact SG-CB 3.19Å; C63-C280 CovalentContact SG-SG 2.04Å; C63-C280 PolarHBondContact SG-SG 2.87Å; P165-C280 HydrophobicContact CB-CB 4.13Å; P165-C280 HydrophobicContact CG-CB 3.83Å; A278-C280 VanDerWaalsContact C-N 3.29Å; A278-C280 PolarHBondContact O-N 2.98Å
281S98.4Very high94.2Very high0 Ų029.6 Ų29.60%016%0.162CC..EExtended strand (participates in β ladder)trans-92.8113.7173.5-178.90000109.9W162 L166 P179 V180 A278 P279W162-S281 VanDerWaalsContact O-CB 3.23Å; W162-S281 WeakPolarHBondContact O-CB 3.49Å; W162-S281 PolarHBondContact O-OG 3.4Å; L166-S281 WeakPolarHBondContact CG-OG 3.35Å; P179-S281 CarbonylContact C-O 3.48Å; P179-S281 WeakPolarHBondContact CA-O 3.36Å; P179-S281 WeakPolarHBondContact CB-O 3.4Å; P179-S281 VanDerWaalsContact CB-OG 3.3Å; P179-S281 WeakPolarHBondContact CB-OG 3.11Å; V180-S281 PolarHBondContact N-O 2.95Å; A278-S281 WeakPolarHBondContact O-CB 3.4Å; A278-S281 PolarHBondContact O-N 2.82Å; P279-S281 PolarHBondContact O-N 3.34Å
282R98.2Very high93.2Very high16 Ų1630.5 Ų30.56%0.0617%0.168CC..EExtended strand (participates in β ladder)trans-118126.4-178.1-63.8-65.7-148.5162-5.5110.8T58 R59 N159 D182 S194T58-R282 PolarHBondContact O-NE 3.35Å; T58-R282 PolarHBondContact O-NH2 3.19Å; T58-R282 WeakPolarHBondContact OG1-CG 3.49Å; R59-R282 HydrophobicContact CG-CB 4.49Å; R59-R282 HydrophobicContact CG-CG 3.71Å; N159-R282 HydrophobicContact CB-CB 3.78Å; N159-R282 VanDerWaalsContact CB-O 3.25Å; N159-R282 WeakPolarHBondContact CB-O 3.41Å; N159-R282 PolarHBondContact N-O 3.33Å; D182-R282 IonicContact OD1-CZ 2.72Å; D182-R282 IonicContact OD1-NE 3.31Å; D182-R282 IonicContact OD1-NH1 3.89Å; D182-R282 PolarHBondContact OD1-NH1 3.23Å; D182-R282 IonicContact OD2-NE 3.88Å; S194-R282 PolarHBondContact O-NH1 3.08Å
283V98.5Very high92.3Very high0 Ų030.7 Ų30.70%015%0.15CC..EExtended strand (participates in β ladder)trans-135.5123.8173.8-176.70000108.9L152 C156 V158 W162 P179 V180 V181 D182 L236L152-V283 HydrophobicContact CD2-CG1 4.34Å; C156-V283 HydrophobicContact CB-CG1 3.85Å; V158-V283 HydrophobicContact CG1-CG1 4.06Å; V158-V283 HydrophobicContact CG1-CG2 4.13Å; W162-V283 HydrophobicContact CB-CG2 4.48Å; W162-V283 HydrophobicContact CD2-CG2 4.28Å; W162-V283 HydrophobicContact CE3-CG2 3.59Å; W162-V283 HydrophobicContact CZ3-CG2 4.18Å; P179-V283 HydrophobicContact CB-CB 4.25Å; P179-V283 HydrophobicContact CB-CG2 3.8Å; P179-V283 HydrophobicContact CG-CB 4.09Å; P179-V283 HydrophobicContact CG-CG2 3.82Å; V180-V283 PolarHBondContact O-N 2.87Å; V180-V283 VanDerWaalsContact O-N 3.13Å; V181-V283 CarbonylContact C-O 3.57Å; V181-V283 WeakPolarHBondContact CA-O 3.37Å; D182-V283 PolarHBondContact N-O 2.94Å; L236-V283 HydrophobicContact CD2-CB 3.55Å; L236-V283 HydrophobicContact CD2-CG1 3.38Å; L236-V283 HydrophobicContact CD2-CG2 4.35Å
284G98Very high91Very high0 Ų034.3 Ų34.30%017%0.174CC..EExtended strand (participates in β ladder)trans-79.3141.1176.800000110.6C156 E157 D182 Y191C156-G284 CarbonylContact C-O 3.53Å; C156-G284 WeakPolarHBondContact CA-O 3.48Å; C156-G284 WeakPolarHBondContact CB-O 3.48Å; E157-G284 PolarHBondContact N-O 2.95Å; E157-G284 PolarHBondContact O-N 2.91Å; D182-G284 CarbonylContact O-C 3.55Å; D182-G284 WeakPolarHBondContact O-CA 3.36Å; Y191-G284 VanDerWaalsContact CE2-CA 3.43Å; Y191-G284 PolarHBondContact OH-N 2.6Å; Y191-G284 VanDerWaalsContact OH-N 3.16Å
285H97.7Very high89.7Confident20 Ų2036.3 Ų36.39%0.09319%0.185CC..EExtended strand (participates in β ladder)trans-126.8137.5177.2-178.6-85.1000110.2D153 H155 V181 D182 I184 F287D153-H285 IonicContact OD2-CD2 3.6Å; D153-H285 IonicContact OD2-CE1 2.66Å; D153-H285 IonicContact OD2-NE2 2.66Å; D153-H285 PolarHBondContact OD2-NE2 2.94Å; H155-H285 AromaticContact CD2-CE1 3.65Å; H155-H285 AromaticContact CD2-NE2 3.51Å; H155-H285 AromaticContact NE2-CE1 3.47Å; H155-H285 PolarHBondContact NE2-CE1 3.31Å; H155-H285 AromaticContact NE2-NE2 3.26Å; H155-H285 PolarHBondContact NE2-NE2 2.92Å; V181-H285 HydrophobicContact CG1-CB 3.52Å; D182-H285 PolarHBondContact O-N 3.47Å; I184-H285 WeakPolarHBondContact CB-O 3.35Å; I184-H285 PolarHBondContact N-O 3.3Å; H285-F287 HydrophobicContact CB-CD2 4.42Å; H285-F287 HydrophobicContact CB-CE2 4.01Å; H285-F287 HydrophobicContact CB-CZ 4.32Å; H285-F287 AromaticContact ND1-CD1 3.91Å; H285-F287 AromaticContact ND1-CG 3.94Å; H285-F287 VanDerWaalsContact O-CD2 3.3Å; H285-F287 WeakPolarHBondContact O-CD2 3.47Å; H285-F287 PolarHBondContact O-N 3.32Å; H285-F287 VanDerWaalsContact O-N 3.14Å
286V96Very high88.2Confident2 Ų239.2 Ų39.21%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-77.496.4173.1-1770000109.6F40 H155 I184 P186 F189 R288F40-V286 HydrophobicContact CB-CG1 4.05Å; F40-V286 HydrophobicContact CD1-CG1 3.91Å; F40-V286 HydrophobicContact CG-CG1 4.22Å; H155-V286 HydrophobicContact CB-CB 4.13Å; H155-V286 HydrophobicContact CB-CG2 4.19Å; H155-V286 PolarHBondContact CD2-O 3.35Å; H155-V286 WeakPolarHBondContact O-CG2 3.34Å; H155-V286 PolarHBondContact O-N 2.64Å; I184-V286 HydrophobicContact CB-CG2 3.93Å; I184-V286 HydrophobicContact CD1-CG2 4.39Å; I184-V286 HydrophobicContact CG2-CG2 3.76Å; P186-V286 HydrophobicContact CB-CG1 4.17Å; F189-V286 HydrophobicContact CD1-CG2 4.48Å; F189-V286 HydrophobicContact CE1-CG2 3.94Å; F189-V286 HydrophobicContact CZ-CG2 4.47Å; V286-R288 PolarHBondContact O-N 3.45Å
287F89.7Confident86.7Confident72 Ų7248.9 Ų48.932%0.31625%0.246SC..  trans-73.794.9174.5-70-84.4000110.2V181 H183 P186 H285V181-F287 HydrophobicContact CG1-CE2 4.01Å; V181-F287 HydrophobicContact CG1-CZ 3.67Å; H183-F287 HydrophobicContact CB-CD2 4.38Å; H183-F287 HydrophobicContact CB-CE2 4.49Å; H183-F287 AromaticContact CD2-CD2 3.53Å; P186-F287 VanDerWaalsContact CG-O 3.26Å; P186-F287 WeakPolarHBondContact CG-O 3.44Å; H285-F287 HydrophobicContact CB-CD2 4.42Å; H285-F287 HydrophobicContact CB-CE2 4.01Å; H285-F287 HydrophobicContact CB-CZ 4.32Å; H285-F287 AromaticContact ND1-CD1 3.91Å; H285-F287 AromaticContact ND1-CG 3.94Å; H285-F287 VanDerWaalsContact O-CD2 3.3Å; H285-F287 WeakPolarHBondContact O-CD2 3.47Å; H285-F287 PolarHBondContact O-N 3.32Å; H285-F287 VanDerWaalsContact O-N 3.14Å
288R87.1Confident85.1Confident48 Ų4851.6 Ų51.618%0.18128%0.277CS..  trans-63.6148.9-176.3-57.2175.3-173.6-149.2-9.4111.7H38 F40 E85 H155 V286 Y290H38-R288 VanDerWaalsContact O-CD 3.32Å; H38-R288 WeakPolarHBondContact O-CD 3.46Å; H38-R288 PolarHBondContact O-NH1 3.38Å; F40-R288 HydrophobicContact CD1-CG 4.24Å; E85-R288 IonicContact OE1-CZ 2.9Å; E85-R288 IonicContact OE1-NH2 3.83Å; E85-R288 PolarHBondContact OE1-NH2 3.25Å; E85-R288 IonicContact OE2-NH2 2.73Å; E85-R288 PolarHBondContact OE2-NH2 2.93Å; H155-R288 PolarHBondContact CE1-NH2 3.5Å; H155-R288 PolarHBondContact ND1-NH2 3.24Å; V286-R288 PolarHBondContact O-N 3.45Å; R288-Y290 VanDerWaalsContact CB-O 3.27Å; R288-Y290 WeakPolarHBondContact CB-O 3.39Å; R288-Y290 PolarHBondContact O-N 3.01Å
289A76.2Confident84Confident87 Ų8754 Ų5472%0.71930%0.296SS*.SBendtrans-64.8-26.7173.400000112.7G39G39-A289 PolarHBondContact O-N 3.32Å
290Y81.2Confident83.1Confident103 Ų10357.7 Ų57.740%0.40432%0.316SS..SBendtrans-159171.9175.365.4-86.6000111S35 T36 R288 P292S35-Y290 WeakPolarHBondContact O-CE1 3.23Å; S35-Y290 VanDerWaalsContact O-CZ 3.3Å; S35-Y290 PolarHBondContact O-OH 3.45Å; T36-Y290 WeakPolarHBondContact CA-OH 3.41Å; T36-Y290 PolarHBondContact O-OH 3.06Å; R288-Y290 VanDerWaalsContact CB-O 3.27Å; R288-Y290 WeakPolarHBondContact CB-O 3.39Å; R288-Y290 PolarHBondContact O-N 3.01Å; Y290-P292 HydrophobicContact CE2-CB 4.15Å; Y290-P292 WeakPolarHBondContact O-CD 3.27Å
291R80.5Confident82.6Confident147 Ų14758.1 Ų58.156%0.55532%0.319SS*.  trans-87115.2177.5-72.1174.2-84.2-166.7-5.7110.3Y293R291-Y293 VanDerWaalsContact C-N 3.32Å; R291-Y293 HydrophobicContact CB-CE1 4.45Å; R291-Y293 HydrophobicContact CB-CE2 4.28Å; R291-Y293 HydrophobicContact CG-CE2 4.5Å; R291-Y293 PolarHBondContact O-N 3.01Å
292P78.2Confident82.1Confident37 Ų3759.6 Ų59.624%0.2433%0.331CS..  trans-87.86.9-171.935.1-37.5000114.7H37 Y290H37-P292 WeakPolarHBondContact O-CB 3.5Å; Y290-P292 HydrophobicContact CE2-CB 4.15Å; Y290-P292 WeakPolarHBondContact O-CD 3.27Å
293Y75.8Confident81.7Confident67 Ų6760.9 Ų60.926%0.26334%0.338SS..SBendtrans-110135.3-177.942.4-96.7000111.1R291R291-Y293 VanDerWaalsContact C-N 3.32Å; R291-Y293 HydrophobicContact CB-CE1 4.45Å; R291-Y293 HydrophobicContact CB-CE2 4.28Å; R291-Y293 HydrophobicContact CG-CE2 4.5Å; R291-Y293 PolarHBondContact O-N 3.01Å
294S68.9Low81.5Confident85 Ų8563 Ų6359%0.59435%0.347SS*.PPolyproline II helixtrans-73.7140.9173560000110.9
295V69.6Low81.3Confident47 Ų4763 Ų6329%0.28535%0.347SS..PPolyproline II helixtrans-78.6126.3163.3-176.10000108I256 K297 G298 A299 T301I256-V295 HydrophobicContact CG1-CG1 4.49Å; V295-K297 PolarHBondContact O-N 2.87Å; V295-G298 PolarHBondContact O-N 3.22Å; V295-A299 HydrophobicContact CG1-CB 4.39Å; V295-A299 WeakPolarHBondContact CG1-O 3.12Å; V295-T301 HydrophobicContact CG1-CG2 3.42Å; V295-T301 VanDerWaalsContact CG1-CG2 3.42Å
296P67.5Low81.3Confident61 Ų6162.8 Ų62.840%0.39635%0.347SS..G310 helixtrans-52.3130.2175.4-25.335.1000110.7R130 I256 G298R130-P296 HydrophobicContact CG-CG 4.46Å; I256-P296 HydrophobicContact CD1-CG 4.14Å; P296-G298 PolarHBondContact O-N 3.42Å
297K65.8Low81.3Confident217 Ų21762.7 Ų62.794%0.94335%0.346SS*.G310 helixtrans64.612.7177.6-51.9178.1178.4178.60116.3V295 A299V295-K297 PolarHBondContact O-N 2.87Å; K297-A299 PolarHBondContact O-N 3.08Å
298G66.3Low81.6Confident69 Ų6959.7 Ų59.771%0.71133%0.333SS*.G310 helixtrans64.918.7-179.900000114V295 P296V295-G298 PolarHBondContact O-N 3.22Å; P296-G298 PolarHBondContact O-N 3.42Å
299A73.7Confident82.2Confident52 Ų5257.4 Ų57.443%0.4332%0.324SS..  trans-62.3141.6179.100000110.8V295 K297 T301V295-A299 HydrophobicContact CG1-CB 4.39Å; V295-A299 WeakPolarHBondContact CG1-O 3.12Å; K297-A299 PolarHBondContact O-N 3.08Å; A299-T301 HydrophobicContact CB-CG2 4.31Å; A299-T301 PolarHBondContact O-N 3Å
300N80.6Confident83.2Confident79 Ų7953.3 Ų53.342%0.42229%0.29SS..  trans-78.872.9172.5-165.7-6.8000110.1A302 E303 K304N300-A302 VanDerWaalsContact C-N 3.29Å; N300-A302 PolarHBondContact O-N 3.06Å; N300-E303 HydrophobicContact CB-CB 4.17Å; N300-E303 WeakPolarHBondContact ND2-CB 3.49Å; N300-E303 PolarHBondContact ND2-OE2 2.9Å; N300-E303 PolarHBondContact O-N 3.27Å; N300-E303 WeakPolarHBondContact OD1-CB 3.47Å; N300-E303 PolarHBondContact OD1-N 2.94Å; N300-K304 PolarHBondContact O-N 3.23Å
301T87Confident83.9Confident12 Ų1253 Ų537%0.07429%0.289CS..Hα-helixtrans-61.4-39-175.255.30000112D255 I256 W257 V295 A299 E303 K304 N305D255-T301 HydrophobicContact CB-CG2 3.64Å; D255-T301 WeakPolarHBondContact O-CB 3.28Å; I256-T301 HydrophobicContact CB-CG2 4.26Å; I256-T301 HydrophobicContact CG1-CG2 4.2Å; W257-T301 PolarHBondContact O-OG1 3.07Å; V295-T301 HydrophobicContact CG1-CG2 3.42Å; V295-T301 VanDerWaalsContact CG1-CG2 3.42Å; A299-T301 HydrophobicContact CB-CG2 4.31Å; A299-T301 PolarHBondContact O-N 3Å; T301-E303 PolarHBondContact O-N 3.1Å; T301-K304 PolarHBondContact O-N 2.81Å; T301-N305 WeakPolarHBondContact O-CB 3.32Å; T301-N305 PolarHBondContact O-N 2.88Å; T301-N305 PolarHBondContact O-ND2 3.34Å; T301-N305 PolarHBondContact O-OD1 3.4Å
302A87.4Confident84.8Confident30 Ų3046.3 Ų46.325%0.24826%0.264CS..Hα-helixtrans-60-48.5177.700000111.1N300 N305 T306N300-A302 VanDerWaalsContact C-N 3.29Å; N300-A302 PolarHBondContact O-N 3.06Å; A302-N305 PolarHBondContact O-N 2.9Å; A302-T306 WeakPolarHBondContact O-CB 3.28Å; A302-T306 PolarHBondContact O-N 3.12Å; A302-T306 PolarHBondContact O-OG1 3.42Å
303E90.4Very high85.7Confident44 Ų4444.6 Ų44.621%0.20625%0.253CS..Hα-helixtrans-65.6-42.2178.3-172.5164.8-124.600112.1N300 T301 N305 T306 V307 K325N300-E303 HydrophobicContact CB-CB 4.17Å; N300-E303 WeakPolarHBondContact ND2-CB 3.49Å; N300-E303 PolarHBondContact ND2-OE2 2.9Å; N300-E303 PolarHBondContact O-N 3.27Å; N300-E303 WeakPolarHBondContact OD1-CB 3.47Å; N300-E303 PolarHBondContact OD1-N 2.94Å; T301-E303 PolarHBondContact O-N 3.1Å; E303-N305 VanDerWaalsContact C-N 3.34Å; E303-N305 PolarHBondContact O-N 3.27Å; E303-T306 PolarHBondContact O-N 3.34Å; E303-V307 VanDerWaalsContact O-CG2 3.3Å; E303-V307 WeakPolarHBondContact O-CG2 3.39Å; E303-V307 PolarHBondContact O-N 3.1Å; E303-K325 IonicContact OE1-NZ 3.59Å
304K93.1Very high86.8Confident45 Ų4541.4 Ų41.420%0.19624%0.24CC..Hα-helixtrans-53.5-53.2172.8-174.1-175.3165.2-174.80110.9D255 N300 T301 V307 R308 F331 V333D255-K304 WeakPolarHBondContact OD2-CD 3.46Å; D255-K304 WeakPolarHBondContact OD2-CE 3.27Å; D255-K304 IonicContact OD2-NZ 3.94Å; D255-K304 PolarHBondContact OD2-NZ 3.46Å; N300-K304 PolarHBondContact O-N 3.23Å; T301-K304 PolarHBondContact O-N 2.81Å; K304-V307 PolarHBondContact O-N 2.96Å; K304-R308 WeakPolarHBondContact O-CG 3.43Å; K304-R308 PolarHBondContact O-N 3.4Å; K304-R308 VanDerWaalsContact O-N 3.13Å; K304-F331 HydrophobicContact CB-CD1 4.23Å; K304-F331 HydrophobicContact CB-CE1 3.54Å; K304-F331 HydrophobicContact CB-CZ 4.34Å; K304-F331 HydrophobicContact CG-CD1 4.33Å; K304-F331 HydrophobicContact CG-CE1 3.88Å; K304-V333 HydrophobicContact CG-CB 4.47Å; K304-V333 HydrophobicContact CG-CG1 4.37Å
305N95.3Very high88.1Confident0 Ų039.9 Ų39.90%023%0.225CC..Hα-helixtrans-62.1-46.3-177.2-63.4-8.4000110.4M254 D255 G258 A259 T301 A302 E303 V307 R308 I309M254-N305 WeakPolarHBondContact CA-OD1 3.48Å; M254-N305 HydrophobicContact CB-CB 4.24Å; M254-N305 WeakPolarHBondContact CB-OD1 3.41Å; M254-N305 HydrophobicContact CE-CB 4.23Å; M254-N305 WeakPolarHBondContact CE-O 3.44Å; M254-N305 HydrophobicContact CG-CB 3.89Å; M254-N305 HydrophobicContact SD-CB 4.01Å; D255-N305 PolarHBondContact N-OD1 2.89Å; D255-N305 PolarHBondContact O-ND2 2.51Å; G258-N305 VanDerWaalsContact O-CB 3.23Å; G258-N305 WeakPolarHBondContact O-CB 3.2Å; G258-N305 PolarHBondContact O-ND2 3.35Å; A259-N305 HydrophobicContact CB-CB 4.21Å; T301-N305 WeakPolarHBondContact O-CB 3.32Å; T301-N305 PolarHBondContact O-N 2.88Å; T301-N305 PolarHBondContact O-ND2 3.34Å; T301-N305 PolarHBondContact O-OD1 3.4Å; A302-N305 PolarHBondContact O-N 2.9Å; E303-N305 VanDerWaalsContact C-N 3.34Å; E303-N305 PolarHBondContact O-N 3.27Å; N305-V307 VanDerWaalsContact C-N 3.34Å; N305-V307 PolarHBondContact O-N 2.88Å; N305-R308 VanDerWaalsContact O-CB 3.32Å; N305-R308 WeakPolarHBondContact O-CB 3.47Å; N305-R308 PolarHBondContact O-N 3.32Å; N305-R308 VanDerWaalsContact O-N 3.09Å; N305-I309 WeakPolarHBondContact O-CG1 3.25Å; N305-I309 PolarHBondContact O-N 2.99Å
306T96.2Very high89.4Confident15 Ų1542.6 Ų42.69%0.09224%0.235CC..Hα-helixtrans-56.5-45.9176-61.90000111.7L205 A259 A302 E303 R308 I309 V310 F321L205-T306 HydrophobicContact CB-CG2 3.91Å; L205-T306 HydrophobicContact CD1-CG2 3.73Å; L205-T306 HydrophobicContact CG-CG2 4.11Å; A259-T306 WeakPolarHBondContact CB-OG1 3.26Å; A302-T306 WeakPolarHBondContact O-CB 3.28Å; A302-T306 PolarHBondContact O-N 3.12Å; A302-T306 PolarHBondContact O-OG1 3.42Å; E303-T306 PolarHBondContact O-N 3.34Å; T306-R308 VanDerWaalsContact C-N 3.28Å; T306-R308 PolarHBondContact O-N 3.45Å; T306-I309 WeakPolarHBondContact O-CA 3.43Å; T306-I309 VanDerWaalsContact O-CB 3.29Å; T306-I309 WeakPolarHBondContact O-CB 3.19Å; T306-I309 PolarHBondContact O-N 3.39Å; T306-V310 HydrophobicContact CG2-CG2 4.45Å; T306-V310 WeakPolarHBondContact O-CG2 3.48Å; T306-V310 PolarHBondContact O-N 2.81Å; T306-F321 HydrophobicContact CG2-CD2 4.16Å; T306-F321 HydrophobicContact CG2-CE2 3.35Å; T306-F321 HydrophobicContact CG2-CZ 3.57Å
307V96.2Very high90.8Very high0 Ų041.2 Ų41.20%022%0.222CC..Hα-helixtrans-65.2-30.5178.9178.30000112.3E303 K304 N305 I309 V310 R311 F321 A328 V333E303-V307 VanDerWaalsContact O-CG2 3.3Å; E303-V307 WeakPolarHBondContact O-CG2 3.39Å; E303-V307 PolarHBondContact O-N 3.1Å; K304-V307 PolarHBondContact O-N 2.96Å; N305-V307 VanDerWaalsContact C-N 3.34Å; N305-V307 PolarHBondContact O-N 2.88Å; V307-I309 VanDerWaalsContact C-N 3.31Å; V307-I309 PolarHBondContact O-N 3.11Å; V307-V310 PolarHBondContact O-N 3Å; V307-R311 HydrophobicContact CG1-CG 4.27Å; V307-R311 WeakPolarHBondContact O-CG 3.32Å; V307-R311 PolarHBondContact O-N 3.05Å; V307-F321 HydrophobicContact CG2-CE1 4.07Å; V307-F321 HydrophobicContact CG2-CZ 4.5Å; V307-A328 HydrophobicContact CG2-CB 3.74Å; V307-V333 HydrophobicContact CB-CG1 3.68Å; V307-V333 HydrophobicContact CG1-CG1 3.53Å
308R97.6Very high92.2Very high9 Ų931.5 Ų31.53%0.03418%0.182CC..Hα-helixtrans-60.3-42.7170.3-63.7178.762.380.92.4111.1D251 M254 K304 N305 T306 V312 V333 N335 L336D251-R308 VanDerWaalsContact CG-NH2 3.31Å; D251-R308 IonicContact OD1-CZ 2.66Å; D251-R308 IonicContact OD1-NE 3.11Å; D251-R308 IonicContact OD1-NH2 2.75Å; D251-R308 PolarHBondContact OD1-NH2 2.92Å; D251-R308 IonicContact OD2-CZ 2.87Å; D251-R308 VanDerWaalsContact OD2-CZ 3.23Å; D251-R308 IonicContact OD2-NE 3.41Å; D251-R308 PolarHBondContact OD2-NE 2.83Å; D251-R308 IonicContact OD2-NH2 3.2Å; D251-R308 PolarHBondContact OD2-NH2 3.3Å; M254-R308 HydrophobicContact CE-CB 4.44Å; K304-R308 WeakPolarHBondContact O-CG 3.43Å; K304-R308 PolarHBondContact O-N 3.4Å; K304-R308 VanDerWaalsContact O-N 3.13Å; N305-R308 VanDerWaalsContact O-CB 3.32Å; N305-R308 WeakPolarHBondContact O-CB 3.47Å; N305-R308 PolarHBondContact O-N 3.32Å; N305-R308 VanDerWaalsContact O-N 3.09Å; T306-R308 VanDerWaalsContact C-N 3.28Å; T306-R308 PolarHBondContact O-N 3.45Å; R308-V312 WeakPolarHBondContact O-CB 3.43Å; R308-V312 VanDerWaalsContact O-CG2 3.27Å; R308-V312 WeakPolarHBondContact O-CG2 3.39Å; R308-V312 PolarHBondContact O-N 2.87Å; R308-V333 HydrophobicContact CG-CB 3.65Å; R308-V333 HydrophobicContact CG-CG1 4.22Å; R308-V333 HydrophobicContact CG-CG2 4.14Å; R308-V333 PolarHBondContact NH1-O 2.88Å; R308-N335 PolarHBondContact NH1-O 3.3Å; R308-N335 PolarHBondContact NH2-O 3.39Å; R308-L336 HydrophobicContact CB-CD2 4Å; R308-L336 HydrophobicContact CG-CD2 3.94Å
309I97.9Very high93.5Very high0 Ų034.3 Ų34.30%018%0.175CC..Hα-helixtrans-61.4-52.2176-51.9174.1000110.2L205 M254 A259 I262 E263 I266 N305 T306 V307 R311 V312 W313L205-I309 HydrophobicContact CD1-CB 3.96Å; L205-I309 HydrophobicContact CD1-CD1 4.21Å; L205-I309 HydrophobicContact CD1-CG2 3.87Å; M254-I309 HydrophobicContact CE-CD1 4.07Å; M254-I309 HydrophobicContact CE-CG1 3.58Å; A259-I309 HydrophobicContact CB-CD1 3.57Å; A259-I309 WeakPolarHBondContact O-CD1 3.49Å; I262-I309 HydrophobicContact CB-CD1 4.26Å; I262-I309 HydrophobicContact CG2-CD1 4.42Å; E263-I309 HydrophobicContact CB-CD1 3.75Å; E263-I309 HydrophobicContact CB-CG1 3.69Å; E263-I309 HydrophobicContact CG-CG1 3.95Å; I266-I309 HydrophobicContact CD1-CG2 3.97Å; N305-I309 WeakPolarHBondContact O-CG1 3.25Å; N305-I309 PolarHBondContact O-N 2.99Å; T306-I309 WeakPolarHBondContact O-CA 3.43Å; T306-I309 VanDerWaalsContact O-CB 3.29Å; T306-I309 WeakPolarHBondContact O-CB 3.19Å; T306-I309 PolarHBondContact O-N 3.39Å; V307-I309 VanDerWaalsContact C-N 3.31Å; V307-I309 PolarHBondContact O-N 3.11Å; I309-R311 VanDerWaalsContact C-N 3.28Å; I309-R311 PolarHBondContact O-N 2.9Å; I309-V312 PolarHBondContact O-N 3.44Å; I309-V312 VanDerWaalsContact O-N 3.14Å; I309-W313 HydrophobicContact CG2-CB 4.32Å; I309-W313 WeakPolarHBondContact O-CB 3.35Å; I309-W313 PolarHBondContact O-N 3.14Å
310V97.6Very high94.5Very high1 Ų133 Ų331%0.00616%0.161CC..Hα-helixtrans-54.3-46.6-177176.80000111.6L205 T306 V307 L314 A318 F321 F322L205-V310 HydrophobicContact CD1-CG2 3.95Å; T306-V310 HydrophobicContact CG2-CG2 4.45Å; T306-V310 WeakPolarHBondContact O-CG2 3.48Å; T306-V310 PolarHBondContact O-N 2.81Å; V307-V310 PolarHBondContact O-N 3Å; V310-L314 HydrophobicContact CB-CD1 4.24Å; V310-L314 HydrophobicContact CG1-CD1 4.27Å; V310-L314 HydrophobicContact CG2-CD1 3.8Å; V310-L314 PolarHBondContact O-N 2.91Å; V310-A318 HydrophobicContact CG1-CB 3.5Å; V310-A318 VanDerWaalsContact CG1-CB 3.5Å; V310-F321 HydrophobicContact CB-CD1 4.49Å; V310-F321 HydrophobicContact CG1-CB 4.32Å; V310-F321 HydrophobicContact CG1-CD1 4.3Å; V310-F321 HydrophobicContact CG2-CB 4Å; V310-F321 HydrophobicContact CG2-CD1 3.72Å; V310-F321 HydrophobicContact CG2-CD2 4.04Å; V310-F321 HydrophobicContact CG2-CE1 4.19Å; V310-F321 HydrophobicContact CG2-CG 3.64Å; V310-F322 HydrophobicContact CB-CZ 4.48Å; V310-F322 HydrophobicContact CG1-CE1 3.97Å; V310-F322 HydrophobicContact CG1-CE2 3.92Å; V310-F322 HydrophobicContact CG1-CZ 3.54Å
311R96.9Very high95.1Very high97 Ų9729.5 Ų29.537%0.36614%0.142SC..Hα-helixtrans-73.4-25.9-177.2-69.2-178.6-175.9171.711.2114.2V307 I309 A328 P329 F331 L336V307-R311 HydrophobicContact CG1-CG 4.27Å; V307-R311 WeakPolarHBondContact O-CG 3.32Å; V307-R311 PolarHBondContact O-N 3.05Å; I309-R311 VanDerWaalsContact C-N 3.28Å; I309-R311 PolarHBondContact O-N 2.9Å; R311-A328 PolarHBondContact NH2-O 2.95Å; R311-P329 PolarHBondContact NH2-O 3.47Å; R311-F331 PolarHBondContact NH1-O 3.1Å; R311-F331 PolarHBondContact NH2-O 3.34Å; R311-L336 HydrophobicContact CB-CD1 3.64Å; R311-L336 HydrophobicContact CG-CD1 4.4Å
312V98Very high95.4Very high5 Ų531.1 Ų31.13%0.0315%0.148CC..Hα-helixtrans-95.9-36.6-176.5177.30000112.2R308 I309 L336 R339 I340 R343R308-V312 WeakPolarHBondContact O-CB 3.43Å; R308-V312 VanDerWaalsContact O-CG2 3.27Å; R308-V312 WeakPolarHBondContact O-CG2 3.39Å; R308-V312 PolarHBondContact O-N 2.87Å; I309-V312 PolarHBondContact O-N 3.44Å; I309-V312 VanDerWaalsContact O-N 3.14Å; V312-L336 HydrophobicContact CG2-CB 4.21Å; V312-L336 HydrophobicContact CG2-CD1 4.26Å; V312-L336 HydrophobicContact CG2-CD2 3.96Å; V312-L336 HydrophobicContact CG2-CG 4.38Å; V312-R339 HydrophobicContact CG1-CB 3.92Å; V312-R339 HydrophobicContact CG2-CB 4.04Å; V312-I340 HydrophobicContact CG2-CG1 4.5Å; V312-R343 PolarHBondContact O-NH1 3.28Å
313W98.4Very high95.7Very high2 Ų233.4 Ų33.41%0.00817%0.167CC..Hα-helixtrans-121.1-19.4-161.2-61.7115.5000115.7E263 I266 R267 L270 I309 R343 C348 F351E263-W313 PolarHBondContact OE1-NE1 3.19Å; I266-W313 HydrophobicContact CG2-CB 3.91Å; I266-W313 HydrophobicContact CG2-CG 4.35Å; R267-W313 HydrophobicContact CB-CH2 4.01Å; R267-W313 HydrophobicContact CB-CZ2 3.9Å; R267-W313 HydrophobicContact CB-CZ3 4.42Å; R267-W313 VanDerWaalsContact CD-CZ2 3.46Å; R267-W313 HydrophobicContact CG-CH2 3.71Å; R267-W313 HydrophobicContact CG-CZ2 3.86Å; R267-W313 HydrophobicContact CG-CZ3 4.4Å; L270-W313 HydrophobicContact CD1-CE3 3.75Å; L270-W313 HydrophobicContact CD1-CZ3 4.37Å; I309-W313 HydrophobicContact CG2-CB 4.32Å; I309-W313 WeakPolarHBondContact O-CB 3.35Å; I309-W313 PolarHBondContact O-N 3.14Å; W313-R343 HydrophobicContact CE3-CG 4.29Å; W313-R343 HydrophobicContact CH2-CB 3.86Å; W313-R343 HydrophobicContact CH2-CG 4.12Å; W313-R343 HydrophobicContact CZ3-CB 3.91Å; W313-R343 HydrophobicContact CZ3-CG 3.62Å; W313-C348 HydrophobicContact CZ3-CB 4.42Å; W313-F351 WeakPolarHBondContact O-CB 3.45Å; W313-F351 WeakPolarHBondContact O-CD2 3.41Å
314L97.7Very high95.7Very high0 Ų038.4 Ų38.40%019%0.185CC..  trans-94-1.2-172.6-60.4-166.2000115.1L205 I266 V310 E316 Y317 A318 F351L205-L314 HydrophobicContact CD1-CD1 4.24Å; L205-L314 HydrophobicContact CD2-CD1 4.35Å; I266-L314 HydrophobicContact CD1-CD2 4.05Å; V310-L314 HydrophobicContact CB-CD1 4.24Å; V310-L314 HydrophobicContact CG1-CD1 4.27Å; V310-L314 HydrophobicContact CG2-CD1 3.8Å; V310-L314 PolarHBondContact O-N 2.91Å; L314-E316 PolarHBondContact O-N 3.24Å; L314-Y317 WeakPolarHBondContact O-CA 3.1Å; L314-Y317 VanDerWaalsContact O-CB 3.24Å; L314-Y317 WeakPolarHBondContact O-CB 3.07Å; L314-Y317 PolarHBondContact O-N 3.04Å; L314-A318 HydrophobicContact CB-CB 4.45Å; L314-A318 PolarHBondContact O-N 3.44Å; L314-F351 HydrophobicContact CD2-CD1 4.01Å; L314-F351 HydrophobicContact CD2-CD2 3.68Å; L314-F351 HydrophobicContact CD2-CE1 3.71Å; L314-F351 HydrophobicContact CD2-CE2 3.37Å; L314-F351 HydrophobicContact CD2-CG 4.01Å; L314-F351 HydrophobicContact CD2-CZ 3.38Å
315D97.7Very high95.7Very high53 Ų5340.1 Ų40.128%0.28319%0.192SC..G310 helixtrans47.8-132.3176.9-57.8-35.1000112.9Y317 A318 R343 D350 F351D315-Y317 PolarHBondContact O-N 2.99Å; D315-A318 WeakPolarHBondContact O-CB 3.45Å; D315-A318 PolarHBondContact O-N 2.9Å; D315-R343 IonicContact OD1-CZ 3.93Å; D315-R343 IonicContact OD1-NH1 2.81Å; D315-R343 PolarHBondContact OD1-NH1 3.28Å; D315-R343 IonicContact OD1-NH2 3.81Å; D315-R343 PolarHBondContact OD1-NH2 2.92Å; D315-R343 IonicContact OD2-CZ 2.9Å; D315-R343 IonicContact OD2-NH1 3.73Å; D315-R343 IonicContact OD2-NH2 3.64Å; D315-R343 PolarHBondContact OD2-NH2 3.23Å; D315-D350 WeakPolarHBondContact OD2-CA 3.44Å; D315-D350 WeakPolarHBondContact OD2-CB 3.49Å; D315-F351 HydrophobicContact CB-CB 4.36Å; D315-F351 PolarHBondContact OD2-N 2.7Å
316E96.2Very high95.4Very high104 Ų10444.7 Ų44.749%0.48622%0.222SC..G310 helixtrans-65.6-16.5177.467.8-89.8-154.700114.2L314 A318 K319L314-E316 PolarHBondContact O-N 3.24Å; E316-A318 VanDerWaalsContact C-N 3.25Å; E316-A318 PolarHBondContact O-N 3.47Å; E316-K319 WeakPolarHBondContact O-CD 3.37Å; E316-K319 VanDerWaalsContact O-CG 3.31Å; E316-K319 WeakPolarHBondContact O-CG 3.25Å
317Y96.5Very high95.1Very high31 Ų3150.3 Ų50.312%0.12225%0.251CS..G310 helixtrans-80.8-6.2179.6-55.2-89.6000112.7W203 L314 D315 K319 N320 F351 K352 L355 E366W203-Y317 HydrophobicContact CH2-CD1 4.03Å; W203-Y317 HydrophobicContact CH2-CG 4.4Å; L314-Y317 WeakPolarHBondContact O-CA 3.1Å; L314-Y317 VanDerWaalsContact O-CB 3.24Å; L314-Y317 WeakPolarHBondContact O-CB 3.07Å; L314-Y317 PolarHBondContact O-N 3.04Å; D315-Y317 PolarHBondContact O-N 2.99Å; Y317-K319 PolarHBondContact O-N 3.43Å; Y317-K319 VanDerWaalsContact O-N 3.09Å; Y317-N320 WeakPolarHBondContact O-CB 2.81Å; Y317-N320 PolarHBondContact O-N 3Å; Y317-F351 HydrophobicContact CD2-CB 4.19Å; Y317-F351 AromaticContact CD2-CD1 3.71Å; Y317-F351 HydrophobicContact CD2-CD1 3.71Å; Y317-F351 HydrophobicContact CD2-CG 4.45Å; Y317-F351 AromaticContact CG-CD1 3.89Å; Y317-F351 HydrophobicContact CG-CD1 3.89Å; Y317-F351 HydrophobicContact CG-CE1 4.5Å; Y317-K352 HydrophobicContact CE2-CB 3.91Å; Y317-K352 WeakPolarHBondContact OH-CG 3.3Å; Y317-L355 HydrophobicContact CD1-CD1 3.57Å; Y317-L355 HydrophobicContact CD2-CD1 4.17Å; Y317-L355 HydrophobicContact CE1-CD1 3.42Å; Y317-L355 VanDerWaalsContact CE1-CD1 3.42Å; Y317-L355 HydrophobicContact CE2-CD1 4.07Å; Y317-L355 HydrophobicContact CG-CD1 3.94Å; Y317-E366 WeakPolarHBondContact CD1-OE1 3.03Å; Y317-E366 WeakPolarHBondContact CE1-OE1 3.36Å
318A95.8Very high94.8Very high14 Ų1450.3 Ų50.312%0.11625%0.251CS..Hα-helixtrans-53.2-29.9169.700000112.6V310 L314 D315 E316 N320 F321 F322V310-A318 HydrophobicContact CG1-CB 3.5Å; V310-A318 VanDerWaalsContact CG1-CB 3.5Å; L314-A318 HydrophobicContact CB-CB 4.45Å; L314-A318 PolarHBondContact O-N 3.44Å; D315-A318 WeakPolarHBondContact O-CB 3.45Å; D315-A318 PolarHBondContact O-N 2.9Å; E316-A318 VanDerWaalsContact C-N 3.25Å; E316-A318 PolarHBondContact O-N 3.47Å; A318-N320 PolarHBondContact O-N 2.99Å; A318-F321 PolarHBondContact O-N 3.17Å; A318-F322 HydrophobicContact CB-CD2 4.23Å; A318-F322 HydrophobicContact CB-CE2 3.85Å; A318-F322 WeakPolarHBondContact O-CD2 3.35Å; A318-F322 WeakPolarHBondContact O-CG 3.36Å; A318-F322 PolarHBondContact O-N 2.63Å
319K94.1Very high94.3Very high128 Ų12852.8 Ų52.856%0.55727%0.268SS*.Hα-helixtrans-56.4-34.3174.773.5-171.7176.3173.80112.9E316 Y317 F322 A323E316-K319 WeakPolarHBondContact O-CD 3.37Å; E316-K319 VanDerWaalsContact O-CG 3.31Å; E316-K319 WeakPolarHBondContact O-CG 3.25Å; Y317-K319 PolarHBondContact O-N 3.43Å; Y317-K319 VanDerWaalsContact O-N 3.09Å; K319-F322 PolarHBondContact O-N 3.35Å; K319-A323 WeakPolarHBondContact O-CB 3.4Å; K319-A323 PolarHBondContact O-N 3.16Å
320N93.5Very high93.8Very high24 Ų2461.4 Ų61.413%0.12831%0.306CS..Hα-helixtrans-67.9-45.3-177.3-61.7-10.4000109.7W203 Y317 A318 A323 Y324 E366W203-N320 HydrophobicContact CD2-CB 3.74Å; W203-N320 HydrophobicContact CE3-CB 3.52Å; W203-N320 HydrophobicContact CG-CB 4.21Å; W203-N320 WeakPolarHBondContact CH2-ND2 3.29Å; W203-N320 VanDerWaalsContact CZ2-ND2 3.31Å; W203-N320 WeakPolarHBondContact CZ2-ND2 3.46Å; W203-N320 HydrophobicContact CZ3-CB 3.97Å; W203-N320 VanDerWaalsContact CZ3-ND2 3.31Å; W203-N320 WeakPolarHBondContact CZ3-ND2 3.49Å; Y317-N320 WeakPolarHBondContact O-CB 2.81Å; Y317-N320 PolarHBondContact O-N 3Å; A318-N320 PolarHBondContact O-N 2.99Å; N320-A323 PolarHBondContact O-N 3.27Å; N320-Y324 WeakPolarHBondContact O-CD2 3.48Å; N320-E366 VanDerWaalsContact ND2-CD 3.34Å; N320-E366 PolarHBondContact ND2-OE1 3.12Å
321F94.1Very high93.3Very high5 Ų564.4 Ų64.42%0.02232%0.319CS..Hα-helixtrans-62.5-46.1173.2-179.9-92.4000111.7W203 L204 T306 V307 V310 A318 A323 Y324 K325 A328W203-F321 WeakPolarHBondContact O-CD2 3.4Å; L204-F321 HydrophobicContact CD2-CD2 4.43Å; L204-F321 HydrophobicContact CD2-CE2 4.26Å; T306-F321 HydrophobicContact CG2-CD2 4.16Å; T306-F321 HydrophobicContact CG2-CE2 3.35Å; T306-F321 HydrophobicContact CG2-CZ 3.57Å; V307-F321 HydrophobicContact CG2-CE1 4.07Å; V307-F321 HydrophobicContact CG2-CZ 4.5Å; V310-F321 HydrophobicContact CB-CD1 4.49Å; V310-F321 HydrophobicContact CG1-CB 4.32Å; V310-F321 HydrophobicContact CG1-CD1 4.3Å; V310-F321 HydrophobicContact CG2-CB 4Å; V310-F321 HydrophobicContact CG2-CD1 3.72Å; V310-F321 HydrophobicContact CG2-CD2 4.04Å; V310-F321 HydrophobicContact CG2-CE1 4.19Å; V310-F321 HydrophobicContact CG2-CG 3.64Å; A318-F321 PolarHBondContact O-N 3.17Å; F321-A323 VanDerWaalsContact C-N 3.29Å; F321-A323 PolarHBondContact O-N 3.27Å; F321-Y324 PolarHBondContact O-N 3.41Å; F321-K325 HydrophobicContact CD1-CB 4.35Å; F321-K325 HydrophobicContact CE1-CB 3.89Å; F321-K325 HydrophobicContact CE1-CG 4.2Å; F321-K325 HydrophobicContact CE2-CG 4.38Å; F321-K325 HydrophobicContact CZ-CB 4.17Å; F321-K325 HydrophobicContact CZ-CG 3.95Å; F321-K325 PolarHBondContact O-N 3.17Å; F321-A328 HydrophobicContact CD1-CB 4.45Å; F321-A328 HydrophobicContact CE1-CB 3.68Å
322F93.6Very high93Very high46 Ų4666.1 Ų66.120%0.20234%0.335CS..Hα-helixtrans-68.9-24.4-178-63.2-40.5000113.9V310 A318 K319 Y324 K325 P326 A328 P329V310-F322 HydrophobicContact CB-CZ 4.48Å; V310-F322 HydrophobicContact CG1-CE1 3.97Å; V310-F322 HydrophobicContact CG1-CE2 3.92Å; V310-F322 HydrophobicContact CG1-CZ 3.54Å; A318-F322 HydrophobicContact CB-CD2 4.23Å; A318-F322 HydrophobicContact CB-CE2 3.85Å; A318-F322 WeakPolarHBondContact O-CD2 3.35Å; A318-F322 WeakPolarHBondContact O-CG 3.36Å; A318-F322 PolarHBondContact O-N 2.63Å; K319-F322 PolarHBondContact O-N 3.35Å; F322-Y324 VanDerWaalsContact C-N 3.32Å; F322-K325 CarbonylContact O-C 3.53Å; F322-K325 PolarHBondContact O-N 2.63Å; F322-P326 WeakPolarHBondContact O-CA 3.33Å; F322-P326 VanDerWaalsContact O-N 3.13Å; F322-A328 HydrophobicContact CD1-CB 3.98Å; F322-A328 HydrophobicContact CE1-CB 4.01Å; F322-P329 HydrophobicContact CB-CG 4.17Å; F322-P329 HydrophobicContact CD1-CG 3.51Å; F322-P329 HydrophobicContact CD2-CG 4.09Å; F322-P329 HydrophobicContact CE1-CG 3.82Å; F322-P329 HydrophobicContact CE2-CG 4.35Å; F322-P329 HydrophobicContact CG-CG 3.67Å; F322-P329 HydrophobicContact CZ-CG 4.24Å
323A92.3Very high92.7Very high79 Ų7965.9 Ų65.965%0.65333%0.334SS*.Hα-helixtrans-62.2-40.3171.300000111.5K319 N320 F321K319-A323 WeakPolarHBondContact O-CB 3.4Å; K319-A323 PolarHBondContact O-N 3.16Å; N320-A323 PolarHBondContact O-N 3.27Å; F321-A323 VanDerWaalsContact C-N 3.29Å; F321-A323 PolarHBondContact O-N 3.27Å
324Y91.4Very high92.5Very high148 Ų14867.9 Ų67.958%0.5836%0.355SS*.Hα-helixtrans-79.7-26.5174.2-66.2-78.2000113.3W203 L204 N320 F321 F322W203-Y324 HydrophobicContact CB-CD2 4.38Å; W203-Y324 HydrophobicContact CB-CE2 4.05Å; L204-Y324 HydrophobicContact CD2-CG 4.23Å; L204-Y324 HydrophobicContact CG-CG 4.48Å; N320-Y324 WeakPolarHBondContact O-CD2 3.48Å; F321-Y324 PolarHBondContact O-N 3.41Å; F322-Y324 VanDerWaalsContact C-N 3.32Å
325K92.1Very high92.4Very high81 Ų8174 Ų7435%0.35239%0.388SS..  trans-127.770.9-176.6-67.1-70.2-170.81620111.8L204 E303 F321 F322 L327 A328L204-K325 HydrophobicContact CD2-CG 3.79Å; E303-K325 IonicContact OE1-NZ 3.59Å; F321-K325 HydrophobicContact CD1-CB 4.35Å; F321-K325 HydrophobicContact CE1-CB 3.89Å; F321-K325 HydrophobicContact CE1-CG 4.2Å; F321-K325 HydrophobicContact CE2-CG 4.38Å; F321-K325 HydrophobicContact CZ-CB 4.17Å; F321-K325 HydrophobicContact CZ-CG 3.95Å; F321-K325 PolarHBondContact O-N 3.17Å; F322-K325 CarbonylContact O-C 3.53Å; F322-K325 PolarHBondContact O-N 2.63Å; K325-L327 PolarHBondContact O-N 3.14Å; K325-A328 HydrophobicContact CB-CB 3.85Å; K325-A328 VanDerWaalsContact O-CB 3.26Å; K325-A328 WeakPolarHBondContact O-CB 3.28Å; K325-A328 PolarHBondContact O-N 2.67Å
326P90.2Very high92.4Very high97 Ų9772.5 Ų72.563%0.6338%0.38SS*.THydrogen-bonded Turntrans-65.1-17.5-173.124.4-35.1000114.6F322 P329F322-P326 WeakPolarHBondContact O-CA 3.33Å; F322-P326 VanDerWaalsContact O-N 3.13Å; P326-P329 WeakPolarHBondContact O-CD 3.29Å
327L90Very high92.5Very high132 Ų13271.9 Ų71.969%0.69138%0.377SS*.THydrogen-bonded Turntrans-87-17.4175.4-62.8-180000113.5K325 P329 K330K325-L327 PolarHBondContact O-N 3.14Å; L327-P329 VanDerWaalsContact C-CD 3.43Å; L327-K330 PolarHBondContact O-N 3.47Å; L327-K330 VanDerWaalsContact O-N 3.1Å
328A89.2Confident92.5Very high1 Ų176 Ų761%0.00840%0.397CS..G310 helixtrans-62.5-31.8-176.700000115.2V307 R311 F321 F322 K325 K330 F331V307-A328 HydrophobicContact CG2-CB 3.74Å; R311-A328 PolarHBondContact NH2-O 2.95Å; F321-A328 HydrophobicContact CD1-CB 4.45Å; F321-A328 HydrophobicContact CE1-CB 3.68Å; F322-A328 HydrophobicContact CD1-CB 3.98Å; F322-A328 HydrophobicContact CE1-CB 4.01Å; K325-A328 HydrophobicContact CB-CB 3.85Å; K325-A328 VanDerWaalsContact O-CB 3.26Å; K325-A328 WeakPolarHBondContact O-CB 3.28Å; K325-A328 PolarHBondContact O-N 2.67Å; A328-K330 PolarHBondContact O-N 3.35Å; A328-K330 VanDerWaalsContact O-N 3.16Å; A328-F331 VanDerWaalsContact O-CB 3.24Å; A328-F331 WeakPolarHBondContact O-CB 3.45Å; A328-F331 PolarHBondContact O-N 3.34Å
329P87.2Confident92.6Very high61 Ų6175.6 Ų75.640%0.39639%0.393SS..G310 helixtrans-59-25.6172.9-26.535.5000114R311 F322 P326 L327 F331R311-P329 PolarHBondContact NH2-O 3.47Å; F322-P329 HydrophobicContact CB-CG 4.17Å; F322-P329 HydrophobicContact CD1-CG 3.51Å; F322-P329 HydrophobicContact CD2-CG 4.09Å; F322-P329 HydrophobicContact CE1-CG 3.82Å; F322-P329 HydrophobicContact CE2-CG 4.35Å; F322-P329 HydrophobicContact CG-CG 3.67Å; F322-P329 HydrophobicContact CZ-CG 4.24Å; P326-P329 WeakPolarHBondContact O-CD 3.29Å; L327-P329 VanDerWaalsContact C-CD 3.43Å; P329-F331 VanDerWaalsContact C-N 3.34Å
330K87.3Confident92.8Very high181 Ų18172.1 Ų72.179%0.78738%0.38SS*.G310 helixtrans-86.7-5.5179-61.7-179.3-179.8178.20113.3L327 A328 D332L327-K330 PolarHBondContact O-N 3.47Å; L327-K330 VanDerWaalsContact O-N 3.1Å; A328-K330 PolarHBondContact O-N 3.35Å; A328-K330 VanDerWaalsContact O-N 3.16Å; K330-D332 PolarHBondContact O-N 3.42Å
331F86.5Confident93Very high64 Ų6474.4 Ų74.428%0.28139%0.392SS..  trans-69.7131.1-176.3-150.1-89.8000110.6K304 R311 A328 P329 V333K304-F331 HydrophobicContact CB-CD1 4.23Å; K304-F331 HydrophobicContact CB-CE1 3.54Å; K304-F331 HydrophobicContact CB-CZ 4.34Å; K304-F331 HydrophobicContact CG-CD1 4.33Å; K304-F331 HydrophobicContact CG-CE1 3.88Å; R311-F331 PolarHBondContact NH1-O 3.1Å; R311-F331 PolarHBondContact NH2-O 3.34Å; A328-F331 VanDerWaalsContact O-CB 3.24Å; A328-F331 WeakPolarHBondContact O-CB 3.45Å; A328-F331 PolarHBondContact O-N 3.34Å; P329-F331 VanDerWaalsContact C-N 3.34Å; F331-V333 HydrophobicContact CD1-CG1 4.1Å; F331-V333 PolarHBondContact O-N 3.05Å
332D90.7Very high93.3Very high132 Ų13274.4 Ų74.471%0.70639%0.392SS*.  trans-77.3115.1170.2-179.113.1000109.1K330 G334K330-D332 PolarHBondContact O-N 3.42Å; D332-G334 PolarHBondContact OD1-N 3.39Å
333V93.2Very high93.5Very high1 Ų174.2 Ų74.21%0.00639%0.39CS..  trans-107.52.6179.8-59.30000112.7K304 V307 R308 F331 L336K304-V333 HydrophobicContact CG-CB 4.47Å; K304-V333 HydrophobicContact CG-CG1 4.37Å; V307-V333 HydrophobicContact CB-CG1 3.68Å; V307-V333 HydrophobicContact CG1-CG1 3.53Å; R308-V333 HydrophobicContact CG-CB 3.65Å; R308-V333 HydrophobicContact CG-CG1 4.22Å; R308-V333 HydrophobicContact CG-CG2 4.14Å; R308-V333 PolarHBondContact NH1-O 2.88Å; F331-V333 HydrophobicContact CD1-CG1 4.1Å; F331-V333 PolarHBondContact O-N 3.05Å; V333-L336 HydrophobicContact CG2-CD1 3.98Å; V333-L336 HydrophobicContact CG2-CD2 4.06Å; V333-L336 HydrophobicContact CG2-CG 4.07Å
334G93.4Very high93.8Very high44 Ų4477 Ų7745%0.45439%0.387SS..  trans70.8-165-17100000113.4D332D332-G334 PolarHBondContact OD1-N 3.39Å
335N96Very high94.1Very high127 Ų12778.6 Ų78.668%0.67939%0.392SS*.  trans-70.1135.3-176.2-167.4-11.9000112R308 Q337R308-N335 PolarHBondContact NH1-O 3.3Å; R308-N335 PolarHBondContact NH2-O 3.39Å; N335-Q337 WeakPolarHBondContact OD1-CB 3.34Å; N335-Q337 PolarHBondContact OD1-N 2.92Å
336L97.3Very high94.4Very high23 Ų2376.7 Ų76.712%0.1239%0.386CS..  trans-113.5-4.7177.3-62.6177000113.3R308 R311 V312 V333 E338 R339 I340R308-L336 HydrophobicContact CB-CD2 4Å; R308-L336 HydrophobicContact CG-CD2 3.94Å; R311-L336 HydrophobicContact CB-CD1 3.64Å; R311-L336 HydrophobicContact CG-CD1 4.4Å; V312-L336 HydrophobicContact CG2-CB 4.21Å; V312-L336 HydrophobicContact CG2-CD1 4.26Å; V312-L336 HydrophobicContact CG2-CD2 3.96Å; V312-L336 HydrophobicContact CG2-CG 4.38Å; V333-L336 HydrophobicContact CG2-CD1 3.98Å; V333-L336 HydrophobicContact CG2-CD2 4.06Å; V333-L336 HydrophobicContact CG2-CG 4.07Å; L336-E338 VanDerWaalsContact C-N 3.33Å; L336-E338 PolarHBondContact O-N 3.44Å; L336-R339 PolarHBondContact O-N 2.92Å; L336-I340 HydrophobicContact CB-CD1 4.03Å; L336-I340 HydrophobicContact CB-CG1 4.48Å; L336-I340 WeakPolarHBondContact O-CG1 3.49Å; L336-I340 PolarHBondContact O-N 2.74Å
337Q97.7Very high94.7Very high90 Ų9082.9 Ų82.942%0.42140%0.396SS..Hα-helixtrans-57.7-43.3-170.4-17159.845.500112.4N335 R339 I340 D341N335-Q337 WeakPolarHBondContact OD1-CB 3.34Å; N335-Q337 PolarHBondContact OD1-N 2.92Å; Q337-R339 VanDerWaalsContact C-N 3.29Å; Q337-R339 PolarHBondContact O-N 3.3Å; Q337-I340 PolarHBondContact O-N 2.94Å; Q337-D341 WeakPolarHBondContact CG-OD2 3.41Å; Q337-D341 PolarHBondContact NE2-OD1 2.9Å; Q337-D341 PolarHBondContact NE2-OD2 2.78Å; Q337-D341 WeakPolarHBondContact O-CB 3.41Å; Q337-D341 PolarHBondContact O-N 3.41Å
338E97.2Very high95.1Very high119 Ų11977.5 Ų77.556%0.55637%0.37SS*.Hα-helixtrans-56.7-42.3177.1-172-168.315300112.1L336 L342L336-E338 VanDerWaalsContact C-N 3.33Å; L336-E338 PolarHBondContact O-N 3.44Å; E338-L342 VanDerWaalsContact O-CB 3.26Å; E338-L342 WeakPolarHBondContact O-CB 3.31Å; E338-L342 PolarHBondContact O-N 2.59Å
339R98.3Very high95.6Very high4 Ų483.6 Ų83.62%0.01539%0.393CS..Hα-helixtrans-73.3-38.1-179.7-62.4-70.4150.5-166.6-14.4111.7G248 F250 D251 V312 L336 Q337 R343G248-R339 PolarHBondContact O-NH1 3.47Å; G248-R339 PolarHBondContact O-NH2 2.97Å; F250-R339 PolarHBondContact O-NH2 2.56Å; D251-R339 IonicContact OD1-CZ 3.17Å; D251-R339 IonicContact OD1-NE 3.49Å; D251-R339 PolarHBondContact OD1-NE 3.2Å; D251-R339 IonicContact OD1-NH2 2.91Å; V312-R339 HydrophobicContact CG1-CB 3.92Å; V312-R339 HydrophobicContact CG2-CB 4.04Å; L336-R339 PolarHBondContact O-N 2.92Å; Q337-R339 VanDerWaalsContact C-N 3.29Å; Q337-R339 PolarHBondContact O-N 3.3Å; R339-R343 PolarHBondContact O-N 3.2Å
340I98.2Very high96.1Very high56 Ų5684.2 Ų84.229%0.28739%0.393SS..Hα-helixtrans-63.5-44.6174.5-66.7167000110.5V312 L336 Q337 R343 K344V312-I340 HydrophobicContact CG2-CG1 4.5Å; L336-I340 HydrophobicContact CB-CD1 4.03Å; L336-I340 HydrophobicContact CB-CG1 4.48Å; L336-I340 WeakPolarHBondContact O-CG1 3.49Å; L336-I340 PolarHBondContact O-N 2.74Å; Q337-I340 PolarHBondContact O-N 2.94Å; I340-R343 PolarHBondContact O-N 2.82Å; I340-K344 HydrophobicContact CG2-CD 4.44Å; I340-K344 WeakPolarHBondContact O-CG 3.31Å; I340-K344 PolarHBondContact O-N 3.42Å; I340-K344 VanDerWaalsContact O-N 3.09Å
341D98.2Very high96.6Very high71 Ų7175.6 Ų75.638%0.3836%0.355SS..Hα-helixtrans-70.7-36.5-179.9-69.4-24.2000112.1Q337 K344 R345Q337-D341 WeakPolarHBondContact CG-OD2 3.41Å; Q337-D341 PolarHBondContact NE2-OD1 2.9Å; Q337-D341 PolarHBondContact NE2-OD2 2.78Å; Q337-D341 WeakPolarHBondContact O-CB 3.41Å; Q337-D341 PolarHBondContact O-N 3.41Å; D341-K344 PolarHBondContact O-N 2.93Å; D341-R345 VanDerWaalsContact O-CB 3.27Å; D341-R345 WeakPolarHBondContact O-CB 3.38Å; D341-R345 PolarHBondContact O-N 2.76Å
342L98.3Very high97.2Very high5 Ų578.5 Ų78.53%0.02637%0.368CS..Hα-helixtrans-57.5-49.5170.2175.569.3000111.3L247 E338 K344 R345 L346L247-L342 WeakPolarHBondContact O-CD2 3.29Å; E338-L342 VanDerWaalsContact O-CB 3.26Å; E338-L342 WeakPolarHBondContact O-CB 3.31Å; E338-L342 PolarHBondContact O-N 2.59Å; L342-K344 VanDerWaalsContact C-N 3.3Å; L342-K344 PolarHBondContact O-N 2.99Å; L342-R345 VanDerWaalsContact CD1-NH2 3.32Å; L342-R345 PolarHBondContact O-N 3.4Å; L342-L346 HydrophobicContact CD1-CD1 3.7Å; L342-L346 HydrophobicContact CD1-CG 4.12Å; L342-L346 HydrophobicContact CG-CD1 4.11Å; L342-L346 WeakPolarHBondContact O-CB 3.44Å; L342-L346 WeakPolarHBondContact O-CG 3.13Å; L342-L346 PolarHBondContact O-N 3.18Å
343R98.4Very high97.5Very high43 Ų4375.1 Ų75.116%0.16235%0.345CS..Hα-helixtrans-56.5-43.3177.5-177.2175.9-179.1-165.7-3.6111.9V312 W313 D315 R339 I340 R347 C348V312-R343 PolarHBondContact O-NH1 3.28Å; W313-R343 HydrophobicContact CE3-CG 4.29Å; W313-R343 HydrophobicContact CH2-CB 3.86Å; W313-R343 HydrophobicContact CH2-CG 4.12Å; W313-R343 HydrophobicContact CZ3-CB 3.91Å; W313-R343 HydrophobicContact CZ3-CG 3.62Å; D315-R343 IonicContact OD1-CZ 3.93Å; D315-R343 IonicContact OD1-NH1 2.81Å; D315-R343 PolarHBondContact OD1-NH1 3.28Å; D315-R343 IonicContact OD1-NH2 3.81Å; D315-R343 PolarHBondContact OD1-NH2 2.92Å; D315-R343 IonicContact OD2-CZ 2.9Å; D315-R343 IonicContact OD2-NH1 3.73Å; D315-R343 IonicContact OD2-NH2 3.64Å; D315-R343 PolarHBondContact OD2-NH2 3.23Å; R339-R343 PolarHBondContact O-N 3.2Å; I340-R343 PolarHBondContact O-N 2.82Å; R343-R347 PolarHBondContact O-N 2.68Å; R343-C348 HydrophobicContact CG-CB 4.02Å; R343-C348 PolarHBondContact O-N 3.08Å; R343-C348 PolarHBondContact O-SG 3.31Å
344K98.1Very high97.8Very high137 Ų13775.1 Ų75.160%0.59635%0.345SS*.Hα-helixtrans-66.4-48.2176.3-69.6172.2-175.8170.90112.3I340 D341 L342 L346 R347I340-K344 HydrophobicContact CG2-CD 4.44Å; I340-K344 WeakPolarHBondContact O-CG 3.31Å; I340-K344 PolarHBondContact O-N 3.42Å; I340-K344 VanDerWaalsContact O-N 3.09Å; D341-K344 PolarHBondContact O-N 2.93Å; L342-K344 VanDerWaalsContact C-N 3.3Å; L342-K344 PolarHBondContact O-N 2.99Å; K344-L346 VanDerWaalsContact C-N 3.32Å; K344-L346 PolarHBondContact O-N 3.02Å; K344-R347 PolarHBondContact O-N 2.78Å
345R98Very high98Very high182 Ų18273.2 Ų73.269%0.68733%0.325SS*.Hα-helixtrans-60.6-40.8-177.8178.2175.258.1-165.9-4.7112.1D341 L342 R347D341-R345 VanDerWaalsContact O-CB 3.27Å; D341-R345 WeakPolarHBondContact O-CB 3.38Å; D341-R345 PolarHBondContact O-N 2.76Å; L342-R345 VanDerWaalsContact CD1-NH2 3.32Å; L342-R345 PolarHBondContact O-N 3.4Å; R345-R347 VanDerWaalsContact C-N 3.25Å; R345-R347 PolarHBondContact O-N 3.21Å
346L98Very high98Very high41 Ų4169.3 Ų69.322%0.21531%0.314CS..THydrogen-bonded Turntrans-80.8-3.2177.9-66.2179.8000113.5Q246 L247 C271 L342 K344 C348Q246-L346 HydrophobicContact CG-CD2 4.29Å; L247-L346 HydrophobicContact CD2-CD1 4.43Å; C271-L346 HydrophobicContact CB-CB 4.3Å; C271-L346 HydrophobicContact CB-CD1 4.08Å; L342-L346 HydrophobicContact CD1-CD1 3.7Å; L342-L346 HydrophobicContact CD1-CG 4.12Å; L342-L346 HydrophobicContact CG-CD1 4.11Å; L342-L346 WeakPolarHBondContact O-CB 3.44Å; L342-L346 WeakPolarHBondContact O-CG 3.13Å; L342-L346 PolarHBondContact O-N 3.18Å; K344-L346 VanDerWaalsContact C-N 3.32Å; K344-L346 PolarHBondContact O-N 3.02Å; L346-C348 VanDerWaalsContact CB-SG 3.53Å; L346-C348 PolarHBondContact O-N 2.92Å
347R98.1Very high98Very high226 Ų22674.8 Ų74.885%0.85334%0.339SS*.THydrogen-bonded Turntrans51.344.8-177.7-55.6-179.9-176.8179.80.3111.9R343 K344 R345R343-R347 PolarHBondContact O-N 2.68Å; K344-R347 PolarHBondContact O-N 2.78Å; R345-R347 VanDerWaalsContact C-N 3.25Å; R345-R347 PolarHBondContact O-N 3.21Å
348C98.4Very high98Very high20 Ų2071.3 Ų71.314%0.13532%0.324CS..PPolyproline II helixtrans-65.5149.6-176.9-46.90000110.9L270 C271 W313 R343 L346L270-C348 HydrophobicContact CB-CB 4.1Å; L270-C348 CarbonylContact O-C 3.15Å; L270-C348 WeakPolarHBondContact O-CA 3.46Å; L270-C348 WeakPolarHBondContact O-CB 3.41Å; C271-C348 HydrophobicContact CB-CB 4.06Å; C271-C348 WeakPolarHBondContact CB-SG 3.48Å; C271-C348 WeakPolarHBondContact SG-CB 3.21Å; C271-C348 CovalentContact SG-SG 2.04Å; C271-C348 PolarHBondContact SG-SG 2.78Å; W313-C348 HydrophobicContact CZ3-CB 4.42Å; R343-C348 HydrophobicContact CG-CB 4.02Å; R343-C348 PolarHBondContact O-N 3.08Å; R343-C348 PolarHBondContact O-SG 3.31Å; L346-C348 VanDerWaalsContact CB-SG 3.53Å; L346-C348 PolarHBondContact O-N 2.92Å
349R98.4Very high98.1Very high128 Ų12866 Ų6648%0.48330%0.299SS..PPolyproline II helixtrans-67.2168.4176-56.4-178.9-171.2-152.44.9110.9L270 W353L270-R349 HydrophobicContact CD2-CB 4.21Å; L270-R349 PolarHBondContact O-N 3.21Å; R349-W353 HydrophobicContact CB-CB 4.11Å; R349-W353 HydrophobicContact CB-CD2 4.02Å; R349-W353 HydrophobicContact CB-CE3 3.92Å; R349-W353 HydrophobicContact CB-CG 4.07Å; R349-W353 HydrophobicContact CG-CD2 4.22Å; R349-W353 HydrophobicContact CG-CE3 4.32Å; R349-W353 HydrophobicContact CG-CG 4.43Å
350D98.2Very high98Very high75 Ų7568.9 Ų68.940%0.40132%0.318SS..PPolyproline II helixtrans-80.9162.9173.560.123.8000111.9L270 D315 K352 W353 Y354L270-D350 WeakPolarHBondContact CD2-O 3.5Å; D315-D350 WeakPolarHBondContact OD2-CA 3.44Å; D315-D350 WeakPolarHBondContact OD2-CB 3.49Å; D350-K352 PolarHBondContact O-N 3.44Å; D350-W353 WeakPolarHBondContact O-CB 3.25Å; D350-W353 PolarHBondContact O-N 3.37Å; D350-W353 WeakPolarHBondContact OD1-CB 3.49Å; D350-W353 PolarHBondContact OD1-N 3.18Å; D350-Y354 PolarHBondContact O-N 3.1Å
351F98.3Very high97.8Very high0 Ų070.1 Ų70.10%032%0.323CS..Hα-helixtrans-67.1-27.9179.1-161.9-111.2000112.3F201 W203 I266 W313 L314 D315 Y317 W353 Y354 L355 L362F201-F351 HydrophobicContact CZ-CZ 4.45Å; W203-F351 HydrophobicContact CH2-CE1 4.25Å; W203-F351 HydrophobicContact CZ3-CE1 4.15Å; I266-F351 HydrophobicContact CD1-CE2 4.02Å; I266-F351 HydrophobicContact CG1-CE2 4.22Å; I266-F351 HydrophobicContact CG2-CD2 4.12Å; I266-F351 HydrophobicContact CG2-CE2 4.03Å; W313-F351 WeakPolarHBondContact O-CB 3.45Å; W313-F351 WeakPolarHBondContact O-CD2 3.41Å; L314-F351 HydrophobicContact CD2-CD1 4.01Å; L314-F351 HydrophobicContact CD2-CD2 3.68Å; L314-F351 HydrophobicContact CD2-CE1 3.71Å; L314-F351 HydrophobicContact CD2-CE2 3.37Å; L314-F351 HydrophobicContact CD2-CG 4.01Å; L314-F351 HydrophobicContact CD2-CZ 3.38Å; D315-F351 HydrophobicContact CB-CB 4.36Å; D315-F351 PolarHBondContact OD2-N 2.7Å; Y317-F351 HydrophobicContact CD2-CB 4.19Å; Y317-F351 AromaticContact CD2-CD1 3.71Å; Y317-F351 HydrophobicContact CD2-CD1 3.71Å; Y317-F351 HydrophobicContact CD2-CG 4.45Å; Y317-F351 AromaticContact CG-CD1 3.89Å; Y317-F351 HydrophobicContact CG-CD1 3.89Å; Y317-F351 HydrophobicContact CG-CE1 4.5Å; F351-W353 VanDerWaalsContact C-N 3.28Å; F351-W353 PolarHBondContact O-N 3.15Å; F351-Y354 HydrophobicContact CD2-CD1 4.23Å; F351-Y354 HydrophobicContact CD2-CG 4.35Å; F351-Y354 AromaticContact CE2-CD1 3.57Å; F351-Y354 HydrophobicContact CE2-CD1 3.57Å; F351-Y354 HydrophobicContact CE2-CE1 4.1Å; F351-Y354 HydrophobicContact CE2-CG 4.07Å; F351-Y354 AromaticContact CZ-CD1 3.88Å; F351-Y354 HydrophobicContact CZ-CD1 3.88Å; F351-Y354 HydrophobicContact CZ-CE1 4.28Å; F351-Y354 WeakPolarHBondContact O-CB 3.28Å; F351-Y354 PolarHBondContact O-N 3.08Å; F351-Y354 VanDerWaalsContact O-N 3.08Å; F351-L355 HydrophobicContact CD1-CD1 3.89Å; F351-L355 HydrophobicContact CD1-CG 3.97Å; F351-L355 HydrophobicContact CE1-CD1 3.87Å; F351-L355 HydrophobicContact CE1-CD2 3.79Å; F351-L355 HydrophobicContact CE1-CG 3.74Å; F351-L355 HydrophobicContact CZ-CD2 4.17Å; F351-L355 HydrophobicContact CZ-CG 4.39Å; F351-L355 PolarHBondContact O-N 3.42Å; F351-L362 HydrophobicContact CZ-CD2 4.48Å
352K97.9Very high97.6Very high125 Ų12566.9 Ų66.954%0.54331%0.306SS..Hα-helixtrans-56.7-43172.2-177.3173.7-178.5177.40111.5Y317 D350 L355 G356Y317-K352 HydrophobicContact CE2-CB 3.91Å; Y317-K352 WeakPolarHBondContact OH-CG 3.3Å; D350-K352 PolarHBondContact O-N 3.44Å; K352-L355 PolarHBondContact O-N 3.08Å; K352-G356 PolarHBondContact O-N 2.84Å
353W98.3Very high97Very high61 Ų6168.3 Ų68.323%0.23132%0.318CS..Hα-helixtrans-62.4-42.1174.5176.787.2000112W269 L270 R349 D350 F351 G356 Q357 V358W269-W353 HydrophobicContact CE3-CH2 4.5Å; W269-W353 WeakPolarHBondContact O-CZ3 3.4Å; L270-W353 HydrophobicContact CD2-CE3 4.04Å; R349-W353 HydrophobicContact CB-CB 4.11Å; R349-W353 HydrophobicContact CB-CD2 4.02Å; R349-W353 HydrophobicContact CB-CE3 3.92Å; R349-W353 HydrophobicContact CB-CG 4.07Å; R349-W353 HydrophobicContact CG-CD2 4.22Å; R349-W353 HydrophobicContact CG-CE3 4.32Å; R349-W353 HydrophobicContact CG-CG 4.43Å; D350-W353 WeakPolarHBondContact O-CB 3.25Å; D350-W353 PolarHBondContact O-N 3.37Å; D350-W353 WeakPolarHBondContact OD1-CB 3.49Å; D350-W353 PolarHBondContact OD1-N 3.18Å; F351-W353 VanDerWaalsContact C-N 3.28Å; F351-W353 PolarHBondContact O-N 3.15Å; W353-G356 PolarHBondContact O-N 2.97Å; W353-Q357 HydrophobicContact CD2-CB 4.38Å; W353-Q357 HydrophobicContact CD2-CG 4.34Å; W353-Q357 HydrophobicContact CG-CG 4.36Å; W353-Q357 HydrophobicContact CZ2-CB 3.95Å; W353-Q357 HydrophobicContact CZ2-CG 4.26Å; W353-Q357 WeakPolarHBondContact O-CB 3.4Å; W353-Q357 PolarHBondContact O-N 2.96Å; W353-V358 HydrophobicContact CH2-CG2 4.01Å; W353-V358 HydrophobicContact CZ3-CG2 3.94Å
354Y98.4Very high96.3Very high0 Ų070.3 Ų70.30%034%0.344CS..Hα-helixtrans-59.4-48.3176.9178-88.3000111.4F201 P230 W269 D350 F351 G356 Q357 V358 F359F201-Y354 HydrophobicContact CE1-CE1 4.33Å; F201-Y354 WeakPolarHBondContact CE1-OH 3.19Å; F201-Y354 AromaticContact CZ-CE1 3.95Å; F201-Y354 HydrophobicContact CZ-CE1 3.95Å; P230-Y354 PolarHBondContact O-OH 3.19Å; W269-Y354 HydrophobicContact CB-CD2 3.68Å; W269-Y354 HydrophobicContact CB-CE2 3.76Å; W269-Y354 AromaticContact CD1-CE2 3.65Å; W269-Y354 HydrophobicContact CG-CD2 4.19Å; W269-Y354 AromaticContact CG-CE2 3.86Å; W269-Y354 HydrophobicContact CG-CE2 3.86Å; D350-Y354 PolarHBondContact O-N 3.1Å; F351-Y354 HydrophobicContact CD2-CD1 4.23Å; F351-Y354 HydrophobicContact CD2-CG 4.35Å; F351-Y354 AromaticContact CE2-CD1 3.57Å; F351-Y354 HydrophobicContact CE2-CD1 3.57Å; F351-Y354 HydrophobicContact CE2-CE1 4.1Å; F351-Y354 HydrophobicContact CE2-CG 4.07Å; F351-Y354 AromaticContact CZ-CD1 3.88Å; F351-Y354 HydrophobicContact CZ-CD1 3.88Å; F351-Y354 HydrophobicContact CZ-CE1 4.28Å; F351-Y354 WeakPolarHBondContact O-CB 3.28Å; F351-Y354 PolarHBondContact O-N 3.08Å; F351-Y354 VanDerWaalsContact O-N 3.08Å; Y354-G356 VanDerWaalsContact C-N 3.33Å; Y354-G356 PolarHBondContact O-N 3.44Å; Y354-Q357 PolarHBondContact O-N 3.45Å; Y354-V358 HydrophobicContact CD2-CB 3.9Å; Y354-V358 HydrophobicContact CD2-CG1 4.07Å; Y354-V358 HydrophobicContact CD2-CG2 4.1Å; Y354-V358 HydrophobicContact CE2-CB 3.97Å; Y354-V358 HydrophobicContact CE2-CG1 3.62Å; Y354-V358 HydrophobicContact CE2-CG2 4.46Å; Y354-V358 HydrophobicContact CG-CB 4.28Å; Y354-V358 WeakPolarHBondContact O-CA 3.35Å; Y354-V358 VanDerWaalsContact O-CB 3.28Å; Y354-V358 WeakPolarHBondContact O-CB 3.21Å; Y354-V358 PolarHBondContact O-N 3.28Å; Y354-F359 HydrophobicContact CD1-CB 4.34Å; Y354-F359 HydrophobicContact CE1-CB 3.7Å; Y354-F359 HydrophobicContact CE1-CD1 4.23Å; Y354-F359 PolarHBondContact O-N 3.29Å
355L97.9Very high95.3Very high5 Ų566.8 Ų66.83%0.02634%0.336CS..Hα-helixtrans-60-42.9175.6-69.8176.7000111.8W203 Y317 F351 K352 F359 P360 L362 A363W203-L355 HydrophobicContact CH2-CD1 4.03Å; W203-L355 HydrophobicContact CH2-CD2 4.21Å; Y317-L355 HydrophobicContact CD1-CD1 3.57Å; Y317-L355 HydrophobicContact CD2-CD1 4.17Å; Y317-L355 HydrophobicContact CE1-CD1 3.42Å; Y317-L355 VanDerWaalsContact CE1-CD1 3.42Å; Y317-L355 HydrophobicContact CE2-CD1 4.07Å; Y317-L355 HydrophobicContact CG-CD1 3.94Å; F351-L355 HydrophobicContact CD1-CD1 3.89Å; F351-L355 HydrophobicContact CD1-CG 3.97Å; F351-L355 HydrophobicContact CE1-CD1 3.87Å; F351-L355 HydrophobicContact CE1-CD2 3.79Å; F351-L355 HydrophobicContact CE1-CG 3.74Å; F351-L355 HydrophobicContact CZ-CD2 4.17Å; F351-L355 HydrophobicContact CZ-CG 4.39Å; F351-L355 PolarHBondContact O-N 3.42Å; K352-L355 PolarHBondContact O-N 3.08Å; L355-F359 CarbonylContact O-C 3.59Å; L355-F359 VanDerWaalsContact O-C 3.24Å; L355-P360 WeakPolarHBondContact O-CA 3.18Å; L355-L362 HydrophobicContact CD2-CB 4.08Å; L355-L362 HydrophobicContact CD2-CD2 3.85Å; L355-L362 HydrophobicContact CD2-CG 4Å; L355-A363 HydrophobicContact CB-CB 4.15Å; L355-A363 HydrophobicContact CD2-CB 4.31Å
356G97.5Very high93.6Very high44 Ų4464.7 Ų64.745%0.45433%0.334SS..Hα-helixtrans-73.8-27-17800000115.3K352 W353 Y354K352-G356 PolarHBondContact O-N 2.84Å; W353-G356 PolarHBondContact O-N 2.97Å; Y354-G356 VanDerWaalsContact C-N 3.33Å; Y354-G356 PolarHBondContact O-N 3.44Å
357Q97.3Very high93.3Very high138 Ų13865.9 Ų65.965%0.64534%0.34SS*.Hα-helixtrans-120.1-21.1-169.5-60.9-62.1-75.300114.7W353 Y354W353-Q357 HydrophobicContact CD2-CB 4.38Å; W353-Q357 HydrophobicContact CD2-CG 4.34Å; W353-Q357 HydrophobicContact CG-CG 4.36Å; W353-Q357 HydrophobicContact CZ2-CB 3.95Å; W353-Q357 HydrophobicContact CZ2-CG 4.26Å; W353-Q357 WeakPolarHBondContact O-CB 3.4Å; W353-Q357 PolarHBondContact O-N 2.96Å; Y354-Q357 PolarHBondContact O-N 3.45Å
358V97.7Very high93.1Very high17 Ų1757.5 Ų57.510%0.10331%0.314CS..THydrogen-bonded Turntrans-116.2-46.8-174.3-178.90000111P230 W269 W353 Y354P230-V358 HydrophobicContact CB-CG1 4.37Å; W269-V358 HydrophobicContact CB-CG2 4.25Å; W269-V358 HydrophobicContact CD2-CB 4.35Å; W269-V358 HydrophobicContact CD2-CG1 3.71Å; W269-V358 HydrophobicContact CD2-CG2 3.65Å; W269-V358 HydrophobicContact CE3-CG1 4.42Å; W269-V358 HydrophobicContact CE3-CG2 3.62Å; W269-V358 HydrophobicContact CG-CB 4.49Å; W269-V358 HydrophobicContact CG-CG1 3.82Å; W269-V358 HydrophobicContact CG-CG2 3.96Å; W269-V358 HydrophobicContact CZ2-CG1 4.17Å; W269-V358 HydrophobicContact CZ3-CG2 4.24Å; W353-V358 HydrophobicContact CH2-CG2 4.01Å; W353-V358 HydrophobicContact CZ3-CG2 3.94Å; Y354-V358 HydrophobicContact CD2-CB 3.9Å; Y354-V358 HydrophobicContact CD2-CG1 4.07Å; Y354-V358 HydrophobicContact CD2-CG2 4.1Å; Y354-V358 HydrophobicContact CE2-CB 3.97Å; Y354-V358 HydrophobicContact CE2-CG1 3.62Å; Y354-V358 HydrophobicContact CE2-CG2 4.46Å; Y354-V358 HydrophobicContact CG-CB 4.28Å; Y354-V358 WeakPolarHBondContact O-CA 3.35Å; Y354-V358 VanDerWaalsContact O-CB 3.28Å; Y354-V358 WeakPolarHBondContact O-CB 3.21Å; Y354-V358 PolarHBondContact O-N 3.28Å
359F97.6Very high92.8Very high7 Ų759.6 Ų59.63%0.03132%0.323CS..  trans-136.563-174.1-159.6-167.5000113.8F201 L210 P230 Y354 L355 E361 L362F201-F359 HydrophobicContact CD1-CE1 4.26Å; F201-F359 HydrophobicContact CE1-CD1 4.25Å; F201-F359 HydrophobicContact CE1-CE1 4.38Å; F201-F359 HydrophobicContact CG-CE1 4.38Å; F201-F359 HydrophobicContact CZ-CD1 4.34Å; F201-F359 WeakPolarHBondContact O-CE1 3.41Å; L210-F359 HydrophobicContact CD1-CE2 3.58Å; L210-F359 HydrophobicContact CD1-CZ 3.86Å; P230-F359 HydrophobicContact CB-CB 3.9Å; P230-F359 HydrophobicContact CB-CD1 3.8Å; P230-F359 HydrophobicContact CB-CD2 4.09Å; P230-F359 HydrophobicContact CB-CE1 4.35Å; P230-F359 HydrophobicContact CB-CG 3.67Å; P230-F359 HydrophobicContact CG-CB 4.06Å; P230-F359 HydrophobicContact CG-CD1 4.32Å; P230-F359 HydrophobicContact CG-CD2 3.68Å; P230-F359 HydrophobicContact CG-CE2 4.21Å; P230-F359 HydrophobicContact CG-CG 3.76Å; Y354-F359 HydrophobicContact CD1-CB 4.34Å; Y354-F359 HydrophobicContact CE1-CB 3.7Å; Y354-F359 HydrophobicContact CE1-CD1 4.23Å; Y354-F359 PolarHBondContact O-N 3.29Å; L355-F359 CarbonylContact O-C 3.59Å; L355-F359 VanDerWaalsContact O-C 3.24Å; F359-E361 HydrophobicContact CD2-CB 4.15Å; F359-E361 WeakPolarHBondContact CD2-OE2 3.46Å; F359-E361 HydrophobicContact CE2-CB 3.93Å; F359-E361 PolarHBondContact O-N 3.25Å; F359-L362 HydrophobicContact CD1-CB 3.56Å; F359-L362 HydrophobicContact CD1-CD2 3.86Å; F359-L362 HydrophobicContact CD1-CG 4.33Å; F359-L362 HydrophobicContact CD2-CB 4.2Å; F359-L362 HydrophobicContact CE1-CB 3.64Å; F359-L362 HydrophobicContact CE1-CD2 4.02Å; F359-L362 HydrophobicContact CE1-CG 4.3Å; F359-L362 HydrophobicContact CE2-CB 4.28Å; F359-L362 HydrophobicContact CG-CB 3.84Å; F359-L362 HydrophobicContact CZ-CB 4Å; F359-L362 PolarHBondContact O-N 3.47Å
360P96.2Very high92.5Very high66 Ų6655.5 Ų55.543%0.42931%0.314SS..Hα-helixtrans-62.9-25.9179.326-35.2000113.3L355 L362 A363 A364L355-P360 WeakPolarHBondContact O-CA 3.18Å; P360-L362 VanDerWaalsContact C-N 3.26Å; P360-L362 PolarHBondContact O-N 3.06Å; P360-A363 WeakPolarHBondContact O-CB 3.48Å; P360-A363 PolarHBondContact O-N 3.38Å; P360-A364 PolarHBondContact O-N 2.83Å; P360-A364 VanDerWaalsContact O-N 3.08Å
361E93.8Very high92.1Very high82 Ų8254.3 Ų54.338%0.38331%0.309SS..Hα-helixtrans-64.7-30177.5-55.394.6140.400112.4R198 F359R198-E361 IonicContact CZ-OE1 2.74Å; R198-E361 IonicContact NH1-OE1 3.08Å; R198-E361 PolarHBondContact NH1-OE1 2.97Å; R198-E361 VanDerWaalsContact NH1-OE1 3.11Å; R198-E361 IonicContact NH2-OE1 3.58Å; R198-E361 PolarHBondContact NH2-OE1 3.14Å; F359-E361 HydrophobicContact CD2-CB 4.15Å; F359-E361 WeakPolarHBondContact CD2-OE2 3.46Å; F359-E361 HydrophobicContact CE2-CB 3.93Å; F359-E361 PolarHBondContact O-N 3.25Å
362L94.8Very high91.7Very high3 Ų357.9 Ų57.92%0.01633%0.329CS..Hα-helixtrans-70.1-41.6173.2178.561.3000111.3F201 W203 F351 L355 F359 P360 A364 S365F201-L362 HydrophobicContact CD2-CD2 3.96Å; F201-L362 HydrophobicContact CE2-CD2 3.39Å; F201-L362 HydrophobicContact CZ-CD2 4Å; W203-L362 HydrophobicContact CD2-CD1 3.94Å; W203-L362 HydrophobicContact CD2-CG 4.38Å; W203-L362 HydrophobicContact CG-CD1 4.12Å; W203-L362 HydrophobicContact CH2-CD2 4.42Å; W203-L362 HydrophobicContact CH2-CG 4.25Å; W203-L362 HydrophobicContact CZ2-CD1 4.2Å; W203-L362 HydrophobicContact CZ2-CD2 4.48Å; W203-L362 HydrophobicContact CZ2-CG 3.84Å; W203-L362 PolarHBondContact NE1-O 3.24Å; F351-L362 HydrophobicContact CZ-CD2 4.48Å; L355-L362 HydrophobicContact CD2-CB 4.08Å; L355-L362 HydrophobicContact CD2-CD2 3.85Å; L355-L362 HydrophobicContact CD2-CG 4Å; F359-L362 HydrophobicContact CD1-CB 3.56Å; F359-L362 HydrophobicContact CD1-CD2 3.86Å; F359-L362 HydrophobicContact CD1-CG 4.33Å; F359-L362 HydrophobicContact CD2-CB 4.2Å; F359-L362 HydrophobicContact CE1-CB 3.64Å; F359-L362 HydrophobicContact CE1-CD2 4.02Å; F359-L362 HydrophobicContact CE1-CG 4.3Å; F359-L362 HydrophobicContact CE2-CB 4.28Å; F359-L362 HydrophobicContact CG-CB 3.84Å; F359-L362 HydrophobicContact CZ-CB 4Å; F359-L362 PolarHBondContact O-N 3.47Å; P360-L362 VanDerWaalsContact C-N 3.26Å; P360-L362 PolarHBondContact O-N 3.06Å; L362-A364 VanDerWaalsContact C-N 3.26Å; L362-A364 PolarHBondContact O-N 3.32Å; L362-S365 WeakPolarHBondContact O-CB 3.1Å; L362-S365 PolarHBondContact O-N 3.5Å; L362-S365 PolarHBondContact O-OG 3.26Å
363A86.6Confident91.2Very high35 Ų3553.1 Ų53.129%0.28931%0.314SS..Hα-helixtrans-62.3-35.6177.100000112.1L355 P360 S365 E366L355-A363 HydrophobicContact CB-CB 4.15Å; L355-A363 HydrophobicContact CD2-CB 4.31Å; P360-A363 WeakPolarHBondContact O-CB 3.48Å; P360-A363 PolarHBondContact O-N 3.38Å; A363-S365 PolarHBondContact O-N 3.45Å; A363-E366 PolarHBondContact O-N 2.65Å
364A83.1Confident90.7Very high85 Ų8552.5 Ų52.570%0.70232%0.32SS*.THydrogen-bonded Turntrans-71.2-7.1176.300000114.2P360 L362P360-A364 PolarHBondContact O-N 2.83Å; P360-A364 VanDerWaalsContact O-N 3.08Å; L362-A364 VanDerWaalsContact C-N 3.26Å; L362-A364 PolarHBondContact O-N 3.32Å
365S77.9Confident90.1Very high63 Ų6356.9 Ų56.944%0.44135%0.347SS..THydrogen-bonded Turntrans-99-0.2176.874.50000114.1W203 L362 A363W203-S365 PolarHBondContact NE1-OG 3.48Å; L362-S365 WeakPolarHBondContact O-CB 3.1Å; L362-S365 PolarHBondContact O-N 3.5Å; L362-S365 PolarHBondContact O-OG 3.26Å; A363-S365 PolarHBondContact O-N 3.45Å
366E60.5Low89.4Confident138 Ų13861.6 Ų61.665%0.64538%0.376SS*.  trans-66.70162.4-61.8-172.7173.200111W203 Y317 N320 A363W203-E366 HydrophobicContact CH2-CG 4.35Å; W203-E366 VanDerWaalsContact CH2-OE1 3.28Å; W203-E366 WeakPolarHBondContact CH2-OE1 3.33Å; W203-E366 HydrophobicContact CZ2-CG 3.36Å; W203-E366 WeakPolarHBondContact CZ2-OE1 3.39Å; Y317-E366 WeakPolarHBondContact CD1-OE1 3.03Å; Y317-E366 WeakPolarHBondContact CE1-OE1 3.36Å; N320-E366 VanDerWaalsContact ND2-CD 3.34Å; N320-E366 PolarHBondContact ND2-OE1 3.12Å; A363-E366 PolarHBondContact O-N 2.65Å

Retrieved 366 of 366 residues in 1427.6 ms (Link to these results)

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