A0A3Q0KTX5_SCHMA Loading...

E2 ubiquitin-conjugating enzyme AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KTX5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 206 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
1M40.2Very low69Low230 Ų230120 Ų120100%1.13361%0.613SS**  0102.50-84.3-177.5-87.300106.5N3M1-N3 PolarHBondContact O-N 2.82Å
2E43.9Very low70.7Confident193 Ų193110.3 Ų110.390%0.90256%0.564SS**  trans-72.8105.4-176.6-159.9167.5-159.300107.7A4E2-A4 PolarHBondContact O-N 2.99Å
3N48.4Very low72Confident155 Ų155111.4 Ų111.483%0.82956%0.558SS**  trans-71.277.5177.4-75.1-27.1000108.8M1 V5M1-N3 PolarHBondContact O-N 2.82Å; N3-V5 PolarHBondContact O-N 3.4Å
4A59Low73.4Confident84 Ų84111.1 Ų111.169%0.69455%0.552SS**  trans-66.9106.3169.400000107.7E2 P6E2-A4 PolarHBondContact O-N 2.99Å; A4-P6 WeakPolarHBondContact O-CD 3.42Å
5V65.5Low74.7Confident86 Ų86105.1 Ų105.152%0.52152%0.521SS..  trans-53.4123170.2178.90000107.4N3 E7 A9 R10N3-V5 PolarHBondContact O-N 3.4Å; V5-E7 PolarHBondContact O-N 3.27Å; V5-A9 HydrophobicContact CG1-CB 3.59Å; V5-R10 HydrophobicContact CB-CG 4.14Å; V5-R10 HydrophobicContact CG1-CG 3.94Å
6P77.5Confident75.7Confident87 Ų87101.8 Ų101.857%0.56550%0.501SS*.  trans-51.7143.2-178.5-28.134.7000111.4A4 F8 A9 R10A4-P6 WeakPolarHBondContact O-CD 3.42Å; P6-F8 PolarHBondContact O-N 3.21Å; P6-F8 VanDerWaalsContact O-N 3.11Å; P6-A9 PolarHBondContact O-N 3.49Å; P6-R10 PolarHBondContact O-N 3.27Å; P6-R10 VanDerWaalsContact O-N 3.08Å
7E82.3Confident76.7Confident165 Ų165103.6 Ų103.677%0.77150%0.501SS*.Hα-helixtrans-51.2-39.9-179.2-177.4178.2-179.600112.1V5 A9 R10 R11V5-E7 PolarHBondContact O-N 3.27Å; E7-A9 PolarHBondContact O-N 3.25Å; E7-R10 PolarHBondContact O-N 3.41Å; E7-R11 WeakPolarHBondContact O-CB 3.43Å; E7-R11 PolarHBondContact O-N 3.43Å
8F83.3Confident77.6Confident51 Ų51100.9 Ų100.922%0.22449%0.49CS..Hα-helixtrans-50.4-53.3170.7169.6-96.7000113.2P6 R10 R11 L12 T37 I62 Y66P6-F8 PolarHBondContact O-N 3.21Å; P6-F8 VanDerWaalsContact O-N 3.11Å; F8-R10 PolarHBondContact O-N 3.42Å; F8-R11 PolarHBondContact O-N 2.99Å; F8-L12 HydrophobicContact CD1-CD1 4.14Å; F8-L12 HydrophobicContact CD2-CD1 4.38Å; F8-L12 HydrophobicContact CE1-CD1 3.46Å; F8-L12 VanDerWaalsContact CE1-CD1 3.46Å; F8-L12 HydrophobicContact CE2-CD1 3.76Å; F8-L12 HydrophobicContact CE2-CG 4.37Å; F8-L12 HydrophobicContact CZ-CD1 3.26Å; F8-L12 HydrophobicContact CZ-CG 4.3Å; F8-L12 PolarHBondContact O-N 2.63Å; F8-T37 HydrophobicContact CE1-CG2 3.94Å; F8-T37 HydrophobicContact CZ-CG2 4Å; F8-I62 HydrophobicContact CE2-CB 4.34Å; F8-I62 HydrophobicContact CE2-CG2 3.52Å; F8-I62 HydrophobicContact CZ-CB 4.14Å; F8-I62 HydrophobicContact CZ-CG2 3.8Å; F8-Y66 HydrophobicContact CD2-CD1 4.45Å; F8-Y66 HydrophobicContact CE2-CD1 4.37Å
9A82.3Confident78.4Confident21 Ų2196.1 Ų96.117%0.17447%0.466CS..Hα-helixtrans-67.7-37.8-177.800000111.4V5 P6 E7 R11 Y13V5-A9 HydrophobicContact CG1-CB 3.59Å; P6-A9 PolarHBondContact O-N 3.49Å; E7-A9 PolarHBondContact O-N 3.25Å; A9-R11 PolarHBondContact O-N 3.4Å; A9-Y13 VanDerWaalsContact O-CB 3.28Å; A9-Y13 WeakPolarHBondContact O-CB 3.49Å; A9-Y13 PolarHBondContact O-N 2.91Å
10R86.6Confident79Confident174 Ų17494.6 Ų94.666%0.65746%0.463SS*.Hα-helixtrans-60.7-43.5172.5-76.8176.446.5-168.9-9.9112.1V5 P6 E7 F8 K14V5-R10 HydrophobicContact CB-CG 4.14Å; V5-R10 HydrophobicContact CG1-CG 3.94Å; P6-R10 PolarHBondContact O-N 3.27Å; P6-R10 VanDerWaalsContact O-N 3.08Å; E7-R10 PolarHBondContact O-N 3.41Å; F8-R10 PolarHBondContact O-N 3.42Å; R10-K14 WeakPolarHBondContact O-CB 3.18Å; R10-K14 PolarHBondContact O-N 3.28Å
11R90.1Very high79.7Confident74 Ų7493.7 Ų93.728%0.27947%0.471SS..Hα-helixtrans-63.5-50.7179176.467.5-169.7-98.2-13.2110.8E7 F8 A9 Y13 K14 E15 Y66 S102 L104E7-R11 WeakPolarHBondContact O-CB 3.43Å; E7-R11 PolarHBondContact O-N 3.43Å; F8-R11 PolarHBondContact O-N 2.99Å; A9-R11 PolarHBondContact O-N 3.4Å; R11-Y13 PolarHBondContact O-N 3.07Å; R11-K14 WeakPolarHBondContact O-CB 3.22Å; R11-K14 PolarHBondContact O-N 3.22Å; R11-E15 IonicContact CZ-OE1 2.63Å; R11-E15 IonicContact NE-OE1 3.15Å; R11-E15 PolarHBondContact NE-OE1 3.02Å; R11-E15 IonicContact NH2-OE1 2.66Å; R11-E15 PolarHBondContact NH2-OE1 3.2Å; R11-E15 WeakPolarHBondContact O-CG 3.45Å; R11-E15 PolarHBondContact O-N 3.19Å; R11-Y66 HydrophobicContact CG-CE1 4.23Å; R11-S102 PolarHBondContact NH1-O 3.01Å; R11-L104 PolarHBondContact NH2-O 3.28Å
12L88.9Confident82.3Confident3 Ų389.3 Ų89.32%0.01645%0.448CS..Hα-helixtrans-61.2-44.7178.8-74.6179.4000112.6F8 K14 E15 W16 M36 I62 Y66F8-L12 HydrophobicContact CD1-CD1 4.14Å; F8-L12 HydrophobicContact CD2-CD1 4.38Å; F8-L12 HydrophobicContact CE1-CD1 3.46Å; F8-L12 VanDerWaalsContact CE1-CD1 3.46Å; F8-L12 HydrophobicContact CE2-CD1 3.76Å; F8-L12 HydrophobicContact CE2-CG 4.37Å; F8-L12 HydrophobicContact CZ-CD1 3.26Å; F8-L12 HydrophobicContact CZ-CG 4.3Å; F8-L12 PolarHBondContact O-N 2.63Å; L12-K14 VanDerWaalsContact C-N 3.31Å; L12-K14 PolarHBondContact O-N 3.37Å; L12-E15 PolarHBondContact O-N 3.02Å; L12-W16 WeakPolarHBondContact O-CB 3.39Å; L12-W16 PolarHBondContact O-N 3.08Å; L12-M36 HydrophobicContact CB-CE 4.08Å; L12-M36 HydrophobicContact CD1-CB 4.22Å; L12-M36 WeakPolarHBondContact CD1-O 3.32Å; L12-I62 HydrophobicContact CD1-CB 4.43Å; L12-I62 HydrophobicContact CD1-CG1 4.18Å; L12-I62 HydrophobicContact CD1-CG2 4.16Å; L12-I62 HydrophobicContact CD2-CD1 4.36Å; L12-I62 HydrophobicContact CD2-CG1 4.11Å; L12-I62 HydrophobicContact CD2-CG2 4.03Å; L12-Y66 HydrophobicContact CD2-CD1 4.06Å; L12-Y66 HydrophobicContact CD2-CE1 3.72Å; L12-Y66 HydrophobicContact CG-CE1 4.47Å
13Y88.1Confident84.7Confident125 Ų12584.6 Ų84.649%0.4943%0.433SS..Hα-helixtrans-62-40.6177.6-174-98.4000111.8A9 R11 W16 R17 M36A9-Y13 VanDerWaalsContact O-CB 3.28Å; A9-Y13 WeakPolarHBondContact O-CB 3.49Å; A9-Y13 PolarHBondContact O-N 2.91Å; R11-Y13 PolarHBondContact O-N 3.07Å; Y13-W16 HydrophobicContact CD2-CE3 4.16Å; Y13-W16 HydrophobicContact CD2-CZ3 4.45Å; Y13-W16 AromaticContact CE2-CE3 3.95Å; Y13-W16 HydrophobicContact CE2-CE3 3.95Å; Y13-W16 AromaticContact CE2-CZ3 3.78Å; Y13-W16 HydrophobicContact CE2-CZ3 3.78Å; Y13-W16 PolarHBondContact O-N 3.4Å; Y13-R17 VanDerWaalsContact O-CB 3.31Å; Y13-R17 WeakPolarHBondContact O-CB 3.43Å; Y13-R17 PolarHBondContact O-N 3.24Å; Y13-M36 HydrophobicContact CD2-CE 4.37Å
14K92Very high87Confident108 Ų10878.2 Ų78.247%0.4740%0.399SS..Hα-helixtrans-60.7-48.5173.4-176.9-174.2179.1-62.80111.2R10 R11 L12 W16 R17 D18R10-K14 WeakPolarHBondContact O-CB 3.18Å; R10-K14 PolarHBondContact O-N 3.28Å; R11-K14 WeakPolarHBondContact O-CB 3.22Å; R11-K14 PolarHBondContact O-N 3.22Å; L12-K14 VanDerWaalsContact C-N 3.31Å; L12-K14 PolarHBondContact O-N 3.37Å; K14-W16 PolarHBondContact O-N 3.04Å; K14-R17 PolarHBondContact O-N 2.95Å; K14-D18 IonicContact NZ-OD2 2.69Å; K14-D18 PolarHBondContact NZ-OD2 3.19Å; K14-D18 WeakPolarHBondContact O-CB 3.44Å; K14-D18 PolarHBondContact O-N 2.96Å
15E92.8Very high88.7Confident20 Ų2081.7 Ų81.79%0.09340%0.401CS..Hα-helixtrans-63-40.8179.7-73.3-173.3-148.900113R11 L12 D18 F19 Y66 G105 L106R11-E15 IonicContact CZ-OE1 2.63Å; R11-E15 IonicContact NE-OE1 3.15Å; R11-E15 PolarHBondContact NE-OE1 3.02Å; R11-E15 IonicContact NH2-OE1 2.66Å; R11-E15 PolarHBondContact NH2-OE1 3.2Å; R11-E15 WeakPolarHBondContact O-CG 3.45Å; R11-E15 PolarHBondContact O-N 3.19Å; L12-E15 PolarHBondContact O-N 3.02Å; E15-D18 PolarHBondContact O-N 3.41Å; E15-F19 WeakPolarHBondContact O-CB 3.49Å; E15-F19 PolarHBondContact O-N 3.44Å; E15-Y66 PolarHBondContact OE1-OH 2.85Å; E15-Y66 PolarHBondContact OE2-OH 2.92Å; E15-G105 WeakPolarHBondContact OE2-CA 3.45Å; E15-L106 WeakPolarHBondContact OE2-CG 3.28Å; E15-L106 PolarHBondContact OE2-N 2.95Å
16W90.5Very high90.1Very high53 Ų5378.4 Ų78.420%0.20138%0.384CS..Hα-helixtrans-61.8-47.1173.5171.480.3000111.3L12 Y13 K14 D18 F19 T20 L31L12-W16 WeakPolarHBondContact O-CB 3.39Å; L12-W16 PolarHBondContact O-N 3.08Å; Y13-W16 HydrophobicContact CD2-CE3 4.16Å; Y13-W16 HydrophobicContact CD2-CZ3 4.45Å; Y13-W16 AromaticContact CE2-CE3 3.95Å; Y13-W16 HydrophobicContact CE2-CE3 3.95Å; Y13-W16 AromaticContact CE2-CZ3 3.78Å; Y13-W16 HydrophobicContact CE2-CZ3 3.78Å; Y13-W16 PolarHBondContact O-N 3.4Å; K14-W16 PolarHBondContact O-N 3.04Å; W16-D18 VanDerWaalsContact C-N 3.32Å; W16-D18 PolarHBondContact O-N 3.12Å; W16-F19 WeakPolarHBondContact O-CB 3.45Å; W16-F19 PolarHBondContact O-N 3.07Å; W16-F19 VanDerWaalsContact O-N 3.12Å; W16-T20 HydrophobicContact CD2-CG2 4.22Å; W16-T20 HydrophobicContact CZ2-CG2 3.94Å; W16-T20 WeakPolarHBondContact O-CG2 2.9Å; W16-T20 PolarHBondContact O-N 3.04Å; W16-T20 PolarHBondContact O-OG1 3.48Å; W16-L31 HydrophobicContact CB-CD2 4.06Å; W16-L31 HydrophobicContact CD2-CB 4.47Å; W16-L31 HydrophobicContact CD2-CD2 3.55Å; W16-L31 HydrophobicContact CE3-CD2 4.08Å; W16-L31 HydrophobicContact CG-CB 4.22Å; W16-L31 HydrophobicContact CG-CD2 3.51Å; W16-L31 HydrophobicContact CG-CG 4.39Å
17R91.9Very high91.1Very high133 Ų13374.7 Ų74.750%0.50236%0.36SS..Hα-helixtrans-61.5-40.9177.7-171.2-170.269166.33.6112Y13 K14 F19 T20 A21Y13-R17 VanDerWaalsContact O-CB 3.31Å; Y13-R17 WeakPolarHBondContact O-CB 3.43Å; Y13-R17 PolarHBondContact O-N 3.24Å; K14-R17 PolarHBondContact O-N 2.95Å; R17-F19 VanDerWaalsContact C-N 3.3Å; R17-T20 WeakPolarHBondContact CA-OG1 3.47Å; R17-T20 PolarHBondContact O-N 2.96Å; R17-T20 PolarHBondContact O-OG1 3.18Å; R17-A21 WeakPolarHBondContact O-CB 3.34Å; R17-A21 PolarHBondContact O-N 3.33Å
18D93.5Very high91.7Very high55 Ų5572.3 Ų72.329%0.29435%0.348SS..Hα-helixtrans-69.7-30.8177.5-63.2-10.3000110.9K14 E15 W16 E22 R107K14-D18 IonicContact NZ-OD2 2.69Å; K14-D18 PolarHBondContact NZ-OD2 3.19Å; K14-D18 WeakPolarHBondContact O-CB 3.44Å; K14-D18 PolarHBondContact O-N 2.96Å; E15-D18 PolarHBondContact O-N 3.41Å; W16-D18 VanDerWaalsContact C-N 3.32Å; W16-D18 PolarHBondContact O-N 3.12Å; D18-E22 PolarHBondContact O-N 3.36Å; D18-R107 PolarHBondContact O-NH2 3.41Å
19F92.9Very high92.2Very high8 Ų870.7 Ų70.74%0.03534%0.342CS..Hα-helixtrans-69.9-43.7172-169.5-79.7000112E15 W16 R17 A21 E22 P23 I24 I27 L29 L110E15-F19 WeakPolarHBondContact O-CB 3.49Å; E15-F19 PolarHBondContact O-N 3.44Å; W16-F19 WeakPolarHBondContact O-CB 3.45Å; W16-F19 PolarHBondContact O-N 3.07Å; W16-F19 VanDerWaalsContact O-N 3.12Å; R17-F19 VanDerWaalsContact C-N 3.3Å; F19-A21 VanDerWaalsContact C-N 3.34Å; F19-E22 CarbonylContact O-C 3.53Å; F19-E22 PolarHBondContact O-N 3.25Å; F19-P23 VanDerWaalsContact O-CA 3.3Å; F19-P23 WeakPolarHBondContact O-CA 3.45Å; F19-P23 VanDerWaalsContact O-N 3.12Å; F19-I24 HydrophobicContact CD2-CD1 4.43Å; F19-I24 HydrophobicContact CE2-CD1 3.56Å; F19-I24 HydrophobicContact CE2-CG1 3.88Å; F19-I24 HydrophobicContact CZ-CB 4.31Å; F19-I24 HydrophobicContact CZ-CD1 4.16Å; F19-I24 HydrophobicContact CZ-CG1 4.13Å; F19-I27 HydrophobicContact CZ-CB 4.16Å; F19-I27 HydrophobicContact CZ-CG2 3.85Å; F19-L29 HydrophobicContact CB-CD2 3.99Å; F19-L29 HydrophobicContact CD1-CB 3.66Å; F19-L29 HydrophobicContact CD1-CD2 3.85Å; F19-L29 HydrophobicContact CD1-CG 4.4Å; F19-L29 HydrophobicContact CD2-CD2 4.33Å; F19-L29 HydrophobicContact CE1-CB 3.6Å; F19-L29 HydrophobicContact CE1-CD2 4.46Å; F19-L29 HydrophobicContact CG-CB 4.42Å; F19-L29 HydrophobicContact CG-CD2 3.79Å; F19-L29 HydrophobicContact CZ-CB 4.3Å; F19-L110 HydrophobicContact CD2-CD1 4.06Å; F19-L110 HydrophobicContact CE2-CD1 3.46Å; F19-L110 VanDerWaalsContact CE2-CD1 3.46Å; F19-L110 HydrophobicContact CZ-CD1 4.02Å
20T90.4Very high92.6Very high67 Ų6773.3 Ų73.341%0.41135%0.352SS..Hα-helixtrans-70.8-30.9-179.753.90000112.6W16 R17W16-T20 HydrophobicContact CD2-CG2 4.22Å; W16-T20 HydrophobicContact CZ2-CG2 3.94Å; W16-T20 WeakPolarHBondContact O-CG2 2.9Å; W16-T20 PolarHBondContact O-N 3.04Å; W16-T20 PolarHBondContact O-OG1 3.48Å; R17-T20 WeakPolarHBondContact CA-OG1 3.47Å; R17-T20 PolarHBondContact O-N 2.96Å; R17-T20 PolarHBondContact O-OG1 3.18Å
21A94.5Very high92.6Very high76 Ų7666.4 Ų66.463%0.62833%0.328SS*.Hα-helixtrans-67.7-37.3172.400000112.6R17 F19R17-A21 WeakPolarHBondContact O-CB 3.34Å; R17-A21 PolarHBondContact O-N 3.33Å; F19-A21 VanDerWaalsContact C-N 3.34Å
22E94.8Very high92.2Very high138 Ų13866.2 Ų66.265%0.64533%0.333SS*.SBendtrans-128.574.5179.9-68.5-178.5-169.400110.9D18 F19 R107D18-E22 PolarHBondContact O-N 3.36Å; F19-E22 CarbonylContact O-C 3.53Å; F19-E22 PolarHBondContact O-N 3.25Å; E22-R107 PolarHBondContact O-NH1 3.19Å; E22-R107 VanDerWaalsContact O-NH1 3.09Å; E22-R107 PolarHBondContact O-NH2 2.99Å
23P94.2Very high91.8Very high93 Ų9373.8 Ų73.860%0.60437%0.368SS*.PPolyproline II helixtrans-65.3150.4-17527.1-34.8000111.7F19F19-P23 VanDerWaalsContact O-CA 3.3Å; F19-P23 WeakPolarHBondContact O-CA 3.45Å; F19-P23 VanDerWaalsContact O-N 3.12Å
24I95.1Very high91.6Very high21 Ų2176.6 Ų76.611%0.10839%0.386CS..PPolyproline II helixtrans-93.1127.9173.4-53.7172000108F19 G26 I27 R107 L111F19-I24 HydrophobicContact CD2-CD1 4.43Å; F19-I24 HydrophobicContact CE2-CD1 3.56Å; F19-I24 HydrophobicContact CE2-CG1 3.88Å; F19-I24 HydrophobicContact CZ-CB 4.31Å; F19-I24 HydrophobicContact CZ-CD1 4.16Å; F19-I24 HydrophobicContact CZ-CG1 4.13Å; I24-G26 PolarHBondContact O-N 3.24Å; I24-I27 HydrophobicContact CB-CB 4.21Å; I24-I27 HydrophobicContact CB-CD1 4.03Å; I24-I27 HydrophobicContact CB-CG1 4.27Å; I24-I27 HydrophobicContact CD1-CD1 4.11Å; I24-I27 HydrophobicContact CG2-CD1 3.72Å; I24-I27 HydrophobicContact CG2-CG1 4.1Å; I24-I27 PolarHBondContact O-N 3.16Å; I24-R107 HydrophobicContact CD1-CG 4.02Å; I24-R107 VanDerWaalsContact CG1-NH1 3.27Å; I24-L111 HydrophobicContact CD1-CD1 4.43Å; I24-L111 HydrophobicContact CD1-CD2 3.91Å; I24-L111 HydrophobicContact CD1-CG 3.93Å; I24-L111 HydrophobicContact CG2-CD2 4.11Å
25E95.2Very high91.3Very high158 Ų15874.5 Ų74.574%0.73838%0.38SS*.THydrogen-bonded Turntrans-54129.7176-174.6-176.2-17800110.9I27 R114E25-I27 VanDerWaalsContact C-N 3.31Å; E25-I27 PolarHBondContact O-N 3.37Å; E25-R114 PolarHBondContact O-NH1 2.85Å
26G96.1Very high90.9Very high16 Ų1675.2 Ų75.217%0.16538%0.383CS..THydrogen-bonded Turntrans76.112.3-17900000114.9I24 F43 D44I24-G26 PolarHBondContact O-N 3.24Å; G26-F43 CarbonylContact O-C 3.54Å; G26-F43 WeakPolarHBondContact O-CA 3.33Å; G26-D44 WeakPolarHBondContact CA-OD2 3.44Å; G26-D44 PolarHBondContact O-N 2.86Å
27I97.1Very high90.8Very high10 Ų1075.5 Ų75.55%0.05139%0.391CS..EExtended strand (participates in β ladder)trans-131.8115.4174.3-49.7-179.7000109.5F19 I24 E25 V41 V42 F43 L110F19-I27 HydrophobicContact CZ-CB 4.16Å; F19-I27 HydrophobicContact CZ-CG2 3.85Å; I24-I27 HydrophobicContact CB-CB 4.21Å; I24-I27 HydrophobicContact CB-CD1 4.03Å; I24-I27 HydrophobicContact CB-CG1 4.27Å; I24-I27 HydrophobicContact CD1-CD1 4.11Å; I24-I27 HydrophobicContact CG2-CD1 3.72Å; I24-I27 HydrophobicContact CG2-CG1 4.1Å; I24-I27 PolarHBondContact O-N 3.16Å; E25-I27 VanDerWaalsContact C-N 3.31Å; E25-I27 PolarHBondContact O-N 3.37Å; I27-V41 HydrophobicContact CG2-CG1 3.83Å; I27-V42 WeakPolarHBondContact CA-O 2.94Å; I27-F43 HydrophobicContact CB-CE1 4.44Å; I27-F43 HydrophobicContact CD1-CD1 4.04Å; I27-F43 HydrophobicContact CD1-CE1 3.37Å; I27-F43 HydrophobicContact CD1-CZ 4.15Å; I27-F43 HydrophobicContact CG1-CD1 3.7Å; I27-F43 HydrophobicContact CG1-CE1 3.55Å; I27-F43 HydrophobicContact CG1-CZ 4.47Å; I27-F43 HydrophobicContact CG2-CD1 4.46Å; I27-F43 HydrophobicContact CG2-CE1 4.12Å; I27-F43 HydrophobicContact CG2-CZ 4.26Å; I27-L110 HydrophobicContact CD1-CB 4.25Å; I27-L110 HydrophobicContact CG2-CD1 4.27Å; I27-L110 HydrophobicContact CG2-CD2 4.29Å
28Q95.3Very high90.9Very high114 Ų11471.9 Ų71.953%0.53338%0.38SS..EExtended strand (participates in β ladder)trans-103.9124.2173.6-175-178.7-3.500109.8I30 V41 V42Q28-I30 HydrophobicContact CG-CG1 4.26Å; Q28-V41 CarbonylContact O-C 3.48Å; Q28-V41 VanDerWaalsContact O-CA 3.29Å; Q28-V41 WeakPolarHBondContact O-CA 3.19Å; Q28-V42 HydrophobicContact CB-CB 4.2Å; Q28-V42 PolarHBondContact N-O 3.43Å; Q28-V42 PolarHBondContact O-N 2.89Å
29L94Very high90.9Very high17 Ų1769.3 Ų69.39%0.08937%0.366CS..EExtended strand (participates in β ladder)trans-100.5127.4176.1-163.665.7000110F19 V39 V41 M60 L106 L110F19-L29 HydrophobicContact CB-CD2 3.99Å; F19-L29 HydrophobicContact CD1-CB 3.66Å; F19-L29 HydrophobicContact CD1-CD2 3.85Å; F19-L29 HydrophobicContact CD1-CG 4.4Å; F19-L29 HydrophobicContact CD2-CD2 4.33Å; F19-L29 HydrophobicContact CE1-CB 3.6Å; F19-L29 HydrophobicContact CE1-CD2 4.46Å; F19-L29 HydrophobicContact CG-CB 4.42Å; F19-L29 HydrophobicContact CG-CD2 3.79Å; F19-L29 HydrophobicContact CZ-CB 4.3Å; L29-V39 HydrophobicContact CD1-CG1 3.3Å; L29-V39 HydrophobicContact CD2-CG1 4.45Å; L29-V39 HydrophobicContact CG-CG1 3.82Å; L29-V41 HydrophobicContact CD1-CG2 3.83Å; L29-M60 HydrophobicContact CD1-CE 4.06Å; L29-L106 HydrophobicContact CD2-CD1 4.37Å; L29-L110 HydrophobicContact CD1-CD1 4.03Å
30I91.7Very high91Very high76 Ų7671.6 Ų71.639%0.3938%0.377SS..EExtended strand (participates in β ladder)trans-122.5112.9-179.4-55.9168.1000107.2Q28 Q40 V42Q28-I30 HydrophobicContact CG-CG1 4.26Å; I30-Q40 HydrophobicContact CB-CB 3.97Å; I30-Q40 HydrophobicContact CG2-CB 4.41Å; I30-Q40 PolarHBondContact N-O 3.36Å; I30-Q40 PolarHBondContact O-N 3.22Å; I30-Q40 VanDerWaalsContact O-O 3.09Å; I30-V42 HydrophobicContact CD1-CG2 4.2Å
31L84.8Confident91.3Very high29 Ų2968.5 Ų68.515%0.15236%0.358CS..EExtended strand (participates in β ladder)trans-98136-179.1-176.867.4000109.8W16 M36 V39W16-L31 HydrophobicContact CB-CD2 4.06Å; W16-L31 HydrophobicContact CD2-CB 4.47Å; W16-L31 HydrophobicContact CD2-CD2 3.55Å; W16-L31 HydrophobicContact CE3-CD2 4.08Å; W16-L31 HydrophobicContact CG-CB 4.22Å; W16-L31 HydrophobicContact CG-CD2 3.51Å; W16-L31 HydrophobicContact CG-CG 4.39Å; L31-M36 HydrophobicContact CD1-CE 3.77Å; L31-M36 HydrophobicContact CD1-SD 3.64Å; L31-M36 HydrophobicContact CD2-CE 3.51Å; L31-M36 HydrophobicContact CD2-SD 3.5Å; L31-M36 VanDerWaalsContact CD2-SD 3.5Å; L31-M36 HydrophobicContact CG-CE 4.11Å; L31-M36 HydrophobicContact CG-SD 3.7Å; L31-V39 HydrophobicContact CD1-CG2 4.1Å
32N83.4Confident91.5Very high70 Ų7065.4 Ų65.437%0.37433%0.331SS..  trans-89.9111.1166.5-177.5-0.4000109Q34 D35 M36N32-Q34 PolarHBondContact O-N 3.3Å; N32-Q34 WeakPolarHBondContact OD1-CB 3.44Å; N32-Q34 PolarHBondContact OD1-N 3.27Å; N32-D35 CarbonylContact O-C 3.13Å; N32-D35 PolarHBondContact O-N 3.06Å; N32-D35 VanDerWaalsContact O-N 3.14Å; N32-D35 VanDerWaalsContact O-O 3.1Å; N32-M36 PolarHBondContact O-N 3.36Å
33E78.8Confident91.6Very high163 Ų16358.9 Ų58.976%0.76230%0.301SS*.THydrogen-bonded Turntrans-64.4-20.8179.4-63.2-176.9176.900113.1
34Q83.9Confident91.8Very high184 Ų18457.3 Ų57.386%0.8629%0.288SS*.THydrogen-bonded Turntrans-83.3-26.3176.6-58.9-179.7-9.800112.7N32N32-Q34 PolarHBondContact O-N 3.3Å; N32-Q34 WeakPolarHBondContact OD1-CB 3.44Å; N32-Q34 PolarHBondContact OD1-N 3.27Å
35D85.8Confident92Very high64 Ų6456.7 Ų56.734%0.34229%0.286SS..  trans-142.493.5178.5-176.96.4000110.6N32 T37N32-D35 CarbonylContact O-C 3.13Å; N32-D35 PolarHBondContact O-N 3.06Å; N32-D35 VanDerWaalsContact O-N 3.14Å; N32-D35 VanDerWaalsContact O-O 3.1Å; D35-T37 PolarHBondContact O-N 3.38Å; D35-T37 WeakPolarHBondContact OD1-CB 3.2Å; D35-T37 PolarHBondContact OD1-N 3.17Å; D35-T37 PolarHBondContact OD1-OG1 3.44Å
36M84.9Confident92.1Very high34 Ų3449.5 Ų49.517%0.16725%0.253CS..THydrogen-bonded Turntrans-72.2-11.4178.4-60.9-72.1-64.600112.9L12 Y13 L31 N32 E38L12-M36 HydrophobicContact CB-CE 4.08Å; L12-M36 HydrophobicContact CD1-CB 4.22Å; L12-M36 WeakPolarHBondContact CD1-O 3.32Å; Y13-M36 HydrophobicContact CD2-CE 4.37Å; L31-M36 HydrophobicContact CD1-CE 3.77Å; L31-M36 HydrophobicContact CD1-SD 3.64Å; L31-M36 HydrophobicContact CD2-CE 3.51Å; L31-M36 HydrophobicContact CD2-SD 3.5Å; L31-M36 VanDerWaalsContact CD2-SD 3.5Å; L31-M36 HydrophobicContact CG-CE 4.11Å; L31-M36 HydrophobicContact CG-SD 3.7Å; N32-M36 PolarHBondContact O-N 3.36Å; M36-E38 VanDerWaalsContact C-N 3.28Å
37T89Confident92.2Very high60 Ų6054.1 Ų54.137%0.36828%0.278SS..THydrogen-bonded Turntrans-80.4-13.7-178.273.70000112.4F8 D35 I62F8-T37 HydrophobicContact CE1-CG2 3.94Å; F8-T37 HydrophobicContact CZ-CG2 4Å; D35-T37 PolarHBondContact O-N 3.38Å; D35-T37 WeakPolarHBondContact OD1-CB 3.2Å; D35-T37 PolarHBondContact OD1-N 3.17Å; D35-T37 PolarHBondContact OD1-OG1 3.44Å; T37-I62 PolarHBondContact O-N 3.44Å
38E93.1Very high92.1Very high57 Ų5757 Ų5727%0.26631%0.31SS..EExtended strand (participates in β ladder)trans-117.4126169.8-17417796.100110.3M36 Q40 K59 M60 L61M36-E38 VanDerWaalsContact C-N 3.28Å; E38-Q40 VanDerWaalsContact CD-NE2 3.34Å; E38-Q40 PolarHBondContact OE1-NE2 3.02Å; E38-K59 HydrophobicContact CG-CB 4.45Å; E38-M60 WeakPolarHBondContact CA-O 3.31Å; E38-L61 HydrophobicContact CB-CD2 4.2Å; E38-L61 HydrophobicContact CG-CD2 3.92Å
39V93.6Very high92.3Very high1 Ų152.2 Ų52.21%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-119124.3177.6-172.50000109.3L29 L31 K59 M60 I62 L106L29-V39 HydrophobicContact CD1-CG1 3.3Å; L29-V39 HydrophobicContact CD2-CG1 4.45Å; L29-V39 HydrophobicContact CG-CG1 3.82Å; L31-V39 HydrophobicContact CD1-CG2 4.1Å; V39-K59 CarbonylContact O-C 3.48Å; V39-M60 HydrophobicContact CB-CB 4.39Å; V39-M60 HydrophobicContact CB-CE 4.06Å; V39-M60 HydrophobicContact CG1-CE 4.08Å; V39-M60 PolarHBondContact N-O 3.3Å; V39-M60 PolarHBondContact O-N 3.04Å; V39-I62 HydrophobicContact CG2-CD1 4.21Å; V39-I62 HydrophobicContact CG2-CG1 4.3Å; V39-L106 HydrophobicContact CG2-CD1 4.46Å
40Q96Very high92.5Very high56 Ų5651.8 Ų51.826%0.26229%0.287SS..EExtended strand (participates in β ladder)trans-89.1143.1177.7-63.9-64.9-31.500109.9I30 E38I30-Q40 HydrophobicContact CB-CB 3.97Å; I30-Q40 HydrophobicContact CG2-CB 4.41Å; I30-Q40 PolarHBondContact N-O 3.36Å; I30-Q40 PolarHBondContact O-N 3.22Å; I30-Q40 VanDerWaalsContact O-O 3.09Å; E38-Q40 VanDerWaalsContact CD-NE2 3.34Å; E38-Q40 PolarHBondContact OE1-NE2 3.02Å
41V97.2Very high92.8Very high2 Ų248.2 Ų48.21%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-138140.6-174.4-171.50000109.2I27 Q28 L29 F43 R57 L58 M60 L110I27-V41 HydrophobicContact CG2-CG1 3.83Å; Q28-V41 CarbonylContact O-C 3.48Å; Q28-V41 VanDerWaalsContact O-CA 3.29Å; Q28-V41 WeakPolarHBondContact O-CA 3.19Å; L29-V41 HydrophobicContact CD1-CG2 3.83Å; V41-F43 HydrophobicContact CB-CE2 4.45Å; V41-F43 HydrophobicContact CG1-CD2 3.77Å; V41-F43 HydrophobicContact CG1-CE2 3.56Å; V41-F43 HydrophobicContact CG1-CZ 4.26Å; V41-R57 CarbonylContact O-C 3.43Å; V41-R57 WeakPolarHBondContact O-CA 3.48Å; V41-L58 HydrophobicContact CB-CB 4.28Å; V41-L58 HydrophobicContact CB-CD2 3.92Å; V41-L58 HydrophobicContact CG2-CD2 3.79Å; V41-L58 PolarHBondContact N-O 3.36Å; V41-L58 PolarHBondContact O-N 3.07Å; V41-M60 HydrophobicContact CG2-CE 3.77Å; V41-M60 HydrophobicContact CG2-CG 4.17Å; V41-M60 HydrophobicContact CG2-SD 4.33Å; V41-L110 HydrophobicContact CB-CD2 4.33Å; V41-L110 HydrophobicContact CG1-CD2 3.64Å; V41-L110 HydrophobicContact CG2-CD2 3.76Å
42V97.7Very high93.4Very high11 Ų1149.5 Ų49.57%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-117.9120.6166-172.90000109I27 Q28 I30 K55 F56 R57 W155I27-V42 WeakPolarHBondContact CA-O 2.94Å; Q28-V42 HydrophobicContact CB-CB 4.2Å; Q28-V42 PolarHBondContact N-O 3.43Å; Q28-V42 PolarHBondContact O-N 2.89Å; I30-V42 HydrophobicContact CD1-CG2 4.2Å; V42-K55 HydrophobicContact CG1-CB 4.11Å; V42-K55 HydrophobicContact CG1-CD 4.35Å; V42-F56 WeakPolarHBondContact CA-O 3.49Å; V42-R57 HydrophobicContact CG2-CG 4.28Å; V42-W155 HydrophobicContact CG1-CZ2 4.02Å
43F97.7Very high94.1Very high0 Ų047.8 Ų47.80%027%0.274CS..EExtended strand (participates in β ladder)trans-97.9136.9172.4-81.9-85.1000110.9G26 I27 V41 K55 F56 L58 L110 I113 R114G26-F43 CarbonylContact O-C 3.54Å; G26-F43 WeakPolarHBondContact O-CA 3.33Å; I27-F43 HydrophobicContact CB-CE1 4.44Å; I27-F43 HydrophobicContact CD1-CD1 4.04Å; I27-F43 HydrophobicContact CD1-CE1 3.37Å; I27-F43 HydrophobicContact CD1-CZ 4.15Å; I27-F43 HydrophobicContact CG1-CD1 3.7Å; I27-F43 HydrophobicContact CG1-CE1 3.55Å; I27-F43 HydrophobicContact CG1-CZ 4.47Å; I27-F43 HydrophobicContact CG2-CD1 4.46Å; I27-F43 HydrophobicContact CG2-CE1 4.12Å; I27-F43 HydrophobicContact CG2-CZ 4.26Å; V41-F43 HydrophobicContact CB-CE2 4.45Å; V41-F43 HydrophobicContact CG1-CD2 3.77Å; V41-F43 HydrophobicContact CG1-CE2 3.56Å; V41-F43 HydrophobicContact CG1-CZ 4.26Å; F43-K55 CarbonylContact O-C 3.59Å; F43-K55 VanDerWaalsContact O-CA 3.31Å; F43-K55 WeakPolarHBondContact O-CA 3.44Å; F43-F56 HydrophobicContact CB-CB 4.35Å; F43-F56 PolarHBondContact N-O 3.48Å; F43-F56 PolarHBondContact O-N 3.41Å; F43-L58 HydrophobicContact CE2-CD1 4.48Å; F43-L110 WeakPolarHBondContact CE1-O 3.33Å; F43-L110 HydrophobicContact CE2-CD2 3.94Å; F43-L110 HydrophobicContact CZ-CB 4.2Å; F43-L110 HydrophobicContact CZ-CD2 3.71Å; F43-L110 WeakPolarHBondContact CZ-O 3.27Å; F43-I113 HydrophobicContact CE2-CG2 4.04Å; F43-I113 HydrophobicContact CZ-CB 4.14Å; F43-I113 HydrophobicContact CZ-CG2 4.04Å; F43-R114 HydrophobicContact CE1-CB 3.98Å
44D98.1Very high95Very high61 Ų6140 Ų4033%0.32624%0.238SC..EExtended strand (participates in β ladder)trans-82131.7160.8-66.2-9.9000108.4G26 P46 K55G26-D44 WeakPolarHBondContact CA-OD2 3.44Å; G26-D44 PolarHBondContact O-N 2.86Å; D44-P46 WeakPolarHBondContact O-CD 3.39Å; D44-K55 WeakPolarHBondContact OD1-CG 3.41Å; D44-K55 IonicContact OD1-NZ 3.44Å; D44-K55 PolarHBondContact OD1-NZ 2.73Å; D44-K55 IonicContact OD2-NZ 3.96Å; D44-K55 PolarHBondContact OD2-NZ 2.99Å
45G98.1Very high95.7Very high7 Ų733.8 Ų33.87%0.07221%0.208CC..PPolyproline II helixtrans-56.2122.4173.700000110.5V47 Y51 G54G45-V47 PolarHBondContact O-N 3.04Å; G45-Y51 WeakPolarHBondContact CA-O 3.33Å; G45-G54 PolarHBondContact N-O 3.14Å
46P98Very high96.3Very high7 Ų730.7 Ų30.75%0.04519%0.192CC..PPolyproline II helixtrans-62.1136.9-175-23.833.7000112.2D44 G48 T49 R114 L117 I118D44-P46 WeakPolarHBondContact O-CD 3.39Å; P46-G48 PolarHBondContact O-N 3.46Å; P46-T49 HydrophobicContact CB-CG2 3.86Å; P46-T49 HydrophobicContact CG-CG2 4.5Å; P46-T49 WeakPolarHBondContact O-CB 3.46Å; P46-T49 WeakPolarHBondContact O-CG2 3.48Å; P46-T49 PolarHBondContact O-N 3.13Å; P46-T49 PolarHBondContact O-OG1 2.99Å; P46-R114 HydrophobicContact CG-CG 4.21Å; P46-L117 HydrophobicContact CG-CB 4Å; P46-I118 HydrophobicContact CB-CD1 4.17Å; P46-I118 HydrophobicContact CB-CG1 3.68Å; P46-I118 HydrophobicContact CG-CD1 4.41Å; P46-I118 HydrophobicContact CG-CG1 3.87Å
47V97.1Very high96.9Very high114 Ų11433.8 Ų33.869%0.69120%0.202SC*.THydrogen-bonded Turntrans-58.6135.2179.9177.50000110.8G45 T49 D52G45-V47 PolarHBondContact O-N 3.04Å; V47-T49 VanDerWaalsContact C-N 3.32Å; V47-D52 WeakPolarHBondContact CA-OD2 3.45Å
48G96.6Very high97.4Very high71 Ų7131 Ų3173%0.73218%0.184SC*.THydrogen-bonded Turntrans80.79.1-179.500000114.8P46 D52P46-G48 PolarHBondContact O-N 3.46Å; G48-D52 PolarHBondContact N-OD2 3.04Å; G48-D52 VanDerWaalsContact N-OD2 3.07Å
49T98Very high97.5Very high12 Ų1231.5 Ų31.57%0.07419%0.185CC..SBendtrans-103.5167.7169.171.80000110.2P46 V47 Y51 D52 L117 I118P46-T49 HydrophobicContact CB-CG2 3.86Å; P46-T49 HydrophobicContact CG-CG2 4.5Å; P46-T49 WeakPolarHBondContact O-CB 3.46Å; P46-T49 WeakPolarHBondContact O-CG2 3.48Å; P46-T49 PolarHBondContact O-N 3.13Å; P46-T49 PolarHBondContact O-OG1 2.99Å; V47-T49 VanDerWaalsContact C-N 3.32Å; T49-Y51 PolarHBondContact O-N 2.97Å; T49-Y51 VanDerWaalsContact O-N 3.12Å; T49-Y51 WeakPolarHBondContact OG1-CB 3.41Å; T49-Y51 PolarHBondContact OG1-N 3.45Å; T49-D52 WeakPolarHBondContact O-CB 3.26Å; T49-D52 PolarHBondContact O-N 3.34Å; T49-L117 WeakPolarHBondContact CG2-O 3.39Å; T49-I118 HydrophobicContact CG2-CG1 4.26Å
50P98.4Very high97.6Very high8 Ų831.4 Ų31.45%0.05219%0.185CC..THydrogen-bonded Turntrans-60.4-16.5170.3-23.135.3000113.8F141 V142 A145P50-F141 HydrophobicContact CG-CE1 4.29Å; P50-V142 HydrophobicContact CB-CG1 4.43Å; P50-V142 HydrophobicContact CG-CB 4.24Å; P50-V142 HydrophobicContact CG-CG1 4.15Å; P50-V142 HydrophobicContact CG-CG2 3.94Å; P50-A145 HydrophobicContact CB-CB 3.52Å; P50-A145 HydrophobicContact CG-CB 4.18Å
51Y98.6Very high97.6Very high1 Ų131.5 Ų31.50%0.00419%0.187CC..THydrogen-bonded Turntrans-88.5-8.7-177.2-47.7-62.2000113.4G45 T49 G54 F56 I79 F80 H81 L117 A145G45-Y51 WeakPolarHBondContact CA-O 3.33Å; T49-Y51 PolarHBondContact O-N 2.97Å; T49-Y51 VanDerWaalsContact O-N 3.12Å; T49-Y51 WeakPolarHBondContact OG1-CB 3.41Å; T49-Y51 PolarHBondContact OG1-N 3.45Å; Y51-G54 PolarHBondContact O-N 3.34Å; Y51-F56 AromaticContact CD1-CZ 3.97Å; Y51-F56 HydrophobicContact CD1-CZ 3.97Å; Y51-F56 HydrophobicContact CG-CZ 4.26Å; Y51-I79 HydrophobicContact CD1-CD1 3.77Å; Y51-I79 HydrophobicContact CD1-CG1 3.95Å; Y51-I79 HydrophobicContact CE1-CD1 3.68Å; Y51-I79 HydrophobicContact CE1-CG1 3.61Å; Y51-I79 HydrophobicContact CG-CD1 4.43Å; Y51-F80 WeakPolarHBondContact CE1-O 3.41Å; Y51-F80 PolarHBondContact OH-O 3.43Å; Y51-H81 AromaticContact CE2-CD2 3.93Å; Y51-H81 AromaticContact CZ-CD2 3.73Å; Y51-H81 PolarHBondContact OH-CD2 2.81Å; Y51-L117 HydrophobicContact CD2-CB 4.08Å; Y51-L117 HydrophobicContact CD2-CD2 4.31Å; Y51-L117 WeakPolarHBondContact CD2-O 3.46Å; Y51-L117 HydrophobicContact CE2-CB 4.36Å; Y51-L117 HydrophobicContact CE2-CD2 4.25Å; Y51-L117 WeakPolarHBondContact CE2-O 3.49Å; Y51-A145 HydrophobicContact CE1-CB 3.97Å
52D98Very high97.4Very high57 Ų5732 Ų3231%0.30519%0.189SC..THydrogen-bonded Turntrans-48.9136.1-177-166-10.3000112.2V47 G48 T49 G54 Y154V47-D52 WeakPolarHBondContact CA-OD2 3.45Å; G48-D52 PolarHBondContact N-OD2 3.04Å; G48-D52 VanDerWaalsContact N-OD2 3.07Å; T49-D52 WeakPolarHBondContact O-CB 3.26Å; T49-D52 PolarHBondContact O-N 3.34Å; D52-G54 PolarHBondContact O-N 3Å; D52-Y154 PolarHBondContact O-OH 2.93Å
53G97.1Very high97.2Very high33 Ų3332.5 Ų32.534%0.3419%0.193SC..THydrogen-bonded Turntrans77-12.7-175.400000115.5H156G53-H156 PolarHBondContact O-CE1 3.05Å; G53-H156 VanDerWaalsContact O-CE1 3.24Å
54G98.3Very high96.7Very high1 Ų139.7 Ų39.71%0.0123%0.231CC..  trans-76.3151.1174.100000113.3G45 Y51 D52G45-G54 PolarHBondContact N-O 3.14Å; Y51-G54 PolarHBondContact O-N 3.34Å; D52-G54 PolarHBondContact O-N 3Å
55K98.3Very high96.3Very high52 Ų5241.3 Ų41.323%0.22624%0.236CC..EExtended strand (participates in β ladder)trans-114.3126.5163.2-71.9-169.4-176.3-80.10110.6V42 F43 D44 A153 W155 H156V42-K55 HydrophobicContact CG1-CB 4.11Å; V42-K55 HydrophobicContact CG1-CD 4.35Å; F43-K55 CarbonylContact O-C 3.59Å; F43-K55 VanDerWaalsContact O-CA 3.31Å; F43-K55 WeakPolarHBondContact O-CA 3.44Å; D44-K55 WeakPolarHBondContact OD1-CG 3.41Å; D44-K55 IonicContact OD1-NZ 3.44Å; D44-K55 PolarHBondContact OD1-NZ 2.73Å; D44-K55 IonicContact OD2-NZ 3.96Å; D44-K55 PolarHBondContact OD2-NZ 2.99Å; K55-A153 PolarHBondContact N-O 3.27Å; K55-A153 WeakPolarHBondContact O-CA 3.41Å; K55-A153 WeakPolarHBondContact O-CB 3.38Å; K55-W155 HydrophobicContact CB-CZ2 3.61Å; K55-W155 HydrophobicContact CD-CH2 4.3Å; K55-W155 HydrophobicContact CD-CZ2 4.17Å; K55-W155 PolarHBondContact O-NE1 3.39Å; K55-H156 HydrophobicContact CD-CB 3.84Å; K55-H156 WeakPolarHBondContact CG-ND1 3.34Å
56F98.6Very high96Very high0 Ų041.5 Ų41.50%024%0.235CC..EExtended strand (participates in β ladder)trans-114116.3-174.4-59.2-93.6000110.6V42 F43 Y51 F75 T77 I79 T149 A153V42-F56 WeakPolarHBondContact CA-O 3.49Å; F43-F56 HydrophobicContact CB-CB 4.35Å; F43-F56 PolarHBondContact N-O 3.48Å; F43-F56 PolarHBondContact O-N 3.41Å; Y51-F56 AromaticContact CD1-CZ 3.97Å; Y51-F56 HydrophobicContact CD1-CZ 3.97Å; Y51-F56 HydrophobicContact CG-CZ 4.26Å; F56-F75 HydrophobicContact CB-CD1 4.02Å; F56-F75 HydrophobicContact CB-CE1 3.73Å; F56-F75 HydrophobicContact CD1-CD1 4.34Å; F56-F75 HydrophobicContact CD1-CE1 4.27Å; F56-F75 HydrophobicContact CG-CE1 4.16Å; F56-T77 HydrophobicContact CD1-CG2 3.95Å; F56-I79 HydrophobicContact CD1-CB 4.26Å; F56-I79 HydrophobicContact CD1-CD1 3.92Å; F56-I79 HydrophobicContact CD1-CG1 4.34Å; F56-I79 HydrophobicContact CE1-CB 4.07Å; F56-I79 HydrophobicContact CE1-CD1 3.66Å; F56-I79 HydrophobicContact CE1-CG1 3.83Å; F56-I79 HydrophobicContact CZ-CD1 4.2Å; F56-T149 HydrophobicContact CE2-CG2 4.48Å; F56-T149 HydrophobicContact CZ-CG2 3.83Å; F56-A153 HydrophobicContact CD1-CB 4.01Å; F56-A153 HydrophobicContact CD2-CB 4.4Å; F56-A153 HydrophobicContact CE1-CB 3.64Å; F56-A153 HydrophobicContact CE2-CB 4.04Å; F56-A153 HydrophobicContact CG-CB 4.38Å; F56-A153 HydrophobicContact CZ-CB 3.66Å
57R98.3Very high95.7Very high99 Ų9942.7 Ų42.737%0.37424%0.242SC..EExtended strand (participates in β ladder)trans-76.8134.1168.9-70.3-174-72.6-93.1-1.5110.3V41 V42 C76 T77 W155V41-R57 CarbonylContact O-C 3.43Å; V41-R57 WeakPolarHBondContact O-CA 3.48Å; V42-R57 HydrophobicContact CG2-CG 4.28Å; R57-C76 HydrophobicContact CB-CB 4.03Å; R57-C76 WeakPolarHBondContact O-CA 3.45Å; R57-C76 WeakPolarHBondContact O-CB 3.31Å; R57-C76 PolarHBondContact O-N 3.21Å; R57-T77 PolarHBondContact N-OG1 2.66Å; R57-T77 PolarHBondContact O-N 3.45Å; R57-T77 VanDerWaalsContact O-N 3.08Å; R57-W155 HydrophobicContact CG-CZ2 4.3Å
58L97.9Very high95.5Very high0 Ų043.7 Ų43.70%024%0.242CC..EExtended strand (participates in β ladder)trans-137.5145.3178.1174.5139.3000109.3V41 F43 M60 A73 Y74 F75 V91 I113V41-L58 HydrophobicContact CB-CB 4.28Å; V41-L58 HydrophobicContact CB-CD2 3.92Å; V41-L58 HydrophobicContact CG2-CD2 3.79Å; V41-L58 PolarHBondContact N-O 3.36Å; V41-L58 PolarHBondContact O-N 3.07Å; F43-L58 HydrophobicContact CE2-CD1 4.48Å; L58-M60 HydrophobicContact CD2-CG 3.49Å; L58-M60 VanDerWaalsContact CD2-CG 3.49Å; L58-M60 HydrophobicContact CD2-SD 4.48Å; L58-A73 HydrophobicContact CD1-CB 4.15Å; L58-A73 HydrophobicContact CD2-CB 4.21Å; L58-A73 HydrophobicContact CG-CB 4.49Å; L58-Y74 CarbonylContact C-O 3.24Å; L58-Y74 VanDerWaalsContact CA-O 3.27Å; L58-Y74 WeakPolarHBondContact CA-O 3.48Å; L58-Y74 WeakPolarHBondContact CG-O 3.47Å; L58-F75 HydrophobicContact CD1-CD2 3.57Å; L58-F75 HydrophobicContact CD1-CE1 4.49Å; L58-F75 HydrophobicContact CD1-CE2 3.45Å; L58-F75 VanDerWaalsContact CD1-CE2 3.45Å; L58-F75 HydrophobicContact CD1-CG 4.15Å; L58-F75 HydrophobicContact CD1-CZ 3.96Å; L58-V91 HydrophobicContact CD1-CG2 4.38Å; L58-I113 HydrophobicContact CD1-CD1 4.23Å; L58-I113 HydrophobicContact CD1-CG2 4.36Å
59K96.6Very high95.3Very high68 Ų6844.1 Ų44.130%0.29623%0.226SC..EExtended strand (participates in β ladder)trans-110.8138.4167.365.6178-176.3174.10110.1E38 V39 A73 Y74E38-K59 HydrophobicContact CG-CB 4.45Å; V39-K59 CarbonylContact O-C 3.48Å; K59-A73 WeakPolarHBondContact O-CA 3.34Å; K59-Y74 HydrophobicContact CG-CD2 4.31Å; K59-Y74 PolarHBondContact N-O 3.35Å; K59-Y74 PolarHBondContact O-N 3.38Å
60M95.9Very high95.1Very high0 Ų044.1 Ų44.10%023%0.226CC..EExtended strand (participates in β ladder)trans-107.8130.7169.7-64.2-170.5-60.400109.3L29 E38 V39 V41 L58 K72 A73 L106 I109 L110L29-M60 HydrophobicContact CD1-CE 4.06Å; E38-M60 WeakPolarHBondContact CA-O 3.31Å; V39-M60 HydrophobicContact CB-CB 4.39Å; V39-M60 HydrophobicContact CB-CE 4.06Å; V39-M60 HydrophobicContact CG1-CE 4.08Å; V39-M60 PolarHBondContact N-O 3.3Å; V39-M60 PolarHBondContact O-N 3.04Å; V41-M60 HydrophobicContact CG2-CE 3.77Å; V41-M60 HydrophobicContact CG2-CG 4.17Å; V41-M60 HydrophobicContact CG2-SD 4.33Å; L58-M60 HydrophobicContact CD2-CG 3.49Å; L58-M60 VanDerWaalsContact CD2-CG 3.49Å; L58-M60 HydrophobicContact CD2-SD 4.48Å; M60-K72 CarbonylContact C-O 3.51Å; M60-K72 WeakPolarHBondContact CA-O 3.48Å; M60-A73 HydrophobicContact CG-CB 4.28Å; M60-L106 HydrophobicContact CE-CB 4.47Å; M60-L106 HydrophobicContact CE-CD2 4Å; M60-I109 HydrophobicContact SD-CG2 4.03Å; M60-L110 HydrophobicContact CE-CD1 4.34Å; M60-L110 HydrophobicContact CE-CD2 3.9Å; M60-L110 HydrophobicContact CE-CG 4.17Å; M60-L110 HydrophobicContact SD-CD2 3.76Å; M60-L110 HydrophobicContact SD-CG 4.18Å
61L95.1Very high95Very high57 Ų5743.8 Ų43.830%0.29822%0.224SC..EExtended strand (participates in β ladder)trans-103.2119.6173.5-57.8-175.5000108.5E38 P71 K72 Y74E38-L61 HydrophobicContact CB-CD2 4.2Å; E38-L61 HydrophobicContact CG-CD2 3.92Å; L61-P71 WeakPolarHBondContact O-CA 3.41Å; L61-K72 PolarHBondContact N-O 3.24Å; L61-K72 PolarHBondContact O-N 3.23Å; L61-Y74 HydrophobicContact CB-CE2 4.45Å; L61-Y74 HydrophobicContact CD1-CD2 4.25Å; L61-Y74 HydrophobicContact CD1-CE2 3.59Å; L61-Y74 HydrophobicContact CG-CD2 4.22Å; L61-Y74 HydrophobicContact CG-CE2 3.87Å
62I93.3Very high94.9Very high12 Ų1248.2 Ų48.26%0.06224%0.243CC..PPolyproline II helixtrans-86.5117.8178.5-44.1-53.2000108.6F8 L12 T37 V39 Y66 P71 L106F8-I62 HydrophobicContact CE2-CB 4.34Å; F8-I62 HydrophobicContact CE2-CG2 3.52Å; F8-I62 HydrophobicContact CZ-CB 4.14Å; F8-I62 HydrophobicContact CZ-CG2 3.8Å; L12-I62 HydrophobicContact CD1-CB 4.43Å; L12-I62 HydrophobicContact CD1-CG1 4.18Å; L12-I62 HydrophobicContact CD1-CG2 4.16Å; L12-I62 HydrophobicContact CD2-CD1 4.36Å; L12-I62 HydrophobicContact CD2-CG1 4.11Å; L12-I62 HydrophobicContact CD2-CG2 4.03Å; T37-I62 PolarHBondContact O-N 3.44Å; V39-I62 HydrophobicContact CG2-CD1 4.21Å; V39-I62 HydrophobicContact CG2-CG1 4.3Å; I62-Y66 VanDerWaalsContact CG2-CB 3.49Å; I62-Y66 HydrophobicContact CG2-CD1 3.88Å; I62-Y66 HydrophobicContact CG2-CD2 3.88Å; I62-Y66 HydrophobicContact CG2-CG 3.46Å; I62-Y66 VanDerWaalsContact CG2-CG 3.46Å; I62-P71 HydrophobicContact CD1-CB 3.88Å; I62-P71 HydrophobicContact CD1-CG 3.8Å; I62-L106 HydrophobicContact CD1-CD2 3.64Å
63P92.1Very high94.9Very high23 Ų2345.5 Ų45.515%0.14923%0.229CC..PPolyproline II helixtrans-70157.8179.230-35.6000111.5Q65 Y66 E69P63-Q65 PolarHBondContact O-N 2.99Å; P63-Y66 WeakPolarHBondContact O-CB 3.4Å; P63-Y66 PolarHBondContact O-N 2.83Å; P63-E69 HydrophobicContact CG-CB 3.91Å
64L88.2Confident94.9Very high150 Ų15045.8 Ų45.879%0.78522%0.22SC*.THydrogen-bonded Turntrans-59.3-30.4176.5-177.362.9000112.4Y66L64-Y66 VanDerWaalsContact C-N 3.27Å; L64-Y66 PolarHBondContact O-N 3.21Å
65Q90Very high94.9Very high96 Ų9646.3 Ų46.345%0.44922%0.222SC..THydrogen-bonded Turntrans-83.12.7179.7-66.17124.900113.2P63 I68 E69P63-Q65 PolarHBondContact O-N 2.99Å; Q65-I68 WeakPolarHBondContact O-CA 3.48Å; Q65-I68 WeakPolarHBondContact O-CB 3.28Å; Q65-I68 PolarHBondContact O-N 3.26Å; Q65-E69 HydrophobicContact CB-CB 4.33Å; Q65-E69 HydrophobicContact CB-CG 4.03Å; Q65-E69 PolarHBondContact O-N 2.8Å
66Y91.2Very high94.9Very high11 Ų1147.1 Ų47.14%0.04323%0.233CC..THydrogen-bonded Turntrans-60.1135178.2-176.3-94.8000111.5F8 R11 L12 E15 I62 P63 L64 E69 P71 W100 G105F8-Y66 HydrophobicContact CD2-CD1 4.45Å; F8-Y66 HydrophobicContact CE2-CD1 4.37Å; R11-Y66 HydrophobicContact CG-CE1 4.23Å; L12-Y66 HydrophobicContact CD2-CD1 4.06Å; L12-Y66 HydrophobicContact CD2-CE1 3.72Å; L12-Y66 HydrophobicContact CG-CE1 4.47Å; E15-Y66 PolarHBondContact OE1-OH 2.85Å; E15-Y66 PolarHBondContact OE2-OH 2.92Å; I62-Y66 VanDerWaalsContact CG2-CB 3.49Å; I62-Y66 HydrophobicContact CG2-CD1 3.88Å; I62-Y66 HydrophobicContact CG2-CD2 3.88Å; I62-Y66 HydrophobicContact CG2-CG 3.46Å; I62-Y66 VanDerWaalsContact CG2-CG 3.46Å; P63-Y66 WeakPolarHBondContact O-CB 3.4Å; P63-Y66 PolarHBondContact O-N 2.83Å; L64-Y66 VanDerWaalsContact C-N 3.27Å; L64-Y66 PolarHBondContact O-N 3.21Å; Y66-E69 WeakPolarHBondContact CD2-O 3.49Å; Y66-P71 HydrophobicContact CD2-CG 3.98Å; Y66-P71 HydrophobicContact CE2-CG 3.71Å; Y66-W100 HydrophobicContact CD2-CZ2 4.26Å; Y66-W100 AromaticContact CE2-CH2 3.7Å; Y66-W100 HydrophobicContact CE2-CH2 3.7Å; Y66-W100 AromaticContact CE2-CZ2 3.71Å; Y66-W100 HydrophobicContact CE2-CZ2 3.71Å; Y66-G105 WeakPolarHBondContact OH-CA 3.42Å
67P92.3Very high94.9Very high31 Ų3147.5 Ų47.520%0.20124%0.235CC..THydrogen-bonded Turncis-95.911.91038.2-36.7000115.1E69 W100 S102P67-E69 VanDerWaalsContact C-N 3.3Å; P67-E69 PolarHBondContact O-N 3.26Å; P67-W100 HydrophobicContact CB-CZ2 4.24Å; P67-W100 WeakPolarHBondContact O-CZ2 3.36Å; P67-W100 PolarHBondContact O-NE1 2.72Å; P67-S102 WeakPolarHBondContact CB-O 3.48Å; P67-S102 WeakPolarHBondContact CG-O 3.29Å; P67-S102 VanDerWaalsContact O-CA 3.28Å; P67-S102 WeakPolarHBondContact O-CA 3.5Å; P67-S102 WeakPolarHBondContact O-CB 3.34Å
68I92.6Very high94.9Very high135 Ų13549.2 Ų49.269%0.69225%0.245SC*.THydrogen-bonded Turntrans-61.7-44.1176.3-57.1172000109.5Q65 W100Q65-I68 WeakPolarHBondContact O-CA 3.48Å; Q65-I68 WeakPolarHBondContact O-CB 3.28Å; Q65-I68 PolarHBondContact O-N 3.26Å; I68-W100 PolarHBondContact O-NE1 3.5Å
69E92.2Very high94.9Very high81 Ų8149.7 Ų49.738%0.37925%0.248SC..SBendtrans-101.4141.9171.4-64.7-169.6-177.800111.6P63 Q65 Y66 P67P63-E69 HydrophobicContact CG-CB 3.91Å; Q65-E69 HydrophobicContact CB-CB 4.33Å; Q65-E69 HydrophobicContact CB-CG 4.03Å; Q65-E69 PolarHBondContact O-N 2.8Å; Y66-E69 WeakPolarHBondContact CD2-O 3.49Å; P67-E69 VanDerWaalsContact C-N 3.3Å; P67-E69 PolarHBondContact O-N 3.26Å
70P94.5Very high95Very high11 Ų1147.4 Ų47.47%0.07124%0.238CC..PPolyproline II helixtrans-69.7153.7175.427.1-31000111.5K97 W100 I109P70-K97 HydrophobicContact CG-CG 3.6Å; P70-W100 HydrophobicContact CB-CB 4.32Å; P70-W100 HydrophobicContact CB-CD2 3.58Å; P70-W100 HydrophobicContact CB-CE3 3.95Å; P70-W100 HydrophobicContact CB-CG 3.74Å; P70-W100 HydrophobicContact CB-CZ2 4.43Å; P70-W100 HydrophobicContact CG-CB 4.3Å; P70-W100 HydrophobicContact CG-CD2 4.36Å; P70-W100 HydrophobicContact CG-CG 4Å; P70-I109 HydrophobicContact CB-CD1 3.91Å
71P95.1Very high95.2Very high2 Ų247.4 Ų47.41%0.01324%0.238CC..PPolyproline II helixtrans-52.1144.8164.6-25.134.5000112L61 I62 Y66 L106 I109L61-P71 WeakPolarHBondContact O-CA 3.41Å; I62-P71 HydrophobicContact CD1-CB 3.88Å; I62-P71 HydrophobicContact CD1-CG 3.8Å; Y66-P71 HydrophobicContact CD2-CG 3.98Å; Y66-P71 HydrophobicContact CE2-CG 3.71Å; P71-L106 HydrophobicContact CG-CD2 4Å; P71-I109 HydrophobicContact CG-CG1 4.32Å
72K96.7Very high95.3Very high93 Ų9344.7 Ų44.740%0.40422%0.224SC..EExtended strand (participates in β ladder)trans-87.9150.5165.1-62.8-174.9-178.6-175.90109.1M60 L61 Y74M60-K72 CarbonylContact C-O 3.51Å; M60-K72 WeakPolarHBondContact CA-O 3.48Å; L61-K72 PolarHBondContact N-O 3.24Å; L61-K72 PolarHBondContact O-N 3.23Å; K72-Y74 HydrophobicContact CB-CE2 3.74Å; K72-Y74 WeakPolarHBondContact CD-OH 3.44Å
73A98Very high95.6Very high1 Ų144.1 Ų44.11%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-132.2140.3-177.900000111.1L58 K59 M60 V91 L96 I113L58-A73 HydrophobicContact CD1-CB 4.15Å; L58-A73 HydrophobicContact CD2-CB 4.21Å; L58-A73 HydrophobicContact CG-CB 4.49Å; K59-A73 WeakPolarHBondContact O-CA 3.34Å; M60-A73 HydrophobicContact CG-CB 4.28Å; A73-V91 HydrophobicContact CB-CB 4.25Å; A73-V91 HydrophobicContact CB-CG2 3.98Å; A73-V91 PolarHBondContact O-N 3.34Å; A73-L96 HydrophobicContact CB-CD1 4.19Å; A73-I113 HydrophobicContact CB-CD1 3.56Å
74Y98.4Very high95.9Very high39 Ų3943.2 Ų43.215%0.15322%0.215CC..EExtended strand (participates in β ladder)trans-137.8122.2-177.4-54.1-98.4000110.5L58 K59 L61 K72 C76 G89 E90L58-Y74 CarbonylContact C-O 3.24Å; L58-Y74 VanDerWaalsContact CA-O 3.27Å; L58-Y74 WeakPolarHBondContact CA-O 3.48Å; L58-Y74 WeakPolarHBondContact CG-O 3.47Å; K59-Y74 HydrophobicContact CG-CD2 4.31Å; K59-Y74 PolarHBondContact N-O 3.35Å; K59-Y74 PolarHBondContact O-N 3.38Å; L61-Y74 HydrophobicContact CB-CE2 4.45Å; L61-Y74 HydrophobicContact CD1-CD2 4.25Å; L61-Y74 HydrophobicContact CD1-CE2 3.59Å; L61-Y74 HydrophobicContact CG-CD2 4.22Å; L61-Y74 HydrophobicContact CG-CE2 3.87Å; K72-Y74 HydrophobicContact CB-CE2 3.74Å; K72-Y74 WeakPolarHBondContact CD-OH 3.44Å; Y74-C76 PolarHBondContact O-N 2.98Å; Y74-G89 CarbonylContact C-O 2.87Å; Y74-G89 VanDerWaalsContact CA-O 3.28Å; Y74-G89 WeakPolarHBondContact CA-O 3.48Å; Y74-E90 HydrophobicContact CD1-CB 3.73Å; Y74-E90 HydrophobicContact CD1-CG 4.17Å; Y74-E90 HydrophobicContact CE1-CB 3.75Å; Y74-E90 HydrophobicContact CE1-CG 3.79Å
75F98.6Very high96.4Very high11 Ų1136.9 Ų36.95%0.04818%0.184CC..EExtended strand (participates in β ladder)trans-68.6116.3170.3-83.5-99.8000110.3F56 L58 I79 I84 G89 V91 I113 L117F56-F75 HydrophobicContact CB-CD1 4.02Å; F56-F75 HydrophobicContact CB-CE1 3.73Å; F56-F75 HydrophobicContact CD1-CD1 4.34Å; F56-F75 HydrophobicContact CD1-CE1 4.27Å; F56-F75 HydrophobicContact CG-CE1 4.16Å; L58-F75 HydrophobicContact CD1-CD2 3.57Å; L58-F75 HydrophobicContact CD1-CE1 4.49Å; L58-F75 HydrophobicContact CD1-CE2 3.45Å; L58-F75 VanDerWaalsContact CD1-CE2 3.45Å; L58-F75 HydrophobicContact CD1-CG 4.15Å; L58-F75 HydrophobicContact CD1-CZ 3.96Å; F75-I79 HydrophobicContact CB-CG2 4.14Å; F75-I79 HydrophobicContact CD1-CD1 4.47Å; F75-I79 HydrophobicContact CD1-CG2 3.91Å; F75-I79 HydrophobicContact CE1-CD1 4.1Å; F75-I79 HydrophobicContact CE1-CG2 4.48Å; F75-I79 HydrophobicContact CG-CG2 3.95Å; F75-I84 HydrophobicContact CB-CG2 4.35Å; F75-I84 HydrophobicContact CD1-CD1 4.48Å; F75-I84 HydrophobicContact CD2-CD1 3.46Å; F75-I84 VanDerWaalsContact CD2-CD1 3.46Å; F75-I84 HydrophobicContact CD2-CG1 4.12Å; F75-I84 HydrophobicContact CD2-CG2 4.17Å; F75-I84 HydrophobicContact CE1-CD1 4.36Å; F75-I84 HydrophobicContact CE2-CD1 3.32Å; F75-I84 HydrophobicContact CE2-CG1 4.17Å; F75-I84 HydrophobicContact CG-CD1 4.07Å; F75-I84 HydrophobicContact CG-CG2 4.48Å; F75-I84 HydrophobicContact CZ-CD1 3.81Å; F75-G89 PolarHBondContact N-O 2.93Å; F75-V91 HydrophobicContact CD2-CG2 3.75Å; F75-V91 HydrophobicContact CE2-CG2 3.73Å; F75-I113 HydrophobicContact CE2-CG2 3.97Å; F75-I113 HydrophobicContact CZ-CG2 3.99Å; F75-L117 HydrophobicContact CZ-CD1 4.42Å; F75-L117 HydrophobicContact CZ-CD2 4.18Å
76C98Very high96.7Very high70 Ų7035.7 Ų35.747%0.47319%0.185SC..SBendtrans-78.9-26.3170-57.20000110.9R57 Y74R57-C76 HydrophobicContact CB-CB 4.03Å; R57-C76 WeakPolarHBondContact O-CA 3.45Å; R57-C76 WeakPolarHBondContact O-CB 3.31Å; R57-C76 PolarHBondContact O-N 3.21Å; Y74-C76 PolarHBondContact O-N 2.98Å
77T98.2Very high97Very high7 Ų742.8 Ų42.84%0.04322%0.223CC..SBendtrans-89.1124.3172.2-55.40000109.1F56 R57 I79 H152 A153F56-T77 HydrophobicContact CD1-CG2 3.95Å; R57-T77 PolarHBondContact N-OG1 2.66Å; R57-T77 PolarHBondContact O-N 3.45Å; R57-T77 VanDerWaalsContact O-N 3.08Å; T77-I79 PolarHBondContact O-N 2.99Å; T77-H152 HydrophobicContact CG2-CB 4.02Å; T77-H152 WeakPolarHBondContact CG2-O 3.42Å; T77-A153 HydrophobicContact CG2-CB 4.1Å
78K98.2Very high97.3Very high135 Ų13545.3 Ų45.359%0.58724%0.239SC*.  trans-56.4137.7175.9-67-169.5178.3-173.40110.6L148 H152K78-L148 HydrophobicContact CB-CD2 4.47Å; K78-H152 HydrophobicContact CB-CB 4.29Å
79I98.7Very high97.5Very high10 Ų1039.3 Ų39.35%0.05121%0.21CC..  trans-149.4140.6-176.4-173.3173.5000109.5Y51 F56 F75 T77 H81 I84 L117Y51-I79 HydrophobicContact CD1-CD1 3.77Å; Y51-I79 HydrophobicContact CD1-CG1 3.95Å; Y51-I79 HydrophobicContact CE1-CD1 3.68Å; Y51-I79 HydrophobicContact CE1-CG1 3.61Å; Y51-I79 HydrophobicContact CG-CD1 4.43Å; F56-I79 HydrophobicContact CD1-CB 4.26Å; F56-I79 HydrophobicContact CD1-CD1 3.92Å; F56-I79 HydrophobicContact CD1-CG1 4.34Å; F56-I79 HydrophobicContact CE1-CB 4.07Å; F56-I79 HydrophobicContact CE1-CD1 3.66Å; F56-I79 HydrophobicContact CE1-CG1 3.83Å; F56-I79 HydrophobicContact CZ-CD1 4.2Å; F75-I79 HydrophobicContact CB-CG2 4.14Å; F75-I79 HydrophobicContact CD1-CD1 4.47Å; F75-I79 HydrophobicContact CD1-CG2 3.91Å; F75-I79 HydrophobicContact CE1-CD1 4.1Å; F75-I79 HydrophobicContact CE1-CG2 4.48Å; F75-I79 HydrophobicContact CG-CG2 3.95Å; T77-I79 PolarHBondContact O-N 2.99Å; I79-H81 HydrophobicContact CD1-CB 4.42Å; I79-H81 HydrophobicContact CG1-CB 4.25Å; I79-I84 HydrophobicContact CD1-CD1 4.13Å; I79-I84 HydrophobicContact CG2-CB 4.26Å; I79-I84 HydrophobicContact CG2-CD1 3.53Å; I79-I84 HydrophobicContact CG2-CG1 4.48Å; I79-I84 HydrophobicContact CG2-CG2 3.85Å; I79-L117 HydrophobicContact CD1-CD2 3.62Å
80F98.7Very high97.8Very high20 Ų2038.2 Ų38.29%0.08821%0.205CC..  trans-96.6106.1174.7-171.1-104.4000107.7Y51 E129 A130 L133 F141 E144 A145 L148Y51-F80 WeakPolarHBondContact CE1-O 3.41Å; Y51-F80 PolarHBondContact OH-O 3.43Å; F80-E129 HydrophobicContact CZ-CG 4.3Å; F80-A130 HydrophobicContact CD1-CB 4.01Å; F80-A130 HydrophobicContact CD2-CB 4.34Å; F80-A130 HydrophobicContact CE1-CB 3.56Å; F80-A130 HydrophobicContact CE2-CB 3.92Å; F80-A130 HydrophobicContact CG-CB 4.38Å; F80-A130 VanDerWaalsContact CZ-CA 3.41Å; F80-A130 HydrophobicContact CZ-CB 3.51Å; F80-L133 HydrophobicContact CE1-CD1 4.19Å; F80-L133 HydrophobicContact CZ-CD1 4.03Å; F80-F141 HydrophobicContact CD1-CD2 4.12Å; F80-F141 HydrophobicContact CD1-CE2 4.15Å; F80-F141 AromaticContact CE1-CD2 3.83Å; F80-F141 HydrophobicContact CE1-CD2 3.83Å; F80-F141 HydrophobicContact CE1-CE2 4.26Å; F80-E144 HydrophobicContact CD1-CB 3.87Å; F80-E144 HydrophobicContact CE1-CB 3.87Å; F80-E144 WeakPolarHBondContact CE1-OE2 3.05Å; F80-E144 WeakPolarHBondContact CE2-OE2 3.43Å; F80-E144 HydrophobicContact CG-CB 4.34Å; F80-E144 HydrophobicContact CZ-CB 4.36Å; F80-E144 WeakPolarHBondContact CZ-OE2 3.47Å; F80-A145 HydrophobicContact CB-CB 4.4Å; F80-A145 HydrophobicContact CD1-CB 4.22Å; F80-L148 HydrophobicContact CB-CB 4.33Å; F80-L148 HydrophobicContact CB-CD2 3.88Å
81H98.6Very high98Very high0 Ų037.8 Ų37.80%020%0.202CC..  trans-155.2137.7-173.1-174.4-77.8000110.1Y51 I79 N83 I84 L116 N127Y51-H81 AromaticContact CE2-CD2 3.93Å; Y51-H81 AromaticContact CZ-CD2 3.73Å; Y51-H81 PolarHBondContact OH-CD2 2.81Å; I79-H81 HydrophobicContact CD1-CB 4.42Å; I79-H81 HydrophobicContact CG1-CB 4.25Å; H81-N83 PolarHBondContact CE1-OD1 2.82Å; H81-N83 PolarHBondContact ND1-N 3.44Å; H81-N83 PolarHBondContact O-N 3.46Å; H81-I84 HydrophobicContact CB-CB 4.13Å; H81-I84 HydrophobicContact CB-CD1 3.73Å; H81-I84 HydrophobicContact CB-CG1 4.01Å; H81-I84 PolarHBondContact O-N 2.88Å; H81-L116 PolarHBondContact NE2-O 2.87Å; H81-N127 WeakPolarHBondContact O-CB 3.49Å
82P98.2Very high98Very high0 Ų038 Ų380%020%0.203CC..THydrogen-bonded Turntrans-55.6-47.2-177.3-26.935.8000113I84 P120 A125 L126 N127 A130 L134 F141P82-I84 VanDerWaalsContact C-N 3.31Å; P82-I84 PolarHBondContact O-N 3.24Å; P82-P120 HydrophobicContact CB-CB 4.29Å; P82-P120 HydrophobicContact CG-CB 3.71Å; P82-P120 HydrophobicContact CG-CG 4.39Å; P82-A125 HydrophobicContact CB-CB 4.29Å; P82-A125 CarbonylContact O-C 3.59Å; P82-A125 VanDerWaalsContact O-CA 3.24Å; P82-A125 WeakPolarHBondContact O-CA 3.33Å; P82-L126 PolarHBondContact O-N 3.05Å; P82-N127 PolarHBondContact O-N 3.36Å; P82-A130 HydrophobicContact CG-CB 4.14Å; P82-L134 HydrophobicContact CG-CB 4.32Å; P82-L134 HydrophobicContact CG-CD2 4.06Å; P82-F141 HydrophobicContact CG-CE2 4.16Å
83N98.4Very high97.8Very high0 Ų035.1 Ų35.10%019%0.193CC..THydrogen-bonded Turntrans-85.712.1-175.6-51.1108.2000115.7H81 C92 L116 N121 S124H81-N83 PolarHBondContact CE1-OD1 2.82Å; H81-N83 PolarHBondContact ND1-N 3.44Å; H81-N83 PolarHBondContact O-N 3.46Å; N83-C92 HydrophobicContact CB-CB 4.3Å; N83-C92 PolarHBondContact O-N 2.63Å; N83-L116 HydrophobicContact CB-CD1 4.5Å; N83-N121 PolarHBondContact ND2-O 3.09Å; N83-N121 PolarHBondContact OD1-N 2.87Å; N83-S124 VanDerWaalsContact ND2-C 3.29Å; N83-S124 PolarHBondContact ND2-O 3.19Å
84I98.6Very high97.5Very high4 Ų440.6 Ų40.62%0.02122%0.223CC..BIsolated β-bridgetrans-122.6124.1-178.7-58.4172.3000108.8F75 I79 H81 P82 G89 E90 V91 L117F75-I84 HydrophobicContact CB-CG2 4.35Å; F75-I84 HydrophobicContact CD1-CD1 4.48Å; F75-I84 HydrophobicContact CD2-CD1 3.46Å; F75-I84 VanDerWaalsContact CD2-CD1 3.46Å; F75-I84 HydrophobicContact CD2-CG1 4.12Å; F75-I84 HydrophobicContact CD2-CG2 4.17Å; F75-I84 HydrophobicContact CE1-CD1 4.36Å; F75-I84 HydrophobicContact CE2-CD1 3.32Å; F75-I84 HydrophobicContact CE2-CG1 4.17Å; F75-I84 HydrophobicContact CG-CD1 4.07Å; F75-I84 HydrophobicContact CG-CG2 4.48Å; F75-I84 HydrophobicContact CZ-CD1 3.81Å; I79-I84 HydrophobicContact CD1-CD1 4.13Å; I79-I84 HydrophobicContact CG2-CB 4.26Å; I79-I84 HydrophobicContact CG2-CD1 3.53Å; I79-I84 HydrophobicContact CG2-CG1 4.48Å; I79-I84 HydrophobicContact CG2-CG2 3.85Å; H81-I84 HydrophobicContact CB-CB 4.13Å; H81-I84 HydrophobicContact CB-CD1 3.73Å; H81-I84 HydrophobicContact CB-CG1 4.01Å; H81-I84 PolarHBondContact O-N 2.88Å; P82-I84 VanDerWaalsContact C-N 3.31Å; P82-I84 PolarHBondContact O-N 3.24Å; I84-G89 WeakPolarHBondContact CG2-O 3.24Å; I84-E90 CarbonylContact C-O 3.08Å; I84-E90 WeakPolarHBondContact CA-O 3.32Å; I84-V91 HydrophobicContact CG1-CG2 4.43Å; I84-L117 HydrophobicContact CD1-CD2 4.42Å
85A98.4Very high97.1Very high17 Ų1739.6 Ų39.614%0.1422%0.221CC..  trans-64.8125.8178.400000110.4N87 T88 G89 E90 L126A85-N87 VanDerWaalsContact C-N 3.27Å; A85-N87 PolarHBondContact O-N 3.34Å; A85-T88 VanDerWaalsContact CB-OG1 3.29Å; A85-T88 WeakPolarHBondContact CB-OG1 3.33Å; A85-G89 VanDerWaalsContact O-CA 3.3Å; A85-G89 WeakPolarHBondContact O-CA 3.5Å; A85-G89 PolarHBondContact O-N 3.3Å; A85-E90 HydrophobicContact CB-CB 4.19Å; A85-E90 PolarHBondContact N-O 3.45Å; A85-L126 HydrophobicContact CB-CB 4.23Å; A85-L126 HydrophobicContact CB-CD1 4.14Å
86P97.7Very high96.8Very high71 Ų7139.3 Ų39.346%0.46122%0.22SC..THydrogen-bonded Turntrans-65.5-29-170.423.7-33.1000113.4
87N97Very high96.5Very high160 Ų16040.8 Ų40.886%0.85622%0.218SC*.THydrogen-bonded Turntrans-91.6-38.8-175-65.6-33.7000113.2A85A85-N87 VanDerWaalsContact C-N 3.27Å; A85-N87 PolarHBondContact O-N 3.34Å
88T97.9Very high96.1Very high85 Ų8547.6 Ų47.652%0.52125%0.247SC..THydrogen-bonded Turntrans-100.7-18.1-174.259.90000112.9A85 E90A85-T88 VanDerWaalsContact CB-OG1 3.29Å; A85-T88 WeakPolarHBondContact CB-OG1 3.33Å; T88-E90 PolarHBondContact O-N 3.13Å; T88-E90 WeakPolarHBondContact OG1-CB 3.49Å; T88-E90 PolarHBondContact OG1-N 2.77Å
89G98.2Very high95.7Very high9 Ų946.4 Ų46.49%0.09325%0.247CC..  trans725.2-169.700000113.6Y74 F75 I84 A85 V91Y74-G89 CarbonylContact C-O 2.87Å; Y74-G89 VanDerWaalsContact CA-O 3.28Å; Y74-G89 WeakPolarHBondContact CA-O 3.48Å; F75-G89 PolarHBondContact N-O 2.93Å; I84-G89 WeakPolarHBondContact CG2-O 3.24Å; A85-G89 VanDerWaalsContact O-CA 3.3Å; A85-G89 WeakPolarHBondContact O-CA 3.5Å; A85-G89 PolarHBondContact O-N 3.3Å; G89-V91 PolarHBondContact O-N 3.38Å
90E98.3Very high95.5Very high57 Ų5747.4 Ų47.427%0.26625%0.25SS..BIsolated β-bridgetrans-60.8131.4-178.2-176.5172.2-16200111.4Y74 I84 A85 T88 L126Y74-E90 HydrophobicContact CD1-CB 3.73Å; Y74-E90 HydrophobicContact CD1-CG 4.17Å; Y74-E90 HydrophobicContact CE1-CB 3.75Å; Y74-E90 HydrophobicContact CE1-CG 3.79Å; I84-E90 CarbonylContact C-O 3.08Å; I84-E90 WeakPolarHBondContact CA-O 3.32Å; A85-E90 HydrophobicContact CB-CB 4.19Å; A85-E90 PolarHBondContact N-O 3.45Å; T88-E90 PolarHBondContact O-N 3.13Å; T88-E90 WeakPolarHBondContact OG1-CB 3.49Å; T88-E90 PolarHBondContact OG1-N 2.77Å; E90-L126 WeakPolarHBondContact O-CD1 3.32Å
91V98.2Very high95.4Very high2 Ų253 Ų531%0.01228%0.275CS..BIsolated β-bridgetrans-83.4135.7171-177.40000109.1L58 A73 F75 I84 G89 V93 L96 I113 L116L58-V91 HydrophobicContact CD1-CG2 4.38Å; A73-V91 HydrophobicContact CB-CB 4.25Å; A73-V91 HydrophobicContact CB-CG2 3.98Å; A73-V91 PolarHBondContact O-N 3.34Å; F75-V91 HydrophobicContact CD2-CG2 3.75Å; F75-V91 HydrophobicContact CE2-CG2 3.73Å; I84-V91 HydrophobicContact CG1-CG2 4.43Å; G89-V91 PolarHBondContact O-N 3.38Å; V91-V93 PolarHBondContact O-N 3.22Å; V91-L96 HydrophobicContact CB-CD1 4.3Å; V91-L96 HydrophobicContact CG1-CD1 4.2Å; V91-L96 HydrophobicContact CG1-CD2 4.14Å; V91-L96 HydrophobicContact CG1-CG 4.15Å; V91-I113 HydrophobicContact CG1-CG1 4.44Å; V91-L116 HydrophobicContact CG1-CD1 4.1Å
92C96.2Very high95.1Very high6 Ų656.2 Ų56.24%0.04130%0.297CS..  trans-51111-178.3-170.60000113.4N83 N94 T95 L96 L126N83-C92 HydrophobicContact CB-CB 4.3Å; N83-C92 PolarHBondContact O-N 2.63Å; C92-N94 PolarHBondContact O-N 2.92Å; C92-T95 WeakPolarHBondContact O-CB 3.42Å; C92-T95 PolarHBondContact O-N 3.19Å; C92-L96 PolarHBondContact O-N 2.77Å; C92-L126 HydrophobicContact CB-CD1 3.9Å; C92-L126 HydrophobicContact CB-CD2 4.46Å; C92-L126 HydrophobicContact CB-CG 3.92Å
93V91.6Very high94.9Very high33 Ų3362 Ų6220%0.233%0.328CS..Hα-helixtrans-60.6-34.4-178.5171.40000111.9V91 T95 L96 K97V91-V93 PolarHBondContact O-N 3.22Å; V93-T95 PolarHBondContact O-N 3.22Å; V93-L96 PolarHBondContact O-N 2.82Å; V93-K97 HydrophobicContact CG1-CD 3.67Å; V93-K97 VanDerWaalsContact CG1-CE 3.43Å; V93-K97 HydrophobicContact CG1-CG 4.01Å; V93-K97 WeakPolarHBondContact O-CB 3.47Å; V93-K97 WeakPolarHBondContact O-CG 3.48Å; V93-K97 PolarHBondContact O-N 3.03Å
94N91.1Very high94.7Very high117 Ų11764 Ų6463%0.62634%0.338SS*.Hα-helixtrans-62.3-36.3177-68.1-15.4000111.5C92 K97 K98C92-N94 PolarHBondContact O-N 2.92Å; N94-K97 PolarHBondContact O-N 3.36Å; N94-K98 PolarHBondContact O-N 3.4Å; N94-K98 VanDerWaalsContact O-N 3.08Å
95T89.8Confident94.4Very high18 Ų1864.4 Ų64.411%0.1134%0.343CS..Hα-helixtrans-69.2-42.9175.8-56.20000111.4C92 V93 K97 L116 S124C92-T95 WeakPolarHBondContact O-CB 3.42Å; C92-T95 PolarHBondContact O-N 3.19Å; V93-T95 PolarHBondContact O-N 3.22Å; T95-K97 VanDerWaalsContact C-N 3.28Å; T95-K97 PolarHBondContact O-N 3.28Å; T95-L116 HydrophobicContact CG2-CD1 3.65Å; T95-L116 HydrophobicContact CG2-CD2 3.58Å; T95-L116 HydrophobicContact CG2-CG 4.07Å; T95-S124 WeakPolarHBondContact OG1-CB 3.34Å
96L92.1Very high94.2Very high4 Ų463.7 Ų63.72%0.02134%0.337CS..Hα-helixtrans-68.3-26.7177.1-60.8-177.1000113.2A73 V91 C92 V93 I109 T112 I113A73-L96 HydrophobicContact CB-CD1 4.19Å; V91-L96 HydrophobicContact CB-CD1 4.3Å; V91-L96 HydrophobicContact CG1-CD1 4.2Å; V91-L96 HydrophobicContact CG1-CD2 4.14Å; V91-L96 HydrophobicContact CG1-CG 4.15Å; C92-L96 PolarHBondContact O-N 2.77Å; V93-L96 PolarHBondContact O-N 2.82Å; L96-I109 HydrophobicContact CB-CD1 4.5Å; L96-I109 HydrophobicContact CD2-CG2 4.45Å; L96-T112 HydrophobicContact CD2-CG2 4.21Å; L96-I113 HydrophobicContact CD2-CD1 4.5Å; L96-I113 HydrophobicContact CD2-CG1 3.92Å
97K92Very high94.1Very high102 Ų10264.2 Ų64.244%0.44333%0.33SS..Hα-helixtrans-85.5-27.1179.8-77.8-176.5176.9-174.60114.3P70 V93 N94 T95 D99 W100P70-K97 HydrophobicContact CG-CG 3.6Å; V93-K97 HydrophobicContact CG1-CD 3.67Å; V93-K97 VanDerWaalsContact CG1-CE 3.43Å; V93-K97 HydrophobicContact CG1-CG 4.01Å; V93-K97 WeakPolarHBondContact O-CB 3.47Å; V93-K97 WeakPolarHBondContact O-CG 3.48Å; V93-K97 PolarHBondContact O-N 3.03Å; N94-K97 PolarHBondContact O-N 3.36Å; T95-K97 VanDerWaalsContact C-N 3.28Å; T95-K97 PolarHBondContact O-N 3.28Å; K97-D99 VanDerWaalsContact C-N 3.25Å; K97-D99 PolarHBondContact O-N 2.79Å; K97-D99 VanDerWaalsContact O-N 3.1Å; K97-W100 PolarHBondContact O-N 3.45Å; K97-W100 VanDerWaalsContact O-N 3.14Å
98K90.3Very high94Very high150 Ų15059.2 Ų59.265%0.65230%0.301SS*.THydrogen-bonded Turntrans-49.4-43.6-167.7-173.1174.6178.5176.40113.5N94N94-K98 PolarHBondContact O-N 3.4Å; N94-K98 VanDerWaalsContact O-N 3.08Å
99D89.9Confident93.9Very high110 Ų11055.1 Ų55.159%0.58828%0.276SS*.THydrogen-bonded Turntrans-12014.7-177.3-60.3-58.1000113.3K97 K101 L104K97-D99 VanDerWaalsContact C-N 3.25Å; K97-D99 PolarHBondContact O-N 2.79Å; K97-D99 VanDerWaalsContact O-N 3.1Å; D99-K101 PolarHBondContact O-N 2.79Å; D99-L104 WeakPolarHBondContact O-CD1 3.38Å
100W95.5Very high93.9Very high31 Ų3154.7 Ų54.712%0.11727%0.272CS..  trans-68134.6-179.2179.1-103.9000111.6Y66 P67 I68 P70 K97 L104 I109Y66-W100 HydrophobicContact CD2-CZ2 4.26Å; Y66-W100 AromaticContact CE2-CH2 3.7Å; Y66-W100 HydrophobicContact CE2-CH2 3.7Å; Y66-W100 AromaticContact CE2-CZ2 3.71Å; Y66-W100 HydrophobicContact CE2-CZ2 3.71Å; P67-W100 HydrophobicContact CB-CZ2 4.24Å; P67-W100 WeakPolarHBondContact O-CZ2 3.36Å; P67-W100 PolarHBondContact O-NE1 2.72Å; I68-W100 PolarHBondContact O-NE1 3.5Å; P70-W100 HydrophobicContact CB-CB 4.32Å; P70-W100 HydrophobicContact CB-CD2 3.58Å; P70-W100 HydrophobicContact CB-CE3 3.95Å; P70-W100 HydrophobicContact CB-CG 3.74Å; P70-W100 HydrophobicContact CB-CZ2 4.43Å; P70-W100 HydrophobicContact CG-CB 4.3Å; P70-W100 HydrophobicContact CG-CD2 4.36Å; P70-W100 HydrophobicContact CG-CG 4Å; K97-W100 PolarHBondContact O-N 3.45Å; K97-W100 VanDerWaalsContact O-N 3.14Å; W100-L104 HydrophobicContact CE3-CB 3.96Å; W100-L104 HydrophobicContact CE3-CD1 4.4Å; W100-L104 HydrophobicContact CH2-CB 4.2Å; W100-L104 WeakPolarHBondContact CH2-O 3.47Å; W100-L104 HydrophobicContact CZ3-CB 3.69Å; W100-I109 HydrophobicContact CE3-CD1 3.67Å; W100-I109 HydrophobicContact CE3-CG1 4.12Å; W100-I109 HydrophobicContact CH2-CG1 4.44Å; W100-I109 HydrophobicContact CZ3-CD1 3.75Å; W100-I109 HydrophobicContact CZ3-CG1 3.64Å
101K95.5Very high93.8Very high137 Ų13755.2 Ų55.260%0.59628%0.276SS*.  trans-133.4146.4170.6-59.2175.7-177.4173.60108.1D99 N103 L104D99-K101 PolarHBondContact O-N 2.79Å; K101-N103 WeakPolarHBondContact CB-OD1 3.43Å; K101-N103 PolarHBondContact O-N 3.28Å; K101-L104 HydrophobicContact CB-CD1 4.13Å; K101-L104 HydrophobicContact CB-CG 4.09Å; K101-L104 WeakPolarHBondContact O-CA 3.33Å; K101-L104 WeakPolarHBondContact O-CB 3.3Å; K101-L104 WeakPolarHBondContact O-CG 3.29Å; K101-L104 PolarHBondContact O-N 3.4Å
102S93.2Very high93.7Very high67 Ų6756.6 Ų56.647%0.46929%0.285SS..THydrogen-bonded Turntrans-66.8-10.8-175.656.70000115.2R11 P67R11-S102 PolarHBondContact NH1-O 3.01Å; P67-S102 WeakPolarHBondContact CB-O 3.48Å; P67-S102 WeakPolarHBondContact CG-O 3.29Å; P67-S102 VanDerWaalsContact O-CA 3.28Å; P67-S102 WeakPolarHBondContact O-CA 3.5Å; P67-S102 WeakPolarHBondContact O-CB 3.34Å
103N93.4Very high93.7Very high123 Ų12356.4 Ų56.466%0.65828%0.283SS*.THydrogen-bonded Turntrans-86.3-9.4169.670-40.1000113.3K101K101-N103 WeakPolarHBondContact CB-OD1 3.43Å; K101-N103 PolarHBondContact O-N 3.28Å
104L94.2Very high94Very high41 Ų4157.6 Ų57.622%0.21528%0.284CS..  trans-79.7168.7168.9-54.7175.6000110R11 D99 W100 K101 H108R11-L104 PolarHBondContact NH2-O 3.28Å; D99-L104 WeakPolarHBondContact O-CD1 3.38Å; W100-L104 HydrophobicContact CE3-CB 3.96Å; W100-L104 HydrophobicContact CE3-CD1 4.4Å; W100-L104 HydrophobicContact CH2-CB 4.2Å; W100-L104 WeakPolarHBondContact CH2-O 3.47Å; W100-L104 HydrophobicContact CZ3-CB 3.69Å; K101-L104 HydrophobicContact CB-CD1 4.13Å; K101-L104 HydrophobicContact CB-CG 4.09Å; K101-L104 WeakPolarHBondContact O-CA 3.33Å; K101-L104 WeakPolarHBondContact O-CB 3.3Å; K101-L104 WeakPolarHBondContact O-CG 3.29Å; K101-L104 PolarHBondContact O-N 3.4Å; L104-H108 HydrophobicContact CB-CB 3.99Å; L104-H108 HydrophobicContact CD2-CB 4.46Å
105G93Very high94.2Very high12 Ų1255.2 Ų55.212%0.12428%0.276CS..  trans-146.7-169-175.200000113.8E15 Y66 R107 H108 I109E15-G105 WeakPolarHBondContact OE2-CA 3.45Å; Y66-G105 WeakPolarHBondContact OH-CA 3.42Å; G105-R107 PolarHBondContact O-N 3.12Å; G105-H108 WeakPolarHBondContact O-CB 3.3Å; G105-H108 PolarHBondContact O-N 3.23Å; G105-I109 PolarHBondContact O-N 2.74Å
106L94.1Very high94.5Very high3 Ų355.1 Ų55.12%0.01628%0.275CS..Hα-helixtrans-50-43.3179-60.5-175.8000111.8E15 L29 V39 M60 I62 P71 H108 I109 L110E15-L106 WeakPolarHBondContact OE2-CG 3.28Å; E15-L106 PolarHBondContact OE2-N 2.95Å; L29-L106 HydrophobicContact CD2-CD1 4.37Å; V39-L106 HydrophobicContact CG2-CD1 4.46Å; M60-L106 HydrophobicContact CE-CB 4.47Å; M60-L106 HydrophobicContact CE-CD2 4Å; I62-L106 HydrophobicContact CD1-CD2 3.64Å; P71-L106 HydrophobicContact CG-CD2 4Å; L106-H108 VanDerWaalsContact C-N 3.28Å; L106-H108 PolarHBondContact O-N 3.23Å; L106-I109 PolarHBondContact O-N 2.92Å; L106-L110 WeakPolarHBondContact O-CB 3.44Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 3Å
107R95.1Very high94.8Very high81 Ų8155 Ų5531%0.30627%0.274SS..Hα-helixtrans-51.4-45.6176.1175.8176.1-58.7-83.93.9112.4D18 E22 I24 G105 L111D18-R107 PolarHBondContact O-NH2 3.41Å; E22-R107 PolarHBondContact O-NH1 3.19Å; E22-R107 VanDerWaalsContact O-NH1 3.09Å; E22-R107 PolarHBondContact O-NH2 2.99Å; I24-R107 HydrophobicContact CD1-CG 4.02Å; I24-R107 VanDerWaalsContact CG1-NH1 3.27Å; G105-R107 PolarHBondContact O-N 3.12Å; R107-L111 HydrophobicContact CG-CD1 4.18Å; R107-L111 WeakPolarHBondContact O-CG 3.42Å; R107-L111 PolarHBondContact O-N 2.75Å; R107-L111 VanDerWaalsContact O-N 3.09Å
108H95.3Very high95.1Very high55 Ų5553.9 Ų53.926%0.25527%0.272SS..Hα-helixtrans-66.7-48.2-178.2178.680.7000110.9L104 G105 L106 L110 L111 T112L104-H108 HydrophobicContact CB-CB 3.99Å; L104-H108 HydrophobicContact CD2-CB 4.46Å; G105-H108 WeakPolarHBondContact O-CB 3.3Å; G105-H108 PolarHBondContact O-N 3.23Å; L106-H108 VanDerWaalsContact C-N 3.28Å; L106-H108 PolarHBondContact O-N 3.23Å; H108-L110 VanDerWaalsContact C-N 3.31Å; H108-L110 PolarHBondContact O-N 3.33Å; H108-L111 PolarHBondContact O-N 3.32Å; H108-L111 VanDerWaalsContact O-N 3.17Å; H108-T112 PolarHBondContact O-N 2.87Å; H108-T112 PolarHBondContact O-OG1 3.08Å; H108-T112 VanDerWaalsContact O-OG1 3.05Å
109I95.8Very high95.3Very high0 Ų054 Ų540%028%0.275CS..Hα-helixtrans-58.2-44.4178-65-64.6000111.5M60 P70 P71 L96 W100 G105 L106 L111 T112 I113M60-I109 HydrophobicContact SD-CG2 4.03Å; P70-I109 HydrophobicContact CB-CD1 3.91Å; P71-I109 HydrophobicContact CG-CG1 4.32Å; L96-I109 HydrophobicContact CB-CD1 4.5Å; L96-I109 HydrophobicContact CD2-CG2 4.45Å; W100-I109 HydrophobicContact CE3-CD1 3.67Å; W100-I109 HydrophobicContact CE3-CG1 4.12Å; W100-I109 HydrophobicContact CH2-CG1 4.44Å; W100-I109 HydrophobicContact CZ3-CD1 3.75Å; W100-I109 HydrophobicContact CZ3-CG1 3.64Å; G105-I109 PolarHBondContact O-N 2.74Å; L106-I109 PolarHBondContact O-N 2.92Å; I109-L111 VanDerWaalsContact C-N 3.33Å; I109-L111 PolarHBondContact O-N 3.25Å; I109-T112 PolarHBondContact O-N 3.33Å; I109-I113 HydrophobicContact CG2-CD1 3.84Å; I109-I113 HydrophobicContact CG2-CG1 4.49Å; I109-I113 WeakPolarHBondContact O-CG1 3.33Å; I109-I113 PolarHBondContact O-N 2.81Å
110L96.7Very high95.6Very high0 Ų050 Ų500%026%0.255CS..Hα-helixtrans-62.5-40.1179-68.8170000112F19 I27 L29 V41 F43 M60 L106 H108 R114F19-L110 HydrophobicContact CD2-CD1 4.06Å; F19-L110 HydrophobicContact CE2-CD1 3.46Å; F19-L110 VanDerWaalsContact CE2-CD1 3.46Å; F19-L110 HydrophobicContact CZ-CD1 4.02Å; I27-L110 HydrophobicContact CD1-CB 4.25Å; I27-L110 HydrophobicContact CG2-CD1 4.27Å; I27-L110 HydrophobicContact CG2-CD2 4.29Å; L29-L110 HydrophobicContact CD1-CD1 4.03Å; V41-L110 HydrophobicContact CB-CD2 4.33Å; V41-L110 HydrophobicContact CG1-CD2 3.64Å; V41-L110 HydrophobicContact CG2-CD2 3.76Å; F43-L110 WeakPolarHBondContact CE1-O 3.33Å; F43-L110 HydrophobicContact CE2-CD2 3.94Å; F43-L110 HydrophobicContact CZ-CB 4.2Å; F43-L110 HydrophobicContact CZ-CD2 3.71Å; F43-L110 WeakPolarHBondContact CZ-O 3.27Å; M60-L110 HydrophobicContact CE-CD1 4.34Å; M60-L110 HydrophobicContact CE-CD2 3.9Å; M60-L110 HydrophobicContact CE-CG 4.17Å; M60-L110 HydrophobicContact SD-CD2 3.76Å; M60-L110 HydrophobicContact SD-CG 4.18Å; L106-L110 WeakPolarHBondContact O-CB 3.44Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 3Å; H108-L110 VanDerWaalsContact C-N 3.31Å; H108-L110 PolarHBondContact O-N 3.33Å; L110-R114 PolarHBondContact O-N 3.05Å
111L96Very high95.5Very high67 Ų6750.1 Ų50.135%0.35126%0.258SS..Hα-helixtrans-67.3-42.5174.1-72.3172.9000111.9I24 R107 H108 I109 I113 R114 C115I24-L111 HydrophobicContact CD1-CD1 4.43Å; I24-L111 HydrophobicContact CD1-CD2 3.91Å; I24-L111 HydrophobicContact CD1-CG 3.93Å; I24-L111 HydrophobicContact CG2-CD2 4.11Å; R107-L111 HydrophobicContact CG-CD1 4.18Å; R107-L111 WeakPolarHBondContact O-CG 3.42Å; R107-L111 PolarHBondContact O-N 2.75Å; R107-L111 VanDerWaalsContact O-N 3.09Å; H108-L111 PolarHBondContact O-N 3.32Å; H108-L111 VanDerWaalsContact O-N 3.17Å; I109-L111 VanDerWaalsContact C-N 3.33Å; I109-L111 PolarHBondContact O-N 3.25Å; L111-I113 VanDerWaalsContact C-N 3.33Å; L111-I113 PolarHBondContact O-N 3.29Å; L111-R114 WeakPolarHBondContact O-CB 3.19Å; L111-R114 PolarHBondContact O-N 3.23Å; L111-C115 PolarHBondContact O-N 3.44Å; L111-C115 PolarHBondContact O-SG 2.93Å
112T96.1Very high95.3Very high32 Ų3246 Ų4620%0.19625%0.245CC..Hα-helixtrans-58.4-45.3175.7-58.20000111.3L96 H108 I109 R114 C115 L116L96-T112 HydrophobicContact CD2-CG2 4.21Å; H108-T112 PolarHBondContact O-N 2.87Å; H108-T112 PolarHBondContact O-OG1 3.08Å; H108-T112 VanDerWaalsContact O-OG1 3.05Å; I109-T112 PolarHBondContact O-N 3.33Å; T112-R114 PolarHBondContact O-N 2.88Å; T112-C115 PolarHBondContact O-N 3.49Å; T112-L116 WeakPolarHBondContact O-CG 3.43Å; T112-L116 PolarHBondContact O-N 3.43Å
113I97.4Very high95.2Very high2 Ų250.6 Ų50.61%0.0126%0.259CS..Hα-helixtrans-62.7-43176.2-65.7165.8000111F43 L58 A73 F75 V91 L96 I109 L111 C115 L116 L117F43-I113 HydrophobicContact CE2-CG2 4.04Å; F43-I113 HydrophobicContact CZ-CB 4.14Å; F43-I113 HydrophobicContact CZ-CG2 4.04Å; L58-I113 HydrophobicContact CD1-CD1 4.23Å; L58-I113 HydrophobicContact CD1-CG2 4.36Å; A73-I113 HydrophobicContact CB-CD1 3.56Å; F75-I113 HydrophobicContact CE2-CG2 3.97Å; F75-I113 HydrophobicContact CZ-CG2 3.99Å; V91-I113 HydrophobicContact CG1-CG1 4.44Å; L96-I113 HydrophobicContact CD2-CD1 4.5Å; L96-I113 HydrophobicContact CD2-CG1 3.92Å; I109-I113 HydrophobicContact CG2-CD1 3.84Å; I109-I113 HydrophobicContact CG2-CG1 4.49Å; I109-I113 WeakPolarHBondContact O-CG1 3.33Å; I109-I113 PolarHBondContact O-N 2.81Å; L111-I113 VanDerWaalsContact C-N 3.33Å; L111-I113 PolarHBondContact O-N 3.29Å; I113-C115 VanDerWaalsContact C-N 3.32Å; I113-C115 PolarHBondContact O-N 3.18Å; I113-L116 WeakPolarHBondContact O-CB 3.44Å; I113-L116 PolarHBondContact O-N 2.84Å; I113-L117 PolarHBondContact O-N 2.88Å
114R96.9Very high95.2Very high58 Ų5846 Ų4622%0.21924%0.237CC..Hα-helixtrans-60.3-42.6175.3-172.1179.4179.21696.4111.9E25 F43 P46 L110 L111 T112 L116 L117 I118E25-R114 PolarHBondContact O-NH1 2.85Å; F43-R114 HydrophobicContact CE1-CB 3.98Å; P46-R114 HydrophobicContact CG-CG 4.21Å; L110-R114 PolarHBondContact O-N 3.05Å; L111-R114 WeakPolarHBondContact O-CB 3.19Å; L111-R114 PolarHBondContact O-N 3.23Å; T112-R114 PolarHBondContact O-N 2.88Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 3.25Å; R114-L117 PolarHBondContact O-N 3.44Å; R114-I118 HydrophobicContact CG-CD1 4.47Å; R114-I118 PolarHBondContact O-N 3.17Å
115C96.2Very high95.3Very high67 Ų6745.8 Ų45.845%0.45324%0.24SC..Hα-helixtrans-61.9-38.4177.8-70.50000111.4L111 T112 I113 L117 I118 E119L111-C115 PolarHBondContact O-N 3.44Å; L111-C115 PolarHBondContact O-SG 2.93Å; T112-C115 PolarHBondContact O-N 3.49Å; I113-C115 VanDerWaalsContact C-N 3.32Å; I113-C115 PolarHBondContact O-N 3.18Å; C115-L117 VanDerWaalsContact C-N 3.31Å; C115-L117 PolarHBondContact O-N 3.04Å; C115-I118 WeakPolarHBondContact O-CB 3.41Å; C115-I118 PolarHBondContact O-N 3.09Å; C115-E119 PolarHBondContact O-N 2.86Å
116L96.5Very high95.5Very high15 Ų1548.5 Ų48.58%0.07925%0.252CS..Hα-helixtrans-60.5-40.4175.1-69169000112.5H81 N83 V91 T95 T112 I113 R114 I118 E119 P120 N121H81-L116 PolarHBondContact NE2-O 2.87Å; N83-L116 HydrophobicContact CB-CD1 4.5Å; V91-L116 HydrophobicContact CG1-CD1 4.1Å; T95-L116 HydrophobicContact CG2-CD1 3.65Å; T95-L116 HydrophobicContact CG2-CD2 3.58Å; T95-L116 HydrophobicContact CG2-CG 4.07Å; T112-L116 WeakPolarHBondContact O-CG 3.43Å; T112-L116 PolarHBondContact O-N 3.43Å; I113-L116 WeakPolarHBondContact O-CB 3.44Å; I113-L116 PolarHBondContact O-N 2.84Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 3.25Å; L116-I118 PolarHBondContact O-N 3.27Å; L116-E119 CarbonylContact O-C 3.56Å; L116-E119 VanDerWaalsContact O-C 3.24Å; L116-E119 PolarHBondContact O-N 3.24Å; L116-P120 WeakPolarHBondContact O-CA 3.42Å; L116-N121 HydrophobicContact CD2-CB 4.38Å
117L97.7Very high95.7Very high3 Ų349 Ų492%0.01626%0.255CS..Hα-helixtrans-63.8-23.2176.1-61.2-176.9000113.1P46 T49 Y51 F75 I79 I84 I113 R114 C115P46-L117 HydrophobicContact CG-CB 4Å; T49-L117 WeakPolarHBondContact CG2-O 3.39Å; Y51-L117 HydrophobicContact CD2-CB 4.08Å; Y51-L117 HydrophobicContact CD2-CD2 4.31Å; Y51-L117 WeakPolarHBondContact CD2-O 3.46Å; Y51-L117 HydrophobicContact CE2-CB 4.36Å; Y51-L117 HydrophobicContact CE2-CD2 4.25Å; Y51-L117 WeakPolarHBondContact CE2-O 3.49Å; F75-L117 HydrophobicContact CZ-CD1 4.42Å; F75-L117 HydrophobicContact CZ-CD2 4.18Å; I79-L117 HydrophobicContact CD1-CD2 3.62Å; I84-L117 HydrophobicContact CD1-CD2 4.42Å; I113-L117 PolarHBondContact O-N 2.88Å; R114-L117 PolarHBondContact O-N 3.44Å; C115-L117 VanDerWaalsContact C-N 3.31Å; C115-L117 PolarHBondContact O-N 3.04Å
118I97.2Very high95.8Very high77 Ų7753.3 Ų53.340%0.39528%0.278SS..Hα-helixtrans-87.5-44.8176.9-62.8168000110.4P46 T49 R114 C115 L116P46-I118 HydrophobicContact CB-CD1 4.17Å; P46-I118 HydrophobicContact CB-CG1 3.68Å; P46-I118 HydrophobicContact CG-CD1 4.41Å; P46-I118 HydrophobicContact CG-CG1 3.87Å; T49-I118 HydrophobicContact CG2-CG1 4.26Å; R114-I118 HydrophobicContact CG-CD1 4.47Å; R114-I118 PolarHBondContact O-N 3.17Å; C115-I118 WeakPolarHBondContact O-CB 3.41Å; C115-I118 PolarHBondContact O-N 3.09Å; L116-I118 PolarHBondContact O-N 3.27Å
119E96.1Very high95.9Very high154 Ų15454.9 Ų54.972%0.7229%0.286SS*.SBendtrans-136.490.8-174.6-171.3168.7-164.100109.3C115 L116C115-E119 PolarHBondContact O-N 2.86Å; L116-E119 CarbonylContact O-C 3.56Å; L116-E119 VanDerWaalsContact O-C 3.24Å; L116-E119 PolarHBondContact O-N 3.24Å
120P96.4Very high96Very high24 Ų2454.9 Ų54.916%0.15629%0.286CS..  trans-64.3148.8178.3-22.233.3000111.9P82 L116 P122 L134 F141P82-P120 HydrophobicContact CB-CB 4.29Å; P82-P120 HydrophobicContact CG-CB 3.71Å; P82-P120 HydrophobicContact CG-CG 4.39Å; L116-P120 WeakPolarHBondContact O-CA 3.42Å; P120-P122 VanDerWaalsContact O-CD 3.32Å; P120-P122 WeakPolarHBondContact O-CD 3.43Å; P120-L134 HydrophobicContact CB-CD1 4.41Å; P120-L134 HydrophobicContact CB-CD2 3.94Å; P120-L134 HydrophobicContact CG-CD1 4.17Å; P120-F141 HydrophobicContact CG-CZ 4.42Å
121N93.4Very high96Very high35 Ų3555.1 Ų55.119%0.18729%0.289CS..  trans-101.1102.5176.6179.89.6000111.2N83 L116 E123 S124N83-N121 PolarHBondContact ND2-O 3.09Å; N83-N121 PolarHBondContact OD1-N 2.87Å; L116-N121 HydrophobicContact CD2-CB 4.38Å; N121-E123 PolarHBondContact O-N 3.38Å; N121-E123 WeakPolarHBondContact OD1-CB 3.46Å; N121-E123 PolarHBondContact OD1-N 2.86Å; N121-E123 VanDerWaalsContact OD1-N 3.12Å; N121-S124 PolarHBondContact ND2-OG 2.97Å; N121-S124 PolarHBondContact O-N 2.74Å
122P91.6Very high96.1Very high49 Ų4956.7 Ų56.732%0.31829%0.293SS..G310 helixtrans-62-27.8-179.423.4-32.5000113.7P120 S124 A125 L134 L135P120-P122 VanDerWaalsContact O-CD 3.32Å; P120-P122 WeakPolarHBondContact O-CD 3.43Å; P122-S124 PolarHBondContact O-N 3.21Å; P122-A125 PolarHBondContact O-N 3.42Å; P122-L134 HydrophobicContact CB-CD2 4.18Å; P122-L134 HydrophobicContact CG-CD2 4.39Å; P122-L135 HydrophobicContact CB-CD1 4.05Å; P122-L135 HydrophobicContact CB-CD2 3.96Å; P122-L135 HydrophobicContact CB-CG 4.11Å; P122-L135 HydrophobicContact CG-CD2 4.05Å
123E90.9Very high96.2Very high164 Ų16456.1 Ų56.177%0.76629%0.288SS*.G310 helixtrans-69-14.9-178.9-58.4-177.1160.500113.5N121N121-E123 PolarHBondContact O-N 3.38Å; N121-E123 WeakPolarHBondContact OD1-CB 3.46Å; N121-E123 PolarHBondContact OD1-N 2.86Å; N121-E123 VanDerWaalsContact OD1-N 3.12Å
124S92.5Very high96.2Very high28 Ų2857.4 Ų57.420%0.19630%0.295CS..G310 helixtrans-124.531.7-177.5-660000111.7N83 T95 N121 P122 L126N83-S124 VanDerWaalsContact ND2-C 3.29Å; N83-S124 PolarHBondContact ND2-O 3.19Å; T95-S124 WeakPolarHBondContact OG1-CB 3.34Å; N121-S124 PolarHBondContact ND2-OG 2.97Å; N121-S124 PolarHBondContact O-N 2.74Å; P122-S124 PolarHBondContact O-N 3.21Å; S124-L126 PolarHBondContact O-N 3.24Å
125A95.8Very high96.2Very high35 Ų3560.5 Ų60.529%0.28932%0.315SS..  trans-64.8125179.800000111.4P82 P122P82-A125 HydrophobicContact CB-CB 4.29Å; P82-A125 CarbonylContact O-C 3.59Å; P82-A125 VanDerWaalsContact O-CA 3.24Å; P82-A125 WeakPolarHBondContact O-CA 3.33Å; P122-A125 PolarHBondContact O-N 3.42Å
126L97.8Very high96.3Very high70 Ų7064.2 Ų64.237%0.36633%0.326SS..SBendtrans-96.2-22.6166.4-63.5-175.7000111.7P82 A85 E90 C92 S124P82-L126 PolarHBondContact O-N 3.05Å; A85-L126 HydrophobicContact CB-CB 4.23Å; A85-L126 HydrophobicContact CB-CD1 4.14Å; E90-L126 WeakPolarHBondContact O-CD1 3.32Å; C92-L126 HydrophobicContact CB-CD1 3.9Å; C92-L126 HydrophobicContact CB-CD2 4.46Å; C92-L126 HydrophobicContact CB-CG 3.92Å; S124-L126 PolarHBondContact O-N 3.24Å
127N98Very high96.3Very high14 Ų1466.6 Ų66.68%0.07534%0.339CS..SBendtrans-104.898.7169.3-178-12.9000107.9H81 P82 E129 A130 G131H81-N127 WeakPolarHBondContact O-CB 3.49Å; P82-N127 PolarHBondContact O-N 3.36Å; N127-E129 VanDerWaalsContact C-N 3.29Å; N127-E129 PolarHBondContact O-N 2.76Å; N127-E129 PolarHBondContact OD1-N 3.4Å; N127-A130 HydrophobicContact CB-CB 3.96Å; N127-A130 VanDerWaalsContact CG-CB 3.49Å; N127-A130 WeakPolarHBondContact ND2-CB 3.46Å; N127-A130 PolarHBondContact O-N 2.89Å; N127-A130 PolarHBondContact OD1-N 3.02Å; N127-A130 VanDerWaalsContact OD1-N 3.13Å; N127-G131 PolarHBondContact O-N 3.27Å
128E97Very high96.3Very high170 Ų17073 Ų7379%0.79436%0.364SS*.Hα-helixtrans-59.8-39.6-177.2-66.3179.7-179.300112G131 K132E128-G131 PolarHBondContact O-N 3.18Å; E128-K132 WeakPolarHBondContact O-CB 3.37Å; E128-K132 PolarHBondContact O-N 2.92Å
129E97.6Very high96.4Very high88 Ų8873.4 Ų73.441%0.41137%0.373SS..Hα-helixtrans-66.1-48.6179.5-174.458.9-159.800111.3F80 N127 G131 K132 L133F80-E129 HydrophobicContact CZ-CG 4.3Å; N127-E129 VanDerWaalsContact C-N 3.29Å; N127-E129 PolarHBondContact O-N 2.76Å; N127-E129 PolarHBondContact OD1-N 3.4Å; E129-G131 VanDerWaalsContact C-N 3.27Å; E129-G131 PolarHBondContact O-N 2.99Å; E129-K132 PolarHBondContact O-N 2.84Å; E129-L133 HydrophobicContact CG-CD1 4.38Å; E129-L133 WeakPolarHBondContact O-CG 3.38Å; E129-L133 PolarHBondContact O-N 2.85Å
130A98.2Very high96.5Very high0 Ų070 Ų700%036%0.357CS..Hα-helixtrans-60.7-38.8175.200000111.8F80 P82 N127 L134 F141F80-A130 HydrophobicContact CD1-CB 4.01Å; F80-A130 HydrophobicContact CD2-CB 4.34Å; F80-A130 HydrophobicContact CE1-CB 3.56Å; F80-A130 HydrophobicContact CE2-CB 3.92Å; F80-A130 HydrophobicContact CG-CB 4.38Å; F80-A130 VanDerWaalsContact CZ-CA 3.41Å; F80-A130 HydrophobicContact CZ-CB 3.51Å; P82-A130 HydrophobicContact CG-CB 4.14Å; N127-A130 HydrophobicContact CB-CB 3.96Å; N127-A130 VanDerWaalsContact CG-CB 3.49Å; N127-A130 WeakPolarHBondContact ND2-CB 3.46Å; N127-A130 PolarHBondContact O-N 2.89Å; N127-A130 PolarHBondContact OD1-N 3.02Å; N127-A130 VanDerWaalsContact OD1-N 3.13Å; A130-L134 VanDerWaalsContact O-CB 3.28Å; A130-L134 WeakPolarHBondContact O-CB 3.21Å; A130-L134 PolarHBondContact O-N 3.4Å; A130-F141 HydrophobicContact CB-CE2 4.35Å
131G97.6Very high96.6Very high6 Ų669.1 Ų69.16%0.06235%0.351CS..Hα-helixtrans-64.5-41175.900000112.9N127 E128 E129 L135N127-G131 PolarHBondContact O-N 3.27Å; E128-G131 PolarHBondContact O-N 3.18Å; E129-G131 VanDerWaalsContact C-N 3.27Å; E129-G131 PolarHBondContact O-N 2.99Å; G131-L135 WeakPolarHBondContact O-CG 3.42Å; G131-L135 PolarHBondContact O-N 2.77Å
132K97.7Very high96.8Very high100 Ų10069 Ų6944%0.43535%0.351SS..Hα-helixtrans-66.2-52.1176.4-176.9-173.3172.2-167.10111.3E128 E129 L134 L135 E136E128-K132 WeakPolarHBondContact O-CB 3.37Å; E128-K132 PolarHBondContact O-N 2.92Å; E129-K132 PolarHBondContact O-N 2.84Å; K132-L134 VanDerWaalsContact C-N 3.28Å; K132-L134 PolarHBondContact O-N 2.77Å; K132-L135 PolarHBondContact O-N 3.05Å; K132-E136 WeakPolarHBondContact CE-OE2 3.39Å; K132-E136 HydrophobicContact CG-CG 4.28Å; K132-E136 IonicContact NZ-OE2 2.8Å; K132-E136 WeakPolarHBondContact O-CB 3.49Å; K132-E136 PolarHBondContact O-N 2.94Å
133L98Very high97.2Very high19 Ų1969 Ų6910%0.09936%0.355CS..Hα-helixtrans-59.7-39.1177.8-66.2-178.8000111.3F80 E129 L135 E136 D137 Y138 E140 F141 E144F80-L133 HydrophobicContact CE1-CD1 4.19Å; F80-L133 HydrophobicContact CZ-CD1 4.03Å; E129-L133 HydrophobicContact CG-CD1 4.38Å; E129-L133 WeakPolarHBondContact O-CG 3.38Å; E129-L133 PolarHBondContact O-N 2.85Å; L133-L135 PolarHBondContact O-N 3.36Å; L133-L135 VanDerWaalsContact O-N 3.14Å; L133-E136 PolarHBondContact O-N 3.23Å; L133-D137 HydrophobicContact CD2-CB 4.39Å; L133-D137 CarbonylContact O-C 3.57Å; L133-D137 WeakPolarHBondContact O-CA 3.45Å; L133-D137 PolarHBondContact O-N 3.35Å; L133-Y138 PolarHBondContact O-N 2.89Å; L133-E140 HydrophobicContact CD1-CB 4.46Å; L133-E140 HydrophobicContact CD1-CG 4.11Å; L133-E140 HydrophobicContact CD2-CB 4.23Å; L133-E140 HydrophobicContact CD2-CG 4.25Å; L133-F141 HydrophobicContact CB-CB 3.8Å; L133-E144 HydrophobicContact CD1-CG 4.48Å
134L97.5Very high97.5Very high29 Ų2964.2 Ų64.215%0.15233%0.333CS..Hα-helixtrans-53.7-37.1175.5-173.978.4000112.5P82 P120 P122 A130 K132 Y138 F141P82-L134 HydrophobicContact CG-CB 4.32Å; P82-L134 HydrophobicContact CG-CD2 4.06Å; P120-L134 HydrophobicContact CB-CD1 4.41Å; P120-L134 HydrophobicContact CB-CD2 3.94Å; P120-L134 HydrophobicContact CG-CD1 4.17Å; P122-L134 HydrophobicContact CB-CD2 4.18Å; P122-L134 HydrophobicContact CG-CD2 4.39Å; A130-L134 VanDerWaalsContact O-CB 3.28Å; A130-L134 WeakPolarHBondContact O-CB 3.21Å; A130-L134 PolarHBondContact O-N 3.4Å; K132-L134 VanDerWaalsContact C-N 3.28Å; K132-L134 PolarHBondContact O-N 2.77Å; L134-Y138 HydrophobicContact CD1-CD2 4.11Å; L134-Y138 HydrophobicContact CD1-CE2 4.06Å; L134-F141 HydrophobicContact CD1-CD1 3.89Å; L134-F141 HydrophobicContact CD1-CE1 3.76Å; L134-F141 HydrophobicContact CD1-CE2 4.49Å; L134-F141 HydrophobicContact CD1-CG 4.3Å; L134-F141 HydrophobicContact CD1-CZ 4.09Å
135L97Very high97.8Very high124 Ų12462.9 Ų62.965%0.64932%0.324SS*.Hα-helixtrans-91.1-37.7-176.5-65.9176.2000113.5P122 G131 K132 L133P122-L135 HydrophobicContact CB-CD1 4.05Å; P122-L135 HydrophobicContact CB-CD2 3.96Å; P122-L135 HydrophobicContact CB-CG 4.11Å; P122-L135 HydrophobicContact CG-CD2 4.05Å; G131-L135 WeakPolarHBondContact O-CG 3.42Å; G131-L135 PolarHBondContact O-N 2.77Å; K132-L135 PolarHBondContact O-N 3.05Å; L133-L135 PolarHBondContact O-N 3.36Å; L133-L135 VanDerWaalsContact O-N 3.14Å
136E97.4Very high97.9Very high144 Ų14466.3 Ų66.367%0.67333%0.329SS*.Hα-helixtrans-100.3-37-170.5-64.4-177.4-171.700113.2K132 L133K132-E136 WeakPolarHBondContact CE-OE2 3.39Å; K132-E136 HydrophobicContact CG-CG 4.28Å; K132-E136 IonicContact NZ-OE2 2.8Å; K132-E136 WeakPolarHBondContact O-CB 3.49Å; K132-E136 PolarHBondContact O-N 2.94Å; L133-E136 PolarHBondContact O-N 3.23Å
137D97.7Very high98Very high66 Ų6668.1 Ų68.135%0.35334%0.339SS..  trans-14680.3-179.2-167.1-23.1000111L133 S139 E140 F141L133-D137 HydrophobicContact CD2-CB 4.39Å; L133-D137 CarbonylContact O-C 3.57Å; L133-D137 WeakPolarHBondContact O-CA 3.45Å; L133-D137 PolarHBondContact O-N 3.35Å; D137-S139 PolarHBondContact O-N 3.27Å; D137-S139 VanDerWaalsContact O-N 3.13Å; D137-S139 WeakPolarHBondContact OD1-CB 3.2Å; D137-S139 PolarHBondContact OD1-N 2.77Å; D137-S139 VanDerWaalsContact OD1-N 3.08Å; D137-S139 PolarHBondContact OD1-OG 3.24Å; D137-E140 HydrophobicContact CB-CB 4.17Å; D137-E140 PolarHBondContact O-N 2.9Å; D137-E140 PolarHBondContact OD1-N 3.12Å; D137-F141 PolarHBondContact O-N 3.01Å
138Y97.4Very high98Very high137 Ų13770 Ų7054%0.53735%0.348SS..Hα-helixtrans-59.3-27.1179.5-174.5-104.5000112.5L133 L134 F141 V142L133-Y138 PolarHBondContact O-N 2.89Å; L134-Y138 HydrophobicContact CD1-CD2 4.11Å; L134-Y138 HydrophobicContact CD1-CE2 4.06Å; Y138-F141 AromaticContact CD2-CD1 3.97Å; Y138-F141 HydrophobicContact CD2-CD1 3.97Å; Y138-F141 AromaticContact CE2-CD1 3.83Å; Y138-F141 HydrophobicContact CE2-CD1 3.83Å; Y138-F141 HydrophobicContact CE2-CE1 4.18Å; Y138-V142 HydrophobicContact CD1-CG2 3.92Å; Y138-V142 HydrophobicContact CE1-CG2 3.51Å; Y138-V142 HydrophobicContact CE2-CG2 4.24Å; Y138-V142 HydrophobicContact CG-CG2 4.45Å; Y138-V142 WeakPolarHBondContact O-CG2 3.33Å; Y138-V142 PolarHBondContact O-N 3.26Å
139S98.3Very high98.1Very high85 Ų8561.9 Ų61.959%0.59431%0.311SS*.Hα-helixtrans-70.1-42.1-179.771.70000111.6D137 V142 A143D137-S139 PolarHBondContact O-N 3.27Å; D137-S139 VanDerWaalsContact O-N 3.13Å; D137-S139 WeakPolarHBondContact OD1-CB 3.2Å; D137-S139 PolarHBondContact OD1-N 2.77Å; D137-S139 VanDerWaalsContact OD1-N 3.08Å; D137-S139 PolarHBondContact OD1-OG 3.24Å; S139-V142 PolarHBondContact O-N 2.94Å; S139-A143 PolarHBondContact O-N 3.18Å
140E98.4Very high98.1Very high84 Ų8462.1 Ų62.139%0.39331%0.312SS..Hα-helixtrans-69.1-41174.8-166.160.5-150.600111.2L133 D137 V142 A143 E144L133-E140 HydrophobicContact CD1-CB 4.46Å; L133-E140 HydrophobicContact CD1-CG 4.11Å; L133-E140 HydrophobicContact CD2-CB 4.23Å; L133-E140 HydrophobicContact CD2-CG 4.25Å; D137-E140 HydrophobicContact CB-CB 4.17Å; D137-E140 PolarHBondContact O-N 2.9Å; D137-E140 PolarHBondContact OD1-N 3.12Å; E140-V142 VanDerWaalsContact C-N 3.28Å; E140-V142 PolarHBondContact O-N 3.28Å; E140-A143 PolarHBondContact O-N 2.98Å; E140-A143 VanDerWaalsContact O-N 3.07Å; E140-E144 PolarHBondContact O-N 3.34Å
141F98.5Very high98Very high4 Ų465.3 Ų65.32%0.01833%0.331CS..Hα-helixtrans-52.2-47.6172.1168.5-103.2000111.8P50 F80 P82 P120 A130 L133 L134 D137 Y138 A145P50-F141 HydrophobicContact CG-CE1 4.29Å; F80-F141 HydrophobicContact CD1-CD2 4.12Å; F80-F141 HydrophobicContact CD1-CE2 4.15Å; F80-F141 AromaticContact CE1-CD2 3.83Å; F80-F141 HydrophobicContact CE1-CD2 3.83Å; F80-F141 HydrophobicContact CE1-CE2 4.26Å; P82-F141 HydrophobicContact CG-CE2 4.16Å; P120-F141 HydrophobicContact CG-CZ 4.42Å; A130-F141 HydrophobicContact CB-CE2 4.35Å; L133-F141 HydrophobicContact CB-CB 3.8Å; L134-F141 HydrophobicContact CD1-CD1 3.89Å; L134-F141 HydrophobicContact CD1-CE1 3.76Å; L134-F141 HydrophobicContact CD1-CE2 4.49Å; L134-F141 HydrophobicContact CD1-CG 4.3Å; L134-F141 HydrophobicContact CD1-CZ 4.09Å; D137-F141 PolarHBondContact O-N 3.01Å; Y138-F141 AromaticContact CD2-CD1 3.97Å; Y138-F141 HydrophobicContact CD2-CD1 3.97Å; Y138-F141 AromaticContact CE2-CD1 3.83Å; Y138-F141 HydrophobicContact CE2-CD1 3.83Å; Y138-F141 HydrophobicContact CE2-CE1 4.18Å; F141-A145 WeakPolarHBondContact O-CB 3.44Å; F141-A145 PolarHBondContact O-N 3.35Å
142V98.5Very high98.1Very high33 Ų3368 Ų6820%0.234%0.342CS..Hα-helixtrans-64.9-40.8178.7170.10000111.2P50 Y138 S139 E140 R146P50-V142 HydrophobicContact CB-CG1 4.43Å; P50-V142 HydrophobicContact CG-CB 4.24Å; P50-V142 HydrophobicContact CG-CG1 4.15Å; P50-V142 HydrophobicContact CG-CG2 3.94Å; Y138-V142 HydrophobicContact CD1-CG2 3.92Å; Y138-V142 HydrophobicContact CE1-CG2 3.51Å; Y138-V142 HydrophobicContact CE2-CG2 4.24Å; Y138-V142 HydrophobicContact CG-CG2 4.45Å; Y138-V142 WeakPolarHBondContact O-CG2 3.33Å; Y138-V142 PolarHBondContact O-N 3.26Å; S139-V142 PolarHBondContact O-N 2.94Å; E140-V142 VanDerWaalsContact C-N 3.28Å; E140-V142 PolarHBondContact O-N 3.28Å; V142-R146 WeakPolarHBondContact O-CB 3.48Å; V142-R146 PolarHBondContact O-N 3.42Å
143A98.6Very high98.1Very high48 Ų4863.3 Ų63.340%0.39732%0.321SS..Hα-helixtrans-63.6-50.2179.900000111.5S139 E140 R146 L147S139-A143 PolarHBondContact O-N 3.18Å; E140-A143 PolarHBondContact O-N 2.98Å; E140-A143 VanDerWaalsContact O-N 3.07Å; A143-R146 PolarHBondContact O-N 2.87Å; A143-L147 WeakPolarHBondContact O-CB 3.46Å; A143-L147 PolarHBondContact O-N 2.81Å
144E98.4Very high98Very high65 Ų6565.9 Ų65.930%0.30433%0.33SS..Hα-helixtrans-62.9-45.1177.7-69.2-159.6176.500112F80 L133 E140 R146 L147 L148F80-E144 HydrophobicContact CD1-CB 3.87Å; F80-E144 HydrophobicContact CE1-CB 3.87Å; F80-E144 WeakPolarHBondContact CE1-OE2 3.05Å; F80-E144 WeakPolarHBondContact CE2-OE2 3.43Å; F80-E144 HydrophobicContact CG-CB 4.34Å; F80-E144 HydrophobicContact CZ-CB 4.36Å; F80-E144 WeakPolarHBondContact CZ-OE2 3.47Å; L133-E144 HydrophobicContact CD1-CG 4.48Å; E140-E144 PolarHBondContact O-N 3.34Å; E144-R146 PolarHBondContact O-N 3.42Å; E144-L147 PolarHBondContact O-N 3.08Å; E144-L148 PolarHBondContact O-N 3.47Å
145A98.7Very high97.9Very high0 Ų066.5 Ų66.50%033%0.331CS..Hα-helixtrans-63.2-39.7178.600000112.9P50 Y51 F80 F141 T149P50-A145 HydrophobicContact CB-CB 3.52Å; P50-A145 HydrophobicContact CG-CB 4.18Å; Y51-A145 HydrophobicContact CE1-CB 3.97Å; F80-A145 HydrophobicContact CB-CB 4.4Å; F80-A145 HydrophobicContact CD1-CB 4.22Å; F141-A145 WeakPolarHBondContact O-CB 3.44Å; F141-A145 PolarHBondContact O-N 3.35Å; A145-T149 WeakPolarHBondContact O-CB 3.41Å; A145-T149 PolarHBondContact O-N 2.89Å; A145-T149 PolarHBondContact O-OG1 2.87Å
146R98.6Very high97.7Very high107 Ų10761.9 Ų61.940%0.40431%0.306SS..Hα-helixtrans-66.5-46.4175.4-177.9176.8-65.7-87.1-6.2111.4V142 A143 E144 L148 T149 E150V142-R146 WeakPolarHBondContact O-CB 3.48Å; V142-R146 PolarHBondContact O-N 3.42Å; A143-R146 PolarHBondContact O-N 2.87Å; E144-R146 PolarHBondContact O-N 3.42Å; R146-L148 VanDerWaalsContact C-N 3.34Å; R146-L148 PolarHBondContact O-N 3.22Å; R146-T149 WeakPolarHBondContact O-CB 3.31Å; R146-T149 PolarHBondContact O-N 3.1Å; R146-E150 WeakPolarHBondContact CG-OE1 3.36Å; R146-E150 WeakPolarHBondContact O-CG 3.34Å; R146-E150 PolarHBondContact O-N 3.14Å
147L98.4Very high97.4Very high108 Ų10857.8 Ų57.857%0.56529%0.291SS*.Hα-helixtrans-56.7-49.3177.9177.762.8000111.1A143 E144 T149 E150 V151A143-L147 WeakPolarHBondContact O-CB 3.46Å; A143-L147 PolarHBondContact O-N 2.81Å; E144-L147 PolarHBondContact O-N 3.08Å; L147-T149 VanDerWaalsContact C-N 3.29Å; L147-T149 PolarHBondContact O-N 2.78Å; L147-E150 PolarHBondContact O-N 3.5Å; L147-V151 HydrophobicContact CD1-CG2 4.37Å; L147-V151 VanDerWaalsContact O-CG2 3.32Å; L147-V151 WeakPolarHBondContact O-CG2 3.28Å; L147-V151 PolarHBondContact O-N 2.74Å
148L98.3Very high97.1Very high52 Ų5260.8 Ų60.827%0.27230%0.297SS..Hα-helixtrans-66.7-34.3-178.5-14869000111.9K78 F80 E144 R146 V151 H152K78-L148 HydrophobicContact CB-CD2 4.47Å; F80-L148 HydrophobicContact CB-CB 4.33Å; F80-L148 HydrophobicContact CB-CD2 3.88Å; E144-L148 PolarHBondContact O-N 3.47Å; R146-L148 VanDerWaalsContact C-N 3.34Å; R146-L148 PolarHBondContact O-N 3.22Å; L148-V151 PolarHBondContact O-N 2.79Å; L148-H152 WeakPolarHBondContact O-CB 3.44Å; L148-H152 PolarHBondContact O-CD2 2.91Å; L148-H152 PolarHBondContact O-N 3.43Å
149T98.6Very high96.6Very high1 Ų158.9 Ų58.91%0.00629%0.293CS..Hα-helixtrans-61.5-50.1173-63.10000111.5F56 A145 R146 L147 V151 H152 A153 Y154F56-T149 HydrophobicContact CE2-CG2 4.48Å; F56-T149 HydrophobicContact CZ-CG2 3.83Å; A145-T149 WeakPolarHBondContact O-CB 3.41Å; A145-T149 PolarHBondContact O-N 2.89Å; A145-T149 PolarHBondContact O-OG1 2.87Å; R146-T149 WeakPolarHBondContact O-CB 3.31Å; R146-T149 PolarHBondContact O-N 3.1Å; L147-T149 VanDerWaalsContact C-N 3.29Å; L147-T149 PolarHBondContact O-N 2.78Å; T149-V151 VanDerWaalsContact C-N 3.29Å; T149-V151 PolarHBondContact O-N 2.66Å; T149-H152 PolarHBondContact O-N 2.95Å; T149-A153 HydrophobicContact CG2-CB 4.01Å; T149-A153 WeakPolarHBondContact O-CA 3.05Å; T149-A153 VanDerWaalsContact O-CB 3.26Å; T149-A153 WeakPolarHBondContact O-CB 3.4Å; T149-A153 PolarHBondContact O-N 2.86Å; T149-Y154 HydrophobicContact CG2-CD2 4.4Å; T149-Y154 HydrophobicContact CG2-CE2 4.05Å
150E97.6Very high96.1Very high93 Ų9360.5 Ų60.544%0.43529%0.291SS..Hα-helixtrans-61.4-38.2179.4-71.9174.8-172.700112.1R146 L147 Y154 R158R146-E150 WeakPolarHBondContact CG-OE1 3.36Å; R146-E150 WeakPolarHBondContact O-CG 3.34Å; R146-E150 PolarHBondContact O-N 3.14Å; L147-E150 PolarHBondContact O-N 3.5Å; E150-Y154 HydrophobicContact CG-CE2 4.44Å; E150-R158 PolarHBondContact O-NH2 2.99Å
151V97.6Very high95.5Very high66 Ų6660.4 Ų60.440%0.430%0.296SS..Hα-helixtrans-71.4-45.7179.81750000111.7L147 L148 T149 R158L147-V151 HydrophobicContact CD1-CG2 4.37Å; L147-V151 VanDerWaalsContact O-CG2 3.32Å; L147-V151 WeakPolarHBondContact O-CG2 3.28Å; L147-V151 PolarHBondContact O-N 2.74Å; L148-V151 PolarHBondContact O-N 2.79Å; T149-V151 VanDerWaalsContact C-N 3.29Å; T149-V151 PolarHBondContact O-N 2.66Å; V151-R158 PolarHBondContact O-NH1 3.2Å; V151-R158 PolarHBondContact O-NH2 2.83Å
152H97.9Very high94.9Very high64 Ų6467.1 Ų67.130%0.29633%0.325SS..Hα-helixtrans-107-30.6-167-67.2-71.3000115.3T77 K78 L148 T149T77-H152 HydrophobicContact CG2-CB 4.02Å; T77-H152 WeakPolarHBondContact CG2-O 3.42Å; K78-H152 HydrophobicContact CB-CB 4.29Å; L148-H152 WeakPolarHBondContact O-CB 3.44Å; L148-H152 PolarHBondContact O-CD2 2.91Å; L148-H152 PolarHBondContact O-N 3.43Å; T149-H152 PolarHBondContact O-N 2.95Å
153A98.1Very high94.2Very high0 Ų070 Ų700%034%0.339CS..THydrogen-bonded Turntrans-97.8-11.4-171.400000113.8K55 F56 T77 T149 W155 H156K55-A153 PolarHBondContact N-O 3.27Å; K55-A153 WeakPolarHBondContact O-CA 3.41Å; K55-A153 WeakPolarHBondContact O-CB 3.38Å; F56-A153 HydrophobicContact CD1-CB 4.01Å; F56-A153 HydrophobicContact CD2-CB 4.4Å; F56-A153 HydrophobicContact CE1-CB 3.64Å; F56-A153 HydrophobicContact CE2-CB 4.04Å; F56-A153 HydrophobicContact CG-CB 4.38Å; F56-A153 HydrophobicContact CZ-CB 3.66Å; T77-A153 HydrophobicContact CG2-CB 4.1Å; T149-A153 HydrophobicContact CG2-CB 4.01Å; T149-A153 WeakPolarHBondContact O-CA 3.05Å; T149-A153 VanDerWaalsContact O-CB 3.26Å; T149-A153 WeakPolarHBondContact O-CB 3.4Å; T149-A153 PolarHBondContact O-N 2.86Å; A153-W155 PolarHBondContact O-N 3.48Å; A153-H156 PolarHBondContact O-ND1 2.91Å
154Y97Very high93.4Very high73 Ų7371.5 Ų71.529%0.28635%0.346SS..THydrogen-bonded Turntrans-85.120.6177-84.1-117.4000114D52 T149 E150 H156 V157 R158D52-Y154 PolarHBondContact O-OH 2.93Å; T149-Y154 HydrophobicContact CG2-CD2 4.4Å; T149-Y154 HydrophobicContact CG2-CE2 4.05Å; E150-Y154 HydrophobicContact CG-CE2 4.44Å; Y154-H156 PolarHBondContact O-N 3.49Å; Y154-V157 HydrophobicContact CD1-CG2 3.87Å; Y154-V157 PolarHBondContact O-N 2.8Å; Y154-R158 PolarHBondContact O-N 2.61Å
155W95.2Very high92.4Very high43 Ų4371.4 Ų71.416%0.16335%0.353CS..Hα-helixtrans-57.2-36.1179.855.6-95.1000112.8V42 K55 R57 A153 V157 R158 E159V42-W155 HydrophobicContact CG1-CZ2 4.02Å; K55-W155 HydrophobicContact CB-CZ2 3.61Å; K55-W155 HydrophobicContact CD-CH2 4.3Å; K55-W155 HydrophobicContact CD-CZ2 4.17Å; K55-W155 PolarHBondContact O-NE1 3.39Å; R57-W155 HydrophobicContact CG-CZ2 4.3Å; A153-W155 PolarHBondContact O-N 3.48Å; W155-V157 PolarHBondContact O-N 3.43Å; W155-R158 WeakPolarHBondContact O-CB 3.2Å; W155-R158 PolarHBondContact O-N 3.5Å; W155-E159 WeakPolarHBondContact CZ3-OE2 3.48Å; W155-E159 WeakPolarHBondContact O-CG 3.28Å; W155-E159 PolarHBondContact O-N 2.91Å
156H93Very high91.1Very high26 Ų2678 Ų7812%0.1238%0.383CS..Hα-helixtrans-67-34.1-178.565-80.4000112.8G53 K55 A153 Y154 E159 Q160G53-H156 PolarHBondContact O-CE1 3.05Å; G53-H156 VanDerWaalsContact O-CE1 3.24Å; K55-H156 HydrophobicContact CD-CB 3.84Å; K55-H156 WeakPolarHBondContact CG-ND1 3.34Å; A153-H156 PolarHBondContact O-ND1 2.91Å; Y154-H156 PolarHBondContact O-N 3.49Å; H156-E159 PolarHBondContact O-N 3.06Å; H156-Q160 VanDerWaalsContact O-CG 3.31Å; H156-Q160 WeakPolarHBondContact O-CG 3.39Å; H156-Q160 PolarHBondContact O-N 3.32Å
157V91.5Very high89.7Confident59 Ų5979.3 Ų79.336%0.35839%0.392SS..Hα-helixtrans-66.4-45.5173.6-1780000109.5Y154 W155 E159 Q160 T161Y154-V157 HydrophobicContact CD1-CG2 3.87Å; Y154-V157 PolarHBondContact O-N 2.8Å; W155-V157 PolarHBondContact O-N 3.43Å; V157-E159 VanDerWaalsContact C-N 3.27Å; V157-E159 PolarHBondContact O-N 3.49Å; V157-Q160 PolarHBondContact O-N 3.31Å; V157-T161 PolarHBondContact O-N 2.73Å; V157-T161 PolarHBondContact O-OG1 2.98Å
158R89.5Confident88.1Confident129 Ų12977.3 Ų77.349%0.48739%0.387SS..Hα-helixtrans-61.4-35.9178.4-59.7173.8-171.8159.17.1111.8E150 V151 Y154 W155 K162E150-R158 PolarHBondContact O-NH2 2.99Å; V151-R158 PolarHBondContact O-NH1 3.2Å; V151-R158 PolarHBondContact O-NH2 2.83Å; Y154-R158 PolarHBondContact O-N 2.61Å; W155-R158 WeakPolarHBondContact O-CB 3.2Å; W155-R158 PolarHBondContact O-N 3.5Å; R158-K162 WeakPolarHBondContact O-CG 3.2Å; R158-K162 PolarHBondContact O-N 3.14Å
159E88.8Confident86.1Confident96 Ų9681 Ų8145%0.44940%0.403SS..Hα-helixtrans-67.7-45.3174.2-75.9171.9-171.300112.2W155 H156 V157 T161 K162 I163W155-E159 WeakPolarHBondContact CZ3-OE2 3.48Å; W155-E159 WeakPolarHBondContact O-CG 3.28Å; W155-E159 PolarHBondContact O-N 2.91Å; H156-E159 PolarHBondContact O-N 3.06Å; V157-E159 VanDerWaalsContact C-N 3.27Å; V157-E159 PolarHBondContact O-N 3.49Å; E159-T161 PolarHBondContact O-N 2.8Å; E159-K162 PolarHBondContact O-N 2.95Å; E159-I163 WeakPolarHBondContact O-CG1 3.42Å; E159-I163 PolarHBondContact O-N 3.42Å; E159-I163 VanDerWaalsContact O-N 3.16Å
160Q86.1Confident84.1Confident119 Ų11988.8 Ų88.856%0.55644%0.436SS*.Hα-helixtrans-62.4-42.6177.4-71.3173.628.900112.3H156 V157 K162 I163 S164H156-Q160 VanDerWaalsContact O-CG 3.31Å; H156-Q160 WeakPolarHBondContact O-CG 3.39Å; H156-Q160 PolarHBondContact O-N 3.32Å; V157-Q160 PolarHBondContact O-N 3.31Å; Q160-K162 VanDerWaalsContact C-N 3.31Å; Q160-K162 PolarHBondContact O-N 3.49Å; Q160-I163 PolarHBondContact O-N 2.86Å; Q160-S164 PolarHBondContact O-N 3.22Å; Q160-S164 PolarHBondContact O-OG 2.84Å
161T86.7Confident82.2Confident82 Ų8289.6 Ų89.650%0.50344%0.444SS..Hα-helixtrans-60.6-38.9177.4-53.40000112.3V157 E159 S165V157-T161 PolarHBondContact O-N 2.73Å; V157-T161 PolarHBondContact O-OG1 2.98Å; E159-T161 PolarHBondContact O-N 2.8Å; T161-S165 WeakPolarHBondContact O-CB 3.46Å; T161-S165 PolarHBondContact O-N 2.69Å; T161-S165 PolarHBondContact O-OG 3.02Å
162K85.5Confident80.1Confident145 Ų14593 Ų9363%0.6346%0.456SS*.Hα-helixtrans-65.1-43.6176.6-73.3175-178.4-176.70111.8R158 E159 Q160 S165 Q166R158-K162 WeakPolarHBondContact O-CG 3.2Å; R158-K162 PolarHBondContact O-N 3.14Å; E159-K162 PolarHBondContact O-N 2.95Å; Q160-K162 VanDerWaalsContact C-N 3.31Å; Q160-K162 PolarHBondContact O-N 3.49Å; K162-S165 PolarHBondContact O-N 3.26Å; K162-Q166 WeakPolarHBondContact O-CG 3.43Å; K162-Q166 PolarHBondContact O-N 3.19Å; K162-Q166 VanDerWaalsContact O-N 3.17Å
163I84.3Confident78Confident95 Ų9598.4 Ų98.449%0.48748%0.48SS..Hα-helixtrans-64.4-43.6179-65.7165.5000110.7E159 Q160 Q166 K167E159-I163 WeakPolarHBondContact O-CG1 3.42Å; E159-I163 PolarHBondContact O-N 3.42Å; E159-I163 VanDerWaalsContact O-N 3.16Å; Q160-I163 PolarHBondContact O-N 2.86Å; I163-Q166 PolarHBondContact O-N 3.03Å; I163-K167 PolarHBondContact O-N 2.81Å
164S81.9Confident75.9Confident79 Ų79102.6 Ų102.655%0.55252%0.515SS*.Hα-helixtrans-64.2-41.7178.1-64.10000112.5Q160 Q166 K167 S168Q160-S164 PolarHBondContact O-N 3.22Å; Q160-S164 PolarHBondContact O-OG 2.84Å; S164-Q166 VanDerWaalsContact C-N 3.29Å; S164-Q166 PolarHBondContact O-N 3.41Å; S164-K167 PolarHBondContact O-N 3.49Å; S164-S168 PolarHBondContact O-N 3.45Å; S164-S168 PolarHBondContact O-OG 3.11Å
165S76.7Confident73.8Confident62 Ų62103.2 Ų103.243%0.43453%0.53SS..Hα-helixtrans-66.8-28.8178.7-53.50000113.1T161 K162 S168T161-S165 WeakPolarHBondContact O-CB 3.46Å; T161-S165 PolarHBondContact O-N 2.69Å; T161-S165 PolarHBondContact O-OG 3.02Å; K162-S165 PolarHBondContact O-N 3.26Å; S165-S168 PolarHBondContact O-OG 2.91Å
166Q71.1Confident71.8Confident138 Ų138107.2 Ų107.265%0.64556%0.559SS**Hα-helixtrans-77.1-29.6175.6-75.9-177.6-16.300113.2K162 I163 S164K162-Q166 WeakPolarHBondContact O-CG 3.43Å; K162-Q166 PolarHBondContact O-N 3.19Å; K162-Q166 VanDerWaalsContact O-N 3.17Å; I163-Q166 PolarHBondContact O-N 3.03Å; S164-Q166 VanDerWaalsContact C-N 3.29Å; S164-Q166 PolarHBondContact O-N 3.41Å
167K70.5Confident69.9Low136 Ų136113.2 Ų113.259%0.59159%0.592SS**Hα-helixtrans-70.9-45.1176.1-74.7-175.8177.4-176.70111.3I163 S164 H169 K170 D171I163-K167 PolarHBondContact O-N 2.81Å; S164-K167 PolarHBondContact O-N 3.49Å; K167-H169 VanDerWaalsContact C-N 3.29Å; K167-H169 PolarHBondContact O-N 3.31Å; K167-K170 PolarHBondContact O-N 3.48Å; K167-D171 PolarHBondContact O-N 3.48Å
168S63.2Low68.2Low65 Ų65118.3 Ų118.346%0.45561%0.614SS.*Hα-helixtrans-58.6-37.7178.2490000113.2S164 S165 K170 D171 E172S164-S168 PolarHBondContact O-N 3.45Å; S164-S168 PolarHBondContact O-OG 3.11Å; S165-S168 PolarHBondContact O-OG 2.91Å; S168-K170 VanDerWaalsContact C-N 3.31Å; S168-K170 PolarHBondContact O-N 2.87Å; S168-D171 PolarHBondContact O-N 3.23Å; S168-E172 PolarHBondContact O-N 3.5Å
169H58Low66.2Low130 Ų130117.8 Ų117.860%0.60263%0.63SS**Hα-helixtrans-71.7-20.3175.9-94.4-60.4000114.6K167K167-H169 VanDerWaalsContact C-N 3.29Å; K167-H169 PolarHBondContact O-N 3.31Å
170K56.9Low64.1Low164 Ų164116.8 Ų116.871%0.71365%0.645SS**Hα-helixtrans-83.6-28.7175.5-76.2-174.5175.8-175.20112.3K167 S168K167-K170 PolarHBondContact O-N 3.48Å; S168-K170 VanDerWaalsContact C-N 3.31Å; S168-K170 PolarHBondContact O-N 2.87Å
171D57.2Low62Low111 Ų111118.3 Ų118.359%0.59466%0.657SS**Hα-helixtrans-80.5-23.4-178.7-62.3-29.4000112.4K167 S168 H173 S175K167-D171 PolarHBondContact O-N 3.48Å; S168-D171 PolarHBondContact O-N 3.23Å; D171-H173 PolarHBondContact O-N 3.06Å; D171-S175 PolarHBondContact O-OG 3.08Å
172E53.5Low60.2Low138 Ų138118.8 Ų118.865%0.64566%0.664SS**THydrogen-bonded Turntrans-73.9-20175.7-76.6-176154.500114.2S168S168-E172 PolarHBondContact O-N 3.5Å
173H53.8Low58.4Low176 Ų176118.2 Ų118.282%0.81567%0.673SS**THydrogen-bonded Turntrans-94.6-3.3177.2-92-66.5000114.4D171D171-H173 PolarHBondContact O-N 3.06Å
174A54.5Low56.4Low88 Ų88120.8 Ų120.873%0.72769%0.688SS**SBendtrans-102.85.3-17900000114.1
175S52.5Low54.7Low87 Ų87124 Ų12461%0.60870%0.704SS**  trans-130.762.2-173.551.30000112.8D171D171-S175 PolarHBondContact O-OG 3.08Å
176V51.8Low52.9Low127 Ų127132 Ų13277%0.7773%0.725SS**  trans-12877.9161.3-172.10000107.5
177D53.7Low51.8Low152 Ų152132.7 Ų132.781%0.81374%0.738SS**  trans-165.2133.5156.2-100.4-30.4000111.7
178M56.6Low50.5Low165 Ų165135.1 Ų135.181%0.81375%0.751SS**  trans81.293.4165-57.3-65.2163.100119.4
179S46.2Very low49.8Very low118 Ų118137.3 Ų137.383%0.82577%0.767SS**  trans-36.9139148.646.60000116.1
180G44.7Very low49.1Very low75 Ų75140.7 Ų140.777%0.77378%0.78SS**  trans169.174.3167.400000117.7
181N42.5Very low48Very low151 Ų151139 Ų13981%0.80778%0.783SS**  trans47114.8140.4-142.725.3000122.8
182S49Very low46.9Very low92 Ų92140 Ų14064%0.64379%0.793SS**  80.7139.3128.3-76.30000124.9
183T47Very low46.1Very low133 Ų133141.9 Ų141.982%0.81680%0.802SS**  trans91.5100.1153.349.10000121.8
184D42.4Very low45.2Very low149 Ų149145.2 Ų145.280%0.79781%0.807SS**  trans17.8127.6132.2-84.9-39.6000120.4
185T47.9Very low44.5Very low146 Ų146148.2 Ų148.290%0.89681%0.811SS**  -171.7140.1111.619.70000112.7
186R38.8Very low43.6Very low232 Ų232151.7 Ų151.788%0.87582%0.823SS**  trans-75.9144.1177.8-69.9168.5169.6171.7-3.5112.2
187T47.5Very low43Very low151 Ų151151.2 Ų151.293%0.92683%0.825SS**  trans-157.3133.7142.14.80000114
188H42.6Very low42.6Very low187 Ų187149.1 Ų149.187%0.86682%0.823SS**  trans-80146.3177-89.9-76.5000113.3
189S48.6Very low42Very low112 Ų112149.4 Ų149.478%0.78382%0.82SS**  trans176.4107.2136.342.60000110.8
190K43Very low41.8Very low201 Ų201156.1 Ų156.187%0.87483%0.827SS**  73.498.194.4-80.1-170.7178.9179.70116.5
191V34.2Very low41.7Very low128 Ų128162.3 Ų162.378%0.77683%0.833SS**  23.9128.9125.2-177.20000118
192T35.4Very low41.4Very low132 Ų132159 Ų15981%0.8183%0.827SS**  -160.1115.6128.6-56.30000111.3
193Q34.8Very low41Very low177 Ų177161 Ų16183%0.82783%0.829SS**  trans-76142.4160.6-73173.2-39.800109.6
194R35.5Very low40.8Very low246 Ų246164.6 Ų164.693%0.92883%0.834SS**  trans-144.8130.2161.1-142.4169.1173.6170.8-3113.9
195N39.3Very low40.7Very low151 Ų151169.1 Ų169.181%0.80784%0.84SS**  trans-67.7151.8-166.8-67.9-28.1000116.7
196N33.4Very low40.4Very low160 Ų160174 Ų17486%0.85686%0.859SS**  trans-56.1126.9160.5-81-25.3000113.1
197S40.7Very low40.5Very low117 Ų117171.1 Ų171.182%0.81886%0.858SS**  trans-172.989.4150.850.30000112.4
198S45.7Very low40.2Very low109 Ų109172.1 Ų172.176%0.76285%0.854SS**  trans-160.2-1.4156.4880000118.3R200S198-R200 VanDerWaalsContact C-N 3.29Å; S198-R200 PolarHBondContact O-N 2.82Å
199F43.9Very low40Very low171 Ų171171.3 Ų171.375%0.7585%0.853SS**G310 helixtrans-76.23.9-164.3-138.2-97000117.4K201F199-K201 PolarHBondContact O-N 3.18Å
200R41.7Very low39.5Very low258 Ų258174.8 Ų174.897%0.97486%0.858SS**G310 helixtrans-88.318.8-173.8-76.9-170.8178.1175.5-1.1116.5S198S198-R200 VanDerWaalsContact C-N 3.29Å; S198-R200 PolarHBondContact O-N 2.82Å
201K42Very low39.3Very low205 Ų205173.1 Ų173.189%0.89186%0.857SS**G310 helixtrans-120.13.9-175.5-85.7-177.1177.7178.10117.5F199F199-K201 PolarHBondContact O-N 3.18Å
202A35.8Very low39.7Very low83 Ų83176.1 Ų176.169%0.68686%0.862SS**SBendtrans-102.2-4.4-169.600000117.6
203L40.3Very low40Very low133 Ų133179.3 Ų179.370%0.69687%0.866SS**  trans-100.614.1-169-105.1111.6000117.4
204K43.9Very low40.4Very low209 Ų209179.5 Ų179.591%0.90987%0.869SS**SBendtrans-99.119.9-178.2-78.7-168.4175.2-172.10115.8
205R40.2Very low40.8Very low244 Ų244173.9 Ų173.992%0.92186%0.864SS**  trans-142.223-171.9-79.4-169.2168.9179.2-4.1116.8
206L42.4Very low40.9Very low247 Ų247176 Ų176100%1.29387%0.869SS**  trans-121.70169.9-76.5165.2000110.3

Retrieved 206 of 206 residues in 359.8 ms (Link to these results)

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