A0A5K4FBR5_SCHMA Loading...

SID1 transmembrane family member 1

AlphaFold DB , UniProt , Accession A0A5K4FBR5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,058 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
1M59.4Low70.1Confident187 Ų187121.7 Ų121.792%0.92162%0.623SS**  0-62.90-120.8172.178.800113.6R3 L4 L5M1-R3 PolarHBondContact O-N 3.41Å; M1-L4 WeakPolarHBondContact O-CA 3.23Å; M1-L4 VanDerWaalsContact O-CB 3.31Å; M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-L5 HydrophobicContact CE-CD1 4.4Å; M1-L5 PolarHBondContact O-N 3.44Å
2I73.7Confident69.7Low131 Ų131117.7 Ų117.767%0.67261%0.608SS**Hα-helixtrans-55-43.3-173.4-63.5169.6000113.7L4 L5 F6I2-L4 VanDerWaalsContact C-N 3.28Å; I2-L4 PolarHBondContact O-N 2.86Å; I2-L5 PolarHBondContact O-N 2.87Å; I2-F6 HydrophobicContact CG2-CD2 4.25Å; I2-F6 PolarHBondContact O-N 3.27Å
3R68.4Low68.9Low228 Ų228113.6 Ų113.686%0.8660%0.597SS**Hα-helixtrans-62.9-29.8174.3-71.3-172.2178.3-175-0.2114M1 A7M1-R3 PolarHBondContact O-N 3.41Å; R3-A7 WeakPolarHBondContact O-CB 3.29Å; R3-A7 PolarHBondContact O-N 3.02Å
4L74.8Confident68.2Low117 Ų117111.6 Ų111.661%0.61360%0.595SS**Hα-helixtrans-75.7-39.6176.4-166.173000110.7M1 I2 A7 I8M1-L4 WeakPolarHBondContact O-CA 3.23Å; M1-L4 VanDerWaalsContact O-CB 3.31Å; M1-L4 WeakPolarHBondContact O-CB 3.33Å; M1-L4 PolarHBondContact O-N 3.47Å; I2-L4 VanDerWaalsContact C-N 3.28Å; I2-L4 PolarHBondContact O-N 2.86Å; L4-A7 PolarHBondContact O-N 3.37Å; L4-I8 HydrophobicContact CG-CD1 4.1Å; L4-I8 WeakPolarHBondContact O-CB 3.27Å; L4-I8 VanDerWaalsContact O-CG1 3.26Å; L4-I8 WeakPolarHBondContact O-CG1 3.26Å; L4-I8 PolarHBondContact O-N 3.34Å
5L73.1Confident67.5Low101 Ų101111.9 Ų111.953%0.52960%0.602SS.*Hα-helixtrans-62.9-41.3172-80159.6000111.8M1 I2 I8 A9M1-L5 HydrophobicContact CE-CD1 4.4Å; M1-L5 PolarHBondContact O-N 3.44Å; I2-L5 PolarHBondContact O-N 2.87Å; L5-I8 PolarHBondContact O-N 2.92Å; L5-A9 VanDerWaalsContact O-CB 3.27Å; L5-A9 WeakPolarHBondContact O-CB 3.46Å; L5-A9 PolarHBondContact O-N 3.24Å
6F74Confident66.7Low155 Ų155112 Ų11268%0.6860%0.601SS**Hα-helixtrans-64.3-42.1172.1-104.5-85.5000112.5I2 A9 F10I2-F6 HydrophobicContact CG2-CD2 4.25Å; I2-F6 PolarHBondContact O-N 3.27Å; F6-A9 PolarHBondContact O-N 3.25Å; F6-F10 VanDerWaalsContact O-CB 3.28Å; F6-F10 WeakPolarHBondContact O-CB 3.31Å; F6-F10 PolarHBondContact O-N 3.46Å
7A72.2Confident65.8Low57 Ų57113.4 Ų113.447%0.47160%0.601SS.*Hα-helixtrans-63.9-40.9176.500000112.4R3 L4 A11R3-A7 WeakPolarHBondContact O-CB 3.29Å; R3-A7 PolarHBondContact O-N 3.02Å; L4-A7 PolarHBondContact O-N 3.37Å; A7-A11 VanDerWaalsContact O-CB 3.25Å; A7-A11 WeakPolarHBondContact O-CB 3.42Å; A7-A11 PolarHBondContact O-N 3.47Å
8I75.1Confident65Low95 Ų95112 Ų11249%0.48760%0.599SS.*Hα-helixtrans-67.7-44.7175.6-67.6164.3000110.5L4 L5 F10 A11 V12L4-I8 HydrophobicContact CG-CD1 4.1Å; L4-I8 WeakPolarHBondContact O-CB 3.27Å; L4-I8 VanDerWaalsContact O-CG1 3.26Å; L4-I8 WeakPolarHBondContact O-CG1 3.26Å; L4-I8 PolarHBondContact O-N 3.34Å; L5-I8 PolarHBondContact O-N 2.92Å; I8-F10 VanDerWaalsContact C-N 3.34Å; I8-F10 PolarHBondContact O-N 3.29Å; I8-A11 PolarHBondContact O-N 2.87Å; I8-V12 HydrophobicContact CG2-CG2 4.29Å; I8-V12 WeakPolarHBondContact O-CB 3.15Å; I8-V12 VanDerWaalsContact O-CG2 3.23Å; I8-V12 WeakPolarHBondContact O-CG2 3.19Å; I8-V12 PolarHBondContact O-N 2.96Å
9A66.9Low64.4Low60 Ų60111.6 Ų111.650%0.49660%0.602SS.*Hα-helixtrans-61.6-40.9176.300000112.1L5 F6 S13L5-A9 VanDerWaalsContact O-CB 3.27Å; L5-A9 WeakPolarHBondContact O-CB 3.46Å; L5-A9 PolarHBondContact O-N 3.24Å; F6-A9 PolarHBondContact O-N 3.25Å; A9-S13 WeakPolarHBondContact O-CB 3.47Å; A9-S13 PolarHBondContact O-N 2.94Å
10F67.6Low64.1Low152 Ų152114.9 Ų114.967%0.66761%0.606SS**Hα-helixtrans-68.9-42.4177.3-155.8-89.5000111.7F6 I8 S13 C14F6-F10 VanDerWaalsContact O-CB 3.28Å; F6-F10 WeakPolarHBondContact O-CB 3.31Å; F6-F10 PolarHBondContact O-N 3.46Å; I8-F10 VanDerWaalsContact C-N 3.34Å; I8-F10 PolarHBondContact O-N 3.29Å; F10-S13 PolarHBondContact O-N 3.35Å; F10-C14 PolarHBondContact O-N 3.17Å; F10-C14 PolarHBondContact O-SG 3.44Å; F10-C14 VanDerWaalsContact O-SG 3.39Å
11A65.8Low63.9Low56 Ų56113 Ų11346%0.46360%0.602SS.*Hα-helixtrans-62.5-43.5174.400000112.1A7 I8 C14 V15A7-A11 VanDerWaalsContact O-CB 3.25Å; A7-A11 WeakPolarHBondContact O-CB 3.42Å; A7-A11 PolarHBondContact O-N 3.47Å; I8-A11 PolarHBondContact O-N 2.87Å; A11-C14 PolarHBondContact O-N 3.39Å; A11-V15 VanDerWaalsContact O-CG2 3.3Å; A11-V15 WeakPolarHBondContact O-CG2 3.35Å; A11-V15 PolarHBondContact O-N 2.85Å
12V65.2Low64.5Low73 Ų73106.1 Ų106.144%0.44258%0.576SS.*Hα-helixtrans-64.6-40.4175.3169.40000111I8 C14 V15 I16I8-V12 HydrophobicContact CG2-CG2 4.29Å; I8-V12 WeakPolarHBondContact O-CB 3.15Å; I8-V12 VanDerWaalsContact O-CG2 3.23Å; I8-V12 WeakPolarHBondContact O-CG2 3.19Å; I8-V12 PolarHBondContact O-N 2.96Å; V12-C14 PolarHBondContact O-N 3.06Å; V12-V15 PolarHBondContact O-N 3.49Å; V12-I16 HydrophobicContact CG1-CD1 3.5Å; V12-I16 HydrophobicContact CG1-CG1 4.26Å; V12-I16 WeakPolarHBondContact O-CB 3.3Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.25Å; V12-I16 PolarHBondContact O-N 2.9Å
13S60.1Low64.7Low65 Ų65103.9 Ų103.946%0.45557%0.568SS.*Hα-helixtrans-64.5-39175.7-146.90000112.4A9 F10 V15 I16 F17A9-S13 WeakPolarHBondContact O-CB 3.47Å; A9-S13 PolarHBondContact O-N 2.94Å; F10-S13 PolarHBondContact O-N 3.35Å; S13-V15 VanDerWaalsContact C-N 3.3Å; S13-V15 PolarHBondContact O-N 3.31Å; S13-I16 PolarHBondContact O-N 2.89Å; S13-F17 PolarHBondContact O-N 2.86Å
14C58.5Low65.5Low85 Ų8595.5 Ų95.557%0.57454%0.544SS*.Hα-helixtrans-68.6-24.3173.6-71.30000113.8F10 A11 V12F10-C14 PolarHBondContact O-N 3.17Å; F10-C14 PolarHBondContact O-SG 3.44Å; F10-C14 VanDerWaalsContact O-SG 3.39Å; A11-C14 PolarHBondContact O-N 3.39Å; V12-C14 PolarHBondContact O-N 3.06Å
15V57.4Low66.2Low116 Ų11697.3 Ų97.370%0.70355%0.55SS*.Hα-helixtrans-88.1-24.7177.4170.90000112.3A11 V12 S13A11-V15 VanDerWaalsContact O-CG2 3.3Å; A11-V15 WeakPolarHBondContact O-CG2 3.35Å; A11-V15 PolarHBondContact O-N 2.85Å; V12-V15 PolarHBondContact O-N 3.49Å; S13-V15 VanDerWaalsContact C-N 3.3Å; S13-V15 PolarHBondContact O-N 3.31Å
16I55.3Low67Low114 Ų11492.8 Ų92.859%0.58553%0.527SS*.Hα-helixtrans-82.8-22-179.3-72.2173.5000113.2V12 S13 P18V12-I16 HydrophobicContact CG1-CD1 3.5Å; V12-I16 HydrophobicContact CG1-CG1 4.26Å; V12-I16 WeakPolarHBondContact O-CB 3.3Å; V12-I16 VanDerWaalsContact O-CG1 3.29Å; V12-I16 WeakPolarHBondContact O-CG1 3.25Å; V12-I16 PolarHBondContact O-N 2.9Å; S13-I16 PolarHBondContact O-N 2.89Å; I16-P18 WeakPolarHBondContact O-CD 3.28Å
17F51.3Low67.8Low136 Ų13689.9 Ų89.960%0.59652%0.519SS*.  trans-113.361.5176.9-68.1-81.9000113.9S13 T19S13-F17 PolarHBondContact O-N 2.86Å; F17-T19 PolarHBondContact O-N 2.88Å; F17-T19 VanDerWaalsContact O-N 3.1Å
18P51.7Low68.8Low88 Ų8889.1 Ų89.157%0.57151%0.506SS*.  trans-69.8105162.131-29000108I16 Y20I16-P18 WeakPolarHBondContact O-CD 3.28Å; P18-Y20 PolarHBondContact O-N 2.98Å
19T53.4Low69.6Low105 Ų10589 Ų8964%0.64451%0.507SS*.  trans-57.2109.5170.150.40000108.4F17 S21F17-T19 PolarHBondContact O-N 2.88Å; F17-T19 VanDerWaalsContact O-N 3.1Å; T19-S21 PolarHBondContact O-N 3.33Å
20Y58.2Low70.8Confident176 Ų17690.1 Ų90.169%0.6950%0.502SS*.EExtended strand (participates in β ladder)trans-77.8102.6-169.3-144.4-91.1000108.7P18 A22 D39 K41P18-Y20 PolarHBondContact O-N 2.98Å; Y20-A22 PolarHBondContact O-N 2.77Å; Y20-D39 PolarHBondContact N-O 3.39Å; Y20-K41 PolarHBondContact O-N 2.96Å
21S60.8Low72.1Confident75 Ų7586.5 Ų86.552%0.52449%0.494SS..EExtended strand (participates in β ladder)trans-82.399.3176.457.80000109.8T19 T23 K41T19-S21 PolarHBondContact O-N 3.33Å; S21-T23 PolarHBondContact O-N 3.45Å; S21-K41 WeakPolarHBondContact CA-O 3.25Å
22A70.3Confident73.5Confident44 Ų4486 Ų8636%0.36448%0.48SS..EExtended strand (participates in β ladder)trans-87.498.2176.500000109.7Y20 K41 E43Y20-A22 PolarHBondContact O-N 2.77Å; A22-K41 PolarHBondContact N-O 3.21Å; A22-K41 VanDerWaalsContact N-O 3.07Å; A22-E43 PolarHBondContact O-N 2.94Å
23T79.3Confident74.9Confident84 Ų8487.1 Ų87.152%0.51548%0.484SS..EExtended strand (participates in β ladder)trans-85.1124.3171.9-48.60000110.1S21 E43 Q45S21-T23 PolarHBondContact O-N 3.45Å; T23-E43 CarbonylContact C-O 3.55Å; T23-E43 VanDerWaalsContact CA-O 3.28Å; T23-E43 WeakPolarHBondContact CA-O 3.42Å; T23-E43 HydrophobicContact CG2-CB 4.47Å; T23-Q45 HydrophobicContact CG2-CB 4.49Å
24S84.8Confident76.3Confident52 Ų5285.1 Ų85.136%0.36447%0.473SS..EExtended strand (participates in β ladder)trans-119.9133.2174.9-58.20000109.9E43 Y44 Q45S24-E43 PolarHBondContact N-O 3.4Å; S24-Y44 WeakPolarHBondContact O-CA 3.33Å; S24-Q45 PolarHBondContact O-N 3.03Å
25E88.6Confident77.8Confident154 Ų15484.2 Ų84.272%0.7246%0.46SS*.EExtended strand (participates in β ladder)trans-69140.1164.8-72-166.8138.600109.6Q45E25-Q45 WeakPolarHBondContact CA-O 3.38Å
26A90Very high79.2Confident7 Ų778.7 Ų78.76%0.05843%0.427CS..EExtended strand (participates in β ladder)trans-138.7143.9-172.400000111.6Y32 Y44 Q45 F46A26-Y32 HydrophobicContact CB-CD2 4.49Å; A26-Y32 HydrophobicContact CB-CE2 3.75Å; A26-Y44 HydrophobicContact CB-CD1 4.09Å; A26-Q45 PolarHBondContact N-O 3.43Å; A26-F46 HydrophobicContact CB-CD1 3.7Å; A26-F46 HydrophobicContact CB-CD2 4.49Å; A26-F46 HydrophobicContact CB-CE1 3.42Å; A26-F46 VanDerWaalsContact CB-CE1 3.42Å; A26-F46 HydrophobicContact CB-CE2 4.24Å; A26-F46 HydrophobicContact CB-CG 4.23Å; A26-F46 HydrophobicContact CB-CZ 3.71Å; A26-F46 WeakPolarHBondContact O-CA 3.37Å; A26-F46 WeakPolarHBondContact O-CD1 3.27Å
27N92.2Very high80.7Confident94 Ų9473.6 Ų73.650%0.50340%0.401SS..  trans-93.6151.3175.1-63.5-35.4000110.4E30 Y32 F46N27-E30 HydrophobicContact CB-CG 4.22Å; N27-E30 PolarHBondContact ND2-OE1 3.27Å; N27-Y32 PolarHBondContact N-OH 3.19Å; N27-F46 VanDerWaalsContact O-CE1 3.3Å; N27-F46 WeakPolarHBondContact O-CE1 3.36Å
28L91.8Very high82.2Confident40 Ų4071.6 Ų71.621%0.20939%0.394CS..THydrogen-bonded Turntrans-69.6157167.3-65.9174.4000110.3E30 F46 L48 F54 I56 A136L28-E30 PolarHBondContact O-N 3.07Å; L28-E30 VanDerWaalsContact O-N 3.14Å; L28-F46 HydrophobicContact CD2-CD1 4.02Å; L28-F46 HydrophobicContact CD2-CG 4.48Å; L28-L48 HydrophobicContact CD1-CD2 3.88Å; L28-F54 HydrophobicContact CD1-CD1 4.04Å; L28-F54 HydrophobicContact CD1-CE1 4.1Å; L28-I56 HydrophobicContact CD1-CD1 4.33Å; L28-I56 HydrophobicContact CD2-CD1 4.03Å; L28-I56 HydrophobicContact CD2-CG1 4.26Å; L28-I56 HydrophobicContact CD2-CG2 4.2Å; L28-A136 WeakPolarHBondContact CA-O 3.35Å; L28-A136 HydrophobicContact CD2-CB 4.07Å; L28-A136 WeakPolarHBondContact CD2-O 3.38Å
29D91.8Very high83.3Confident94 Ų9470.7 Ų70.750%0.50338%0.384SS..THydrogen-bonded Turntrans66.14.7177.4-50.7-48.1000115.2A136 Q137 L138D29-A136 PolarHBondContact N-O 2.74Å; D29-Q137 WeakPolarHBondContact OD1-CA 3.26Å; D29-Q137 WeakPolarHBondContact OD1-CB 3.4Å; D29-L138 PolarHBondContact OD1-N 2.82Å
30E93.7Very high84.5Confident83 Ų8369.6 Ų69.639%0.38837%0.372SS..  trans-100.4134.5172.6-73.6-180-167.200112.5N27 L28 Y32 L135N27-E30 HydrophobicContact CB-CG 4.22Å; N27-E30 PolarHBondContact ND2-OE1 3.27Å; L28-E30 PolarHBondContact O-N 3.07Å; L28-E30 VanDerWaalsContact O-N 3.14Å; E30-Y32 HydrophobicContact CB-CE2 4Å; E30-Y32 WeakPolarHBondContact O-CE2 3.22Å; E30-Y32 PolarHBondContact OE2-OH 2.92Å; E30-L135 WeakPolarHBondContact O-CD1 3.47Å
31P94.4Very high85.8Confident76 Ų7664.6 Ų64.649%0.49435%0.354SS..EExtended strand (participates in β ladder)trans-88.8120.917532.7-32000112.5M133 L135P31-M133 HydrophobicContact CB-CG 4.33Å; P31-M133 HydrophobicContact CB-SD 4.34Å; P31-L135 HydrophobicContact CB-CB 4.49Å; P31-L135 HydrophobicContact CB-CD1 4.4Å
32Y94.4Very high87.2Confident44 Ų4461.9 Ų61.917%0.17333%0.333CS..EExtended strand (participates in β ladder)trans-99.8115176.8-60.6-75.4000111.2A26 N27 E30 Y44 F46 M133 L134A26-Y32 HydrophobicContact CB-CD2 4.49Å; A26-Y32 HydrophobicContact CB-CE2 3.75Å; N27-Y32 PolarHBondContact N-OH 3.19Å; E30-Y32 HydrophobicContact CB-CE2 4Å; E30-Y32 WeakPolarHBondContact O-CE2 3.22Å; E30-Y32 PolarHBondContact OE2-OH 2.92Å; Y32-Y44 HydrophobicContact CD1-CE1 4.05Å; Y32-Y44 HydrophobicContact CD2-CD1 4.34Å; Y32-Y44 HydrophobicContact CD2-CE1 4.32Å; Y32-Y44 HydrophobicContact CG-CD1 4.2Å; Y32-Y44 AromaticContact CG-CE1 3.74Å; Y32-Y44 HydrophobicContact CG-CE1 3.74Å; Y32-F46 HydrophobicContact CE2-CE1 4.25Å; Y32-M133 CarbonylContact O-C 3.56Å; Y32-M133 WeakPolarHBondContact O-CA 3.32Å; Y32-L134 PolarHBondContact N-O 3.1Å; Y32-L134 PolarHBondContact O-N 2.97Å
33N93.9Very high88.2Confident98 Ų9861.4 Ų61.452%0.52432%0.323SS..EExtended strand (participates in β ladder)trans-97.4141.6175.1-67.1-68.6000110.9Y63 Y132 M133N33-Y63 PolarHBondContact OD1-OH 2.84Å; N33-Y132 WeakPolarHBondContact CA-O 3.22Å; N33-M133 WeakPolarHBondContact OD1-CB 3.22Å; N33-M133 WeakPolarHBondContact OD1-CG 3.33Å
34G90.2Very high88.9Confident22 Ų2258.3 Ų58.323%0.22730%0.302CS..EExtended strand (participates in β ladder)trans-160179.5-179.600000114.7R131 Y132G34-R131 WeakPolarHBondContact O-CA 3.37Å; G34-Y132 VanDerWaalsContact C-CE1 3.43Å; G34-Y132 PolarHBondContact N-O 2.92Å; G34-Y132 WeakPolarHBondContact O-CD1 3.39Å; G34-Y132 PolarHBondContact O-N 2.95Å
35E89.7Confident89.3Confident66 Ų6657.6 Ų57.631%0.30829%0.293SS..EExtended strand (participates in β ladder)trans-127.4137174.3-73-177.7170.500109.1K129 V130 R131E35-K129 HydrophobicContact CB-CB 4.21Å; E35-K129 HydrophobicContact CB-CD 3.84Å; E35-K129 VanDerWaalsContact OE2-CD 3.27Å; E35-K129 WeakPolarHBondContact OE2-CD 3.45Å; E35-K129 IonicContact OE2-NZ 3.33Å; E35-K129 PolarHBondContact OE2-NZ 3.47Å; E35-V130 WeakPolarHBondContact CA-O 3.34Å; E35-R131 HydrophobicContact CG-CG 3.61Å; E35-R131 IonicContact OE1-CZ 3.28Å; E35-R131 VanDerWaalsContact OE1-CZ 3.28Å; E35-R131 IonicContact OE1-NE 2.77Å; E35-R131 PolarHBondContact OE1-NE 2.93Å; E35-R131 IonicContact OE1-NH2 2.88Å; E35-R131 PolarHBondContact OE1-NH2 2.77Å
36I87.9Confident89.4Confident0 Ų050.3 Ų50.30%026%0.259CS..EExtended strand (participates in β ladder)trans-132.2147-178.1-162.5163.2000113I42 I71 L120 N122 K129 V130 Y132I36-I42 HydrophobicContact CB-CD1 4.32Å; I36-I42 HydrophobicContact CD1-CD1 4.14Å; I36-I42 HydrophobicContact CD1-CG1 4.15Å; I36-I42 HydrophobicContact CG1-CD1 4.25Å; I36-I71 HydrophobicContact CG2-CG1 4.4Å; I36-L120 VanDerWaalsContact CD1-C 3.47Å; I36-L120 HydrophobicContact CD1-CB 3.98Å; I36-L120 VanDerWaalsContact CD1-O 3.25Å; I36-L120 WeakPolarHBondContact CD1-O 3.29Å; I36-N122 HydrophobicContact CG2-CB 3.98Å; I36-K129 WeakPolarHBondContact O-CA 3.49Å; I36-V130 HydrophobicContact CG2-CB 4.46Å; I36-V130 PolarHBondContact N-O 3.05Å; I36-V130 PolarHBondContact O-N 2.82Å; I36-Y132 HydrophobicContact CB-CD1 4.27Å; I36-Y132 HydrophobicContact CB-CE1 4.12Å; I36-Y132 HydrophobicContact CG2-CD1 4.11Å; I36-Y132 HydrophobicContact CG2-CE1 4.44Å
37S85.5Confident89.5Confident8 Ų853.4 Ų53.46%0.05628%0.278CS..  trans-143.8169.8177.953.70000110.8D39 Q40S37-D39 PolarHBondContact O-N 2.96Å; S37-D39 VanDerWaalsContact O-N 3.07Å; S37-Q40 PolarHBondContact O-N 2.93Å
38Q82.9Confident89.4Confident94 Ų9449 Ų4944%0.43925%0.254SS..THydrogen-bonded Turntrans-49.4-37.2-175.1-175.4171.511.300114.9Q40 N122 I124Q38-Q40 VanDerWaalsContact C-N 3.29Å; Q38-Q40 PolarHBondContact O-N 3.05Å; Q38-N122 WeakPolarHBondContact CA-O 3.46Å; Q38-I124 VanDerWaalsContact CB-O 3.26Å; Q38-I124 WeakPolarHBondContact CB-O 3.39Å; Q38-I124 PolarHBondContact N-O 3.12Å
39D76.2Confident89.2Confident69 Ų6948.7 Ų48.737%0.36926%0.257SS..THydrogen-bonded Turntrans-80.7-9.7-174.1-47-14.3000113.5Y20 S37 P126Y20-D39 PolarHBondContact N-O 3.39Å; S37-D39 PolarHBondContact O-N 2.96Å; S37-D39 VanDerWaalsContact O-N 3.07Å; D39-P126 WeakPolarHBondContact OD2-CG 3.3Å
40Q78Confident88.8Confident81 Ų8152.2 Ų52.238%0.37928%0.276SS..EExtended strand (participates in β ladder)trans-118.8128.2-171.9-69.9-172.1-29.700111.6S37 Q38S37-Q40 PolarHBondContact O-N 2.93Å; Q38-Q40 VanDerWaalsContact C-N 3.29Å; Q38-Q40 PolarHBondContact O-N 3.05Å
41K84.7Confident88.4Confident72 Ų7255.6 Ų55.631%0.31329%0.285SS..EExtended strand (participates in β ladder)trans-118.2118.4172.6169.5165.8153.4153.50107.8Y20 S21 A22 E119Y20-K41 PolarHBondContact O-N 2.96Å; S21-K41 WeakPolarHBondContact CA-O 3.25Å; A22-K41 PolarHBondContact N-O 3.21Å; A22-K41 VanDerWaalsContact N-O 3.07Å; K41-E119 HydrophobicContact CD-CG 4.24Å; K41-E119 WeakPolarHBondContact CE-OE1 3.38Å; K41-E119 WeakPolarHBondContact CE-OE2 3.34Å; K41-E119 HydrophobicContact CG-CG 4.11Å; K41-E119 IonicContact NZ-OE1 2.67Å; K41-E119 PolarHBondContact NZ-OE1 3.17Å; K41-E119 IonicContact NZ-OE2 2.67Å; K41-E119 PolarHBondContact NZ-OE2 2.88Å
42I90.5Very high87.9Confident18 Ų1856.6 Ų56.69%0.09229%0.294CS..EExtended strand (participates in β ladder)trans-105.1127.8-173.4-55.9176.4000107.8I36 Y44 E119 L120 Y132I36-I42 HydrophobicContact CB-CD1 4.32Å; I36-I42 HydrophobicContact CD1-CD1 4.14Å; I36-I42 HydrophobicContact CD1-CG1 4.15Å; I36-I42 HydrophobicContact CG1-CD1 4.25Å; I42-Y44 HydrophobicContact CG2-CD2 4.06Å; I42-Y44 HydrophobicContact CG2-CE2 3.48Å; I42-Y44 VanDerWaalsContact CG2-CE2 3.48Å; I42-E119 WeakPolarHBondContact O-CA 3.37Å; I42-L120 PolarHBondContact N-O 2.8Å; I42-L120 VanDerWaalsContact N-O 3.1Å; I42-L120 PolarHBondContact O-N 2.82Å; I42-Y132 HydrophobicContact CD1-CE1 3.92Å; I42-Y132 VanDerWaalsContact CD1-OH 3.26Å; I42-Y132 WeakPolarHBondContact CD1-OH 3.36Å
43E91.8Very high87.7Confident33 Ų3356.6 Ų56.615%0.15430%0.296CS..EExtended strand (participates in β ladder)trans-123116.4-178.4-166.7174.8141.200110.3A22 T23 S24 K76 T117A22-E43 PolarHBondContact O-N 2.94Å; T23-E43 CarbonylContact C-O 3.55Å; T23-E43 VanDerWaalsContact CA-O 3.28Å; T23-E43 WeakPolarHBondContact CA-O 3.42Å; T23-E43 HydrophobicContact CG2-CB 4.47Å; S24-E43 PolarHBondContact N-O 3.4Å; E43-K76 IonicContact OE2-NZ 2.67Å; E43-T117 VanDerWaalsContact CD-CG2 3.43Å; E43-T117 HydrophobicContact CG-CG2 3.52Å; E43-T117 WeakPolarHBondContact OE1-CG2 3.47Å; E43-T117 PolarHBondContact OE1-OG1 2.97Å
44Y93.6Very high87.5Confident19 Ų1952.5 Ų52.58%0.07527%0.273CS..EExtended strand (participates in β ladder)trans-98.3124.2173.6-66.6-86.3000109.5S24 A26 Y32 I42 T117 V118 L120 Y132 L134S24-Y44 WeakPolarHBondContact O-CA 3.33Å; A26-Y44 HydrophobicContact CB-CD1 4.09Å; Y32-Y44 HydrophobicContact CD1-CE1 4.05Å; Y32-Y44 HydrophobicContact CD2-CD1 4.34Å; Y32-Y44 HydrophobicContact CD2-CE1 4.32Å; Y32-Y44 HydrophobicContact CG-CD1 4.2Å; Y32-Y44 AromaticContact CG-CE1 3.74Å; Y32-Y44 HydrophobicContact CG-CE1 3.74Å; I42-Y44 HydrophobicContact CG2-CD2 4.06Å; I42-Y44 HydrophobicContact CG2-CE2 3.48Å; I42-Y44 VanDerWaalsContact CG2-CE2 3.48Å; Y44-T117 CarbonylContact O-C 3.52Å; Y44-T117 WeakPolarHBondContact O-CA 3.43Å; Y44-V118 PolarHBondContact N-O 3.37Å; Y44-V118 PolarHBondContact O-N 3.04Å; Y44-L120 HydrophobicContact CD2-CD1 4.18Å; Y44-L120 HydrophobicContact CE2-CD1 3.84Å; Y44-Y132 HydrophobicContact CE2-CE2 4.21Å; Y44-Y132 PolarHBondContact OH-OH 2.95Å; Y44-L134 HydrophobicContact CD1-CD2 4.49Å; Y44-L134 HydrophobicContact CD2-CD2 3.28Å; Y44-L134 HydrophobicContact CE2-CD2 3.78Å; Y44-L134 HydrophobicContact CG-CD2 3.68Å
45Q92.7Very high87.7Confident38 Ų3852 Ų5218%0.17827%0.265CS..EExtended strand (participates in β ladder)trans-113115.5-178.7-173161.6100.200110.7T23 S24 E25 A26 K115 T117T23-Q45 HydrophobicContact CG2-CB 4.49Å; S24-Q45 PolarHBondContact O-N 3.03Å; E25-Q45 WeakPolarHBondContact CA-O 3.38Å; A26-Q45 PolarHBondContact N-O 3.43Å; Q45-K115 HydrophobicContact CG-CB 4.46Å; Q45-K115 HydrophobicContact CG-CD 4.21Å; Q45-T117 PolarHBondContact NE2-OG1 3.07Å
46F92.6Very high87.9Confident1 Ų148.9 Ų48.90%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-102.1126.8-179.6-54.2-97.2000109.7A26 N27 L28 Y32 K115 L116 V118 L134 A136A26-F46 HydrophobicContact CB-CD1 3.7Å; A26-F46 HydrophobicContact CB-CD2 4.49Å; A26-F46 HydrophobicContact CB-CE1 3.42Å; A26-F46 VanDerWaalsContact CB-CE1 3.42Å; A26-F46 HydrophobicContact CB-CE2 4.24Å; A26-F46 HydrophobicContact CB-CG 4.23Å; A26-F46 HydrophobicContact CB-CZ 3.71Å; A26-F46 WeakPolarHBondContact O-CA 3.37Å; A26-F46 WeakPolarHBondContact O-CD1 3.27Å; N27-F46 VanDerWaalsContact O-CE1 3.3Å; N27-F46 WeakPolarHBondContact O-CE1 3.36Å; L28-F46 HydrophobicContact CD2-CD1 4.02Å; L28-F46 HydrophobicContact CD2-CG 4.48Å; Y32-F46 HydrophobicContact CE2-CE1 4.25Å; F46-K115 WeakPolarHBondContact O-CA 3.22Å; F46-L116 HydrophobicContact CB-CB 4.26Å; F46-L116 HydrophobicContact CD2-CD2 4.37Å; F46-L116 HydrophobicContact CD2-CG 4.43Å; F46-L116 PolarHBondContact N-O 2.83Å; F46-L116 PolarHBondContact O-N 2.67Å; F46-V118 HydrophobicContact CD2-CG2 4.3Å; F46-V118 HydrophobicContact CE2-CB 4.16Å; F46-V118 HydrophobicContact CE2-CG2 3.75Å; F46-L134 HydrophobicContact CZ-CD2 4.4Å; F46-A136 HydrophobicContact CD1-CB 4.35Å; F46-A136 HydrophobicContact CE1-CB 3.72Å; F46-A136 HydrophobicContact CE2-CB 4.24Å; F46-A136 HydrophobicContact CZ-CB 3.67Å
47T91Very high88.2Confident72 Ų7249.9 Ų49.944%0.44226%0.255SS..EExtended strand (participates in β ladder)trans-95.1116.3178.8-630000110.1V113T47-V113 HydrophobicContact CG2-CG1 3.58Å
48L90.3Very high88.7Confident2 Ų249.5 Ų49.51%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-98.8113.6-177.1-53.4179000109.9L28 F54 I56 I106 L108 V113 R114 L116L28-L48 HydrophobicContact CD1-CD2 3.88Å; L48-F54 HydrophobicContact CB-CD2 4.28Å; L48-F54 HydrophobicContact CB-CE2 4.05Å; L48-F54 HydrophobicContact CB-CZ 4.19Å; L48-F54 HydrophobicContact CD2-CD1 3.98Å; L48-F54 HydrophobicContact CD2-CE1 4.12Å; L48-F54 HydrophobicContact CD2-CG 4.35Å; L48-I56 HydrophobicContact CD1-CD1 4.14Å; L48-I56 HydrophobicContact CD2-CD1 3.8Å; L48-I106 HydrophobicContact CD1-CD1 3.52Å; L48-I106 HydrophobicContact CD1-CG2 4.49Å; L48-L108 HydrophobicContact CB-CD2 4.41Å; L48-L108 VanDerWaalsContact O-CD2 3.3Å; L48-L108 WeakPolarHBondContact O-CD2 3.23Å; L48-V113 WeakPolarHBondContact O-CA 3.26Å; L48-R114 HydrophobicContact CB-CB 4.5Å; L48-R114 WeakPolarHBondContact CB-O 3.45Å; L48-R114 PolarHBondContact N-O 3.4Å; L48-R114 PolarHBondContact O-N 3.31Å; L48-R114 VanDerWaalsContact O-N 3.1Å; L48-L116 HydrophobicContact CD1-CB 4.19Å
49A87.2Confident89.2Confident33 Ų3346.3 Ų46.327%0.27324%0.237SC..  trans-150.4164.6179.700000111.2R51 F54 V113A49-R51 VanDerWaalsContact C-N 3.32Å; A49-R51 PolarHBondContact O-N 3.05Å; A49-F54 WeakPolarHBondContact O-CZ 3.46Å; A49-V113 HydrophobicContact CB-CG1 4.49Å; A49-V113 HydrophobicContact CB-CG2 4.15Å
50N83.4Confident90.1Very high168 Ų16843.1 Ų43.190%0.89822%0.22SC*.SBendtrans67.215.5174.2-52.6-27.2000116.9
51R84.7Confident90.8Very high153 Ų15339.6 Ų39.658%0.57721%0.205SC*.  trans-137.9153.1164.1-62-175.8176.8-133.35.6110.9A49 F54 L138A49-R51 VanDerWaalsContact C-N 3.32Å; A49-R51 PolarHBondContact O-N 3.05Å; R51-F54 HydrophobicContact CB-CD2 4.25Å; R51-F54 HydrophobicContact CB-CE1 4.4Å; R51-F54 HydrophobicContact CB-CE2 3.67Å; R51-F54 HydrophobicContact CB-CZ 3.75Å; R51-F54 HydrophobicContact CG-CE1 4.44Å; R51-F54 HydrophobicContact CG-CE2 4.49Å; R51-F54 HydrophobicContact CG-CZ 4.07Å; R51-L138 VanDerWaalsContact CZ-CD2 3.5Å
52S84.6Confident91Very high97 Ų9736.3 Ų36.368%0.67819%0.191SC*.SBendtrans-76.7-27.9177.149.20000113.8K107 L108S52-K107 WeakPolarHBondContact O-CA 3.4Å; S52-L108 PolarHBondContact O-N 3.44Å
53E89.6Confident90.8Very high45 Ų4541.9 Ų41.921%0.2121%0.212CC..EExtended strand (participates in β ladder)trans-145.2138.1177.7-169.1169.5-129.500110.4P105 I106 K107 R163E53-P105 HydrophobicContact CG-CB 4.08Å; E53-P105 WeakPolarHBondContact OE1-CB 3.34Å; E53-I106 CarbonylContact C-O 3.36Å; E53-I106 VanDerWaalsContact CA-O 3.32Å; E53-I106 WeakPolarHBondContact CA-O 3.43Å; E53-K107 HydrophobicContact CG-CG 4.11Å; E53-K107 WeakPolarHBondContact OE1-CE 3.45Å; E53-K107 IonicContact OE1-NZ 3.21Å; E53-R163 IonicContact OE1-CZ 3.34Å; E53-R163 IonicContact OE1-NH1 2.67Å; E53-R163 PolarHBondContact OE1-NH1 3.18Å; E53-R163 IonicContact OE2-CZ 3.41Å; E53-R163 VanDerWaalsContact OE2-CZ 3.25Å; E53-R163 IonicContact OE2-NH1 3.81Å; E53-R163 PolarHBondContact OE2-NH1 2.94Å; E53-R163 IonicContact OE2-NH2 3.77Å; E53-R163 PolarHBondContact OE2-NH2 2.65Å
54F91.3Very high90.4Very high11 Ų1145.1 Ų45.15%0.04823%0.23CC..EExtended strand (participates in β ladder)trans-119129.6172.8-71.3-99.4000109.9L28 L48 A49 R51 I56 P105 I106 L108 L138L28-F54 HydrophobicContact CD1-CD1 4.04Å; L28-F54 HydrophobicContact CD1-CE1 4.1Å; L48-F54 HydrophobicContact CB-CD2 4.28Å; L48-F54 HydrophobicContact CB-CE2 4.05Å; L48-F54 HydrophobicContact CB-CZ 4.19Å; L48-F54 HydrophobicContact CD2-CD1 3.98Å; L48-F54 HydrophobicContact CD2-CE1 4.12Å; L48-F54 HydrophobicContact CD2-CG 4.35Å; A49-F54 WeakPolarHBondContact O-CZ 3.46Å; R51-F54 HydrophobicContact CB-CD2 4.25Å; R51-F54 HydrophobicContact CB-CE1 4.4Å; R51-F54 HydrophobicContact CB-CE2 3.67Å; R51-F54 HydrophobicContact CB-CZ 3.75Å; R51-F54 HydrophobicContact CG-CE1 4.44Å; R51-F54 HydrophobicContact CG-CE2 4.49Å; R51-F54 HydrophobicContact CG-CZ 4.07Å; F54-I56 HydrophobicContact CB-CD1 4.2Å; F54-I56 HydrophobicContact CB-CG1 4.3Å; F54-P105 WeakPolarHBondContact O-CA 3.28Å; F54-I106 HydrophobicContact CB-CB 4.46Å; F54-I106 PolarHBondContact N-O 2.82Å; F54-I106 PolarHBondContact O-N 2.96Å; F54-L108 HydrophobicContact CD2-CD1 3.53Å; F54-L108 HydrophobicContact CE2-CD1 3.83Å; F54-L138 HydrophobicContact CD1-CD1 3.82Å
55V93.1Very high89.4Confident11 Ų1145.1 Ų45.17%0.06723%0.232CC..  trans-119.4115.2167.8-1750000106.9T102 P105 V139 F142V55-T102 HydrophobicContact CG1-CG2 3.86Å; V55-P105 HydrophobicContact CG2-CB 4.01Å; V55-P105 HydrophobicContact CG2-CG 4.08Å; V55-V139 HydrophobicContact CB-CB 4.39Å; V55-V139 HydrophobicContact CG1-CB 4.09Å; V55-V139 HydrophobicContact CG1-CG2 4.23Å; V55-V139 PolarHBondContact O-N 3.13Å; V55-F142 HydrophobicContact CB-CB 4.38Å; V55-F142 HydrophobicContact CB-CD1 4.39Å; V55-F142 HydrophobicContact CB-CG 4.21Å; V55-F142 HydrophobicContact CG1-CB 4.26Å; V55-F142 HydrophobicContact CG1-CD1 4.19Å; V55-F142 HydrophobicContact CG1-CD2 3.66Å; V55-F142 HydrophobicContact CG1-CE1 4.4Å; V55-F142 HydrophobicContact CG1-CE2 3.93Å; V55-F142 HydrophobicContact CG1-CG 3.78Å; V55-F142 HydrophobicContact CG1-CZ 4.29Å; V55-F142 HydrophobicContact CG2-CB 4.33Å; V55-F142 HydrophobicContact CG2-CD1 3.64Å; V55-F142 HydrophobicContact CG2-CE1 3.98Å; V55-F142 HydrophobicContact CG2-CG 3.95Å
56I93.9Very high88.7Confident1 Ų148 Ų481%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-118.7132.2-169.9-61.9164.9000108L28 L48 F54 V58 L103 I106 L116 A136 Q137L28-I56 HydrophobicContact CD1-CD1 4.33Å; L28-I56 HydrophobicContact CD2-CD1 4.03Å; L28-I56 HydrophobicContact CD2-CG1 4.26Å; L28-I56 HydrophobicContact CD2-CG2 4.2Å; L48-I56 HydrophobicContact CD1-CD1 4.14Å; L48-I56 HydrophobicContact CD2-CD1 3.8Å; F54-I56 HydrophobicContact CB-CD1 4.2Å; F54-I56 HydrophobicContact CB-CG1 4.3Å; I56-V58 HydrophobicContact CG2-CG2 4.13Å; I56-L103 HydrophobicContact CB-CD1 4.29Å; I56-L103 HydrophobicContact CG2-CD1 4.31Å; I56-L103 WeakPolarHBondContact O-CB 3.47Å; I56-L103 PolarHBondContact O-N 3.04Å; I56-I106 HydrophobicContact CD1-CD1 4.44Å; I56-L116 HydrophobicContact CD1-CD2 3.76Å; I56-L116 HydrophobicContact CG2-CD2 4.33Å; I56-A136 HydrophobicContact CG2-CB 4.14Å; I56-Q137 CarbonylContact C-O 3.53Å; I56-Q137 WeakPolarHBondContact CA-O 3.33Å
57R94.8Very high87.9Confident21 Ų2149.2 Ų49.28%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-108.2120.1170.2-166.2174.6174.582.9-7.8108.7H59 R101 T102 Q137 V139 E158 P159R57-H59 VanDerWaalsContact CD-NE2 3.34Å; R57-H59 WeakPolarHBondContact CD-NE2 3.47Å; R57-H59 VanDerWaalsContact CG-NE2 3.34Å; R57-H59 WeakPolarHBondContact CG-NE2 3.38Å; R57-H59 PolarHBondContact O-CD2 3.16Å; R57-R101 CarbonylContact C-O 3.59Å; R57-R101 WeakPolarHBondContact CA-O 3.25Å; R57-T102 PolarHBondContact NH1-OG1 2.78Å; R57-Q137 HydrophobicContact CB-CG 4.4Å; R57-Q137 PolarHBondContact N-O 3.06Å; R57-Q137 PolarHBondContact O-N 2.82Å; R57-V139 HydrophobicContact CB-CG2 3.76Å; R57-E158 PolarHBondContact NH2-O 3.1Å; R57-P159 PolarHBondContact NH1-O 2.86Å; R57-P159 PolarHBondContact NH2-O 2.74Å
58V95.2Very high87.3Confident0 Ų051.2 Ų51.20%026%0.26CS..EExtended strand (participates in β ladder)trans-97.2121.4178.5-179.60000108.5I56 V60 I75 S100 R101 L103 L134 L135 A136I56-V58 HydrophobicContact CG2-CG2 4.13Å; V58-V60 HydrophobicContact CG1-CG2 4.32Å; V58-I75 HydrophobicContact CB-CD1 3.86Å; V58-I75 HydrophobicContact CG1-CD1 3.96Å; V58-I75 HydrophobicContact CG2-CD1 3.9Å; V58-S100 CarbonylContact O-C 3.37Å; V58-S100 WeakPolarHBondContact O-CA 3.15Å; V58-R101 PolarHBondContact N-O 2.93Å; V58-R101 PolarHBondContact O-N 2.94Å; V58-L103 HydrophobicContact CG2-CD1 3.91Å; V58-L103 HydrophobicContact CG2-CG 4.3Å; V58-L134 HydrophobicContact CG1-CD1 3.62Å; V58-L135 WeakPolarHBondContact CA-O 3.43Å; V58-A136 HydrophobicContact CG2-CB 4.2Å
59H95.2Very high86.9Confident28 Ų2855.5 Ų55.513%0.1328%0.277CS..EExtended strand (participates in β ladder)trans-108.9127.6177.4-63.6-102.1000108.5R57 S100 L134 L135 Q137R57-H59 VanDerWaalsContact CD-NE2 3.34Å; R57-H59 WeakPolarHBondContact CD-NE2 3.47Å; R57-H59 VanDerWaalsContact CG-NE2 3.34Å; R57-H59 WeakPolarHBondContact CG-NE2 3.38Å; R57-H59 PolarHBondContact O-CD2 3.16Å; H59-S100 WeakPolarHBondContact ND1-CB 3.17Å; H59-S100 PolarHBondContact ND1-OG 2.95Å; H59-L134 WeakPolarHBondContact O-CA 3.14Å; H59-L135 HydrophobicContact CB-CB 4.28Å; H59-L135 PolarHBondContact N-O 3.08Å; H59-L135 PolarHBondContact O-N 2.78Å; H59-Q137 PolarHBondContact NE2-NE2 2.72Å
60V94.9Very high87Confident1 Ų155.7 Ų55.71%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-124.7119171.7-179.50000108.6V58 V73 F84 A86 V99 L120 M133 L134V58-V60 HydrophobicContact CG1-CG2 4.32Å; V60-V73 HydrophobicContact CB-CG2 4.23Å; V60-V73 HydrophobicContact CG1-CG2 4.1Å; V60-V73 HydrophobicContact CG2-CG1 4.11Å; V60-V73 HydrophobicContact CG2-CG2 3.91Å; V60-F84 HydrophobicContact CB-CE2 4.29Å; V60-F84 HydrophobicContact CG2-CE2 4.27Å; V60-F84 HydrophobicContact CG2-CZ 4.23Å; V60-A86 HydrophobicContact CG1-CB 3.99Å; V60-V99 PolarHBondContact N-O 3.29Å; V60-V99 PolarHBondContact O-N 2.86Å; V60-L120 HydrophobicContact CG1-CD2 4.48Å; V60-L120 HydrophobicContact CG2-CD2 4.5Å; V60-M133 VanDerWaalsContact CA-O 3.32Å; V60-M133 WeakPolarHBondContact CA-O 3.35Å; V60-L134 HydrophobicContact CG2-CD1 3.75Å
61A92Very high87.3Confident7 Ų747.7 Ų47.76%0.05823%0.233CC..EExtended strand (participates in β ladder)trans-107123.6173.400000109.6N98 Y132 M133A61-N98 WeakPolarHBondContact CB-OD1 3.32Å; A61-Y132 CarbonylContact O-C 3.58Å; A61-Y132 VanDerWaalsContact O-CA 3.23Å; A61-Y132 WeakPolarHBondContact O-CA 3.36Å; A61-M133 HydrophobicContact CB-CB 4.24Å; A61-M133 HydrophobicContact CB-CE 4.28Å; A61-M133 PolarHBondContact N-O 3.47Å; A61-M133 PolarHBondContact O-N 2.87Å
62N89.7Confident87.7Confident4 Ų444.2 Ų44.22%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-92.7114.2167.3-176.9-21.5000108.5N64 P65 I71 A86 P87 G97 V130N62-N64 VanDerWaalsContact C-N 3.27Å; N62-N64 PolarHBondContact O-N 3.43Å; N62-N64 PolarHBondContact OD1-N 2.86Å; N62-N64 PolarHBondContact OD1-O 2.85Å; N62-P65 HydrophobicContact CB-CB 4.48Å; N62-I71 HydrophobicContact CB-CD1 3.97Å; N62-A86 HydrophobicContact CB-CB 4.37Å; N62-A86 PolarHBondContact ND2-O 2.85Å; N62-P87 WeakPolarHBondContact ND2-CD 3.39Å; N62-G97 PolarHBondContact N-O 2.99Å; N62-V130 WeakPolarHBondContact ND2-CG1 3.36Å; N62-V130 VanDerWaalsContact OD1-CG1 3.22Å; N62-V130 WeakPolarHBondContact OD1-CG1 3.47Å
63Y85.3Confident88.2Confident135 Ų13539.6 Ų39.653%0.52919%0.193SC..SBendtrans-73.9-15.1-177-70.9-70.7000114N33 R131 M133N33-Y63 PolarHBondContact OD1-OH 2.84Å; Y63-R131 HydrophobicContact CD2-CB 3.97Å; Y63-R131 HydrophobicContact CG-CB 4.47Å; Y63-R131 PolarHBondContact N-O 2.83Å; Y63-M133 HydrophobicContact CE2-CB 3.92Å
64N82.7Confident88.4Confident100 Ų10038.5 Ų38.554%0.53519%0.189SC..SBendtrans-134.470.6176.1-165.45.1000109.6N62 K66N62-N64 VanDerWaalsContact C-N 3.27Å; N62-N64 PolarHBondContact O-N 3.43Å; N62-N64 PolarHBondContact OD1-N 2.86Å; N62-N64 PolarHBondContact OD1-O 2.85Å; N64-K66 PolarHBondContact O-N 2.96Å
65P73.7Confident88.6Confident20 Ų2038 Ų3813%0.1319%0.187CC..  trans-74.589.4-165.730.7-36.7000112.2N62 P87 I264N62-P65 HydrophobicContact CB-CB 4.48Å; P65-P87 HydrophobicContact CB-CB 3.88Å; P65-P87 HydrophobicContact CB-CG 4.01Å; P65-I264 HydrophobicContact CG-CG2 3.59Å; P65-I264 VanDerWaalsContact O-CD1 3.22Å; P65-I264 WeakPolarHBondContact O-CD1 3.48Å
66K78Confident88.5Confident98 Ų9840.8 Ų40.843%0.42620%0.198SC..  trans-95.6139.2170-67.4-162.8170.1-153.10111.8N64 D68 P87N64-K66 PolarHBondContact O-N 2.96Å; K66-D68 VanDerWaalsContact C-N 3.32Å; K66-D68 PolarHBondContact O-N 2.83Å; K66-P87 WeakPolarHBondContact O-CG 3.45Å
67P74.7Confident88.1Confident27 Ų2742.1 Ų42.118%0.17520%0.204CC..THydrogen-bonded Turntrans-65.1-32.7179-20.132.7000113.8Y69 P70 P262P67-Y69 VanDerWaalsContact C-N 3.32Å; P67-Y69 PolarHBondContact O-N 3.37Å; P67-P70 WeakPolarHBondContact O-CD 3.42Å; P67-P262 HydrophobicContact CB-CG 4.13Å; P67-P262 HydrophobicContact CG-CG 3.43Å; P67-P262 VanDerWaalsContact CG-CG 3.43Å
68D78.6Confident87.4Confident114 Ų11445.5 Ų45.561%0.6123%0.227SC*.THydrogen-bonded Turntrans-70.9-24.8-171.8-54.6-29.3000113.9K66K66-D68 VanDerWaalsContact C-N 3.32Å; K66-D68 PolarHBondContact O-N 2.83Å
69Y82.5Confident86.6Confident92 Ų9251.6 Ų51.636%0.36126%0.26SS..SBendtrans-134.761.8-173.1-57.3-64.5000112P67 N122 I124P67-Y69 VanDerWaalsContact C-N 3.32Å; P67-Y69 PolarHBondContact O-N 3.37Å; Y69-N122 PolarHBondContact O-ND2 2.83Å; Y69-N122 VanDerWaalsContact O-ND2 3.17Å; Y69-I124 HydrophobicContact CD1-CB 3.96Å; Y69-I124 HydrophobicContact CD1-CG1 4.14Å; Y69-I124 HydrophobicContact CD2-CD1 4Å; Y69-I124 HydrophobicContact CD2-CG1 4.16Å; Y69-I124 HydrophobicContact CG-CB 3.97Å; Y69-I124 HydrophobicContact CG-CD1 4.06Å; Y69-I124 HydrophobicContact CG-CG1 3.94Å
70P88.4Confident86Confident37 Ų3752.7 Ų52.724%0.2427%0.267CS..PPolyproline II helixtrans-70.2148.3-179.331.7-34000110.9P67 L72 Q85P67-P70 WeakPolarHBondContact O-CD 3.42Å; P70-L72 PolarHBondContact O-N 3.44Å; P70-Q85 HydrophobicContact CB-CB 4.1Å
71I91Very high85.7Confident0 Ų057 Ų570%029%0.292CS..EExtended strand (participates in β ladder)trans-75.8119.7166.6-54163.7000107.1I36 N62 V73 Q85 A86 L120 S121 V130 Y132I36-I71 HydrophobicContact CG2-CG1 4.4Å; N62-I71 HydrophobicContact CB-CD1 3.97Å; I71-V73 HydrophobicContact CG2-CG2 4.49Å; I71-Q85 CarbonylContact O-C 3.39Å; I71-Q85 VanDerWaalsContact O-CA 3.31Å; I71-Q85 WeakPolarHBondContact O-CA 3.47Å; I71-A86 HydrophobicContact CB-CB 4.42Å; I71-A86 PolarHBondContact N-O 2.64Å; I71-A86 PolarHBondContact O-N 2.91Å; I71-L120 HydrophobicContact CG2-CB 4.39Å; I71-L120 HydrophobicContact CG2-CD2 3.76Å; I71-S121 CarbonylContact C-O 3.5Å; I71-S121 WeakPolarHBondContact CA-O 3.28Å; I71-V130 HydrophobicContact CD1-CG1 3.85Å; I71-V130 HydrophobicContact CG1-CG1 3.93Å; I71-Y132 HydrophobicContact CD1-CG 4.49Å
72L92.9Very high85.6Confident79 Ų7959 Ų5941%0.41430%0.301SS..EExtended strand (participates in β ladder)trans-85.3118.8170.1177.667.2000108.7P70 V74 S121P70-L72 PolarHBondContact O-N 3.44Å; L72-V74 HydrophobicContact CD2-CG2 4.33Å; L72-V74 HydrophobicContact CG-CG2 4.11Å; L72-S121 PolarHBondContact N-O 2.97Å; L72-S121 PolarHBondContact O-N 3.46Å; L72-S121 PolarHBondContact O-OG 2.91Å
73V94.7Very high85.8Confident0 Ų062.4 Ų62.40%033%0.326CS..EExtended strand (participates in β ladder)trans-100.6126.2176.9-166.70000108V60 I71 I75 S83 F84 V118 E119 L120V60-V73 HydrophobicContact CB-CG2 4.23Å; V60-V73 HydrophobicContact CG1-CG2 4.1Å; V60-V73 HydrophobicContact CG2-CG1 4.11Å; V60-V73 HydrophobicContact CG2-CG2 3.91Å; I71-V73 HydrophobicContact CG2-CG2 4.49Å; V73-I75 HydrophobicContact CG1-CG1 4.19Å; V73-S83 CarbonylContact O-C 3.55Å; V73-S83 WeakPolarHBondContact O-CA 3.32Å; V73-S83 VanDerWaalsContact O-CB 3.32Å; V73-S83 WeakPolarHBondContact O-CB 3.47Å; V73-F84 HydrophobicContact CB-CD1 4.42Å; V73-F84 HydrophobicContact CB-CD2 4.11Å; V73-F84 HydrophobicContact CB-CE1 4.24Å; V73-F84 HydrophobicContact CB-CE2 3.92Å; V73-F84 HydrophobicContact CB-CG 4.37Å; V73-F84 HydrophobicContact CB-CZ 3.99Å; V73-F84 HydrophobicContact CG1-CE1 4.09Å; V73-F84 HydrophobicContact CG1-CE2 4.24Å; V73-F84 HydrophobicContact CG1-CZ 3.84Å; V73-F84 HydrophobicContact CG2-CD2 3.94Å; V73-F84 HydrophobicContact CG2-CE2 3.63Å; V73-F84 HydrophobicContact CG2-CZ 4.11Å; V73-F84 PolarHBondContact N-O 3Å; V73-F84 PolarHBondContact O-N 3.46Å; V73-V118 HydrophobicContact CG1-CG1 4.03Å; V73-E119 WeakPolarHBondContact CA-O 3.12Å; V73-L120 HydrophobicContact CB-CD2 4.26Å; V73-L120 HydrophobicContact CG1-CD2 4.02Å; V73-L120 HydrophobicContact CG2-CD2 3.82Å
74V95.1Very high86.1Confident23 Ų2357 Ų5714%0.13931%0.305CS..EExtended strand (participates in β ladder)trans-125.8115175.4-176.10000109.2L72 K76 V81 E119L72-V74 HydrophobicContact CD2-CG2 4.33Å; L72-V74 HydrophobicContact CG-CG2 4.11Å; V74-K76 HydrophobicContact CG1-CG 4.34Å; V74-V81 HydrophobicContact CG1-CG1 3.91Å; V74-E119 HydrophobicContact CB-CB 4.23Å; V74-E119 PolarHBondContact N-O 3.15Å; V74-E119 PolarHBondContact O-N 3.08Å
75I94.1Very high86.5Confident1 Ų156.3 Ų56.31%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-103.7115.8-178.3-55.7178.5000108.2V58 V73 V81 M82 F84 L103 L116 T117 V118V58-I75 HydrophobicContact CB-CD1 3.86Å; V58-I75 HydrophobicContact CG1-CD1 3.96Å; V58-I75 HydrophobicContact CG2-CD1 3.9Å; V73-I75 HydrophobicContact CG1-CG1 4.19Å; I75-V81 WeakPolarHBondContact O-CA 3.49Å; I75-M82 PolarHBondContact N-O 3.14Å; I75-M82 PolarHBondContact O-N 3.01Å; I75-F84 HydrophobicContact CD1-CE1 3.77Å; I75-F84 HydrophobicContact CD1-CZ 4.49Å; I75-L103 HydrophobicContact CD1-CD2 3.88Å; I75-L103 HydrophobicContact CG2-CD1 3.82Å; I75-L103 HydrophobicContact CG2-CD2 3.98Å; I75-L116 HydrophobicContact CG2-CD1 3.65Å; I75-T117 WeakPolarHBondContact CA-O 3.44Å; I75-V118 HydrophobicContact CG1-CG1 4.32Å; I75-V118 HydrophobicContact CG1-CG2 4.28Å; I75-V118 HydrophobicContact CG2-CG2 4.41Å
76K91.3Very high87.3Confident68 Ų6855.4 Ų55.430%0.29629%0.292SS..EExtended strand (participates in β ladder)trans-104.5113.3179.6-55172.5-161.4154.90109E43 V74 V81 T117 E119E43-K76 IonicContact OE2-NZ 2.67Å; V74-K76 HydrophobicContact CG1-CG 4.34Å; K76-V81 HydrophobicContact CG-CG1 4.44Å; K76-T117 HydrophobicContact CB-CG2 4.26Å; K76-T117 HydrophobicContact CD-CG2 3.88Å; K76-T117 HydrophobicContact CG-CG2 4.3Å; K76-T117 PolarHBondContact N-O 3.35Å; K76-T117 PolarHBondContact O-N 3Å; K76-E119 VanDerWaalsContact CE-OE2 3.25Å; K76-E119 WeakPolarHBondContact CE-OE2 3.34Å; K76-E119 IonicContact NZ-OE2 2.81Å; K76-E119 PolarHBondContact NZ-OE2 2.61Å
77Q85.9Confident87.8Confident29 Ų2950.8 Ų50.814%0.13627%0.272CS..  trans-100.5168.8166.4-45.2-172.8-6400108.7D79 N80 L116Q77-D79 VanDerWaalsContact C-N 3.31Å; Q77-D79 PolarHBondContact O-N 3.1Å; Q77-N80 CarbonylContact C-O 3.58Å; Q77-N80 WeakPolarHBondContact CA-O 3.38Å; Q77-N80 VanDerWaalsContact CB-O 3.29Å; Q77-N80 WeakPolarHBondContact CB-O 3.49Å; Q77-N80 PolarHBondContact N-O 2.67Å; Q77-L116 HydrophobicContact CG-CD1 3.9Å
78V79.5Confident88.4Confident93 Ų9350.6 Ų50.656%0.56427%0.27SS*.SBendtrans-60.9-41.3175.1-179.60000111.6R114V78-R114 HydrophobicContact CG2-CB 4.41Å; V78-R114 HydrophobicContact CG2-CG 4.29Å
79D78.8Confident88.6Confident127 Ų12747.5 Ų47.568%0.67926%0.255SS*.SBendtrans-105.8-4.2-171.1-51.3-47.9000113.8Q77 R114Q77-D79 VanDerWaalsContact C-N 3.31Å; Q77-D79 PolarHBondContact O-N 3.1Å; D79-R114 IonicContact OD1-NH1 3.97Å; D79-R114 IonicContact OD2-CZ 2.69Å; D79-R114 IonicContact OD2-NH1 2.81Å; D79-R114 PolarHBondContact OD2-NH1 2.85Å
80N82.3Confident88.4Confident52 Ų5243.3 Ų43.328%0.27824%0.239SC..  trans-159.5152.5-174-166.716.2000112.4Q77Q77-N80 CarbonylContact C-O 3.58Å; Q77-N80 WeakPolarHBondContact CA-O 3.38Å; Q77-N80 VanDerWaalsContact CB-O 3.29Å; Q77-N80 WeakPolarHBondContact CB-O 3.49Å; Q77-N80 PolarHBondContact N-O 2.67Å
81V88.9Confident87.6Confident90 Ų9045.1 Ų45.155%0.54525%0.246SC..EExtended strand (participates in β ladder)trans-126.6129.4171.1-177.80000108.9V74 I75 K76V74-V81 HydrophobicContact CG1-CG1 3.91Å; I75-V81 WeakPolarHBondContact O-CA 3.49Å; K76-V81 HydrophobicContact CG-CG1 4.44Å
82M90Very high86.5Confident49 Ų4950.1 Ų50.124%0.24128%0.281CS..EExtended strand (participates in β ladder)trans-120.7141.6177.2178.9-174.6-72.100109.2I75 R101 L103I75-M82 PolarHBondContact N-O 3.14Å; I75-M82 PolarHBondContact O-N 3.01Å; M82-R101 HydrophobicContact SD-CB 4.02Å; M82-R101 HydrophobicContact SD-CG 4.23Å; M82-L103 HydrophobicContact CE-CD2 4.38Å; M82-L103 HydrophobicContact SD-CD2 4.04Å
83S92.7Very high85.2Confident77 Ų7750.9 Ų50.954%0.53829%0.285SS..EExtended strand (participates in β ladder)trans-134.2150.9170.559.40000112.2V73V73-S83 CarbonylContact O-C 3.55Å; V73-S83 WeakPolarHBondContact O-CA 3.32Å; V73-S83 VanDerWaalsContact O-CB 3.32Å; V73-S83 WeakPolarHBondContact O-CB 3.47Å
84F92.4Very high84.1Confident22 Ų2251.5 Ų51.510%0.09629%0.289CS..EExtended strand (participates in β ladder)trans-155.5169.5173.360.7-93.5000110.6V60 V73 I75 V99 R101V60-F84 HydrophobicContact CB-CE2 4.29Å; V60-F84 HydrophobicContact CG2-CE2 4.27Å; V60-F84 HydrophobicContact CG2-CZ 4.23Å; V73-F84 HydrophobicContact CB-CD1 4.42Å; V73-F84 HydrophobicContact CB-CD2 4.11Å; V73-F84 HydrophobicContact CB-CE1 4.24Å; V73-F84 HydrophobicContact CB-CE2 3.92Å; V73-F84 HydrophobicContact CB-CG 4.37Å; V73-F84 HydrophobicContact CB-CZ 3.99Å; V73-F84 HydrophobicContact CG1-CE1 4.09Å; V73-F84 HydrophobicContact CG1-CE2 4.24Å; V73-F84 HydrophobicContact CG1-CZ 3.84Å; V73-F84 HydrophobicContact CG2-CD2 3.94Å; V73-F84 HydrophobicContact CG2-CE2 3.63Å; V73-F84 HydrophobicContact CG2-CZ 4.11Å; V73-F84 PolarHBondContact N-O 3Å; V73-F84 PolarHBondContact O-N 3.46Å; I75-F84 HydrophobicContact CD1-CE1 3.77Å; I75-F84 HydrophobicContact CD1-CZ 4.49Å; F84-V99 HydrophobicContact CD2-CB 4.16Å; F84-V99 HydrophobicContact CD2-CG1 3.53Å; F84-V99 HydrophobicContact CE2-CB 4.02Å; F84-V99 HydrophobicContact CE2-CG1 3.73Å; F84-V99 HydrophobicContact CG-CG1 4.38Å; F84-R101 HydrophobicContact CD1-CB 4.49Å; F84-R101 HydrophobicContact CD1-CG 3.73Å; F84-R101 HydrophobicContact CE1-CB 4.02Å; F84-R101 HydrophobicContact CE1-CG 3.66Å; F84-R101 HydrophobicContact CG-CG 4.33Å; F84-R101 HydrophobicContact CZ-CG 4.21Å
85Q91.8Very high83.4Confident85 Ų8550.4 Ų50.440%0.39728%0.282SS..EExtended strand (participates in β ladder)trans-116.6145-176.958175.374.800112.1P70 I71 P87 M88P70-Q85 HydrophobicContact CB-CB 4.1Å; I71-Q85 CarbonylContact O-C 3.39Å; I71-Q85 VanDerWaalsContact O-CA 3.31Å; I71-Q85 WeakPolarHBondContact O-CA 3.47Å; Q85-P87 PolarHBondContact NE2-O 2.89Å; Q85-P87 CarbonylContact O-C 3.58Å; Q85-M88 WeakPolarHBondContact O-CA 3.31Å; Q85-M88 PolarHBondContact O-N 2.77Å
86A90.4Very high82.9Confident0 Ų050.9 Ų50.90%028%0.284CS..EExtended strand (participates in β ladder)trans-127.7109.4175.500000111V60 N62 I71 V99V60-A86 HydrophobicContact CG1-CB 3.99Å; N62-A86 HydrophobicContact CB-CB 4.37Å; N62-A86 PolarHBondContact ND2-O 2.85Å; I71-A86 HydrophobicContact CB-CB 4.42Å; I71-A86 PolarHBondContact N-O 2.64Å; I71-A86 PolarHBondContact O-N 2.91Å; A86-V99 HydrophobicContact CB-CG2 4Å
87P88.3Confident82.5Confident1 Ų147.9 Ų47.91%0.00627%0.272CS..SBendcis-73.1146.410.429.3-35.9000114.4N62 P65 K66 Q85 A95 Y96N62-P87 WeakPolarHBondContact ND2-CD 3.39Å; P65-P87 HydrophobicContact CB-CB 3.88Å; P65-P87 HydrophobicContact CB-CG 4.01Å; K66-P87 WeakPolarHBondContact O-CG 3.45Å; Q85-P87 PolarHBondContact NE2-O 2.89Å; Q85-P87 CarbonylContact O-C 3.58Å; P87-A95 HydrophobicContact CB-CB 4.26Å; P87-Y96 CarbonylContact C-O 3.55Å; P87-Y96 WeakPolarHBondContact CA-O 3.44Å; P87-Y96 VanDerWaalsContact CB-O 3.28Å; P87-Y96 WeakPolarHBondContact CB-O 3.45Å
88M86.5Confident82.7Confident23 Ų2349.1 Ų49.111%0.11328%0.28CS..EExtended strand (participates in β ladder)trans-81.7120.5167.6-173.7176.5177.900108.4Q85 L90 Y96 V99 R101 A157 L199Q85-M88 WeakPolarHBondContact O-CA 3.31Å; Q85-M88 PolarHBondContact O-N 2.77Å; M88-L90 HydrophobicContact CE-CD1 4.43Å; M88-L90 HydrophobicContact CE-CD2 3.8Å; M88-L90 HydrophobicContact CE-CG 4.06Å; M88-L90 HydrophobicContact CG-CG 4.38Å; M88-L90 HydrophobicContact SD-CD1 4.41Å; M88-Y96 PolarHBondContact N-O 2.94Å; M88-Y96 PolarHBondContact O-N 3Å; M88-V99 HydrophobicContact CB-CG1 4.21Å; M88-V99 HydrophobicContact CB-CG2 3.67Å; M88-V99 HydrophobicContact SD-CG1 4.42Å; M88-R101 PolarHBondContact SD-NH2 3.31Å; M88-A157 HydrophobicContact CB-CB 4.25Å; M88-A157 HydrophobicContact SD-CB 4.28Å; M88-L199 HydrophobicContact CE-CD2 3.7Å
89V83Confident83.3Confident49 Ų4944.7 Ų44.730%0.29725%0.253SS..EExtended strand (participates in β ladder)trans-94123.2175.3-178.30000108.4A95V89-A95 HydrophobicContact CG2-CB 4.38Å
90L78.3Confident84Confident5 Ų538.8 Ų38.83%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-114.5128.4-179.2-81.8154.9000109.9M88 S92 I93 S94 Y96 P156 P237M88-L90 HydrophobicContact CE-CD1 4.43Å; M88-L90 HydrophobicContact CE-CD2 3.8Å; M88-L90 HydrophobicContact CE-CG 4.06Å; M88-L90 HydrophobicContact CG-CG 4.38Å; M88-L90 HydrophobicContact SD-CD1 4.41Å; L90-S92 PolarHBondContact O-N 3.14Å; L90-I93 PolarHBondContact O-N 3.15Å; L90-I93 VanDerWaalsContact O-N 3.15Å; L90-S94 PolarHBondContact N-O 2.9Å; L90-S94 PolarHBondContact O-N 2.95Å; L90-Y96 HydrophobicContact CB-CE2 4.48Å; L90-Y96 HydrophobicContact CD1-CD2 3.85Å; L90-Y96 HydrophobicContact CD1-CE2 3.84Å; L90-P156 HydrophobicContact CD1-CB 3.68Å; L90-P237 HydrophobicContact CB-CB 3.96Å; L90-P237 HydrophobicContact CB-CG 4.17Å
91N71.2Confident84.5Confident74 Ų7436.8 Ų36.840%0.39621%0.21SC..THydrogen-bonded Turntrans50.423.8-177.3-63.86.2000115.1I93N91-I93 HydrophobicContact CB-CD1 4.22Å; N91-I93 WeakPolarHBondContact O-CG1 3.46Å; N91-I93 PolarHBondContact O-N 3.22Å
92S68.8Low84.7Confident105 Ų10532.7 Ų32.773%0.73419%0.185SC*.THydrogen-bonded Turntrans58.39.6-173.4-52.40000115.8L90L90-S92 PolarHBondContact O-N 3.14Å
93I66.1Low84.8Confident96 Ų9630.4 Ų30.449%0.49217%0.174SC..THydrogen-bonded Turntrans-108.3-36-174.8-64.9154.8000111.4L90 N91 Q263L90-I93 PolarHBondContact O-N 3.15Å; L90-I93 VanDerWaalsContact O-N 3.15Å; N91-I93 HydrophobicContact CB-CD1 4.22Å; N91-I93 WeakPolarHBondContact O-CG1 3.46Å; N91-I93 PolarHBondContact O-N 3.22Å; I93-Q263 PolarHBondContact O-N 2.84Å
94S71.8Confident84.7Confident12 Ų1227.4 Ų27.48%0.08415%0.153CC..EExtended strand (participates in β ladder)trans-128.9127.3-173.2-600000112.1L90 N265L90-S94 PolarHBondContact N-O 2.9Å; L90-S94 PolarHBondContact O-N 2.95Å; S94-N265 PolarHBondContact OG-ND2 3.02Å
95A78.8Confident84.6Confident0 Ų027.7 Ų27.70%016%0.157CC..EExtended strand (participates in β ladder)trans-102.8128.8172.300000110.3P87 V89 Q263 N265P87-A95 HydrophobicContact CB-CB 4.26Å; V89-A95 HydrophobicContact CG2-CB 4.38Å; A95-Q263 PolarHBondContact N-O 2.9Å; A95-N265 PolarHBondContact O-N 3.5Å; A95-N265 VanDerWaalsContact O-N 3.15Å
96Y83.7Confident84.4Confident11 Ų1124.4 Ų24.44%0.04314%0.142CC..EExtended strand (participates in β ladder)trans-113.9114.5178.9-67.1-92.7000110.2P87 M88 L90 P156 A157 N265P87-Y96 CarbonylContact C-O 3.55Å; P87-Y96 WeakPolarHBondContact CA-O 3.44Å; P87-Y96 VanDerWaalsContact CB-O 3.28Å; P87-Y96 WeakPolarHBondContact CB-O 3.45Å; M88-Y96 PolarHBondContact N-O 2.94Å; M88-Y96 PolarHBondContact O-N 3Å; L90-Y96 HydrophobicContact CB-CE2 4.48Å; L90-Y96 HydrophobicContact CD1-CD2 3.85Å; L90-Y96 HydrophobicContact CD1-CE2 3.84Å; Y96-P156 HydrophobicContact CE1-CG 4.35Å; Y96-P156 HydrophobicContact CE2-CB 4.29Å; Y96-A157 VanDerWaalsContact CB-CB 3.48Å; Y96-A157 HydrophobicContact CD1-CB 4.39Å; Y96-A157 HydrophobicContact CD2-CB 4.26Å; Y96-A157 HydrophobicContact CG-CB 3.81Å; Y96-N265 HydrophobicContact CD1-CB 4.48Å; Y96-N265 HydrophobicContact CE1-CB 4.13Å
97G83.1Confident84.3Confident5 Ų531 Ų315%0.05217%0.171CC..SBendtrans-69.9-30.3179.500000114.3N62N62-G97 PolarHBondContact N-O 2.99Å
98N89.3Confident84.3Confident56 Ų5631.6 Ų31.630%0.29917%0.174SC..EExtended strand (participates in β ladder)trans-94.3124174-67.613.9000109.3A61 A157 P267A61-N98 WeakPolarHBondContact CB-OD1 3.32Å; N98-A157 WeakPolarHBondContact O-CB 3.38Å; N98-P267 HydrophobicContact CB-CB 4.41Å; N98-P267 WeakPolarHBondContact ND2-CB 3.37Å
99V92.4Very high84.2Confident0 Ų036.5 Ų36.50%020%0.2CC..EExtended strand (participates in β ladder)trans-133.3129.2-179-170.60000108.8V60 F84 A86 M88 A157V60-V99 PolarHBondContact N-O 3.29Å; V60-V99 PolarHBondContact O-N 2.86Å; F84-V99 HydrophobicContact CD2-CB 4.16Å; F84-V99 HydrophobicContact CD2-CG1 3.53Å; F84-V99 HydrophobicContact CE2-CB 4.02Å; F84-V99 HydrophobicContact CE2-CG1 3.73Å; F84-V99 HydrophobicContact CG-CG1 4.38Å; A86-V99 HydrophobicContact CB-CG2 4Å; M88-V99 HydrophobicContact CB-CG1 4.21Å; M88-V99 HydrophobicContact CB-CG2 3.67Å; M88-V99 HydrophobicContact SD-CG1 4.42Å; V99-A157 HydrophobicContact CG2-CB 4.42Å
100S93.9Very high84.1Confident2 Ų240.6 Ų40.61%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-137.1128.7-170.4-54.30000111.2V58 H59 A157 E158V58-S100 CarbonylContact O-C 3.37Å; V58-S100 WeakPolarHBondContact O-CA 3.15Å; H59-S100 WeakPolarHBondContact ND1-CB 3.17Å; H59-S100 PolarHBondContact ND1-OG 2.95Å; S100-A157 PolarHBondContact N-O 2.85Å; S100-A157 VanDerWaalsContact N-O 3.12Å; S100-E158 WeakPolarHBondContact CB-OE1 3.37Å; S100-E158 WeakPolarHBondContact OG-CG 3.38Å; S100-E158 PolarHBondContact OG-OE1 2.81Å
101R93.2Very high84.2Confident10 Ų1044.3 Ų44.34%0.03827%0.267CS..EExtended strand (participates in β ladder)trans-129.5131-177.9-66.6-66.3168.7159.4-2.2112.1R57 V58 M82 F84 M88 D198R57-R101 CarbonylContact C-O 3.59Å; R57-R101 WeakPolarHBondContact CA-O 3.25Å; V58-R101 PolarHBondContact N-O 2.93Å; V58-R101 PolarHBondContact O-N 2.94Å; M82-R101 HydrophobicContact SD-CB 4.02Å; M82-R101 HydrophobicContact SD-CG 4.23Å; F84-R101 HydrophobicContact CD1-CB 4.49Å; F84-R101 HydrophobicContact CD1-CG 3.73Å; F84-R101 HydrophobicContact CE1-CB 4.02Å; F84-R101 HydrophobicContact CE1-CG 3.66Å; F84-R101 HydrophobicContact CG-CG 4.33Å; F84-R101 HydrophobicContact CZ-CG 4.21Å; M88-R101 PolarHBondContact SD-NH2 3.31Å; R101-D198 WeakPolarHBondContact CD-OD2 3Å; R101-D198 IonicContact CZ-OD2 3.65Å; R101-D198 IonicContact NE-OD2 3.75Å; R101-D198 IonicContact NH1-OD1 3.34Å; R101-D198 PolarHBondContact NH1-OD1 3.29Å; R101-D198 IonicContact NH1-OD2 3.62Å; R101-D198 PolarHBondContact NH1-OD2 3.15Å
102T93.1Very high84.9Confident4 Ų443.4 Ų43.43%0.02526%0.261CS..EExtended strand (participates in β ladder)trans-84.4128.1168.8-58.30000109V55 R57 F142 Y161V55-T102 HydrophobicContact CG1-CG2 3.86Å; R57-T102 PolarHBondContact NH1-OG1 2.78Å; T102-F142 HydrophobicContact CG2-CE2 4.4Å; T102-Y161 HydrophobicContact CG2-CE1 4.07Å; T102-Y161 HydrophobicContact CG2-CE2 4.09Å; T102-Y161 VanDerWaalsContact O-CE1 3.28Å; T102-Y161 WeakPolarHBondContact O-CE1 3.46Å; T102-Y161 PolarHBondContact O-OH 2.81Å
103L92.2Very high85.7Confident1 Ų142.7 Ų42.71%0.00525%0.251CS..PPolyproline II helixtrans-84.7150.3178.6-59.8-178.3000111.7I56 V58 I75 M82 L116 Y161I56-L103 HydrophobicContact CB-CD1 4.29Å; I56-L103 HydrophobicContact CG2-CD1 4.31Å; I56-L103 WeakPolarHBondContact O-CB 3.47Å; I56-L103 PolarHBondContact O-N 3.04Å; V58-L103 HydrophobicContact CG2-CD1 3.91Å; V58-L103 HydrophobicContact CG2-CG 4.3Å; I75-L103 HydrophobicContact CD1-CD2 3.88Å; I75-L103 HydrophobicContact CG2-CD1 3.82Å; I75-L103 HydrophobicContact CG2-CD2 3.98Å; M82-L103 HydrophobicContact CE-CD2 4.38Å; M82-L103 HydrophobicContact SD-CD2 4.04Å; L103-L116 HydrophobicContact CD1-CD1 3.94Å; L103-L116 HydrophobicContact CD1-CD2 4.04Å; L103-Y161 PolarHBondContact O-OH 3.24Å; L103-Y161 VanDerWaalsContact O-OH 3.06Å
104C89.8Confident86.8Confident14 Ų1440 Ų4010%0.09524%0.235CC..PPolyproline II helixtrans-54.7137.7175-84.70000111.1I106 Y161 C194C104-I106 PolarHBondContact O-N 2.86Å; C104-I106 VanDerWaalsContact O-N 3.14Å; C104-Y161 PolarHBondContact N-OH 2.85Å; C104-C194 HydrophobicContact CB-CB 4.05Å; C104-C194 WeakPolarHBondContact CB-SG 3.2Å; C104-C194 WeakPolarHBondContact SG-CB 3.12Å; C104-C194 CovalentContact SG-SG 2.03Å; C104-C194 PolarHBondContact SG-SG 3.34Å
105P90Very high87.6Confident28 Ų2844.4 Ų44.418%0.18225%0.253CS..PPolyproline II helixtrans-56.7117.7-177.8-26.334.3000112.3E53 F54 V55 F142 F230E53-P105 HydrophobicContact CG-CB 4.08Å; E53-P105 WeakPolarHBondContact OE1-CB 3.34Å; F54-P105 WeakPolarHBondContact O-CA 3.28Å; V55-P105 HydrophobicContact CG2-CB 4.01Å; V55-P105 HydrophobicContact CG2-CG 4.08Å; P105-F142 HydrophobicContact CG-CE1 3.71Å; P105-F142 HydrophobicContact CG-CZ 3.96Å; P105-F230 HydrophobicContact CG-CZ 4.49Å
106I89.3Confident88.3Confident17 Ų1744.4 Ų44.49%0.08725%0.253CS..EExtended strand (participates in β ladder)trans-88.9114.3179.2-50.9172.8000107.5L48 E53 F54 I56 C104 L108L48-I106 HydrophobicContact CD1-CD1 3.52Å; L48-I106 HydrophobicContact CD1-CG2 4.49Å; E53-I106 CarbonylContact C-O 3.36Å; E53-I106 VanDerWaalsContact CA-O 3.32Å; E53-I106 WeakPolarHBondContact CA-O 3.43Å; F54-I106 HydrophobicContact CB-CB 4.46Å; F54-I106 PolarHBondContact N-O 2.82Å; F54-I106 PolarHBondContact O-N 2.96Å; I56-I106 HydrophobicContact CD1-CD1 4.44Å; C104-I106 PolarHBondContact O-N 2.86Å; C104-I106 VanDerWaalsContact O-N 3.14Å; I106-L108 HydrophobicContact CG2-CD1 3.92Å
107K87.4Confident88.7Confident137 Ų13744.5 Ų44.560%0.59625%0.254SS*.EExtended strand (participates in β ladder)trans-93.1138174.5-65.2179.4179.2-179.90109.8S52 E53S52-K107 WeakPolarHBondContact O-CA 3.4Å; E53-K107 HydrophobicContact CG-CG 4.11Å; E53-K107 WeakPolarHBondContact OE1-CE 3.45Å; E53-K107 IonicContact OE1-NZ 3.21Å
108L87.6Confident89.2Confident14 Ų1444.2 Ų44.27%0.07325%0.252CS..  trans-122.6139.5175.2-69.986.7000109.7L48 S52 F54 I106 E112 R114L48-L108 HydrophobicContact CB-CD2 4.41Å; L48-L108 VanDerWaalsContact O-CD2 3.3Å; L48-L108 WeakPolarHBondContact O-CD2 3.23Å; S52-L108 PolarHBondContact O-N 3.44Å; F54-L108 HydrophobicContact CD2-CD1 3.53Å; F54-L108 HydrophobicContact CE2-CD1 3.83Å; I106-L108 HydrophobicContact CG2-CD1 3.92Å; L108-E112 HydrophobicContact CB-CB 4.36Å; L108-E112 WeakPolarHBondContact CD2-O 3.24Å; L108-R114 HydrophobicContact CD2-CB 4.04Å; L108-R114 HydrophobicContact CD2-CG 3.97Å; L108-R114 HydrophobicContact CG-CB 4.46Å; L108-R114 HydrophobicContact CG-CG 4.07Å
109L84.6Confident89.5Confident126 Ų12642.5 Ų42.566%0.6624%0.242SC*.  trans-71.5156.7167.8-69.4158.2000110.3G111 E112L109-G111 PolarHBondContact O-N 2.85Å; L109-G111 VanDerWaalsContact O-N 3.15Å; L109-E112 HydrophobicContact CB-CB 4.11Å; L109-E112 WeakPolarHBondContact CB-OE2 3.25Å; L109-E112 PolarHBondContact N-OE2 2.89Å; L109-E112 VanDerWaalsContact O-CB 3.26Å; L109-E112 WeakPolarHBondContact O-CB 3.47Å; L109-E112 PolarHBondContact O-N 2.84Å
110P81.3Confident89.5Confident136 Ų13642.5 Ų42.588%0.88324%0.242SC*.THydrogen-bonded Turntrans-57.5120.6177.1-23.634.3000111.6E112P110-E112 VanDerWaalsContact C-N 3.3Å
111G80.5Confident89.4Confident83 Ų8343.7 Ų43.786%0.85625%0.25SS*.THydrogen-bonded Turntrans82.6-3.3-177.200000115.4L109L109-G111 PolarHBondContact O-N 2.85Å; L109-G111 VanDerWaalsContact O-N 3.15Å
112E85.5Confident89.2Confident55 Ų5543.9 Ų43.926%0.25725%0.252SS..  trans-70.6141.6168.6-168.8-178.4174.700109.7L108 L109 P110 R114L108-E112 HydrophobicContact CB-CB 4.36Å; L108-E112 WeakPolarHBondContact CD2-O 3.24Å; L109-E112 HydrophobicContact CB-CB 4.11Å; L109-E112 WeakPolarHBondContact CB-OE2 3.25Å; L109-E112 PolarHBondContact N-OE2 2.89Å; L109-E112 VanDerWaalsContact O-CB 3.26Å; L109-E112 WeakPolarHBondContact O-CB 3.47Å; L109-E112 PolarHBondContact O-N 2.84Å; P110-E112 VanDerWaalsContact C-N 3.3Å; E112-R114 HydrophobicContact CG-CG 4.39Å; E112-R114 IonicContact OE1-CZ 3.86Å; E112-R114 VanDerWaalsContact OE1-CZ 3.27Å; E112-R114 IonicContact OE1-NE 2.81Å; E112-R114 PolarHBondContact OE1-NE 2.84Å; E112-R114 IonicContact OE1-NH2 2.74Å; E112-R114 PolarHBondContact OE1-NH2 3.03Å
113V86.8Confident88.9Confident89 Ų8946.8 Ų46.854%0.53928%0.276SS..  trans-122.5126172.6179.40000107.5T47 L48 A49T47-V113 HydrophobicContact CG2-CG1 3.58Å; L48-V113 WeakPolarHBondContact O-CA 3.26Å; A49-V113 HydrophobicContact CB-CG1 4.49Å; A49-V113 HydrophobicContact CB-CG2 4.15Å
114R88.4Confident88.5Confident41 Ų4147.1 Ų47.116%0.15528%0.278CS..EExtended strand (participates in β ladder)trans-113.6150.6176.4-69.6-171.6174-147.3-6.1110.7L48 V78 D79 L108 E112L48-R114 HydrophobicContact CB-CB 4.5Å; L48-R114 WeakPolarHBondContact CB-O 3.45Å; L48-R114 PolarHBondContact N-O 3.4Å; L48-R114 PolarHBondContact O-N 3.31Å; L48-R114 VanDerWaalsContact O-N 3.1Å; V78-R114 HydrophobicContact CG2-CB 4.41Å; V78-R114 HydrophobicContact CG2-CG 4.29Å; D79-R114 IonicContact OD1-NH1 3.97Å; D79-R114 IonicContact OD2-CZ 2.69Å; D79-R114 IonicContact OD2-NH1 2.81Å; D79-R114 PolarHBondContact OD2-NH1 2.85Å; L108-R114 HydrophobicContact CD2-CB 4.04Å; L108-R114 HydrophobicContact CD2-CG 3.97Å; L108-R114 HydrophobicContact CG-CB 4.46Å; L108-R114 HydrophobicContact CG-CG 4.07Å; E112-R114 HydrophobicContact CG-CG 4.39Å; E112-R114 IonicContact OE1-CZ 3.86Å; E112-R114 VanDerWaalsContact OE1-CZ 3.27Å; E112-R114 IonicContact OE1-NE 2.81Å; E112-R114 PolarHBondContact OE1-NE 2.84Å; E112-R114 IonicContact OE1-NH2 2.74Å; E112-R114 PolarHBondContact OE1-NH2 3.03Å
115K88.9Confident88Confident103 Ų10353.6 Ų53.645%0.44830%0.304SS..EExtended strand (participates in β ladder)trans-107.7133.9173.6-69.5-174.1161.6-157.50109.8Q45 F46Q45-K115 HydrophobicContact CG-CB 4.46Å; Q45-K115 HydrophobicContact CG-CD 4.21Å; F46-K115 WeakPolarHBondContact O-CA 3.22Å
116L92.5Very high87.4Confident0 Ų055.2 Ų55.20%032%0.315CS..EExtended strand (participates in β ladder)trans-108.3123.5168.2171.771.2000107.2F46 L48 I56 I75 Q77 L103F46-L116 HydrophobicContact CB-CB 4.26Å; F46-L116 HydrophobicContact CD2-CD2 4.37Å; F46-L116 HydrophobicContact CD2-CG 4.43Å; F46-L116 PolarHBondContact N-O 2.83Å; F46-L116 PolarHBondContact O-N 2.67Å; L48-L116 HydrophobicContact CD1-CB 4.19Å; I56-L116 HydrophobicContact CD1-CD2 3.76Å; I56-L116 HydrophobicContact CG2-CD2 4.33Å; I75-L116 HydrophobicContact CG2-CD1 3.65Å; Q77-L116 HydrophobicContact CG-CD1 3.9Å; L103-L116 HydrophobicContact CD1-CD1 3.94Å; L103-L116 HydrophobicContact CD1-CD2 4.04Å
117T93Very high86.9Confident13 Ų1360.5 Ų60.58%0.0835%0.351CS..EExtended strand (participates in β ladder)trans-107.1130.3175.5-88.20000109E43 Y44 Q45 I75 K76E43-T117 VanDerWaalsContact CD-CG2 3.43Å; E43-T117 HydrophobicContact CG-CG2 3.52Å; E43-T117 WeakPolarHBondContact OE1-CG2 3.47Å; E43-T117 PolarHBondContact OE1-OG1 2.97Å; Y44-T117 CarbonylContact O-C 3.52Å; Y44-T117 WeakPolarHBondContact O-CA 3.43Å; Q45-T117 PolarHBondContact NE2-OG1 3.07Å; I75-T117 WeakPolarHBondContact CA-O 3.44Å; K76-T117 HydrophobicContact CB-CG2 4.26Å; K76-T117 HydrophobicContact CD-CG2 3.88Å; K76-T117 HydrophobicContact CG-CG2 4.3Å; K76-T117 PolarHBondContact N-O 3.35Å; K76-T117 PolarHBondContact O-N 3Å
118V94.5Very high86.7Confident0 Ų060 Ų600%035%0.35CS..EExtended strand (participates in β ladder)trans-114.1113167.7-177.30000108.7Y44 F46 V73 I75 L134Y44-V118 PolarHBondContact N-O 3.37Å; Y44-V118 PolarHBondContact O-N 3.04Å; F46-V118 HydrophobicContact CD2-CG2 4.3Å; F46-V118 HydrophobicContact CE2-CB 4.16Å; F46-V118 HydrophobicContact CE2-CG2 3.75Å; V73-V118 HydrophobicContact CG1-CG1 4.03Å; I75-V118 HydrophobicContact CG1-CG1 4.32Å; I75-V118 HydrophobicContact CG1-CG2 4.28Å; I75-V118 HydrophobicContact CG2-CG2 4.41Å; V118-L134 HydrophobicContact CB-CD2 4.27Å; V118-L134 HydrophobicContact CG1-CD1 3.94Å; V118-L134 HydrophobicContact CG1-CD2 4Å
119E93.7Very high86.6Confident20 Ų2064.4 Ų64.49%0.09337%0.369CS..EExtended strand (participates in β ladder)trans-98.6135.6176.8173.1-176.6148.700110K41 I42 V73 V74 K76K41-E119 HydrophobicContact CD-CG 4.24Å; K41-E119 WeakPolarHBondContact CE-OE1 3.38Å; K41-E119 WeakPolarHBondContact CE-OE2 3.34Å; K41-E119 HydrophobicContact CG-CG 4.11Å; K41-E119 IonicContact NZ-OE1 2.67Å; K41-E119 PolarHBondContact NZ-OE1 3.17Å; K41-E119 IonicContact NZ-OE2 2.67Å; K41-E119 PolarHBondContact NZ-OE2 2.88Å; I42-E119 WeakPolarHBondContact O-CA 3.37Å; V73-E119 WeakPolarHBondContact CA-O 3.12Å; V74-E119 HydrophobicContact CB-CB 4.23Å; V74-E119 PolarHBondContact N-O 3.15Å; V74-E119 PolarHBondContact O-N 3.08Å; K76-E119 VanDerWaalsContact CE-OE2 3.25Å; K76-E119 WeakPolarHBondContact CE-OE2 3.34Å; K76-E119 IonicContact NZ-OE2 2.81Å; K76-E119 PolarHBondContact NZ-OE2 2.61Å
120L93.3Very high86.7Confident0 Ų058.9 Ų58.90%034%0.34CS..EExtended strand (participates in β ladder)trans-121.1136.6174.7-64.8163.6000109.2I36 I42 Y44 V60 I71 V73 Y132 L134I36-L120 VanDerWaalsContact CD1-C 3.47Å; I36-L120 HydrophobicContact CD1-CB 3.98Å; I36-L120 VanDerWaalsContact CD1-O 3.25Å; I36-L120 WeakPolarHBondContact CD1-O 3.29Å; I42-L120 PolarHBondContact N-O 2.8Å; I42-L120 VanDerWaalsContact N-O 3.1Å; I42-L120 PolarHBondContact O-N 2.82Å; Y44-L120 HydrophobicContact CD2-CD1 4.18Å; Y44-L120 HydrophobicContact CE2-CD1 3.84Å; V60-L120 HydrophobicContact CG1-CD2 4.48Å; V60-L120 HydrophobicContact CG2-CD2 4.5Å; I71-L120 HydrophobicContact CG2-CB 4.39Å; I71-L120 HydrophobicContact CG2-CD2 3.76Å; V73-L120 HydrophobicContact CB-CD2 4.26Å; V73-L120 HydrophobicContact CG1-CD2 4.02Å; V73-L120 HydrophobicContact CG2-CD2 3.82Å; L120-Y132 HydrophobicContact CD1-CD2 3.88Å; L120-Y132 HydrophobicContact CD1-CE2 3.49Å; L120-Y132 VanDerWaalsContact CD1-CE2 3.49Å; L120-L134 HydrophobicContact CD1-CB 4.39Å; L120-L134 HydrophobicContact CD1-CD2 4.28Å
121S91.7Very high87.2Confident26 Ų2659.6 Ų59.618%0.18233%0.325CS..EExtended strand (participates in β ladder)trans-146.9160.2176.857.40000111.3I71 L72I71-S121 CarbonylContact C-O 3.5Å; I71-S121 WeakPolarHBondContact CA-O 3.28Å; L72-S121 PolarHBondContact N-O 2.97Å; L72-S121 PolarHBondContact O-N 3.46Å; L72-S121 PolarHBondContact O-OG 2.91Å
122N89.8Confident87.8Confident15 Ų1555.9 Ų55.98%0.0829%0.285CS..  trans-148.2160175.8-166-34.5000108.7I36 Q38 Y69 I124 V130I36-N122 HydrophobicContact CG2-CB 3.98Å; Q38-N122 WeakPolarHBondContact CA-O 3.46Å; Y69-N122 PolarHBondContact O-ND2 2.83Å; Y69-N122 VanDerWaalsContact O-ND2 3.17Å; N122-I124 HydrophobicContact CB-CG2 4.37Å; N122-I124 PolarHBondContact OD1-N 3.37Å; N122-V130 VanDerWaalsContact ND2-CG2 3.29Å; N122-V130 WeakPolarHBondContact ND2-CG2 3.48Å
123A85.4Confident88.2Confident64 Ų6455.1 Ų55.153%0.52928%0.283SS..  trans-101.43.9174.800000114.1K125A123-K125 PolarHBondContact O-N 2.89Å
124I83.4Confident88.6Confident9 Ų950.9 Ų50.95%0.04626%0.257CS..PPolyproline II helixtrans-69125.6-178.4-161.8168.2000112.5Q38 Y69 N122 Q128 V130Q38-I124 VanDerWaalsContact CB-O 3.26Å; Q38-I124 WeakPolarHBondContact CB-O 3.39Å; Q38-I124 PolarHBondContact N-O 3.12Å; Y69-I124 HydrophobicContact CD1-CB 3.96Å; Y69-I124 HydrophobicContact CD1-CG1 4.14Å; Y69-I124 HydrophobicContact CD2-CD1 4Å; Y69-I124 HydrophobicContact CD2-CG1 4.16Å; Y69-I124 HydrophobicContact CG-CB 3.97Å; Y69-I124 HydrophobicContact CG-CD1 4.06Å; Y69-I124 HydrophobicContact CG-CG1 3.94Å; N122-I124 HydrophobicContact CB-CG2 4.37Å; N122-I124 PolarHBondContact OD1-N 3.37Å; I124-Q128 HydrophobicContact CD1-CB 3.71Å; I124-Q128 HydrophobicContact CG1-CB 3.92Å; I124-V130 HydrophobicContact CD1-CG2 4.05Å; I124-V130 HydrophobicContact CG2-CG2 4.31Å
125K81.2Confident89Confident149 Ų14950.4 Ų50.465%0.64826%0.257SS*.PPolyproline II helixtrans-71.3137.8-179-76.2177.2179.31800111.8A123 Q128A123-K125 PolarHBondContact O-N 2.89Å; K125-Q128 PolarHBondContact O-N 3.03Å
126P76.9Confident89.3Confident62 Ų6245.5 Ų45.540%0.40324%0.236SC..THydrogen-bonded Turntrans-56.2150168.4-15.625000111.4D39D39-P126 WeakPolarHBondContact OD2-CG 3.3Å
127P78.7Confident89.4Confident129 Ų12948.8 Ų48.884%0.83825%0.251SS*.THydrogen-bonded Turncis-85.52.36.635.3-37.4000114.4
128Q82.5Confident89.4Confident125 Ų12549.4 Ų49.458%0.58425%0.254SS*.  trans-71.1141.6177.1-70.2-175-2.400110.7I124 K125I124-Q128 HydrophobicContact CD1-CB 3.71Å; I124-Q128 HydrophobicContact CG1-CB 3.92Å; K125-Q128 PolarHBondContact O-N 3.03Å
129K85.4Confident89.3Confident108 Ų10851 Ų5147%0.4726%0.264SS..  trans-137.5149.8179.5-58.3-176.8-174.4179.50109.8E35 I36E35-K129 HydrophobicContact CB-CB 4.21Å; E35-K129 HydrophobicContact CB-CD 3.84Å; E35-K129 VanDerWaalsContact OE2-CD 3.27Å; E35-K129 WeakPolarHBondContact OE2-CD 3.45Å; E35-K129 IonicContact OE2-NZ 3.33Å; E35-K129 PolarHBondContact OE2-NZ 3.47Å; I36-K129 WeakPolarHBondContact O-CA 3.49Å
130V87.5Confident88.9Confident9 Ų955.6 Ų55.66%0.05530%0.295CS..EExtended strand (participates in β ladder)trans-102.4127.81731770000109.5E35 I36 N62 I71 N122 I124E35-V130 WeakPolarHBondContact CA-O 3.34Å; I36-V130 HydrophobicContact CG2-CB 4.46Å; I36-V130 PolarHBondContact N-O 3.05Å; I36-V130 PolarHBondContact O-N 2.82Å; N62-V130 WeakPolarHBondContact ND2-CG1 3.36Å; N62-V130 VanDerWaalsContact OD1-CG1 3.22Å; N62-V130 WeakPolarHBondContact OD1-CG1 3.47Å; I71-V130 HydrophobicContact CD1-CG1 3.85Å; I71-V130 HydrophobicContact CG1-CG1 3.93Å; N122-V130 VanDerWaalsContact ND2-CG2 3.29Å; N122-V130 WeakPolarHBondContact ND2-CG2 3.48Å; I124-V130 HydrophobicContact CD1-CG2 4.05Å; I124-V130 HydrophobicContact CG2-CG2 4.31Å
131R91.1Very high88.6Confident152 Ų15259.9 Ų59.957%0.57432%0.318SS*.EExtended strand (participates in β ladder)trans-81.3133174.3-80177.9178.8-178.1-0.7110.6G34 E35 Y63G34-R131 WeakPolarHBondContact O-CA 3.37Å; E35-R131 HydrophobicContact CG-CG 3.61Å; E35-R131 IonicContact OE1-CZ 3.28Å; E35-R131 VanDerWaalsContact OE1-CZ 3.28Å; E35-R131 IonicContact OE1-NE 2.77Å; E35-R131 PolarHBondContact OE1-NE 2.93Å; E35-R131 IonicContact OE1-NH2 2.88Å; E35-R131 PolarHBondContact OE1-NH2 2.77Å; Y63-R131 HydrophobicContact CD2-CB 3.97Å; Y63-R131 HydrophobicContact CG-CB 4.47Å; Y63-R131 PolarHBondContact N-O 2.83Å
132Y92.9Very high88.6Confident4 Ų458.9 Ų58.92%0.01631%0.311CS..EExtended strand (participates in β ladder)trans-135158.3-179.873-93.4000112.8N33 G34 I36 I42 Y44 A61 I71 L120 L134N33-Y132 WeakPolarHBondContact CA-O 3.22Å; G34-Y132 VanDerWaalsContact C-CE1 3.43Å; G34-Y132 PolarHBondContact N-O 2.92Å; G34-Y132 WeakPolarHBondContact O-CD1 3.39Å; G34-Y132 PolarHBondContact O-N 2.95Å; I36-Y132 HydrophobicContact CB-CD1 4.27Å; I36-Y132 HydrophobicContact CB-CE1 4.12Å; I36-Y132 HydrophobicContact CG2-CD1 4.11Å; I36-Y132 HydrophobicContact CG2-CE1 4.44Å; I42-Y132 HydrophobicContact CD1-CE1 3.92Å; I42-Y132 VanDerWaalsContact CD1-OH 3.26Å; I42-Y132 WeakPolarHBondContact CD1-OH 3.36Å; Y44-Y132 HydrophobicContact CE2-CE2 4.21Å; Y44-Y132 PolarHBondContact OH-OH 2.95Å; A61-Y132 CarbonylContact O-C 3.58Å; A61-Y132 VanDerWaalsContact O-CA 3.23Å; A61-Y132 WeakPolarHBondContact O-CA 3.36Å; I71-Y132 HydrophobicContact CD1-CG 4.49Å; L120-Y132 HydrophobicContact CD1-CD2 3.88Å; L120-Y132 HydrophobicContact CD1-CE2 3.49Å; L120-Y132 VanDerWaalsContact CD1-CE2 3.49Å; Y132-L134 HydrophobicContact CD2-CB 4.44Å; Y132-L134 HydrophobicContact CE2-CB 4.37Å
133M94.7Very high88.8Confident40 Ų4061.1 Ų61.120%0.19732%0.322CS..EExtended strand (participates in β ladder)trans-120.5131161.8-175.9-157.976.600108.4P31 Y32 N33 V60 A61 Y63 L135P31-M133 HydrophobicContact CB-CG 4.33Å; P31-M133 HydrophobicContact CB-SD 4.34Å; Y32-M133 CarbonylContact O-C 3.56Å; Y32-M133 WeakPolarHBondContact O-CA 3.32Å; N33-M133 WeakPolarHBondContact OD1-CB 3.22Å; N33-M133 WeakPolarHBondContact OD1-CG 3.33Å; V60-M133 VanDerWaalsContact CA-O 3.32Å; V60-M133 WeakPolarHBondContact CA-O 3.35Å; A61-M133 HydrophobicContact CB-CB 4.24Å; A61-M133 HydrophobicContact CB-CE 4.28Å; A61-M133 PolarHBondContact N-O 3.47Å; A61-M133 PolarHBondContact O-N 2.87Å; Y63-M133 HydrophobicContact CE2-CB 3.92Å; M133-L135 HydrophobicContact CE-CB 4.16Å
134L95.2Very high89.1Confident0 Ų058.7 Ų58.70%030%0.301CS..EExtended strand (participates in β ladder)trans-110.9129.9167.617267.6000108.9Y32 Y44 F46 V58 H59 V60 V118 L120 Y132Y32-L134 PolarHBondContact N-O 3.1Å; Y32-L134 PolarHBondContact O-N 2.97Å; Y44-L134 HydrophobicContact CD1-CD2 4.49Å; Y44-L134 HydrophobicContact CD2-CD2 3.28Å; Y44-L134 HydrophobicContact CE2-CD2 3.78Å; Y44-L134 HydrophobicContact CG-CD2 3.68Å; F46-L134 HydrophobicContact CZ-CD2 4.4Å; V58-L134 HydrophobicContact CG1-CD1 3.62Å; H59-L134 WeakPolarHBondContact O-CA 3.14Å; V60-L134 HydrophobicContact CG2-CD1 3.75Å; V118-L134 HydrophobicContact CB-CD2 4.27Å; V118-L134 HydrophobicContact CG1-CD1 3.94Å; V118-L134 HydrophobicContact CG1-CD2 4Å; L120-L134 HydrophobicContact CD1-CB 4.39Å; L120-L134 HydrophobicContact CD1-CD2 4.28Å; Y132-L134 HydrophobicContact CD2-CB 4.44Å; Y132-L134 HydrophobicContact CE2-CB 4.37Å
135L96.2Very high89.4Confident30 Ų3063.6 Ų63.616%0.15732%0.323CS..EExtended strand (participates in β ladder)trans-134119.3170.4169.166000108.9E30 P31 V58 H59 M133 Q137E30-L135 WeakPolarHBondContact O-CD1 3.47Å; P31-L135 HydrophobicContact CB-CB 4.49Å; P31-L135 HydrophobicContact CB-CD1 4.4Å; V58-L135 WeakPolarHBondContact CA-O 3.43Å; H59-L135 HydrophobicContact CB-CB 4.28Å; H59-L135 PolarHBondContact N-O 3.08Å; H59-L135 PolarHBondContact O-N 2.78Å; M133-L135 HydrophobicContact CE-CB 4.16Å; L135-Q137 HydrophobicContact CD1-CB 4.36Å; L135-Q137 HydrophobicContact CG-CB 4.27Å
136A94.9Very high89.7Confident0 Ų058.2 Ų58.20%031%0.305CS..EExtended strand (participates in β ladder)trans-105.399.3171.100000108.5L28 D29 F46 I56 V58L28-A136 WeakPolarHBondContact CA-O 3.35Å; L28-A136 HydrophobicContact CD2-CB 4.07Å; L28-A136 WeakPolarHBondContact CD2-O 3.38Å; D29-A136 PolarHBondContact N-O 2.74Å; F46-A136 HydrophobicContact CD1-CB 4.35Å; F46-A136 HydrophobicContact CE1-CB 3.72Å; F46-A136 HydrophobicContact CE2-CB 4.24Å; F46-A136 HydrophobicContact CZ-CB 3.67Å; I56-A136 HydrophobicContact CG2-CB 4.14Å; V58-A136 HydrophobicContact CG2-CB 4.2Å
137Q94.7Very high90.2Very high70 Ų7057.6 Ų57.633%0.32731%0.309SS..EExtended strand (participates in β ladder)trans-106.8150.1-176.164174.2-4.500112.5D29 I56 R57 H59 L135D29-Q137 WeakPolarHBondContact OD1-CA 3.26Å; D29-Q137 WeakPolarHBondContact OD1-CB 3.4Å; I56-Q137 CarbonylContact C-O 3.53Å; I56-Q137 WeakPolarHBondContact CA-O 3.33Å; R57-Q137 HydrophobicContact CB-CG 4.4Å; R57-Q137 PolarHBondContact N-O 3.06Å; R57-Q137 PolarHBondContact O-N 2.82Å; H59-Q137 PolarHBondContact NE2-NE2 2.72Å; L135-Q137 HydrophobicContact CD1-CB 4.36Å; L135-Q137 HydrophobicContact CG-CB 4.27Å
138L93.2Very high90.8Very high25 Ų2555 Ų5513%0.13129%0.288CS..EExtended strand (participates in β ladder)trans-75.6141.8172.5-162.679.4000110.3D29 R51 F54 P140D29-L138 PolarHBondContact OD1-N 2.82Å; R51-L138 VanDerWaalsContact CZ-CD2 3.5Å; F54-L138 HydrophobicContact CD1-CD1 3.82Å; L138-P140 VanDerWaalsContact O-CD 3.22Å; L138-P140 WeakPolarHBondContact O-CD 3.47Å
139V92.2Very high91.3Very high34 Ų3454 Ų5421%0.20628%0.283CS..  trans-98101.9174.9-174.30000109.3V55 R57 F142V55-V139 HydrophobicContact CB-CB 4.39Å; V55-V139 HydrophobicContact CG1-CB 4.09Å; V55-V139 HydrophobicContact CG1-CG2 4.23Å; V55-V139 PolarHBondContact O-N 3.13Å; R57-V139 HydrophobicContact CB-CG2 3.76Å; V139-F142 HydrophobicContact CB-CB 4.46Å; V139-F142 HydrophobicContact CG1-CB 4.02Å
140P85.3Confident91.6Very high117 Ų11751.6 Ų51.676%0.7627%0.271SS*.THydrogen-bonded Turntrans-71.2-42.7-176.826.8-34.1000112.8L138 F142L138-P140 VanDerWaalsContact O-CD 3.22Å; L138-P140 WeakPolarHBondContact O-CD 3.47Å; P140-F142 PolarHBondContact O-N 2.92Å
141D87.3Confident91.9Very high90 Ų9055 Ų5548%0.48130%0.295SS..THydrogen-bonded Turntrans-95.447.6-177.3-77.2-36.5000112R150D141-R150 VanDerWaalsContact CG-NH2 3.32Å; D141-R150 IonicContact OD1-CZ 3.82Å; D141-R150 IonicContact OD1-NH1 3.61Å; D141-R150 PolarHBondContact OD1-NH1 2.87Å; D141-R150 IonicContact OD1-NH2 2.92Å; D141-R150 PolarHBondContact OD1-NH2 3.29Å; D141-R150 IonicContact OD2-CZ 3.82Å; D141-R150 IonicContact OD2-NH1 2.7Å; D141-R150 PolarHBondContact OD2-NH1 3.42Å; D141-R150 IonicContact OD2-NH2 3.27Å
142F92.5Very high92Very high5 Ų549.3 Ų49.32%0.02228%0.276CS..  trans-73.9-30-179.8-179.8-115.5000113.6V55 T102 P105 V139 P140 Y161 L162 R163 F230V55-F142 HydrophobicContact CB-CB 4.38Å; V55-F142 HydrophobicContact CB-CD1 4.39Å; V55-F142 HydrophobicContact CB-CG 4.21Å; V55-F142 HydrophobicContact CG1-CB 4.26Å; V55-F142 HydrophobicContact CG1-CD1 4.19Å; V55-F142 HydrophobicContact CG1-CD2 3.66Å; V55-F142 HydrophobicContact CG1-CE1 4.4Å; V55-F142 HydrophobicContact CG1-CE2 3.93Å; V55-F142 HydrophobicContact CG1-CG 3.78Å; V55-F142 HydrophobicContact CG1-CZ 4.29Å; V55-F142 HydrophobicContact CG2-CB 4.33Å; V55-F142 HydrophobicContact CG2-CD1 3.64Å; V55-F142 HydrophobicContact CG2-CE1 3.98Å; V55-F142 HydrophobicContact CG2-CG 3.95Å; T102-F142 HydrophobicContact CG2-CE2 4.4Å; P105-F142 HydrophobicContact CG-CE1 3.71Å; P105-F142 HydrophobicContact CG-CZ 3.96Å; V139-F142 HydrophobicContact CB-CB 4.46Å; V139-F142 HydrophobicContact CG1-CB 4.02Å; P140-F142 PolarHBondContact O-N 2.92Å; F142-Y161 AromaticContact CE2-CD2 3.82Å; F142-Y161 HydrophobicContact CE2-CD2 3.82Å; F142-Y161 AromaticContact CE2-CE2 3.8Å; F142-Y161 HydrophobicContact CE2-CE2 3.8Å; F142-Y161 WeakPolarHBondContact CE2-O 3.4Å; F142-Y161 HydrophobicContact CZ-CD2 4.07Å; F142-Y161 AromaticContact CZ-CE2 3.85Å; F142-Y161 HydrophobicContact CZ-CE2 3.85Å; F142-L162 HydrophobicContact CD2-CD2 4.18Å; F142-R163 HydrophobicContact CD1-CB 3.78Å; F142-R163 HydrophobicContact CE1-CB 3.34Å; F142-R163 HydrophobicContact CE1-CG 4.34Å; F142-R163 HydrophobicContact CZ-CB 3.83Å; F142-R163 PolarHBondContact O-N 3.34Å; F142-F230 HydrophobicContact CE1-CE1 4.2Å; F142-F230 HydrophobicContact CZ-CD1 4.2Å; F142-F230 AromaticContact CZ-CE1 3.78Å; F142-F230 HydrophobicContact CZ-CE1 3.78Å
143D93.1Very high91.9Very high61 Ų6153.3 Ų53.333%0.32630%0.301SS..BIsolated β-bridgetrans-91.4129180-79.5-58.3000111.6R163D143-R163 CarbonylContact C-O 3.52Å; D143-R163 WeakPolarHBondContact CA-O 3.41Å; D143-R163 WeakPolarHBondContact OD1-CB 3.33Å; D143-R163 VanDerWaalsContact OD1-CG 3.31Å; D143-R163 WeakPolarHBondContact OD1-CG 3.35Å; D143-R163 IonicContact OD1-CZ 3.51Å; D143-R163 IonicContact OD1-NE 3.65Å; D143-R163 PolarHBondContact OD1-NE 2.99Å; D143-R163 IonicContact OD1-NH2 3.6Å; D143-R163 PolarHBondContact OD1-NH2 3.01Å; D143-R163 IonicContact OD2-CZ 3.38Å; D143-R163 IonicContact OD2-NE 2.72Å; D143-R163 IonicContact OD2-NH2 3.21Å; D143-R163 PolarHBondContact OD2-NH2 2.82Å
144L92.7Very high91.8Very high14 Ų1451.5 Ų51.57%0.07329%0.292CS..PPolyproline II helixtrans-84.5124.7176.2-74.1170.2000110.9R150 L162 R163 Y164 L231 I278L144-R150 HydrophobicContact CD2-CB 4.13Å; L144-R150 HydrophobicContact CD2-CG 3.87Å; L144-L162 HydrophobicContact CD1-CB 3.85Å; L144-L162 HydrophobicContact CD1-CD1 4Å; L144-L162 HydrophobicContact CD2-CD1 3.63Å; L144-L162 HydrophobicContact CG-CB 3.97Å; L144-L162 HydrophobicContact CG-CD1 3.81Å; L144-R163 PolarHBondContact N-O 3.2Å; L144-Y164 HydrophobicContact CB-CD2 3.99Å; L144-Y164 VanDerWaalsContact O-CD2 3.26Å; L144-Y164 WeakPolarHBondContact O-CD2 3.44Å; L144-L231 HydrophobicContact CD1-CB 4.18Å; L144-L231 HydrophobicContact CD1-CD2 3.62Å; L144-I278 HydrophobicContact CB-CD1 4.09Å; L144-I278 HydrophobicContact CD1-CD1 3.68Å; L144-I278 HydrophobicContact CG-CD1 4.48Å
145E89.2Confident91.6Very high111 Ų11152 Ų5252%0.51930%0.295SS..PPolyproline II helixtrans-87.9149.9172.3-70.7-178-123.200111.5I148E145-I148 HydrophobicContact CB-CB 4.39Å; E145-I148 HydrophobicContact CB-CD1 3.9Å; E145-I148 HydrophobicContact CB-CG1 4.28Å; E145-I148 WeakPolarHBondContact OE2-CD1 3.49Å
146S88.5Confident91.3Very high37 Ų3750.8 Ų50.826%0.25929%0.289SS..THydrogen-bonded Turntrans-85.2135.3-179.7-170.50000112.3I148 I278 S280S146-I148 VanDerWaalsContact C-N 3.28Å; S146-I278 CarbonylContact C-O 3.19Å; S146-I278 VanDerWaalsContact CA-O 3.22Å; S146-I278 WeakPolarHBondContact CA-O 3.38Å; S146-I278 PolarHBondContact OG-O 3.21Å; S146-S280 VanDerWaalsContact CB-OG 3.22Å; S146-S280 WeakPolarHBondContact CB-OG 3.3Å; S146-S280 VanDerWaalsContact OG-CB 3.24Å; S146-S280 WeakPolarHBondContact OG-CB 3.32Å; S146-S280 PolarHBondContact OG-N 2.82Å; S146-S280 PolarHBondContact OG-OG 3.03Å
147G87.1Confident91.1Very high49 Ų4950.8 Ų50.851%0.50529%0.289SS..THydrogen-bonded Turntrans81.60-178.700000114.6I278G147-I278 PolarHBondContact N-O 2.82Å
148I91.2Very high91Very high75 Ų7549.8 Ų49.839%0.38529%0.285SS..  trans-104.5125.1176.9-59.2-174.7000109E145 S146E145-I148 HydrophobicContact CB-CB 4.39Å; E145-I148 HydrophobicContact CB-CD1 3.9Å; E145-I148 HydrophobicContact CB-CG1 4.28Å; E145-I148 WeakPolarHBondContact OE2-CD1 3.49Å; S146-I148 VanDerWaalsContact C-N 3.28Å
149E92.5Very high91Very high104 Ų10448.7 Ų48.749%0.48628%0.279SS..  trans-70.9127.3171.4-70.2-166.9172.800110.6K275 I276 L277E149-K275 IonicContact OE2-NZ 2.69Å; E149-K275 PolarHBondContact OE2-NZ 2.81Å; E149-I276 CarbonylContact C-O 3.56Å; E149-I276 WeakPolarHBondContact CA-O 3.4Å; E149-L277 HydrophobicContact CG-CB 4.48Å; E149-L277 HydrophobicContact CG-CD1 4.23Å
150R92.2Very high91.1Very high57 Ų5748.2 Ų48.222%0.21528%0.275CS..EExtended strand (participates in β ladder)trans-111.3128169.8-66.9-58.2-161.9140.86.1110.1D141 L144 K275 I276D141-R150 VanDerWaalsContact CG-NH2 3.32Å; D141-R150 IonicContact OD1-CZ 3.82Å; D141-R150 IonicContact OD1-NH1 3.61Å; D141-R150 PolarHBondContact OD1-NH1 2.87Å; D141-R150 IonicContact OD1-NH2 2.92Å; D141-R150 PolarHBondContact OD1-NH2 3.29Å; D141-R150 IonicContact OD2-CZ 3.82Å; D141-R150 IonicContact OD2-NH1 2.7Å; D141-R150 PolarHBondContact OD2-NH1 3.42Å; D141-R150 IonicContact OD2-NH2 3.27Å; L144-R150 HydrophobicContact CD2-CB 4.13Å; L144-R150 HydrophobicContact CD2-CG 3.87Å; R150-K275 WeakPolarHBondContact O-CA 3.25Å; R150-I276 PolarHBondContact N-O 3.32Å; R150-I276 PolarHBondContact O-N 2.98Å
151S93.6Very high91.5Very high81 Ų8143 Ų4357%0.56624%0.24SC*.EExtended strand (participates in β ladder)trans-105.4127.1179.4-62.30000110.2V274S151-V274 CarbonylContact C-O 3.51Å; S151-V274 WeakPolarHBondContact CA-O 3.26Å
152I92Very high91.9Very high31 Ų3139.2 Ų39.216%0.15922%0.22CC..EExtended strand (participates in β ladder)trans-137.3148-171.2-55.3-174.2000109.6V154 I160 L162 S273 V274 I276I152-V154 HydrophobicContact CG2-CG2 4.26Å; I152-I160 HydrophobicContact CG2-CD1 3.4Å; I152-I160 VanDerWaalsContact CG2-CD1 3.4Å; I152-I160 HydrophobicContact CG2-CG2 4.39Å; I152-L162 HydrophobicContact CD1-CD1 3.47Å; I152-L162 VanDerWaalsContact CD1-CD1 3.47Å; I152-L162 HydrophobicContact CD1-CG 4.45Å; I152-S273 CarbonylContact O-C 3.31Å; I152-S273 WeakPolarHBondContact O-CA 3.1Å; I152-V274 PolarHBondContact N-O 3.14Å; I152-V274 PolarHBondContact O-N 2.72Å; I152-I276 HydrophobicContact CD1-CD1 3.65Å; I152-I276 HydrophobicContact CG1-CD1 4.33Å
153V92.6Very high92Very high89 Ų8940.2 Ų40.254%0.53922%0.223SC..EExtended strand (participates in β ladder)trans-107.8129169.6-178.60000108.9I160 K272V153-I160 VanDerWaalsContact O-CD1 3.32Å; V153-I160 WeakPolarHBondContact O-CD1 3.36Å; V153-K272 WeakPolarHBondContact CA-O 3.41Å
154V92.4Very high92Very high1 Ų137.3 Ų37.31%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-117.9141.8-179.5-168.20000109.3I152 I160 L233 L235 S271 K272I152-V154 HydrophobicContact CG2-CG2 4.26Å; V154-I160 HydrophobicContact CG2-CD1 4.44Å; V154-L233 HydrophobicContact CG1-CB 4.47Å; V154-L233 HydrophobicContact CG2-CB 4.07Å; V154-L233 HydrophobicContact CG2-CD1 4.22Å; V154-L235 HydrophobicContact CG1-CB 4.24Å; V154-S271 WeakPolarHBondContact O-CA 3.41Å; V154-K272 PolarHBondContact N-O 2.77Å; V154-K272 PolarHBondContact O-N 2.88Å
155S91.3Very high91.9Very high11 Ų1140.5 Ų40.58%0.07723%0.225CC..BIsolated β-bridgetrans-130.6161.7172880000110.6A157 E158S155-A157 PolarHBondContact O-N 2.83Å; S155-E158 CarbonylContact O-C 3.6Å; S155-E158 PolarHBondContact O-N 2.84Å; S155-E158 VanDerWaalsContact O-N 3.14Å; S155-E158 VanDerWaalsContact OG-CB 3.25Å; S155-E158 WeakPolarHBondContact OG-CB 3.29Å; S155-E158 VanDerWaalsContact OG-CG 3.24Å; S155-E158 WeakPolarHBondContact OG-CG 3.37Å; S155-E158 PolarHBondContact OG-OE2 3.41Å
156P90Very high91.7Very high5 Ų536.8 Ų36.83%0.03221%0.206CC..THydrogen-bonded Turntrans-68.1-30.1-169.9-24.237.7000114.6L90 Y96 L235 R270L90-P156 HydrophobicContact CD1-CB 3.68Å; Y96-P156 HydrophobicContact CE1-CG 4.35Å; Y96-P156 HydrophobicContact CE2-CB 4.29Å; P156-L235 WeakPolarHBondContact CA-O 3.27Å; P156-L235 HydrophobicContact CG-CB 4.16Å; P156-L235 HydrophobicContact CG-CD2 4.08Å; P156-L235 HydrophobicContact CG-CG 4.33Å; P156-R270 WeakPolarHBondContact CD-O 3.45Å
157A89.9Confident91.5Very high0 Ų037 Ų370%021%0.206CC..THydrogen-bonded Turntrans-93.70.3175.900000113.2M88 Y96 N98 V99 S100 S155 P159M88-A157 HydrophobicContact CB-CB 4.25Å; M88-A157 HydrophobicContact SD-CB 4.28Å; Y96-A157 VanDerWaalsContact CB-CB 3.48Å; Y96-A157 HydrophobicContact CD1-CB 4.39Å; Y96-A157 HydrophobicContact CD2-CB 4.26Å; Y96-A157 HydrophobicContact CG-CB 3.81Å; N98-A157 WeakPolarHBondContact O-CB 3.38Å; V99-A157 HydrophobicContact CG2-CB 4.42Å; S100-A157 PolarHBondContact N-O 2.85Å; S100-A157 VanDerWaalsContact N-O 3.12Å; S155-A157 PolarHBondContact O-N 2.83Å; A157-P159 VanDerWaalsContact C-CD 3.42Å
158E92.9Very high91.1Very high49 Ų4940.3 Ų40.323%0.22922%0.219CC..BIsolated β-bridgetrans-131.455.9-177.9-51.7-17787.400111R57 S100 S155R57-E158 PolarHBondContact NH2-O 3.1Å; S100-E158 WeakPolarHBondContact CB-OE1 3.37Å; S100-E158 WeakPolarHBondContact OG-CG 3.38Å; S100-E158 PolarHBondContact OG-OE1 2.81Å; S155-E158 CarbonylContact O-C 3.6Å; S155-E158 PolarHBondContact O-N 2.84Å; S155-E158 VanDerWaalsContact O-N 3.14Å; S155-E158 VanDerWaalsContact OG-CB 3.25Å; S155-E158 WeakPolarHBondContact OG-CB 3.29Å; S155-E158 VanDerWaalsContact OG-CG 3.24Å; S155-E158 WeakPolarHBondContact OG-CG 3.37Å; S155-E158 PolarHBondContact OG-OE2 3.41Å
159P93.7Very high90.2Very high1 Ų144.8 Ų44.81%0.00624%0.239CC..  trans-57.7152.1178.628.7-36.7000110.8R57 A157 D198 V234R57-P159 PolarHBondContact NH1-O 2.86Å; R57-P159 PolarHBondContact NH2-O 2.74Å; A157-P159 VanDerWaalsContact C-CD 3.42Å; P159-D198 HydrophobicContact CB-CB 4.24Å; P159-D198 VanDerWaalsContact CB-O 3.23Å; P159-D198 WeakPolarHBondContact CB-O 3.42Å; P159-D198 HydrophobicContact CG-CB 4.19Å; P159-D198 WeakPolarHBondContact CG-O 3.4Å; P159-V234 HydrophobicContact CB-CG2 4.08Å
160I93.3Very high89.2Confident25 Ų2543.5 Ų43.513%0.12823%0.231CC..EExtended strand (participates in β ladder)trans-125.9133.8-178.8-68175.2000108.3I152 V153 V154 L162 L233I152-I160 HydrophobicContact CG2-CD1 3.4Å; I152-I160 VanDerWaalsContact CG2-CD1 3.4Å; I152-I160 HydrophobicContact CG2-CG2 4.39Å; V153-I160 VanDerWaalsContact O-CD1 3.32Å; V153-I160 WeakPolarHBondContact O-CD1 3.36Å; V154-I160 HydrophobicContact CG2-CD1 4.44Å; I160-L162 HydrophobicContact CG2-CD2 4.48Å; I160-L162 HydrophobicContact CG2-CG 4.33Å; I160-L233 PolarHBondContact N-O 2.73Å; I160-L233 VanDerWaalsContact N-O 3.12Å; I160-L233 PolarHBondContact O-N 2.81Å
161Y94.6Very high88.3Confident6 Ų646.2 Ų46.22%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-127150161.666.4-93000110.8T102 L103 C104 F142 V196 D198 F230 L231T102-Y161 HydrophobicContact CG2-CE1 4.07Å; T102-Y161 HydrophobicContact CG2-CE2 4.09Å; T102-Y161 VanDerWaalsContact O-CE1 3.28Å; T102-Y161 WeakPolarHBondContact O-CE1 3.46Å; T102-Y161 PolarHBondContact O-OH 2.81Å; L103-Y161 PolarHBondContact O-OH 3.24Å; L103-Y161 VanDerWaalsContact O-OH 3.06Å; C104-Y161 PolarHBondContact N-OH 2.85Å; F142-Y161 AromaticContact CE2-CD2 3.82Å; F142-Y161 HydrophobicContact CE2-CD2 3.82Å; F142-Y161 AromaticContact CE2-CE2 3.8Å; F142-Y161 HydrophobicContact CE2-CE2 3.8Å; F142-Y161 WeakPolarHBondContact CE2-O 3.4Å; F142-Y161 HydrophobicContact CZ-CD2 4.07Å; F142-Y161 AromaticContact CZ-CE2 3.85Å; F142-Y161 HydrophobicContact CZ-CE2 3.85Å; Y161-V196 HydrophobicContact CD1-CG1 4.07Å; Y161-V196 HydrophobicContact CD2-CG1 4.43Å; Y161-V196 HydrophobicContact CE1-CB 4.35Å; Y161-V196 HydrophobicContact CE1-CG1 4.39Å; Y161-V196 HydrophobicContact CE2-CG2 4.22Å; Y161-V196 HydrophobicContact CG-CG1 4.09Å; Y161-D198 HydrophobicContact CD1-CB 4.39Å; Y161-F230 HydrophobicContact CD2-CD1 4.11Å; Y161-F230 HydrophobicContact CD2-CG 4.44Å; Y161-F230 HydrophobicContact CE2-CD1 4.47Å; Y161-F230 HydrophobicContact CE2-CE1 4.49Å; Y161-L231 CarbonylContact C-O 3.57Å; Y161-L231 WeakPolarHBondContact CA-O 3.43Å; Y161-L231 WeakPolarHBondContact CB-O 3.33Å
162L95.1Very high87.6Confident12 Ų1243.3 Ų43.36%0.06322%0.224CC..EExtended strand (participates in β ladder)trans-129.1159.5178.7-63.9179.6000109.6F142 L144 I152 I160 F230 L231 I276F142-L162 HydrophobicContact CD2-CD2 4.18Å; L144-L162 HydrophobicContact CD1-CB 3.85Å; L144-L162 HydrophobicContact CD1-CD1 4Å; L144-L162 HydrophobicContact CD2-CD1 3.63Å; L144-L162 HydrophobicContact CG-CB 3.97Å; L144-L162 HydrophobicContact CG-CD1 3.81Å; I152-L162 HydrophobicContact CD1-CD1 3.47Å; I152-L162 VanDerWaalsContact CD1-CD1 3.47Å; I152-L162 HydrophobicContact CD1-CG 4.45Å; I160-L162 HydrophobicContact CG2-CD2 4.48Å; I160-L162 HydrophobicContact CG2-CG 4.33Å; L162-F230 CarbonylContact O-C 3.59Å; L162-F230 VanDerWaalsContact O-CA 3.29Å; L162-F230 WeakPolarHBondContact O-CA 3.39Å; L162-L231 PolarHBondContact N-O 3.13Å; L162-L231 PolarHBondContact O-N 3.45Å; L162-I276 HydrophobicContact CD1-CD1 4.44Å
163R94.4Very high87.2Confident25 Ų2541.9 Ų41.99%0.09422%0.217CC..EExtended strand (participates in β ladder)trans-98.1141.3175.417916868.2-168.73.2110.1E53 F142 D143 L144 L165 L192 F230E53-R163 IonicContact OE1-CZ 3.34Å; E53-R163 IonicContact OE1-NH1 2.67Å; E53-R163 PolarHBondContact OE1-NH1 3.18Å; E53-R163 IonicContact OE2-CZ 3.41Å; E53-R163 VanDerWaalsContact OE2-CZ 3.25Å; E53-R163 IonicContact OE2-NH1 3.81Å; E53-R163 PolarHBondContact OE2-NH1 2.94Å; E53-R163 IonicContact OE2-NH2 3.77Å; E53-R163 PolarHBondContact OE2-NH2 2.65Å; F142-R163 HydrophobicContact CD1-CB 3.78Å; F142-R163 HydrophobicContact CE1-CB 3.34Å; F142-R163 HydrophobicContact CE1-CG 4.34Å; F142-R163 HydrophobicContact CZ-CB 3.83Å; F142-R163 PolarHBondContact O-N 3.34Å; D143-R163 CarbonylContact C-O 3.52Å; D143-R163 WeakPolarHBondContact CA-O 3.41Å; D143-R163 WeakPolarHBondContact OD1-CB 3.33Å; D143-R163 VanDerWaalsContact OD1-CG 3.31Å; D143-R163 WeakPolarHBondContact OD1-CG 3.35Å; D143-R163 IonicContact OD1-CZ 3.51Å; D143-R163 IonicContact OD1-NE 3.65Å; D143-R163 PolarHBondContact OD1-NE 2.99Å; D143-R163 IonicContact OD1-NH2 3.6Å; D143-R163 PolarHBondContact OD1-NH2 3.01Å; D143-R163 IonicContact OD2-CZ 3.38Å; D143-R163 IonicContact OD2-NE 2.72Å; D143-R163 IonicContact OD2-NH2 3.21Å; D143-R163 PolarHBondContact OD2-NH2 2.82Å; L144-R163 PolarHBondContact N-O 3.2Å; R163-L165 HydrophobicContact CG-CD2 4.22Å; R163-L165 HydrophobicContact CG-CG 4.14Å; R163-L192 HydrophobicContact CG-CD2 3.82Å; R163-F230 HydrophobicContact CB-CD1 4.09Å; R163-F230 HydrophobicContact CB-CE1 4.06Å; R163-F230 HydrophobicContact CG-CE1 4.34Å
164Y92.8Very high86.8Confident1 Ų139.8 Ų39.80%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-123127.7165.7179.9-98.9000109.2L144 Y166 P167 A173 G228 F229 I278 S280L144-Y164 HydrophobicContact CB-CD2 3.99Å; L144-Y164 VanDerWaalsContact O-CD2 3.26Å; L144-Y164 WeakPolarHBondContact O-CD2 3.44Å; Y164-Y166 AromaticContact CE1-CD1 3.9Å; Y164-Y166 HydrophobicContact CE1-CD1 3.9Å; Y164-Y166 HydrophobicContact CE1-CE1 4.08Å; Y164-Y166 HydrophobicContact CE1-CG 4.34Å; Y164-P167 VanDerWaalsContact OH-CD 3.24Å; Y164-P167 WeakPolarHBondContact OH-CD 3.36Å; Y164-A173 HydrophobicContact CE1-CB 3.85Å; Y164-G228 CarbonylContact O-C 3.59Å; Y164-G228 WeakPolarHBondContact O-CA 3.14Å; Y164-F229 HydrophobicContact CD1-CD1 4.14Å; Y164-F229 AromaticContact CD1-CE1 3.4Å; Y164-F229 HydrophobicContact CD1-CE1 3.4Å; Y164-F229 HydrophobicContact CD1-CE2 4.11Å; Y164-F229 AromaticContact CD1-CZ 3.37Å; Y164-F229 HydrophobicContact CD1-CZ 3.37Å; Y164-F229 HydrophobicContact CE1-CE1 4.06Å; Y164-F229 HydrophobicContact CE1-CZ 4.17Å; Y164-F229 HydrophobicContact CG-CE1 4.21Å; Y164-F229 HydrophobicContact CG-CE2 4.09Å; Y164-F229 AromaticContact CG-CZ 3.75Å; Y164-F229 HydrophobicContact CG-CZ 3.75Å; Y164-F229 PolarHBondContact N-O 2.87Å; Y164-F229 PolarHBondContact O-N 3.09Å; Y164-I278 HydrophobicContact CD2-CB 4.44Å; Y164-I278 HydrophobicContact CD2-CD1 3.65Å; Y164-I278 HydrophobicContact CD2-CG2 4.06Å; Y164-I278 HydrophobicContact CE1-CG2 4.28Å; Y164-I278 HydrophobicContact CE2-CB 4.18Å; Y164-I278 HydrophobicContact CE2-CD1 4.25Å; Y164-I278 HydrophobicContact CE2-CG2 3.59Å; Y164-I278 HydrophobicContact CG-CD1 3.94Å; Y164-S280 WeakPolarHBondContact OH-CB 3.32Å
165L90.2Very high86.7Confident81 Ų8139.8 Ų39.842%0.42420%0.201SC..EExtended strand (participates in β ladder)trans-111.2135.3175.1-63.5175.6000108.7R163 P167 L192R163-L165 HydrophobicContact CG-CD2 4.22Å; R163-L165 HydrophobicContact CG-CG 4.14Å; L165-P167 WeakPolarHBondContact O-CD 3.34Å; L165-L192 HydrophobicContact CD2-CD1 3.72Å
166Y85.4Confident86.8Confident33 Ų3342.1 Ų42.113%0.12921%0.21CC..PPolyproline II helixtrans-67.2128.5-178.7-70.5-81.6000111.1Y164 A173 I220 V222 F225 G228 F229Y164-Y166 AromaticContact CE1-CD1 3.9Å; Y164-Y166 HydrophobicContact CE1-CD1 3.9Å; Y164-Y166 HydrophobicContact CE1-CE1 4.08Å; Y164-Y166 HydrophobicContact CE1-CG 4.34Å; Y166-A173 HydrophobicContact CE1-CB 3.9Å; Y166-I220 VanDerWaalsContact OH-CG2 3.3Å; Y166-I220 WeakPolarHBondContact OH-CG2 3.34Å; Y166-V222 HydrophobicContact CD1-CG2 3.47Å; Y166-V222 VanDerWaalsContact CD1-CG2 3.47Å; Y166-V222 HydrophobicContact CD2-CG2 3.73Å; Y166-V222 HydrophobicContact CE1-CG2 3.44Å; Y166-V222 VanDerWaalsContact CE1-CG2 3.44Å; Y166-V222 HydrophobicContact CE2-CG2 3.72Å; Y166-V222 HydrophobicContact CG-CG2 3.61Å; Y166-F225 HydrophobicContact CE2-CB 4.4Å; Y166-F225 WeakPolarHBondContact CE2-O 3.35Å; Y166-G228 VanDerWaalsContact CE2-CA 3.49Å; Y166-F229 HydrophobicContact CE1-CE1 4.5Å; Y166-F229 HydrophobicContact CE2-CD1 4.37Å
167P83.8Confident86.9Confident40 Ų4041.9 Ų41.926%0.2621%0.209SC..PPolyproline II helixtrans-58.6147170.5-23.733.6000110.9Y164 L165 Q169 K170Y164-P167 VanDerWaalsContact OH-CD 3.24Å; Y164-P167 WeakPolarHBondContact OH-CD 3.36Å; L165-P167 WeakPolarHBondContact O-CD 3.34Å; P167-Q169 PolarHBondContact O-N 2.76Å; P167-K170 HydrophobicContact CB-CD 4.39Å; P167-K170 PolarHBondContact O-N 3.39Å
168P78.5Confident87.2Confident119 Ų11944.8 Ų44.877%0.77323%0.226SC*.THydrogen-bonded Turntrans-53.6143176.822.4-32.8000111.2K170P168-K170 PolarHBondContact O-N 2.71Å; P168-K170 VanDerWaalsContact O-N 3.13Å
169Q74.1Confident87.2Confident170 Ų17043 Ų4379%0.79422%0.219SC*.THydrogen-bonded Turntrans69.9-16.5-177.2-48.4176.83.400116.8P167P167-Q169 PolarHBondContact O-N 2.76Å
170K70.8Confident87.1Confident77 Ų7753.4 Ų53.434%0.33527%0.265SS..  trans-87.9143.3178.4-63.5-168.3177.2-170.10111.7P167 P168 S280P167-K170 HydrophobicContact CB-CD 4.39Å; P167-K170 PolarHBondContact O-N 3.39Å; P168-K170 PolarHBondContact O-N 2.71Å; P168-K170 VanDerWaalsContact O-N 3.13Å; K170-S280 VanDerWaalsContact CD-CB 3.4Å; K170-S280 WeakPolarHBondContact CD-O 3.36Å; K170-S280 WeakPolarHBondContact CD-OG 3.38Å; K170-S280 WeakPolarHBondContact CE-O 3.31Å; K170-S280 PolarHBondContact NZ-O 3.26Å; K170-S280 PolarHBondContact NZ-OG 3.38Å
171K72.4Confident86.9Confident113 Ų11353.6 Ų53.649%0.49127%0.268SS..  trans-1275.1-168.6-67.7-175.4179.8-176.80114.7V222 R283K171-V222 WeakPolarHBondContact O-CB 3.5Å; K171-V222 WeakPolarHBondContact O-CG2 3.46Å; K171-V222 PolarHBondContact O-N 2.78Å; K171-R283 HydrophobicContact CB-CB 3.78Å; K171-R283 HydrophobicContact CB-CG 4.46Å; K171-R283 HydrophobicContact CD-CB 4.5Å
172S79.3Confident86.6Confident20 Ų2058.9 Ų58.914%0.1430%0.297CS..EExtended strand (participates in β ladder)trans-151.9155.1175.642.70000110.4I220 T281S172-I220 CarbonylContact C-O 3.56Å; S172-I220 WeakPolarHBondContact CA-O 3.09Å; S172-I220 WeakPolarHBondContact CB-O 3.46Å; S172-T281 PolarHBondContact O-N 3.04Å; S172-T281 PolarHBondContact OG-O 3.4Å; S172-T281 PolarHBondContact OG-OG1 2.9Å
173A83.8Confident86.4Confident2 Ų259.8 Ų59.82%0.01730%0.301CS..EExtended strand (participates in β ladder)trans-137.1134.217600000109.5Y164 Y166 I220 F229 I278Y164-A173 HydrophobicContact CE1-CB 3.85Å; Y166-A173 HydrophobicContact CE1-CB 3.9Å; A173-I220 PolarHBondContact N-O 2.95Å; A173-I220 PolarHBondContact O-N 2.9Å; A173-F229 HydrophobicContact CB-CE1 4.18Å; A173-F229 HydrophobicContact CB-CZ 4.38Å; A173-I278 HydrophobicContact CB-CG2 4.02Å
174E85Confident86.3Confident45 Ų4558.6 Ų58.621%0.2130%0.297CS..EExtended strand (participates in β ladder)trans-107120.4170.4-177.7-168.1175.100107.3I278 N279E174-I278 CarbonylContact O-C 3.54Å; E174-I278 WeakPolarHBondContact O-CA 3.23Å; E174-N279 HydrophobicContact CB-CB 4.42Å; E174-N279 PolarHBondContact N-O 2.94Å; E174-N279 PolarHBondContact O-N 2.9Å
175I90Very high86.4Confident0 Ų058.6 Ų58.60%030%0.297CS..EExtended strand (participates in β ladder)trans-102.2116.2178.7-54.783.3000107.3V177 I189 A217 I218 I220 F229 L231 I276 I278I175-V177 HydrophobicContact CG2-CG2 3.97Å; I175-I189 HydrophobicContact CB-CD1 4.43Å; I175-I189 HydrophobicContact CD1-CD1 3.69Å; I175-I189 HydrophobicContact CG1-CD1 3.99Å; I175-A217 CarbonylContact O-C 3.52Å; I175-A217 WeakPolarHBondContact O-CA 3.48Å; I175-I218 VanDerWaalsContact CD1-O 3.32Å; I175-I218 WeakPolarHBondContact CD1-O 3.21Å; I175-I218 PolarHBondContact N-O 2.56Å; I175-I218 PolarHBondContact O-N 2.95Å; I175-I220 HydrophobicContact CD1-CD1 3.71Å; I175-I220 HydrophobicContact CD1-CG1 3.97Å; I175-F229 HydrophobicContact CD1-CE1 4.35Å; I175-F229 HydrophobicContact CD1-CE2 4.22Å; I175-F229 HydrophobicContact CD1-CZ 3.67Å; I175-F229 HydrophobicContact CG1-CE2 4.12Å; I175-F229 HydrophobicContact CG1-CZ 3.86Å; I175-L231 HydrophobicContact CG2-CD1 4.02Å; I175-L231 HydrophobicContact CG2-CD2 4.13Å; I175-I276 HydrophobicContact CG2-CG2 4.39Å; I175-I278 HydrophobicContact CB-CG1 4.43Å; I175-I278 HydrophobicContact CG1-CD1 4.05Å; I175-I278 HydrophobicContact CG1-CG1 4.05Å; I175-I278 HydrophobicContact CG1-CG2 4.49Å; I175-I278 HydrophobicContact CG2-CG1 4.14Å
176K92Very high86.6Confident60 Ų6055.5 Ų55.526%0.26128%0.28SS..EExtended strand (participates in β ladder)trans-108.5130173.9179.2160.7175.2158.10110.1V178 L215 L277 E719K176-V178 HydrophobicContact CG-CG2 4.01Å; K176-L215 HydrophobicContact CG-CD1 4.44Å; K176-L277 PolarHBondContact N-O 3.43Å; K176-L277 PolarHBondContact O-N 2.82Å; K176-E719 WeakPolarHBondContact CD-OE1 3.33Å; K176-E719 WeakPolarHBondContact CE-OE1 3.03Å; K176-E719 IonicContact NZ-OE1 2.87Å; K176-E719 PolarHBondContact NZ-OE1 2.82Å; K176-E719 IonicContact NZ-OE2 3.25Å; K176-E719 PolarHBondContact NZ-OE2 2.83Å
177V93.8Very high87.1Confident1 Ų153.9 Ų53.91%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-127.5116.2-174.7-176.60000108.9I175 M185 L187 L215 G216 V274 K275I175-V177 HydrophobicContact CG2-CG2 3.97Å; V177-M185 HydrophobicContact CG1-CE 3.92Å; V177-L187 HydrophobicContact CB-CD2 4.4Å; V177-L187 HydrophobicContact CG2-CD1 3.84Å; V177-L187 HydrophobicContact CG2-CD2 3.74Å; V177-L187 HydrophobicContact CG2-CG 4.45Å; V177-L215 WeakPolarHBondContact O-CA 3.38Å; V177-G216 PolarHBondContact N-O 2.81Å; V177-G216 PolarHBondContact O-N 3.27Å; V177-V274 HydrophobicContact CG1-CG1 3.32Å; V177-K275 WeakPolarHBondContact CA-O 3.42Å
178V94.5Very high87.6Confident60 Ų6052 Ų5236%0.36426%0.262SS..EExtended strand (participates in β ladder)trans-123.1134.4-174.1-171.10000110.2K176 T214 L215 K275K176-V178 HydrophobicContact CG-CG2 4.01Å; V178-T214 CarbonylContact C-O 3.56Å; V178-T214 WeakPolarHBondContact CA-O 3.33Å; V178-L215 HydrophobicContact CG2-CD1 3.95Å; V178-K275 HydrophobicContact CB-CB 4.48Å; V178-K275 PolarHBondContact N-O 2.7Å; V178-K275 PolarHBondContact O-N 2.81Å
179S93.9Very high88.3Confident12 Ų1246.3 Ų46.38%0.08423%0.225CC..  trans-135.4147.7172.1-170.20000110.7S181 T214 K272 S273S179-S181 VanDerWaalsContact C-N 3.26Å; S179-S181 PolarHBondContact OG-N 3.06Å; S179-T214 PolarHBondContact N-O 3.16Å; S179-T214 WeakPolarHBondContact O-CA 2.99Å; S179-K272 VanDerWaalsContact CB-CE 3.41Å; S179-K272 WeakPolarHBondContact OG-CE 3.4Å; S179-S273 WeakPolarHBondContact CB-O 3.29Å; S179-S273 PolarHBondContact OG-O 3.3Å
180K91Very high89.2Confident220 Ų22038.6 Ų38.696%0.95719%0.189SC*.SBendtrans-80-10.2169.7-64.6-174.9178-176.80112.8
181S90.4Very high90.2Very high28 Ų2841.3 Ų41.320%0.19620%0.201CC..  trans-105.4139-179.5175.10000110.3S179 I183S179-S181 VanDerWaalsContact C-N 3.26Å; S179-S181 PolarHBondContact OG-N 3.06Å; S181-I183 VanDerWaalsContact C-N 3.35Å; S181-I183 WeakPolarHBondContact OG-CD1 3.3Å; S181-I183 WeakPolarHBondContact OG-CG1 3.46Å; S181-I183 PolarHBondContact OG-N 2.03Å
182D88.4Confident91.1Very high118 Ų11838.9 Ų38.963%0.63119%0.193SC*.  trans-78.1-13.8175.953.1-11.9000114C184D182-C184 PolarHBondContact O-N 2.94Å
183I90.5Very high91.5Very high31 Ų3144.5 Ų44.516%0.15922%0.217CC..  trans-49131.4-179.8-64.5169.9000111.5S181 L235 D239 R270 K272S181-I183 VanDerWaalsContact C-N 3.35Å; S181-I183 WeakPolarHBondContact OG-CD1 3.3Å; S181-I183 WeakPolarHBondContact OG-CG1 3.46Å; S181-I183 PolarHBondContact OG-N 2.03Å; I183-L235 HydrophobicContact CG2-CD1 3.82Å; I183-L235 HydrophobicContact CG2-CD2 4.13Å; I183-L235 HydrophobicContact CG2-CG 4.13Å; I183-D239 WeakPolarHBondContact CA-OD1 3.46Å; I183-R270 HydrophobicContact CG2-CG 4.31Å; I183-K272 WeakPolarHBondContact O-CD 3.31Å; I183-K272 WeakPolarHBondContact O-CE 3.31Å; I183-K272 PolarHBondContact O-NZ 3.32Å
184C92.8Very high91.7Very high0 Ų047 Ų470%023%0.234CC..  trans-67.6131.5-173.3-169.60000114.3D182 L235 K236 D239 C242D182-C184 PolarHBondContact O-N 2.94Å; C184-L235 WeakPolarHBondContact O-CD1 3.42Å; C184-K236 HydrophobicContact CB-CB 4.25Å; C184-K236 PolarHBondContact O-N 2.89Å; C184-D239 HydrophobicContact CB-CB 4.31Å; C184-D239 WeakPolarHBondContact CB-OD1 3.37Å; C184-D239 PolarHBondContact N-OD1 3.47Å; C184-C242 WeakPolarHBondContact CA-SG 3.23Å; C184-C242 HydrophobicContact CB-CB 3.52Å; C184-C242 WeakPolarHBondContact CB-SG 3.28Å; C184-C242 WeakPolarHBondContact SG-CB 3.45Å; C184-C242 PolarHBondContact SG-N 3.11Å; C184-C242 CovalentContact SG-SG 2.03Å; C184-C242 PolarHBondContact SG-SG 2.85Å
185M93.9Very high91.9Very high0 Ų049.5 Ų49.50%025%0.253CS..EExtended strand (participates in β ladder)trans-135.5148.7177-170.9-178.871.500110V177 T211 V212 L233 V234 L235 K272 V274V177-M185 HydrophobicContact CG1-CE 3.92Å; M185-T211 WeakPolarHBondContact O-CA 3.46Å; M185-V212 HydrophobicContact CE-CB 4.16Å; M185-V212 HydrophobicContact CE-CG1 4.15Å; M185-V212 PolarHBondContact N-O 2.83Å; M185-V212 VanDerWaalsContact N-O 3.16Å; M185-V212 PolarHBondContact O-N 2.81Å; M185-L233 HydrophobicContact CE-CD2 3.72Å; M185-L233 HydrophobicContact SD-CB 4.32Å; M185-L233 HydrophobicContact SD-CD2 4.06Å; M185-V234 WeakPolarHBondContact CA-O 3.48Å; M185-V234 WeakPolarHBondContact CG-O 3.32Å; M185-L235 HydrophobicContact CB-CD1 3.97Å; M185-L235 HydrophobicContact CG-CD1 4.29Å; M185-K272 HydrophobicContact CB-CD 4.17Å; M185-K272 HydrophobicContact SD-CD 4.3Å; M185-V274 HydrophobicContact CE-CG1 4.43Å; M185-V274 HydrophobicContact CE-CG2 4.32Å; M185-V274 HydrophobicContact SD-CG2 3.87Å
186I94.4Very high91.9Very high16 Ų1650.1 Ų50.18%0.08226%0.258CS..EExtended strand (participates in β ladder)trans-97.8129.4162.5-64.8-176.2000109.1V203 H209 Q210 T211 V234 K236I186-V203 HydrophobicContact CB-CG1 4.19Å; I186-V203 HydrophobicContact CD1-CG1 3.86Å; I186-V203 HydrophobicContact CG2-CG1 3.98Å; I186-V203 HydrophobicContact CG2-CG2 4.04Å; I186-H209 HydrophobicContact CG2-CB 4.35Å; I186-Q210 WeakPolarHBondContact CA-O 3.34Å; I186-T211 HydrophobicContact CG1-CG2 4.2Å; I186-V234 PolarHBondContact N-O 3.01Å; I186-V234 PolarHBondContact O-N 2.66Å; I186-V234 VanDerWaalsContact O-N 3.08Å; I186-K236 HydrophobicContact CG1-CG 4.42Å
187L94.8Very high91.9Very high0 Ų049.2 Ų49.20%026%0.255CS..EExtended strand (participates in β ladder)trans-96.3123.5163.5-178.667.6000107.5V177 H209 Q210 V212 I218 L231 L233V177-L187 HydrophobicContact CB-CD2 4.4Å; V177-L187 HydrophobicContact CG2-CD1 3.84Å; V177-L187 HydrophobicContact CG2-CD2 3.74Å; V177-L187 HydrophobicContact CG2-CG 4.45Å; L187-H209 CarbonylContact O-C 3.58Å; L187-H209 VanDerWaalsContact O-CA 3.23Å; L187-H209 WeakPolarHBondContact O-CA 3.23Å; L187-Q210 HydrophobicContact CB-CG 4.17Å; L187-Q210 HydrophobicContact CD2-CG 4.37Å; L187-Q210 PolarHBondContact N-O 2.73Å; L187-Q210 PolarHBondContact O-N 2.86Å; L187-V212 HydrophobicContact CB-CG2 3.79Å; L187-V212 HydrophobicContact CD2-CG2 4.5Å; L187-I218 HydrophobicContact CD2-CD1 3.76Å; L187-I218 HydrophobicContact CD2-CG1 3.95Å; L187-I218 HydrophobicContact CG-CD1 4.06Å; L187-L231 HydrophobicContact CD1-CD1 3.63Å; L187-L231 HydrophobicContact CD1-CG 4.34Å; L187-L231 HydrophobicContact CG-CD1 4.48Å; L187-L233 HydrophobicContact CD1-CD2 3.37Å
188S95.1Very high91.7Very high0 Ų049.6 Ų49.60%026%0.258CS..EExtended strand (participates in β ladder)trans-132.4142.9178.7172.20000110.7Q190 V203 L208 V232S188-Q190 PolarHBondContact OG-NE2 3.12Å; S188-V203 PolarHBondContact OG-O 3.22Å; S188-L208 CarbonylContact C-O 3.48Å; S188-L208 VanDerWaalsContact CA-O 3.32Å; S188-L208 WeakPolarHBondContact CA-O 3.47Å; S188-V232 PolarHBondContact N-O 3.08Å; S188-V232 PolarHBondContact O-N 3.02Å
189I93.8Very high91.5Very high0 Ų050 Ų500%026%0.257CS..EExtended strand (participates in β ladder)trans-127.7109.3-176.4-58.4-176.9000109.3I175 G207 L208 I218 I220 F225 F229 F230 L231I175-I189 HydrophobicContact CB-CD1 4.43Å; I175-I189 HydrophobicContact CD1-CD1 3.69Å; I175-I189 HydrophobicContact CG1-CD1 3.99Å; I189-G207 CarbonylContact O-C 3.55Å; I189-G207 VanDerWaalsContact O-CA 3.26Å; I189-G207 WeakPolarHBondContact O-CA 3.27Å; I189-L208 PolarHBondContact N-O 2.74Å; I189-L208 PolarHBondContact O-N 3.14Å; I189-I218 HydrophobicContact CD1-CB 3.95Å; I189-I218 HydrophobicContact CD1-CD1 3.77Å; I189-I218 HydrophobicContact CD1-CG1 4.35Å; I189-I218 HydrophobicContact CD1-CG2 4.06Å; I189-I218 HydrophobicContact CG1-CD1 4.12Å; I189-I220 HydrophobicContact CB-CD1 4.22Å; I189-I220 HydrophobicContact CD1-CD1 3.67Å; I189-I220 HydrophobicContact CG2-CD1 3.55Å; I189-F225 HydrophobicContact CG2-CZ 4.26Å; I189-F229 HydrophobicContact CG2-CB 3.6Å; I189-F229 HydrophobicContact CG2-CD1 4.25Å; I189-F229 HydrophobicContact CG2-CD2 3.43Å; I189-F229 VanDerWaalsContact CG2-CD2 3.43Å; I189-F229 HydrophobicContact CG2-CE2 4.13Å; I189-F229 HydrophobicContact CG2-CG 3.5Å; I189-F229 VanDerWaalsContact CG2-CG 3.5Å; I189-F230 WeakPolarHBondContact CA-O 3.33Å; I189-L231 HydrophobicContact CD1-CD1 3.81Å; I189-L231 HydrophobicContact CG1-CD1 3.64Å
190Q93.1Very high91.1Very high8 Ų849.8 Ų49.84%0.03726%0.255CS..EExtended strand (participates in β ladder)trans-114.1157-168.2-62.5177.328.700110.7S188 N197 F229 F230 V232S188-Q190 PolarHBondContact OG-NE2 3.12Å; Q190-N197 PolarHBondContact NE2-O 3.06Å; Q190-F229 CarbonylContact O-C 3.46Å; Q190-F229 WeakPolarHBondContact O-CA 3.29Å; Q190-F229 VanDerWaalsContact O-CB 3.31Å; Q190-F229 WeakPolarHBondContact O-CB 3.39Å; Q190-F230 PolarHBondContact N-O 3.13Å; Q190-F230 PolarHBondContact O-N 3.46Å; Q190-V232 HydrophobicContact CG-CG2 4.25Å
191K91.7Very high90.8Very high134 Ų13444.3 Ų44.358%0.58324%0.237SC*.EExtended strand (participates in β ladder)trans-64.6155.8176.9-66.4174.1-178.5171.10109.8Q193 F225 F230K191-Q193 HydrophobicContact CB-CB 4.45Å; K191-Q193 PolarHBondContact O-N 2.79Å; K191-F225 HydrophobicContact CG-CD1 3.85Å; K191-F225 HydrophobicContact CG-CE1 3.78Å; K191-F230 VanDerWaalsContact O-CD2 3.27Å; K191-F230 WeakPolarHBondContact O-CD2 2.87Å
192L90.1Very high90.8Very high61 Ų6144.8 Ų44.832%0.31924%0.238SC..SBendtrans-72.462.9171.9-64.9176.7000111.5R163 L165 K227 G228 F229 F230R163-L192 HydrophobicContact CG-CD2 3.82Å; L165-L192 HydrophobicContact CD2-CD1 3.72Å; L192-K227 HydrophobicContact CD1-CB 4.32Å; L192-G228 VanDerWaalsContact CD1-C 3.49Å; L192-G228 WeakPolarHBondContact CG-O 2.99Å; L192-F229 VanDerWaalsContact CD2-C 3.44Å; L192-F230 HydrophobicContact CD2-CD1 3.71Å; L192-F230 HydrophobicContact CD2-CD2 4.11Å; L192-F230 HydrophobicContact CD2-CE1 3.65Å; L192-F230 HydrophobicContact CD2-CE2 4.08Å; L192-F230 HydrophobicContact CD2-CG 3.94Å; L192-F230 HydrophobicContact CD2-CZ 3.85Å
193Q88.8Confident90.8Very high139 Ų13939.1 Ų39.165%0.6521%0.208SC*.  trans-141.7137.7-177.5-176.4168.16.500107.8K191K191-Q193 HydrophobicContact CB-CB 4.45Å; K191-Q193 PolarHBondContact O-N 2.79Å
194C88Confident90.5Very high55 Ų5538.7 Ų38.737%0.37221%0.212SC..SBendtrans-98.8153175.4-790000110.7C104C104-C194 HydrophobicContact CB-CB 4.05Å; C104-C194 WeakPolarHBondContact CB-SG 3.2Å; C104-C194 WeakPolarHBondContact SG-CB 3.12Å; C104-C194 CovalentContact SG-SG 2.03Å; C104-C194 PolarHBondContact SG-SG 3.34Å
195P88.9Confident90.2Very high96 Ų9644.3 Ų44.362%0.62324%0.241SC*.SBendcis-71.5153.5-1.831.2-36.2000113.3
196V90.6Very high89.8Confident14 Ų1447 Ų479%0.08526%0.258CS..PPolyproline II helixtrans-92.1131.7174.1-177.80000108.7Y161 D198 F230 V232Y161-V196 HydrophobicContact CD1-CG1 4.07Å; Y161-V196 HydrophobicContact CD2-CG1 4.43Å; Y161-V196 HydrophobicContact CE1-CB 4.35Å; Y161-V196 HydrophobicContact CE1-CG1 4.39Å; Y161-V196 HydrophobicContact CE2-CG2 4.22Å; Y161-V196 HydrophobicContact CG-CG1 4.09Å; V196-D198 PolarHBondContact O-N 2.89Å; V196-F230 HydrophobicContact CG2-CD2 3.55Å; V196-F230 HydrophobicContact CG2-CE2 3.65Å; V196-F230 HydrophobicContact CG2-CG 4.27Å; V196-F230 HydrophobicContact CG2-CZ 4.44Å; V196-V232 HydrophobicContact CG1-CG2 3.76Å
197N91.4Very high89.5Confident40 Ų4047.6 Ų47.621%0.21427%0.269CS..  trans-83.894.4177.5-78.3-45000110.4Q190 T202 T206Q190-N197 PolarHBondContact NE2-O 3.06Å; N197-T202 WeakPolarHBondContact CB-O 3.26Å; N197-T202 PolarHBondContact OD1-OG1 2.97Å; N197-T206 WeakPolarHBondContact ND2-CG2 3.38Å; N197-T206 PolarHBondContact ND2-OG1 2.03Å
198D90.4Very high89.3Confident10 Ų1048.5 Ų48.55%0.05327%0.273CS..  trans-109.31.6-177.573.7-25000113.7R101 P159 Y161 V196 V232 V234R101-D198 WeakPolarHBondContact CD-OD2 3Å; R101-D198 IonicContact CZ-OD2 3.65Å; R101-D198 IonicContact NE-OD2 3.75Å; R101-D198 IonicContact NH1-OD1 3.34Å; R101-D198 PolarHBondContact NH1-OD1 3.29Å; R101-D198 IonicContact NH1-OD2 3.62Å; R101-D198 PolarHBondContact NH1-OD2 3.15Å; P159-D198 HydrophobicContact CB-CB 4.24Å; P159-D198 VanDerWaalsContact CB-O 3.23Å; P159-D198 WeakPolarHBondContact CB-O 3.42Å; P159-D198 HydrophobicContact CG-CB 4.19Å; P159-D198 WeakPolarHBondContact CG-O 3.4Å; Y161-D198 HydrophobicContact CD1-CB 4.39Å; V196-D198 PolarHBondContact O-N 2.89Å; D198-V232 HydrophobicContact CB-CG1 4.3Å; D198-V234 VanDerWaalsContact O-CG2 3.3Å; D198-V234 WeakPolarHBondContact O-CG2 3.44Å
199L88.9Confident89.2Confident68 Ų6849.5 Ų49.536%0.35628%0.278SS..SBendtrans-82.3147175.4-75158.9000111.4M88 D201 T202 V203M88-L199 HydrophobicContact CE-CD2 3.7Å; L199-D201 PolarHBondContact O-N 2.85Å; L199-T202 HydrophobicContact CB-CG2 4.41Å; L199-T202 PolarHBondContact O-N 3.15Å; L199-V203 VanDerWaalsContact O-CB 3.27Å; L199-V203 WeakPolarHBondContact O-CB 3.38Å; L199-V203 WeakPolarHBondContact O-CG1 3.38Å; L199-V203 PolarHBondContact O-N 3.31Å
200S85.7Confident89.2Confident7 Ų749.5 Ų49.55%0.04928%0.278CS..THydrogen-bonded Turntrans-42.6-42.4174164.80000112.8V203 K236S200-V203 WeakPolarHBondContact O-CG1 3.49Å; S200-K236 PolarHBondContact O-NZ 3.06Å; S200-K236 PolarHBondContact OG-NZ 2.67Å
201D85Confident89.2Confident106 Ų10649.4 Ų49.457%0.56728%0.278SS*.THydrogen-bonded Turntrans-103.2-7.5-164.9-45-36.4000112.5L199 K236L199-D201 PolarHBondContact O-N 2.85Å; D201-K236 IonicContact OD1-NZ 3.76Å
202T89.5Confident89.3Confident37 Ų3743.1 Ų43.123%0.22725%0.251CS..THydrogen-bonded Turntrans-112.1-17.1175.673.80000114.1N197 L199 G204 N205N197-T202 WeakPolarHBondContact CB-O 3.26Å; N197-T202 PolarHBondContact OD1-OG1 2.97Å; L199-T202 HydrophobicContact CB-CG2 4.41Å; L199-T202 PolarHBondContact O-N 3.15Å; T202-G204 PolarHBondContact O-N 3.01Å; T202-G204 VanDerWaalsContact O-N 3.11Å; T202-N205 VanDerWaalsContact O-CB 3.31Å; T202-N205 WeakPolarHBondContact O-CB 3.48Å; T202-N205 PolarHBondContact O-N 2.83Å
203V89.9Confident89.4Confident0 Ų041 Ų410%024%0.241CC..THydrogen-bonded Turntrans-58.8-24.1-177.463.90000114.5I186 S188 L199 S200 V232 V234I186-V203 HydrophobicContact CB-CG1 4.19Å; I186-V203 HydrophobicContact CD1-CG1 3.86Å; I186-V203 HydrophobicContact CG2-CG1 3.98Å; I186-V203 HydrophobicContact CG2-CG2 4.04Å; S188-V203 PolarHBondContact OG-O 3.22Å; L199-V203 VanDerWaalsContact O-CB 3.27Å; L199-V203 WeakPolarHBondContact O-CB 3.38Å; L199-V203 WeakPolarHBondContact O-CG1 3.38Å; L199-V203 PolarHBondContact O-N 3.31Å; S200-V203 WeakPolarHBondContact O-CG1 3.49Å; V203-V232 HydrophobicContact CG2-CG1 4.13Å; V203-V234 HydrophobicContact CB-CG2 4.05Å; V203-V234 HydrophobicContact CG1-CB 4.39Å; V203-V234 HydrophobicContact CG1-CG2 4.3Å; V203-V234 HydrophobicContact CG2-CB 4.5Å; V203-V234 HydrophobicContact CG2-CG2 3.77Å
204G84.4Confident89.6Confident22 Ų2236.6 Ų36.623%0.22722%0.223CC..THydrogen-bonded Turntrans-88.2-5.217400000115.1T202 T206 H209T202-G204 PolarHBondContact O-N 3.01Å; T202-G204 VanDerWaalsContact O-N 3.11Å; G204-T206 VanDerWaalsContact C-N 3.32Å; G204-T206 PolarHBondContact O-N 3.23Å; G204-H209 PolarHBondContact O-CE1 3.32Å; G204-H209 PolarHBondContact O-ND1 2.69Å
205N85.5Confident89.9Confident117 Ų11735 Ų3563%0.62621%0.21SC*.SBendtrans-81.1-13.3-175.4-63.5-6.9000113.1T202T202-N205 VanDerWaalsContact O-CB 3.31Å; T202-N205 WeakPolarHBondContact O-CB 3.48Å; T202-N205 PolarHBondContact O-N 2.83Å
206T85.3Confident90Very high56 Ų5630.4 Ų30.434%0.34418%0.181SC..SBendtrans-147.5138-174.354.10000112N197 G204N197-T206 WeakPolarHBondContact ND2-CG2 3.38Å; N197-T206 PolarHBondContact ND2-OG1 2.03Å; G204-T206 VanDerWaalsContact C-N 3.32Å; G204-T206 PolarHBondContact O-N 3.23Å
207G87.9Confident89.9Confident30 Ų3029.8 Ų29.831%0.30918%0.177SC..SBendtrans79.6-177.1175.400000113.3I189 H209I189-G207 CarbonylContact O-C 3.55Å; I189-G207 VanDerWaalsContact O-CA 3.26Å; I189-G207 WeakPolarHBondContact O-CA 3.27Å; G207-H209 PolarHBondContact O-ND1 2.92Å
208L91.3Very high89.7Confident19 Ų1928 Ų2810%0.09917%0.168CC..EExtended strand (participates in β ladder)trans-77.1131.1177.4-61.4173.9000108.9S188 I189 I218 I220 F225 G709S188-L208 CarbonylContact C-O 3.48Å; S188-L208 VanDerWaalsContact CA-O 3.32Å; S188-L208 WeakPolarHBondContact CA-O 3.47Å; I189-L208 PolarHBondContact N-O 2.74Å; I189-L208 PolarHBondContact O-N 3.14Å; L208-I218 HydrophobicContact CD1-CG2 4.07Å; L208-I220 HydrophobicContact CD1-CD1 4.34Å; L208-I220 HydrophobicContact CD1-CG1 4.2Å; L208-F225 HydrophobicContact CD1-CE2 4.06Å; L208-F225 HydrophobicContact CD1-CZ 4.5Å; L208-F225 HydrophobicContact CG-CE2 4.47Å; L208-F225 HydrophobicContact CG-CZ 4.47Å; L208-G709 CarbonylContact C-O 3.54Å; L208-G709 VanDerWaalsContact CA-O 3.31Å; L208-G709 WeakPolarHBondContact CA-O 3.11Å
209H93.4Very high89.3Confident20 Ų2030.1 Ų30.19%0.09318%0.183CC..EExtended strand (participates in β ladder)trans-144.9149.5-179.462.5-85.4000113I186 L187 G204 G207 T708 G709 N710 E711I186-H209 HydrophobicContact CG2-CB 4.35Å; L187-H209 CarbonylContact O-C 3.58Å; L187-H209 VanDerWaalsContact O-CA 3.23Å; L187-H209 WeakPolarHBondContact O-CA 3.23Å; G204-H209 PolarHBondContact O-CE1 3.32Å; G204-H209 PolarHBondContact O-ND1 2.69Å; G207-H209 PolarHBondContact O-ND1 2.92Å; H209-T708 PolarHBondContact CE1-O 3.39Å; H209-G709 PolarHBondContact N-O 2.96Å; H209-G709 PolarHBondContact ND1-O 2.7Å; H209-N710 WeakPolarHBondContact NE2-CB 3.07Å; H209-E711 PolarHBondContact O-N 3.18Å
210Q93.8Very high88.9Confident1 Ų127.2 Ų27.21%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-150.4153.9175.969.5-176.2-10.700112.9I186 L187 V212 A217 I218 E711 D712I186-Q210 WeakPolarHBondContact CA-O 3.34Å; L187-Q210 HydrophobicContact CB-CG 4.17Å; L187-Q210 HydrophobicContact CD2-CG 4.37Å; L187-Q210 PolarHBondContact N-O 2.73Å; L187-Q210 PolarHBondContact O-N 2.86Å; Q210-V212 HydrophobicContact CG-CG2 3.98Å; Q210-A217 VanDerWaalsContact NE2-N 3.19Å; Q210-A217 PolarHBondContact NE2-O 2.93Å; Q210-A217 PolarHBondContact OE1-O 2.75Å; Q210-I218 HydrophobicContact CG-CD1 4.18Å; Q210-I218 HydrophobicContact CG-CG1 4.37Å; Q210-I218 VanDerWaalsContact NE2-CG1 3.28Å; Q210-E711 HydrophobicContact CB-CB 4.13Å; Q210-D712 WeakPolarHBondContact CA-OD1 3.48Å
211T93.6Very high88.3Confident6 Ų628.3 Ų28.34%0.03717%0.173CC..EExtended strand (participates in β ladder)trans-81.2139.5169.247.50000112M185 I186 A241 D712 A1004 R1007M185-T211 WeakPolarHBondContact O-CA 3.46Å; I186-T211 HydrophobicContact CG1-CG2 4.2Å; T211-A241 HydrophobicContact CG2-CB 4.16Å; T211-D712 WeakPolarHBondContact CB-OD2 3.31Å; T211-D712 WeakPolarHBondContact CG2-OD2 3.41Å; T211-D712 PolarHBondContact N-OD1 3.08Å; T211-D712 PolarHBondContact N-OD2 3.44Å; T211-D712 PolarHBondContact OG1-OD1 2.8Å; T211-D712 VanDerWaalsContact OG1-OD1 3.1Å; T211-D712 PolarHBondContact OG1-OD2 2.69Å; T211-A1004 WeakPolarHBondContact OG1-CB 3.48Å; T211-R1007 PolarHBondContact O-NH1 2.98Å
212V93.4Very high87.7Confident2 Ų224.6 Ų24.61%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-134.6117.6-171.6178.70000110.7M185 L187 Q210 K272M185-V212 HydrophobicContact CE-CB 4.16Å; M185-V212 HydrophobicContact CE-CG1 4.15Å; M185-V212 PolarHBondContact N-O 2.83Å; M185-V212 VanDerWaalsContact N-O 3.16Å; M185-V212 PolarHBondContact O-N 2.81Å; L187-V212 HydrophobicContact CB-CG2 3.79Å; L187-V212 HydrophobicContact CD2-CG2 4.5Å; Q210-V212 HydrophobicContact CG-CG2 3.98Å; V212-K272 PolarHBondContact O-NZ 3.32Å
213T92.6Very high86.7Confident17 Ų1727.6 Ų27.610%0.10417%0.173CC..SBendtrans-86.9-102164.559.50000109.2C242 K272 A1004T213-C242 HydrophobicContact CG2-CB 3.77Å; T213-K272 WeakPolarHBondContact O-CE 3.47Å; T213-K272 PolarHBondContact O-NZ 3.34Å; T213-A1004 HydrophobicContact CG2-CB 3.89Å; T213-A1004 PolarHBondContact OG1-O 2.74Å
214T92.8Very high85.9Confident46 Ų4631.3 Ų31.328%0.28219%0.19SC..SBendtrans-85.1-29.3-179.954.70000113.7V178 S179 A1008V178-T214 CarbonylContact C-O 3.56Å; V178-T214 WeakPolarHBondContact CA-O 3.33Å; S179-T214 PolarHBondContact N-O 3.16Å; S179-T214 WeakPolarHBondContact O-CA 2.99Å; T214-A1008 WeakPolarHBondContact OG1-CB 3.36Å
215L93.2Very high85.7Confident20 Ų2030.9 Ų30.911%0.10518%0.182CC..EExtended strand (participates in β ladder)trans-138.2139.6-174.6-17659.9000111.6K176 V177 V178 E719 R1007 N1010K176-L215 HydrophobicContact CG-CD1 4.44Å; V177-L215 WeakPolarHBondContact O-CA 3.38Å; V178-L215 HydrophobicContact CG2-CD1 3.95Å; L215-E719 WeakPolarHBondContact CD1-OE1 3.2Å; L215-E719 WeakPolarHBondContact CD2-OE1 3.48Å; L215-R1007 WeakPolarHBondContact CD2-O 3.31Å; L215-N1010 HydrophobicContact CD2-CB 4.08Å
216G91.4Very high85.2Confident0 Ų032.4 Ų32.40%019%0.189CC..EExtended strand (participates in β ladder)trans-150.6138.416800000110.5V177V177-G216 PolarHBondContact N-O 2.81Å; V177-G216 PolarHBondContact O-N 3.27Å
217A89.2Confident85.1Confident1 Ų137.9 Ų37.91%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-130.5143.5174.200000110.5I175 Q210 F718 E719I175-A217 CarbonylContact O-C 3.52Å; I175-A217 WeakPolarHBondContact O-CA 3.48Å; Q210-A217 VanDerWaalsContact NE2-N 3.19Å; Q210-A217 PolarHBondContact NE2-O 2.93Å; Q210-A217 PolarHBondContact OE1-O 2.75Å; A217-F718 HydrophobicContact CB-CB 3.89Å; A217-F718 WeakPolarHBondContact O-CB 3.35Å; A217-E719 HydrophobicContact CB-CG 4.27Å
218I87.4Confident85.2Confident4 Ų436.7 Ų36.72%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-135.2129.7171.8-55.7-178.7000108.7I175 L187 I189 L208 Q210 I220I175-I218 VanDerWaalsContact CD1-O 3.32Å; I175-I218 WeakPolarHBondContact CD1-O 3.21Å; I175-I218 PolarHBondContact N-O 2.56Å; I175-I218 PolarHBondContact O-N 2.95Å; L187-I218 HydrophobicContact CD2-CD1 3.76Å; L187-I218 HydrophobicContact CD2-CG1 3.95Å; L187-I218 HydrophobicContact CG-CD1 4.06Å; I189-I218 HydrophobicContact CD1-CB 3.95Å; I189-I218 HydrophobicContact CD1-CD1 3.77Å; I189-I218 HydrophobicContact CD1-CG1 4.35Å; I189-I218 HydrophobicContact CD1-CG2 4.06Å; I189-I218 HydrophobicContact CG1-CD1 4.12Å; L208-I218 HydrophobicContact CD1-CG2 4.07Å; Q210-I218 HydrophobicContact CG-CD1 4.18Å; Q210-I218 HydrophobicContact CG-CG1 4.37Å; Q210-I218 VanDerWaalsContact NE2-CG1 3.28Å; I218-I220 HydrophobicContact CG2-CD1 4.32Å; I218-I220 HydrophobicContact CG2-CG1 3.97Å
219S80.7Confident85.2Confident54 Ų5435.8 Ų35.838%0.37819%0.191SC..EExtended strand (participates in β ladder)trans-105.5127.6177.9-71.30000110.8
220I80.1Confident85.3Confident6 Ų635.1 Ų35.13%0.03119%0.188CC..EExtended strand (participates in β ladder)trans-128.2135.6-171.7-56.8-173.2000111.4Y166 S172 A173 I175 I189 L208 I218 F225 F229Y166-I220 VanDerWaalsContact OH-CG2 3.3Å; Y166-I220 WeakPolarHBondContact OH-CG2 3.34Å; S172-I220 CarbonylContact C-O 3.56Å; S172-I220 WeakPolarHBondContact CA-O 3.09Å; S172-I220 WeakPolarHBondContact CB-O 3.46Å; A173-I220 PolarHBondContact N-O 2.95Å; A173-I220 PolarHBondContact O-N 2.9Å; I175-I220 HydrophobicContact CD1-CD1 3.71Å; I175-I220 HydrophobicContact CD1-CG1 3.97Å; I189-I220 HydrophobicContact CB-CD1 4.22Å; I189-I220 HydrophobicContact CD1-CD1 3.67Å; I189-I220 HydrophobicContact CG2-CD1 3.55Å; L208-I220 HydrophobicContact CD1-CD1 4.34Å; L208-I220 HydrophobicContact CD1-CG1 4.2Å; I218-I220 HydrophobicContact CG2-CD1 4.32Å; I218-I220 HydrophobicContact CG2-CG1 3.97Å; I220-F225 HydrophobicContact CD1-CD2 4.45Å; I220-F225 HydrophobicContact CD1-CE2 4.21Å; I220-F225 HydrophobicContact CG2-CD2 3.46Å; I220-F225 VanDerWaalsContact CG2-CD2 3.46Å; I220-F225 HydrophobicContact CG2-CE2 3.95Å; I220-F225 HydrophobicContact CG2-CG 4.49Å; I220-F229 HydrophobicContact CD1-CD1 4.11Å; I220-F229 HydrophobicContact CD1-CE1 4Å; I220-F229 HydrophobicContact CD1-CZ 4.35Å
221D74.7Confident85.3Confident30 Ų3035.2 Ų35.216%0.1619%0.188CC..EExtended strand (participates in β ladder)trans-98142.6165.9-165.1-47.5000110.3T223 Q224 R283D221-T223 PolarHBondContact O-N 3.1Å; D221-T223 PolarHBondContact OD1-N 2.61Å; D221-T223 PolarHBondContact OD1-OG1 2.81Å; D221-Q224 PolarHBondContact O-N 2.83Å; D221-R283 IonicContact OD1-NH2 3.64Å; D221-R283 IonicContact OD2-CZ 2.77Å; D221-R283 IonicContact OD2-NE 3.66Å; D221-R283 PolarHBondContact OD2-NE 2.92Å; D221-R283 IonicContact OD2-NH2 2.74Å; D221-R283 PolarHBondContact OD2-NH2 2.92Å
222V71.8Confident85.4Confident29 Ų2934.9 Ų34.918%0.17619%0.186CC..THydrogen-bonded Turntrans-54.9-22.3174.3162.80000112.8Y166 K171 Q224 F225 L226Y166-V222 HydrophobicContact CD1-CG2 3.47Å; Y166-V222 VanDerWaalsContact CD1-CG2 3.47Å; Y166-V222 HydrophobicContact CD2-CG2 3.73Å; Y166-V222 HydrophobicContact CE1-CG2 3.44Å; Y166-V222 VanDerWaalsContact CE1-CG2 3.44Å; Y166-V222 HydrophobicContact CE2-CG2 3.72Å; Y166-V222 HydrophobicContact CG-CG2 3.61Å; K171-V222 WeakPolarHBondContact O-CB 3.5Å; K171-V222 WeakPolarHBondContact O-CG2 3.46Å; K171-V222 PolarHBondContact O-N 2.78Å; V222-Q224 PolarHBondContact O-N 2.87Å; V222-F225 CarbonylContact O-C 3.57Å; V222-F225 PolarHBondContact O-N 2.81Å; V222-L226 WeakPolarHBondContact O-CA 3.49Å; V222-L226 PolarHBondContact O-N 2.92Å
223T68.4Low85.5Confident99 Ų9934.9 Ų34.961%0.60719%0.186SC*.THydrogen-bonded Turntrans-58.7-30.6171.954.80000113.8D221D221-T223 PolarHBondContact O-N 3.1Å; D221-T223 PolarHBondContact OD1-N 2.61Å; D221-T223 PolarHBondContact OD1-OG1 2.81Å
224Q73.5Confident85.6Confident78 Ų7834.1 Ų34.136%0.36418%0.182SC..THydrogen-bonded Turntrans-81.9-33.7176.4-65.8174.9-1700111.9D221 V222D221-Q224 PolarHBondContact O-N 2.83Å; V222-Q224 PolarHBondContact O-N 2.87Å
225F80Confident85.6Confident13 Ų1332 Ų326%0.05717%0.169CC..SBendtrans-137.389.5-174.5-59.8-91000111.2Y166 I189 K191 L208 I220 V222 K227 F229Y166-F225 HydrophobicContact CE2-CB 4.4Å; Y166-F225 WeakPolarHBondContact CE2-O 3.35Å; I189-F225 HydrophobicContact CG2-CZ 4.26Å; K191-F225 HydrophobicContact CG-CD1 3.85Å; K191-F225 HydrophobicContact CG-CE1 3.78Å; L208-F225 HydrophobicContact CD1-CE2 4.06Å; L208-F225 HydrophobicContact CD1-CZ 4.5Å; L208-F225 HydrophobicContact CG-CE2 4.47Å; L208-F225 HydrophobicContact CG-CZ 4.47Å; I220-F225 HydrophobicContact CD1-CD2 4.45Å; I220-F225 HydrophobicContact CD1-CE2 4.21Å; I220-F225 HydrophobicContact CG2-CD2 3.46Å; I220-F225 VanDerWaalsContact CG2-CD2 3.46Å; I220-F225 HydrophobicContact CG2-CE2 3.95Å; I220-F225 HydrophobicContact CG2-CG 4.49Å; V222-F225 CarbonylContact O-C 3.57Å; V222-F225 PolarHBondContact O-N 2.81Å; F225-K227 VanDerWaalsContact C-N 3.31Å; F225-K227 PolarHBondContact O-N 2.96Å; F225-K227 VanDerWaalsContact O-N 3.11Å; F225-F229 HydrophobicContact CD1-CB 3.97Å; F225-F229 HydrophobicContact CE1-CB 4.39Å; F225-F229 HydrophobicContact CG-CB 4.26Å
226L75.6Confident85.4Confident149 Ų14932.4 Ų32.478%0.7817%0.17SC*.SBendtrans-61-24-166.6-75.7163.9000117.4V222V222-L226 WeakPolarHBondContact O-CA 3.49Å; V222-L226 PolarHBondContact O-N 2.92Å
227K82.7Confident85.1Confident172 Ų17232.8 Ų32.875%0.74817%0.172SC*.SBendtrans-121.3-19.9-176.1-68.3-174.6178.6-179.70114.3L192 F225L192-K227 HydrophobicContact CD1-CB 4.32Å; F225-K227 VanDerWaalsContact C-N 3.31Å; F225-K227 PolarHBondContact O-N 2.96Å; F225-K227 VanDerWaalsContact O-N 3.11Å
228G88.6Confident84.8Confident4 Ų435 Ų354%0.04119%0.185CC..EExtended strand (participates in β ladder)trans143.6-177.1-166.300000110.4Y164 Y166 L192Y164-G228 CarbonylContact O-C 3.59Å; Y164-G228 WeakPolarHBondContact O-CA 3.14Å; Y166-G228 VanDerWaalsContact CE2-CA 3.49Å; L192-G228 VanDerWaalsContact CD1-C 3.49Å; L192-G228 WeakPolarHBondContact CG-O 2.99Å
229F93Very high84.8Confident0 Ų037.2 Ų37.20%020%0.197CC..EExtended strand (participates in β ladder)trans-147.1161.2-177.952.9-100.9000111.5Y164 Y166 A173 I175 I189 Q190 L192 I220 F225 L231 I278Y164-F229 HydrophobicContact CD1-CD1 4.14Å; Y164-F229 AromaticContact CD1-CE1 3.4Å; Y164-F229 HydrophobicContact CD1-CE1 3.4Å; Y164-F229 HydrophobicContact CD1-CE2 4.11Å; Y164-F229 AromaticContact CD1-CZ 3.37Å; Y164-F229 HydrophobicContact CD1-CZ 3.37Å; Y164-F229 HydrophobicContact CE1-CE1 4.06Å; Y164-F229 HydrophobicContact CE1-CZ 4.17Å; Y164-F229 HydrophobicContact CG-CE1 4.21Å; Y164-F229 HydrophobicContact CG-CE2 4.09Å; Y164-F229 AromaticContact CG-CZ 3.75Å; Y164-F229 HydrophobicContact CG-CZ 3.75Å; Y164-F229 PolarHBondContact N-O 2.87Å; Y164-F229 PolarHBondContact O-N 3.09Å; Y166-F229 HydrophobicContact CE1-CE1 4.5Å; Y166-F229 HydrophobicContact CE2-CD1 4.37Å; A173-F229 HydrophobicContact CB-CE1 4.18Å; A173-F229 HydrophobicContact CB-CZ 4.38Å; I175-F229 HydrophobicContact CD1-CE1 4.35Å; I175-F229 HydrophobicContact CD1-CE2 4.22Å; I175-F229 HydrophobicContact CD1-CZ 3.67Å; I175-F229 HydrophobicContact CG1-CE2 4.12Å; I175-F229 HydrophobicContact CG1-CZ 3.86Å; I189-F229 HydrophobicContact CG2-CB 3.6Å; I189-F229 HydrophobicContact CG2-CD1 4.25Å; I189-F229 HydrophobicContact CG2-CD2 3.43Å; I189-F229 VanDerWaalsContact CG2-CD2 3.43Å; I189-F229 HydrophobicContact CG2-CE2 4.13Å; I189-F229 HydrophobicContact CG2-CG 3.5Å; I189-F229 VanDerWaalsContact CG2-CG 3.5Å; Q190-F229 CarbonylContact O-C 3.46Å; Q190-F229 WeakPolarHBondContact O-CA 3.29Å; Q190-F229 VanDerWaalsContact O-CB 3.31Å; Q190-F229 WeakPolarHBondContact O-CB 3.39Å; L192-F229 VanDerWaalsContact CD2-C 3.44Å; I220-F229 HydrophobicContact CD1-CD1 4.11Å; I220-F229 HydrophobicContact CD1-CE1 4Å; I220-F229 HydrophobicContact CD1-CZ 4.35Å; F225-F229 HydrophobicContact CD1-CB 3.97Å; F225-F229 HydrophobicContact CE1-CB 4.39Å; F225-F229 HydrophobicContact CG-CB 4.26Å; F229-L231 HydrophobicContact CE2-CB 4.48Å; F229-I278 HydrophobicContact CE2-CD1 4.34Å; F229-I278 HydrophobicContact CZ-CD1 4.34Å
230F94.1Very high84.9Confident7 Ų740.6 Ų40.63%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-90.5127.7163.9-67.5-55000109.3P105 F142 Y161 L162 R163 I189 Q190 K191 L192 V196 V232P105-F230 HydrophobicContact CG-CZ 4.49Å; F142-F230 HydrophobicContact CE1-CE1 4.2Å; F142-F230 HydrophobicContact CZ-CD1 4.2Å; F142-F230 AromaticContact CZ-CE1 3.78Å; F142-F230 HydrophobicContact CZ-CE1 3.78Å; Y161-F230 HydrophobicContact CD2-CD1 4.11Å; Y161-F230 HydrophobicContact CD2-CG 4.44Å; Y161-F230 HydrophobicContact CE2-CD1 4.47Å; Y161-F230 HydrophobicContact CE2-CE1 4.49Å; L162-F230 CarbonylContact O-C 3.59Å; L162-F230 VanDerWaalsContact O-CA 3.29Å; L162-F230 WeakPolarHBondContact O-CA 3.39Å; R163-F230 HydrophobicContact CB-CD1 4.09Å; R163-F230 HydrophobicContact CB-CE1 4.06Å; R163-F230 HydrophobicContact CG-CE1 4.34Å; I189-F230 WeakPolarHBondContact CA-O 3.33Å; Q190-F230 PolarHBondContact N-O 3.13Å; Q190-F230 PolarHBondContact O-N 3.46Å; K191-F230 VanDerWaalsContact O-CD2 3.27Å; K191-F230 WeakPolarHBondContact O-CD2 2.87Å; L192-F230 HydrophobicContact CD2-CD1 3.71Å; L192-F230 HydrophobicContact CD2-CD2 4.11Å; L192-F230 HydrophobicContact CD2-CE1 3.65Å; L192-F230 HydrophobicContact CD2-CE2 4.08Å; L192-F230 HydrophobicContact CD2-CG 3.94Å; L192-F230 HydrophobicContact CD2-CZ 3.85Å; V196-F230 HydrophobicContact CG2-CD2 3.55Å; V196-F230 HydrophobicContact CG2-CE2 3.65Å; V196-F230 HydrophobicContact CG2-CG 4.27Å; V196-F230 HydrophobicContact CG2-CZ 4.44Å; F230-V232 HydrophobicContact CB-CG2 4.38Å
231L95Very high85.1Confident2 Ų242.2 Ų42.21%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-93113170.4-175.166.9000108.2L144 Y161 L162 I175 L187 I189 F229 I276L144-L231 HydrophobicContact CD1-CB 4.18Å; L144-L231 HydrophobicContact CD1-CD2 3.62Å; Y161-L231 CarbonylContact C-O 3.57Å; Y161-L231 WeakPolarHBondContact CA-O 3.43Å; Y161-L231 WeakPolarHBondContact CB-O 3.33Å; L162-L231 PolarHBondContact N-O 3.13Å; L162-L231 PolarHBondContact O-N 3.45Å; I175-L231 HydrophobicContact CG2-CD1 4.02Å; I175-L231 HydrophobicContact CG2-CD2 4.13Å; L187-L231 HydrophobicContact CD1-CD1 3.63Å; L187-L231 HydrophobicContact CD1-CG 4.34Å; L187-L231 HydrophobicContact CG-CD1 4.48Å; I189-L231 HydrophobicContact CD1-CD1 3.81Å; I189-L231 HydrophobicContact CG1-CD1 3.64Å; F229-L231 HydrophobicContact CE2-CB 4.48Å; L231-I276 HydrophobicContact CD2-CD1 4.18Å; L231-I276 HydrophobicContact CD2-CG2 3.64Å
232V95.4Very high85.7Confident0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-109.8129.8-174.7-169.50000109.7S188 Q190 V196 D198 V203 F230 V234S188-V232 PolarHBondContact N-O 3.08Å; S188-V232 PolarHBondContact O-N 3.02Å; Q190-V232 HydrophobicContact CG-CG2 4.25Å; V196-V232 HydrophobicContact CG1-CG2 3.76Å; D198-V232 HydrophobicContact CB-CG1 4.3Å; V203-V232 HydrophobicContact CG2-CG1 4.13Å; F230-V232 HydrophobicContact CB-CG2 4.38Å; V232-V234 HydrophobicContact CG1-CG2 3.96Å
233L95.3Very high86.2Confident2 Ų241.4 Ų41.41%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-121.9114.7179.9-61.1174.7000109.3V154 I160 M185 L187 I276V154-L233 HydrophobicContact CG1-CB 4.47Å; V154-L233 HydrophobicContact CG2-CB 4.07Å; V154-L233 HydrophobicContact CG2-CD1 4.22Å; I160-L233 PolarHBondContact N-O 2.73Å; I160-L233 VanDerWaalsContact N-O 3.12Å; I160-L233 PolarHBondContact O-N 2.81Å; M185-L233 HydrophobicContact CE-CD2 3.72Å; M185-L233 HydrophobicContact SD-CB 4.32Å; M185-L233 HydrophobicContact SD-CD2 4.06Å; L187-L233 HydrophobicContact CD1-CD2 3.37Å; L233-I276 HydrophobicContact CD1-CD1 3.69Å; L233-I276 HydrophobicContact CD1-CG1 4.4Å
234V94.4Very high86.3Confident1 Ų137.7 Ų37.71%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-125.6115.6-179.7-174.20000109.4P159 M185 I186 D198 V203 V232P159-V234 HydrophobicContact CB-CG2 4.08Å; M185-V234 WeakPolarHBondContact CA-O 3.48Å; M185-V234 WeakPolarHBondContact CG-O 3.32Å; I186-V234 PolarHBondContact N-O 3.01Å; I186-V234 PolarHBondContact O-N 2.66Å; I186-V234 VanDerWaalsContact O-N 3.08Å; D198-V234 VanDerWaalsContact O-CG2 3.3Å; D198-V234 WeakPolarHBondContact O-CG2 3.44Å; V203-V234 HydrophobicContact CB-CG2 4.05Å; V203-V234 HydrophobicContact CG1-CB 4.39Å; V203-V234 HydrophobicContact CG1-CG2 4.3Å; V203-V234 HydrophobicContact CG2-CB 4.5Å; V203-V234 HydrophobicContact CG2-CG2 3.77Å; V232-V234 HydrophobicContact CG1-CG2 3.96Å
235L93.1Very high85.4Confident1 Ų139.3 Ų39.31%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-76.5131.7175.1-159.970000109.7V154 P156 I183 C184 M185 R270 K272V154-L235 HydrophobicContact CG1-CB 4.24Å; P156-L235 WeakPolarHBondContact CA-O 3.27Å; P156-L235 HydrophobicContact CG-CB 4.16Å; P156-L235 HydrophobicContact CG-CD2 4.08Å; P156-L235 HydrophobicContact CG-CG 4.33Å; I183-L235 HydrophobicContact CG2-CD1 3.82Å; I183-L235 HydrophobicContact CG2-CD2 4.13Å; I183-L235 HydrophobicContact CG2-CG 4.13Å; C184-L235 WeakPolarHBondContact O-CD1 3.42Å; M185-L235 HydrophobicContact CB-CD1 3.97Å; M185-L235 HydrophobicContact CG-CD1 4.29Å; L235-R270 HydrophobicContact CD2-CG 4.19Å; L235-K272 HydrophobicContact CD1-CB 3.51Å; L235-K272 HydrophobicContact CD1-CD 3.61Å; L235-K272 HydrophobicContact CD1-CG 4.22Å; L235-K272 HydrophobicContact CD2-CB 4.15Å
236K89.7Confident83.7Confident29 Ų2944.9 Ų44.913%0.12623%0.232CC..  trans-79.4140.5177.7-77.3-75.9179.3177.20110.5C184 I186 S200 D201 T238 A241 R270C184-K236 HydrophobicContact CB-CB 4.25Å; C184-K236 PolarHBondContact O-N 2.89Å; I186-K236 HydrophobicContact CG1-CG 4.42Å; S200-K236 PolarHBondContact O-NZ 3.06Å; S200-K236 PolarHBondContact OG-NZ 2.67Å; D201-K236 IonicContact OD1-NZ 3.76Å; K236-T238 WeakPolarHBondContact CB-O 3.31Å; K236-T238 PolarHBondContact O-N 2.83Å; K236-A241 HydrophobicContact CG-CB 4.41Å; K236-R270 PolarHBondContact O-NE 2.71Å; K236-R270 PolarHBondContact O-NH2 2.73Å
237P83.9Confident82.1Confident8 Ų843 Ų435%0.05222%0.223CC..SBendtrans-65.4-24.9178.928.6-36.4000112.4L90 R270L90-P237 HydrophobicContact CB-CB 3.96Å; L90-P237 HydrophobicContact CB-CG 4.17Å; P237-R270 WeakPolarHBondContact O-CD 3.3Å; P237-R270 PolarHBondContact O-NE 3.5Å; P237-R270 VanDerWaalsContact O-NE 3.13Å
238T84Confident80.1Confident46 Ų4639.8 Ų39.828%0.28221%0.213SC..SBendtrans-132156.4176.858.80000110.5K236 Y240 R270K236-T238 WeakPolarHBondContact CB-O 3.31Å; K236-T238 PolarHBondContact O-N 2.83Å; T238-Y240 VanDerWaalsContact C-N 3.26Å; T238-Y240 PolarHBondContact O-N 2.9Å; T238-R270 VanDerWaalsContact C-NH2 3.29Å
239D86.5Confident77.8Confident52 Ų5245.9 Ų45.928%0.27824%0.243SC..THydrogen-bonded Turntrans-80.9-4.5-178.9-62.4-61.2000114.2I183 C184 A241 C242 S243 R270I183-D239 WeakPolarHBondContact CA-OD1 3.46Å; C184-D239 HydrophobicContact CB-CB 4.31Å; C184-D239 WeakPolarHBondContact CB-OD1 3.37Å; C184-D239 PolarHBondContact N-OD1 3.47Å; D239-A241 VanDerWaalsContact C-N 3.26Å; D239-A241 PolarHBondContact O-N 2.96Å; D239-C242 CarbonylContact O-C 3.55Å; D239-C242 WeakPolarHBondContact O-CA 3.39Å; D239-C242 PolarHBondContact O-N 2.91Å; D239-S243 PolarHBondContact O-N 2.88Å; D239-R270 IonicContact OD1-CZ 2.72Å; D239-R270 IonicContact OD1-NH1 2.74Å; D239-R270 IonicContact OD1-NH2 3.86Å; D239-R270 PolarHBondContact OD1-NH2 2.94Å; D239-R270 IonicContact OD2-CZ 3.65Å; D239-R270 IonicContact OD2-NH1 3.08Å; D239-R270 PolarHBondContact OD2-NH1 2.73Å; D239-R270 IonicContact OD2-NH2 2.83Å; D239-R270 PolarHBondContact OD2-NH2 3.39Å; D239-R270 VanDerWaalsContact OD2-NH2 3.08Å
240Y82.2Confident75.1Confident125 Ų12550.3 Ų50.349%0.4927%0.272SS..Hα-helixtrans-44.9-41.9-179.1176-99.5000114.8T238 C242 G244 I245 L248T238-Y240 VanDerWaalsContact C-N 3.26Å; T238-Y240 PolarHBondContact O-N 2.9Å; Y240-C242 PolarHBondContact O-N 3.38Å; Y240-G244 VanDerWaalsContact O-CA 3.23Å; Y240-G244 WeakPolarHBondContact O-CA 3.38Å; Y240-G244 PolarHBondContact O-N 3.18Å; Y240-I245 HydrophobicContact CE2-CG1 3.68Å; Y240-I245 WeakPolarHBondContact OH-CG1 3.4Å; Y240-L248 HydrophobicContact CE2-CD1 4.3Å
241A84.3Confident72.3Confident39 Ų3955.5 Ų55.532%0.32231%0.307SS..Hα-helixtrans-68-22.7179.600000113.5T211 K236 D239T211-A241 HydrophobicContact CG2-CB 4.16Å; K236-A241 HydrophobicContact CG-CB 4.41Å; D239-A241 VanDerWaalsContact C-N 3.26Å; D239-A241 PolarHBondContact O-N 2.96Å
242C89.2Confident69.5Low4 Ų461.5 Ų61.53%0.02734%0.338CS..Hα-helixtrans-107.2-25.5179.5-61.70000113.7C184 T213 D239 Y240 T1002 A1004C184-C242 WeakPolarHBondContact CA-SG 3.23Å; C184-C242 HydrophobicContact CB-CB 3.52Å; C184-C242 WeakPolarHBondContact CB-SG 3.28Å; C184-C242 WeakPolarHBondContact SG-CB 3.45Å; C184-C242 PolarHBondContact SG-N 3.11Å; C184-C242 CovalentContact SG-SG 2.03Å; C184-C242 PolarHBondContact SG-SG 2.85Å; T213-C242 HydrophobicContact CG2-CB 3.77Å; D239-C242 CarbonylContact O-C 3.55Å; D239-C242 WeakPolarHBondContact O-CA 3.39Å; D239-C242 PolarHBondContact O-N 2.91Å; Y240-C242 PolarHBondContact O-N 3.38Å; C242-T1002 WeakPolarHBondContact O-CB 3.36Å; C242-T1002 WeakPolarHBondContact O-CG2 3.22Å; C242-T1002 PolarHBondContact O-OG1 2.95Å; C242-A1004 HydrophobicContact CB-CB 3.66Å
243S81.2Confident66.7Low39 Ų3965 Ų6527%0.27336%0.361SS..Hα-helixtrans-92.2-22.8174-80.20000113.5D239 D247 T1002D239-S243 PolarHBondContact O-N 2.88Å; S243-D247 WeakPolarHBondContact CB-OD2 3.33Å; S243-D247 PolarHBondContact OG-OD2 2.96Å; S243-T1002 VanDerWaalsContact C-CG2 3.41Å; S243-T1002 WeakPolarHBondContact O-CG2 3.48Å
244G69.8Low63.8Low20 Ų2072.3 Ų72.321%0.20640%0.4CS..G310 helixtrans77-164.3-173.800000113Y240 E246Y240-G244 VanDerWaalsContact O-CA 3.23Å; Y240-G244 WeakPolarHBondContact O-CA 3.38Å; Y240-G244 PolarHBondContact O-N 3.18Å; G244-E246 PolarHBondContact O-N 3.24Å
245I54.9Low61Low112 Ų11281.1 Ų81.157%0.57444%0.441SS*.G310 helixtrans-70.4-12.7-176-81.6169.3000113.4Y240 L248Y240-I245 HydrophobicContact CE2-CG1 3.68Å; Y240-I245 WeakPolarHBondContact OH-CG1 3.4Å; I245-L248 HydrophobicContact CB-CD1 4.17Å; I245-L248 HydrophobicContact CG1-CD1 4.07Å; I245-L248 HydrophobicContact CG2-CD1 3.91Å; I245-L248 VanDerWaalsContact O-CB 3.26Å; I245-L248 WeakPolarHBondContact O-CB 3.47Å; I245-L248 PolarHBondContact O-N 2.81Å
246E45.1Very low58.2Low131 Ų13184.6 Ų84.661%0.61248%0.477SS*.G310 helixtrans-81.8-19.1-169.2-70.3175.5-179.500114.4G244 L248 R938G244-E246 PolarHBondContact O-N 3.24Å; E246-L248 VanDerWaalsContact C-N 3.3Å; E246-L248 PolarHBondContact O-N 2.88Å; E246-R938 IonicContact OE1-CZ 3.57Å; E246-R938 IonicContact OE1-NH1 2.73Å; E246-R938 PolarHBondContact OE1-NH1 3.1Å; E246-R938 IonicContact OE1-NH2 3.44Å; E246-R938 PolarHBondContact OE1-NH2 3.5Å; E246-R938 IonicContact OE2-CZ 3.66Å; E246-R938 IonicContact OE2-NH1 2.86Å; E246-R938 PolarHBondContact OE2-NH1 2.96Å; E246-R938 IonicContact OE2-NH2 3.91Å
247D42.6Very low55.3Low108 Ų10890.6 Ų90.658%0.57851%0.51SS*.G310 helixtrans-92.532.1170.4-67.8-33.1000112S243 I249S243-D247 WeakPolarHBondContact CB-OD2 3.33Å; S243-D247 PolarHBondContact OG-OD2 2.96Å; D247-I249 PolarHBondContact O-N 2.89Å
248L40.1Very low52.9Low106 Ų10698.8 Ų98.856%0.55555%0.545SS*.  trans-74.436.9-177.7-111.9158.4000115.6Y240 I245 E246Y240-L248 HydrophobicContact CE2-CD1 4.3Å; I245-L248 HydrophobicContact CB-CD1 4.17Å; I245-L248 HydrophobicContact CG1-CD1 4.07Å; I245-L248 HydrophobicContact CG2-CD1 3.91Å; I245-L248 VanDerWaalsContact O-CB 3.26Å; I245-L248 WeakPolarHBondContact O-CB 3.47Å; I245-L248 PolarHBondContact O-N 2.81Å; E246-L248 VanDerWaalsContact C-N 3.3Å; E246-L248 PolarHBondContact O-N 2.88Å
249I39Very low50.5Low131 Ų131102 Ų10267%0.67257%0.569SS**  trans-133.885.2154.5-50.9178.3000107.3D247D247-I249 PolarHBondContact O-N 2.89Å
250P37Very low48.5Very low93 Ų93107.2 Ų107.260%0.60459%0.592SS**  trans-53.2132.814428.4-32.6000105.6L252P250-L252 PolarHBondContact O-N 3.3Å
251P35.7Very low46.7Very low116 Ų116106.4 Ų106.475%0.75359%0.592SS**  trans-56.8106.7-174.822.3-32.7000108.7P253P251-P253 WeakPolarHBondContact O-CD 3.47Å; P251-P253 VanDerWaalsContact O-N 3.16Å
252L36.4Very low45Very low128 Ų128105.9 Ų105.967%0.6759%0.585SS**  trans-53.8121.4160.9-88.3134.5000104.5P250 D254P250-L252 PolarHBondContact O-N 3.3Å; L252-D254 PolarHBondContact O-N 3.39Å
253P36.3Very low43.2Very low74 Ų74112.1 Ų112.148%0.48161%0.614SS.*  trans-61.7112.3177.224-31000107.2P251 Q255P251-P253 WeakPolarHBondContact O-CD 3.47Å; P251-P253 VanDerWaalsContact O-N 3.16Å; P253-Q255 PolarHBondContact O-N 3.36Å
254D33.7Very low41.8Very low155 Ų155113.8 Ų113.883%0.82962%0.619SS**SBendtrans-68.172.7175.5-88.9-31.7000109.7L252L252-D254 PolarHBondContact O-N 3.39Å
255Q35.8Very low41Very low186 Ų186114.3 Ų114.387%0.86962%0.617SS**  trans-171.5121.3166.9-110.8147.88000112.3P253P253-Q255 PolarHBondContact O-N 3.36Å
256G33.7Very low40.7Very low74 Ų74115.3 Ų115.376%0.76362%0.623SS**  trans90.5116.5145.100000116.9
257L30.2Very low40.9Very low156 Ų156113.1 Ų113.182%0.81762%0.62SS**SBendtrans-56.9141154.2-165.269.8000109.3
258F33.7Very low41.3Very low180 Ų180110.5 Ų110.579%0.78962%0.618SS**SBendtrans90.1134.4179-60.9-84.8000118.7
259S32.5Very low42.5Very low112 Ų112109.3 Ų109.378%0.78362%0.619SS**  trans55.684.2172.751.30000118.3E261S259-E261 PolarHBondContact O-N 3.08Å
260H43.9Very low44.7Very low163 Ų163104.8 Ų104.876%0.75559%0.594SS**  trans-82.182.6158.2-107.6-60.4000110.6
261E44.8Very low47.2Very low108 Ų108102.6 Ų102.651%0.50558%0.58SS.*PPolyproline II helixtrans-75.7130.4162-159.3170.3168.400107.6S259 Q263S259-E261 PolarHBondContact O-N 3.08Å; E261-Q263 PolarHBondContact O-N 2.91Å
262P49Very low49.9Very low27 Ų2797.1 Ų97.118%0.17555%0.545CS..PPolyproline II helixtrans-63.8136.6-176.926.2-35.5000110.4P67 I264P67-P262 HydrophobicContact CB-CG 4.13Å; P67-P262 HydrophobicContact CG-CG 3.43Å; P67-P262 VanDerWaalsContact CG-CG 3.43Å; P262-I264 PolarHBondContact O-N 3.23Å; P262-I264 VanDerWaalsContact O-N 3.16Å
263Q51.1Low52.6Low135 Ų13594.5 Ų94.563%0.63154%0.537SS*.EExtended strand (participates in β ladder)trans-64123-176.1-72.7-170.3-7.300110.5I93 A95 E261 N265I93-Q263 PolarHBondContact O-N 2.84Å; A95-Q263 PolarHBondContact N-O 2.9Å; E261-Q263 PolarHBondContact O-N 2.91Å; Q263-N265 PolarHBondContact O-N 3.14Å; Q263-N265 VanDerWaalsContact O-N 3.14Å
264I52.6Low55.4Low74 Ų7491 Ų9138%0.37951%0.514SS..EExtended strand (participates in β ladder)trans-73.5101.7174.9-62.8168.4000107.3P65 P262 L266P65-I264 HydrophobicContact CG-CG2 3.59Å; P65-I264 VanDerWaalsContact O-CD1 3.22Å; P65-I264 WeakPolarHBondContact O-CD1 3.48Å; P262-I264 PolarHBondContact O-N 3.23Å; P262-I264 VanDerWaalsContact O-N 3.16Å; I264-L266 PolarHBondContact O-N 3.29Å
265N52.7Low58.3Low31 Ų3188 Ų8817%0.16649%0.494CS..EExtended strand (participates in β ladder)trans-77.7121.5174.8-81.3-29000109S94 A95 Y96 Q263S94-N265 PolarHBondContact OG-ND2 3.02Å; A95-N265 PolarHBondContact O-N 3.5Å; A95-N265 VanDerWaalsContact O-N 3.15Å; Y96-N265 HydrophobicContact CD1-CB 4.48Å; Y96-N265 HydrophobicContact CE1-CB 4.13Å; Q263-N265 PolarHBondContact O-N 3.14Å; Q263-N265 VanDerWaalsContact O-N 3.14Å
266L49.3Very low61.1Low134 Ų13479.3 Ų79.370%0.70245%0.453SS*.PPolyproline II helixtrans-57.1145.5170.4-94.978.8000110.1I264 G268 S269I264-L266 PolarHBondContact O-N 3.29Å; L266-G268 PolarHBondContact O-N 3.19Å; L266-G268 VanDerWaalsContact O-N 3.15Å; L266-S269 WeakPolarHBondContact O-CB 3.26Å; L266-S269 PolarHBondContact O-N 2.81Å
267P47.7Very low64Low85 Ų8577.5 Ų77.555%0.55243%0.426SS*.THydrogen-bonded Turntrans-56.1123.4176.323.6-33.2000110.1N98N98-P267 HydrophobicContact CB-CB 4.41Å; N98-P267 WeakPolarHBondContact ND2-CB 3.37Å
268G51.2Low66.9Low52 Ų5270.1 Ų70.154%0.53639%0.387SS..THydrogen-bonded Turntrans106.1-18.7-176.100000115.7L266 R270 S271L266-G268 PolarHBondContact O-N 3.19Å; L266-G268 VanDerWaalsContact O-N 3.15Å; G268-R270 PolarHBondContact O-N 3.06Å; G268-R270 VanDerWaalsContact O-N 3.08Å; G268-S271 PolarHBondContact O-OG 2.89Å
269S67.2Low69.3Low81 Ų8164.6 Ų64.657%0.56637%0.366SS*.SBendtrans-54.7-33.3-175.3-176.10000114.5L266L266-S269 WeakPolarHBondContact O-CB 3.26Å; L266-S269 PolarHBondContact O-N 2.81Å
270R84.4Confident71.4Confident37 Ų3759.8 Ų59.814%0.1433%0.332CS..SBendtrans-135.697.5174.8-172.1170.917396.5-2.6108.4P156 I183 L235 K236 P237 T238 D239 G268P156-R270 WeakPolarHBondContact CD-O 3.45Å; I183-R270 HydrophobicContact CG2-CG 4.31Å; L235-R270 HydrophobicContact CD2-CG 4.19Å; K236-R270 PolarHBondContact O-NE 2.71Å; K236-R270 PolarHBondContact O-NH2 2.73Å; P237-R270 WeakPolarHBondContact O-CD 3.3Å; P237-R270 PolarHBondContact O-NE 3.5Å; P237-R270 VanDerWaalsContact O-NE 3.13Å; T238-R270 VanDerWaalsContact C-NH2 3.29Å; D239-R270 IonicContact OD1-CZ 2.72Å; D239-R270 IonicContact OD1-NH1 2.74Å; D239-R270 IonicContact OD1-NH2 3.86Å; D239-R270 PolarHBondContact OD1-NH2 2.94Å; D239-R270 IonicContact OD2-CZ 3.65Å; D239-R270 IonicContact OD2-NH1 3.08Å; D239-R270 PolarHBondContact OD2-NH1 2.73Å; D239-R270 IonicContact OD2-NH2 2.83Å; D239-R270 PolarHBondContact OD2-NH2 3.39Å; D239-R270 VanDerWaalsContact OD2-NH2 3.08Å; G268-R270 PolarHBondContact O-N 3.06Å; G268-R270 VanDerWaalsContact O-N 3.08Å
271S89Confident72.5Confident47 Ų4755 Ų5533%0.32932%0.315SS..  trans-139.6153.5178.761.40000110V154 G268V154-S271 WeakPolarHBondContact O-CA 3.41Å; G268-S271 PolarHBondContact O-OG 2.89Å
272K92.4Very high73.1Confident1 Ų155.4 Ų55.40%0.00432%0.316CS..EExtended strand (participates in β ladder)trans-130.9123-177.3-171.3176.9-177.2173.10110.4V153 V154 S179 I183 M185 V212 T213 L235 V274V153-K272 WeakPolarHBondContact CA-O 3.41Å; V154-K272 PolarHBondContact N-O 2.77Å; V154-K272 PolarHBondContact O-N 2.88Å; S179-K272 VanDerWaalsContact CB-CE 3.41Å; S179-K272 WeakPolarHBondContact OG-CE 3.4Å; I183-K272 WeakPolarHBondContact O-CD 3.31Å; I183-K272 WeakPolarHBondContact O-CE 3.31Å; I183-K272 PolarHBondContact O-NZ 3.32Å; M185-K272 HydrophobicContact CB-CD 4.17Å; M185-K272 HydrophobicContact SD-CD 4.3Å; V212-K272 PolarHBondContact O-NZ 3.32Å; T213-K272 WeakPolarHBondContact O-CE 3.47Å; T213-K272 PolarHBondContact O-NZ 3.34Å; L235-K272 HydrophobicContact CD1-CB 3.51Å; L235-K272 HydrophobicContact CD1-CD 3.61Å; L235-K272 HydrophobicContact CD1-CG 4.22Å; L235-K272 HydrophobicContact CD2-CB 4.15Å; K272-V274 HydrophobicContact CB-CG2 4.46Å; K272-V274 HydrophobicContact CD-CG2 4.15Å; K272-V274 HydrophobicContact CG-CG2 3.88Å
273S94Very high73.4Confident72 Ų7258.7 Ų58.750%0.50333%0.325SS..EExtended strand (participates in β ladder)trans-83.6128.2169.1-175.20000109.7I152 S179I152-S273 CarbonylContact O-C 3.31Å; I152-S273 WeakPolarHBondContact O-CA 3.1Å; S179-S273 WeakPolarHBondContact CB-O 3.29Å; S179-S273 PolarHBondContact OG-O 3.3Å
274V94.9Very high73.3Confident0 Ų062.1 Ų62.10%033%0.332CS..EExtended strand (participates in β ladder)trans-131.1131.3-171.2-178.70000109S151 I152 V177 M185 K272 I276S151-V274 CarbonylContact C-O 3.51Å; S151-V274 WeakPolarHBondContact CA-O 3.26Å; I152-V274 PolarHBondContact N-O 3.14Å; I152-V274 PolarHBondContact O-N 2.72Å; V177-V274 HydrophobicContact CG1-CG1 3.32Å; M185-V274 HydrophobicContact CE-CG1 4.43Å; M185-V274 HydrophobicContact CE-CG2 4.32Å; M185-V274 HydrophobicContact SD-CG2 3.87Å; K272-V274 HydrophobicContact CB-CG2 4.46Å; K272-V274 HydrophobicContact CD-CG2 4.15Å; K272-V274 HydrophobicContact CG-CG2 3.88Å; V274-I276 HydrophobicContact CG1-CG1 4.24Å
275K95.3Very high73.5Confident94 Ų9463.9 Ų63.941%0.40933%0.334SS..EExtended strand (participates in β ladder)trans-97.1131.2166.7-71.9-172.1160.2-1470109.6E149 R150 V177 V178E149-K275 IonicContact OE2-NZ 2.69Å; E149-K275 PolarHBondContact OE2-NZ 2.81Å; R150-K275 WeakPolarHBondContact O-CA 3.25Å; V177-K275 WeakPolarHBondContact CA-O 3.42Å; V178-K275 HydrophobicContact CB-CB 4.48Å; V178-K275 PolarHBondContact N-O 2.7Å; V178-K275 PolarHBondContact O-N 2.81Å
276I94.6Very high74.1Confident2 Ų265.9 Ų65.91%0.0135%0.349CS..EExtended strand (participates in β ladder)trans-116.6128.7177.7-50.1167.7000107.4E149 R150 I152 L162 I175 L231 L233 V274 I278E149-I276 CarbonylContact C-O 3.56Å; E149-I276 WeakPolarHBondContact CA-O 3.4Å; R150-I276 PolarHBondContact N-O 3.32Å; R150-I276 PolarHBondContact O-N 2.98Å; I152-I276 HydrophobicContact CD1-CD1 3.65Å; I152-I276 HydrophobicContact CG1-CD1 4.33Å; L162-I276 HydrophobicContact CD1-CD1 4.44Å; I175-I276 HydrophobicContact CG2-CG2 4.39Å; L231-I276 HydrophobicContact CD2-CD1 4.18Å; L231-I276 HydrophobicContact CD2-CG2 3.64Å; L233-I276 HydrophobicContact CD1-CD1 3.69Å; L233-I276 HydrophobicContact CD1-CG1 4.4Å; V274-I276 HydrophobicContact CG1-CG1 4.24Å; I276-I278 HydrophobicContact CG2-CG1 4.35Å
277L93.1Very high75.5Confident36 Ų3660.8 Ų60.819%0.18832%0.321CS..EExtended strand (participates in β ladder)trans-126.5127.8170.3177.564.6000108.1E149 K176E149-L277 HydrophobicContact CG-CB 4.48Å; E149-L277 HydrophobicContact CG-CD1 4.23Å; K176-L277 PolarHBondContact N-O 3.43Å; K176-L277 PolarHBondContact O-N 2.82Å
278I91Very high77.2Confident2 Ų262.7 Ų62.71%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-112.4110172.5-58.1-173.3000109.8L144 S146 G147 Y164 A173 E174 I175 F229 I276L144-I278 HydrophobicContact CB-CD1 4.09Å; L144-I278 HydrophobicContact CD1-CD1 3.68Å; L144-I278 HydrophobicContact CG-CD1 4.48Å; S146-I278 CarbonylContact C-O 3.19Å; S146-I278 VanDerWaalsContact CA-O 3.22Å; S146-I278 WeakPolarHBondContact CA-O 3.38Å; S146-I278 PolarHBondContact OG-O 3.21Å; G147-I278 PolarHBondContact N-O 2.82Å; Y164-I278 HydrophobicContact CD2-CB 4.44Å; Y164-I278 HydrophobicContact CD2-CD1 3.65Å; Y164-I278 HydrophobicContact CD2-CG2 4.06Å; Y164-I278 HydrophobicContact CE1-CG2 4.28Å; Y164-I278 HydrophobicContact CE2-CB 4.18Å; Y164-I278 HydrophobicContact CE2-CD1 4.25Å; Y164-I278 HydrophobicContact CE2-CG2 3.59Å; Y164-I278 HydrophobicContact CG-CD1 3.94Å; A173-I278 HydrophobicContact CB-CG2 4.02Å; E174-I278 CarbonylContact O-C 3.54Å; E174-I278 WeakPolarHBondContact O-CA 3.23Å; I175-I278 HydrophobicContact CB-CG1 4.43Å; I175-I278 HydrophobicContact CG1-CD1 4.05Å; I175-I278 HydrophobicContact CG1-CG1 4.05Å; I175-I278 HydrophobicContact CG1-CG2 4.49Å; I175-I278 HydrophobicContact CG2-CG1 4.14Å; F229-I278 HydrophobicContact CE2-CD1 4.34Å; F229-I278 HydrophobicContact CZ-CD1 4.34Å; I276-I278 HydrophobicContact CG2-CG1 4.35Å
279N85.8Confident78.9Confident64 Ų6465.9 Ų65.934%0.34233%0.33SS..EExtended strand (participates in β ladder)trans-92.4110.8174-76.1-18.9000109.7E174 T281E174-N279 HydrophobicContact CB-CB 4.42Å; E174-N279 PolarHBondContact N-O 2.94Å; E174-N279 PolarHBondContact O-N 2.9Å; N279-T281 PolarHBondContact O-N 2.85Å
280S76.6Confident79.9Confident11 Ų1162.1 Ų62.18%0.07730%0.303CS..  trans-85104.5172.754.60000109.5S146 Y164 K170S146-S280 VanDerWaalsContact CB-OG 3.22Å; S146-S280 WeakPolarHBondContact CB-OG 3.3Å; S146-S280 VanDerWaalsContact OG-CB 3.24Å; S146-S280 WeakPolarHBondContact OG-CB 3.32Å; S146-S280 PolarHBondContact OG-N 2.82Å; S146-S280 PolarHBondContact OG-OG 3.03Å; Y164-S280 WeakPolarHBondContact OH-CB 3.32Å; K170-S280 VanDerWaalsContact CD-CB 3.4Å; K170-S280 WeakPolarHBondContact CD-O 3.36Å; K170-S280 WeakPolarHBondContact CD-OG 3.38Å; K170-S280 WeakPolarHBondContact CE-O 3.31Å; K170-S280 PolarHBondContact NZ-O 3.26Å; K170-S280 PolarHBondContact NZ-OG 3.38Å
281T66.3Low80.2Confident62 Ų6262.3 Ų62.338%0.3831%0.307SS..  trans-79.5138.5177.347.30000110.1S172 N279 R283S172-T281 PolarHBondContact O-N 3.04Å; S172-T281 PolarHBondContact OG-O 3.4Å; S172-T281 PolarHBondContact OG-OG1 2.9Å; N279-T281 PolarHBondContact O-N 2.85Å; T281-R283 PolarHBondContact O-N 3.31Å
282H58.2Low80.2Confident116 Ų11665.2 Ų65.254%0.53732%0.318SS..  trans-72.8126.2166.9-173.2-70.8000107.4R284H282-R284 PolarHBondContact O-N 3.48Å
283R54.6Low80.1Confident96 Ų9666.6 Ų66.636%0.36233%0.332SS..  trans-68.581.7178.8-170.6-170-144.7-15116.8110.3K171 D221 T281K171-R283 HydrophobicContact CB-CB 3.78Å; K171-R283 HydrophobicContact CB-CG 4.46Å; K171-R283 HydrophobicContact CD-CB 4.5Å; D221-R283 IonicContact OD1-NH2 3.64Å; D221-R283 IonicContact OD2-CZ 2.77Å; D221-R283 IonicContact OD2-NE 3.66Å; D221-R283 PolarHBondContact OD2-NE 2.92Å; D221-R283 IonicContact OD2-NH2 2.74Å; D221-R283 PolarHBondContact OD2-NH2 2.92Å; T281-R283 PolarHBondContact O-N 3.31Å
284R48.2Very low80Confident208 Ų20863.4 Ų63.479%0.78531%0.31SS*.  trans-124.187.7174.9-151.8177-160.4163.75.2105.8H282 P286H282-R284 PolarHBondContact O-N 3.48Å; R284-P286 WeakPolarHBondContact O-CD 3.4Å
285W56.7Low80Confident110 Ų11065.4 Ų65.442%0.41732%0.322SS..  trans-52.4102.6-177-7471.4000109.8Y287 S723 L724W285-Y287 HydrophobicContact CB-CD2 3.86Å; W285-Y287 AromaticContact CD2-CD2 3.76Å; W285-Y287 HydrophobicContact CD2-CD2 3.76Å; W285-Y287 AromaticContact CD2-CE2 3.83Å; W285-Y287 HydrophobicContact CD2-CE2 3.83Å; W285-Y287 HydrophobicContact CD2-CG 4.49Å; W285-Y287 AromaticContact CE3-CD1 3.95Å; W285-Y287 HydrophobicContact CE3-CD1 3.95Å; W285-Y287 AromaticContact CE3-CD2 3.1Å; W285-Y287 HydrophobicContact CE3-CD2 3.1Å; W285-Y287 HydrophobicContact CE3-CE1 4.09Å; W285-Y287 AromaticContact CE3-CE2 3.27Å; W285-Y287 HydrophobicContact CE3-CE2 3.27Å; W285-Y287 AromaticContact CE3-CG 3.48Å; W285-Y287 HydrophobicContact CE3-CG 3.48Å; W285-Y287 VanDerWaalsContact CE3-CG 3.48Å; W285-Y287 AromaticContact CE3-CZ 3.79Å; W285-Y287 HydrophobicContact CG-CD2 4.12Å; W285-Y287 HydrophobicContact CG-CE2 4.41Å; W285-Y287 HydrophobicContact CH2-CE2 4.22Å; W285-Y287 AromaticContact CZ3-CD1 3.86Å; W285-Y287 HydrophobicContact CZ3-CD1 3.86Å; W285-Y287 AromaticContact CZ3-CD2 3.69Å; W285-Y287 HydrophobicContact CZ3-CD2 3.69Å; W285-Y287 AromaticContact CZ3-CE1 3.64Å; W285-Y287 HydrophobicContact CZ3-CE1 3.64Å; W285-Y287 AromaticContact CZ3-CE2 3.45Å; W285-Y287 HydrophobicContact CZ3-CE2 3.45Å; W285-Y287 VanDerWaalsContact CZ3-CE2 3.45Å; W285-Y287 AromaticContact CZ3-CG 3.9Å; W285-Y287 HydrophobicContact CZ3-CG 3.9Å; W285-Y287 AromaticContact CZ3-CZ 3.44Å; W285-Y287 VanDerWaalsContact CZ3-CZ 3.44Å; W285-S723 WeakPolarHBondContact CH2-O 3.24Å; W285-L724 HydrophobicContact CE3-CD1 4.35Å; W285-L724 HydrophobicContact CH2-CD1 3.69Å; W285-L724 HydrophobicContact CZ3-CB 4.3Å; W285-L724 HydrophobicContact CZ3-CD1 3.39Å; W285-L724 HydrophobicContact CZ3-CG 4.38Å
286P66.6Low79.9Confident74 Ų7462.5 Ų62.548%0.48132%0.319SS..THydrogen-bonded Turntrans-78.8-19175.56.811.4000109.8R284 L288 L289 P290R284-P286 WeakPolarHBondContact O-CD 3.4Å; P286-L288 CarbonylContact O-C 3.52Å; P286-L288 PolarHBondContact O-N 3.34Å; P286-L289 PolarHBondContact O-N 3.3Å; P286-P290 WeakPolarHBondContact O-CD 3.47Å
287Y78.1Confident79.9Confident26 Ų2665.9 Ų65.910%0.10234%0.34CS..THydrogen-bonded Turntrans-27.7-41.7178.6-67.6-107.2000114.9W285 L289 P290 I291 H722 S723 L724 F730 F1018W285-Y287 HydrophobicContact CB-CD2 3.86Å; W285-Y287 AromaticContact CD2-CD2 3.76Å; W285-Y287 HydrophobicContact CD2-CD2 3.76Å; W285-Y287 AromaticContact CD2-CE2 3.83Å; W285-Y287 HydrophobicContact CD2-CE2 3.83Å; W285-Y287 HydrophobicContact CD2-CG 4.49Å; W285-Y287 AromaticContact CE3-CD1 3.95Å; W285-Y287 HydrophobicContact CE3-CD1 3.95Å; W285-Y287 AromaticContact CE3-CD2 3.1Å; W285-Y287 HydrophobicContact CE3-CD2 3.1Å; W285-Y287 HydrophobicContact CE3-CE1 4.09Å; W285-Y287 AromaticContact CE3-CE2 3.27Å; W285-Y287 HydrophobicContact CE3-CE2 3.27Å; W285-Y287 AromaticContact CE3-CG 3.48Å; W285-Y287 HydrophobicContact CE3-CG 3.48Å; W285-Y287 VanDerWaalsContact CE3-CG 3.48Å; W285-Y287 AromaticContact CE3-CZ 3.79Å; W285-Y287 HydrophobicContact CG-CD2 4.12Å; W285-Y287 HydrophobicContact CG-CE2 4.41Å; W285-Y287 HydrophobicContact CH2-CE2 4.22Å; W285-Y287 AromaticContact CZ3-CD1 3.86Å; W285-Y287 HydrophobicContact CZ3-CD1 3.86Å; W285-Y287 AromaticContact CZ3-CD2 3.69Å; W285-Y287 HydrophobicContact CZ3-CD2 3.69Å; W285-Y287 AromaticContact CZ3-CE1 3.64Å; W285-Y287 HydrophobicContact CZ3-CE1 3.64Å; W285-Y287 AromaticContact CZ3-CE2 3.45Å; W285-Y287 HydrophobicContact CZ3-CE2 3.45Å; W285-Y287 VanDerWaalsContact CZ3-CE2 3.45Å; W285-Y287 AromaticContact CZ3-CG 3.9Å; W285-Y287 HydrophobicContact CZ3-CG 3.9Å; W285-Y287 AromaticContact CZ3-CZ 3.44Å; W285-Y287 VanDerWaalsContact CZ3-CZ 3.44Å; Y287-L289 VanDerWaalsContact C-N 3.29Å; Y287-L289 PolarHBondContact O-N 2.97Å; Y287-P290 WeakPolarHBondContact O-CD 3.42Å; Y287-I291 WeakPolarHBondContact O-CB 3.24Å; Y287-I291 VanDerWaalsContact O-CD1 3.28Å; Y287-I291 WeakPolarHBondContact O-CD1 3.18Å; Y287-I291 WeakPolarHBondContact O-CG1 3.26Å; Y287-I291 PolarHBondContact O-N 3.34Å; Y287-H722 HydrophobicContact CE1-CB 3.97Å; Y287-S723 PolarHBondContact OH-N 2.79Å; Y287-S723 PolarHBondContact OH-O 2.79Å; Y287-L724 HydrophobicContact CE1-CB 4.5Å; Y287-F730 HydrophobicContact CD1-CD1 4.44Å; Y287-F1018 AromaticContact CD1-CE2 3.38Å; Y287-F1018 HydrophobicContact CD1-CE2 3.38Å; Y287-F1018 AromaticContact CD1-CZ 3.67Å; Y287-F1018 HydrophobicContact CD1-CZ 3.67Å; Y287-F1018 HydrophobicContact CD2-CE2 4.47Å; Y287-F1018 AromaticContact CE1-CE2 3.51Å; Y287-F1018 HydrophobicContact CE1-CE2 3.51Å; Y287-F1018 AromaticContact CE1-CZ 3.98Å; Y287-F1018 HydrophobicContact CE1-CZ 3.98Å; Y287-F1018 AromaticContact CG-CE2 3.91Å; Y287-F1018 HydrophobicContact CG-CE2 3.91Å; Y287-F1018 HydrophobicContact CG-CZ 4.44Å
288L83.5Confident80Confident125 Ų12564.2 Ų64.265%0.65433%0.331SS*.Hα-helixtrans-53.2-44174.8-166.675.8000112.7P286 L292P286-L288 CarbonylContact O-C 3.52Å; P286-L288 PolarHBondContact O-N 3.34Å; L288-L292 HydrophobicContact CD1-CD1 3.99Å; L288-L292 HydrophobicContact CD1-CG 4.27Å; L288-L292 HydrophobicContact CD2-CD1 4.27Å; L288-L292 HydrophobicContact CG-CD1 3.73Å; L288-L292 HydrophobicContact CG-CG 4.24Å; L288-L292 WeakPolarHBondContact O-CB 3.5Å; L288-L292 WeakPolarHBondContact O-CG 3.31Å; L288-L292 PolarHBondContact O-N 3.42Å
289L86Confident80.2Confident119 Ų11968.1 Ų68.162%0.62335%0.352SS*.Hα-helixtrans-71.4-50-179.4179.970.1000112.9P286 Y287 I291 G293P286-L289 PolarHBondContact O-N 3.3Å; Y287-L289 VanDerWaalsContact C-N 3.29Å; Y287-L289 PolarHBondContact O-N 2.97Å; L289-I291 PolarHBondContact O-N 2.97Å; L289-G293 WeakPolarHBondContact O-CA 3.48Å; L289-G293 PolarHBondContact O-N 2.73Å
290P88.1Confident80.7Confident2 Ų270 Ų701%0.01336%0.362CS..Hα-helixtrans-61.2-38.4172.4-26.135.9000114P286 Y287 A294 L1016 F1018 Y1019P286-P290 WeakPolarHBondContact O-CD 3.47Å; Y287-P290 WeakPolarHBondContact O-CD 3.42Å; P290-A294 WeakPolarHBondContact O-CB 3.41Å; P290-A294 PolarHBondContact O-N 3.43Å; P290-L1016 HydrophobicContact CB-CD1 4.38Å; P290-L1016 HydrophobicContact CG-CB 4.16Å; P290-L1016 HydrophobicContact CG-CD1 4.42Å; P290-F1018 HydrophobicContact CB-CB 3.84Å; P290-F1018 HydrophobicContact CB-CD1 3.36Å; P290-F1018 HydrophobicContact CB-CD2 4.43Å; P290-F1018 HydrophobicContact CB-CE1 4Å; P290-F1018 HydrophobicContact CB-CG 3.6Å; P290-F1018 HydrophobicContact CG-CB 3.55Å; P290-F1018 HydrophobicContact CG-CD1 3.94Å; P290-F1018 HydrophobicContact CG-CD2 4.2Å; P290-F1018 HydrophobicContact CG-CG 3.61Å; P290-Y1019 VanDerWaalsContact C-OH 3.28Å; P290-Y1019 HydrophobicContact CB-CD2 4.44Å; P290-Y1019 HydrophobicContact CB-CE2 3.61Å; P290-Y1019 PolarHBondContact O-OH 2.81Å
291I90.3Very high81.6Confident42 Ų4271.5 Ų71.522%0.21537%0.366CS..Hα-helixtrans-71.8-49.9179.6-63.7164.8000110.7Y287 L289 G293 A294 V295 F730 I734Y287-I291 WeakPolarHBondContact O-CB 3.24Å; Y287-I291 VanDerWaalsContact O-CD1 3.28Å; Y287-I291 WeakPolarHBondContact O-CD1 3.18Å; Y287-I291 WeakPolarHBondContact O-CG1 3.26Å; Y287-I291 PolarHBondContact O-N 3.34Å; L289-I291 PolarHBondContact O-N 2.97Å; I291-G293 PolarHBondContact O-N 3.04Å; I291-A294 PolarHBondContact O-N 2.98Å; I291-V295 HydrophobicContact CG2-CG2 4.32Å; I291-V295 WeakPolarHBondContact O-CB 3.49Å; I291-V295 WeakPolarHBondContact O-CG2 3.23Å; I291-V295 PolarHBondContact O-N 2.81Å; I291-F730 HydrophobicContact CD1-CE1 3.77Å; I291-F730 HydrophobicContact CG1-CE1 4.34Å; I291-I734 HydrophobicContact CG1-CD1 4.49Å; I291-I734 HydrophobicContact CG1-CG1 4.24Å; I291-I734 HydrophobicContact CG1-CG2 4.43Å; I291-I734 HydrophobicContact CG2-CD1 4.39Å
292L90.3Very high83Confident107 Ų10771.1 Ų71.156%0.5636%0.358SS*.Hα-helixtrans-65.5-30.7175.6-69.6179.3000111.7L288 G296L288-L292 HydrophobicContact CD1-CD1 3.99Å; L288-L292 HydrophobicContact CD1-CG 4.27Å; L288-L292 HydrophobicContact CD2-CD1 4.27Å; L288-L292 HydrophobicContact CG-CD1 3.73Å; L288-L292 HydrophobicContact CG-CG 4.24Å; L288-L292 WeakPolarHBondContact O-CB 3.5Å; L288-L292 WeakPolarHBondContact O-CG 3.31Å; L288-L292 PolarHBondContact O-N 3.42Å; L292-G296 WeakPolarHBondContact O-CA 3.41Å; L292-G296 PolarHBondContact O-N 2.82Å
293G90.3Very high84.8Confident30 Ų3069.2 Ų69.231%0.30936%0.355SS..Hα-helixtrans-60.4-58.2170.800000111.1L289 I291 G296 T297L289-G293 WeakPolarHBondContact O-CA 3.48Å; L289-G293 PolarHBondContact O-N 2.73Å; I291-G293 PolarHBondContact O-N 3.04Å; G293-G296 PolarHBondContact O-N 2.76Å; G293-T297 WeakPolarHBondContact O-CG2 3Å; G293-T297 PolarHBondContact O-N 2.81Å; G293-T297 PolarHBondContact O-OG1 3.15Å
294A92Very high86.7Confident5 Ų567.9 Ų67.94%0.04136%0.357CS..Hα-helixtrans-60.8-52.3179.400000112.6P290 I291 G296 T297 Y298 I734 Y1019 F1027P290-A294 WeakPolarHBondContact O-CB 3.41Å; P290-A294 PolarHBondContact O-N 3.43Å; I291-A294 PolarHBondContact O-N 2.98Å; A294-G296 VanDerWaalsContact C-N 3.28Å; A294-G296 PolarHBondContact O-N 3.5Å; A294-T297 PolarHBondContact O-N 2.72Å; A294-T297 PolarHBondContact O-OG1 2.92Å; A294-Y298 WeakPolarHBondContact O-CD2 3.43Å; A294-Y298 PolarHBondContact O-N 3.35Å; A294-I734 HydrophobicContact CB-CG2 3.96Å; A294-Y1019 WeakPolarHBondContact CB-OH 3.31Å; A294-F1027 HydrophobicContact CB-CE1 3.8Å; A294-F1027 HydrophobicContact CB-CZ 3.65Å
295V94.2Very high88.8Confident42 Ų4258.9 Ų58.926%0.25533%0.326SS..Hα-helixtrans-63.6-37.7178.8176.80000110.9I291 Y298 L299 M741I291-V295 HydrophobicContact CG2-CG2 4.32Å; I291-V295 WeakPolarHBondContact O-CB 3.49Å; I291-V295 WeakPolarHBondContact O-CG2 3.23Å; I291-V295 PolarHBondContact O-N 2.81Å; V295-Y298 PolarHBondContact O-N 3.33Å; V295-L299 HydrophobicContact CG1-CD1 3.87Å; V295-L299 HydrophobicContact CG1-CG 4.23Å; V295-L299 WeakPolarHBondContact O-CB 3.49Å; V295-L299 VanDerWaalsContact O-CG 3.28Å; V295-L299 WeakPolarHBondContact O-CG 3.38Å; V295-L299 PolarHBondContact O-N 2.97Å; V295-M741 HydrophobicContact CG1-CE 4.5Å
296G94.1Very high90.5Very high33 Ų3358.1 Ų58.134%0.3433%0.328SS..Hα-helixtrans-64.8-40.6177.400000113.7L292 G293 A294 L299 L300L292-G296 WeakPolarHBondContact O-CA 3.41Å; L292-G296 PolarHBondContact O-N 2.82Å; G293-G296 PolarHBondContact O-N 2.76Å; A294-G296 VanDerWaalsContact C-N 3.28Å; A294-G296 PolarHBondContact O-N 3.5Å; G296-L299 PolarHBondContact O-N 2.67Å; G296-L300 PolarHBondContact O-N 2.88Å
297T93.2Very high91.8Very high73 Ų7358.6 Ų58.645%0.44833%0.326SS..Hα-helixtrans-63.9-40.5175.454.70000111.3G293 A294 L300 F301G293-T297 WeakPolarHBondContact O-CG2 3Å; G293-T297 PolarHBondContact O-N 2.81Å; G293-T297 PolarHBondContact O-OG1 3.15Å; A294-T297 PolarHBondContact O-N 2.72Å; A294-T297 PolarHBondContact O-OG1 2.92Å; T297-L300 WeakPolarHBondContact O-CB 3.31Å; T297-L300 PolarHBondContact O-N 3.03Å; T297-F301 WeakPolarHBondContact O-CD2 3.49Å
298Y95.9Very high92.3Very high2 Ų261.9 Ų61.91%0.00835%0.345CS..Hα-helixtrans-71.3-37.9174.9-62.4-61.3000113.2A294 V295 L300 F301 Y302 I737 G738 M741 L742 F1027 S1030 I1031A294-Y298 WeakPolarHBondContact O-CD2 3.43Å; A294-Y298 PolarHBondContact O-N 3.35Å; V295-Y298 PolarHBondContact O-N 3.33Å; Y298-L300 PolarHBondContact O-N 2.84Å; Y298-F301 WeakPolarHBondContact O-CB 3.4Å; Y298-F301 PolarHBondContact O-N 2.92Å; Y298-Y302 WeakPolarHBondContact O-CD2 3.43Å; Y298-I737 HydrophobicContact CD2-CG2 4.02Å; Y298-I737 HydrophobicContact CE2-CG2 4.17Å; Y298-G738 VanDerWaalsContact CE1-CA 3.47Å; Y298-M741 HydrophobicContact CG-CB 4.44Å; Y298-L742 HydrophobicContact CD1-CD1 3.85Å; Y298-L742 HydrophobicContact CD1-CD2 4.25Å; Y298-L742 HydrophobicContact CD1-CG 3.87Å; Y298-L742 HydrophobicContact CE1-CD1 3.81Å; Y298-L742 HydrophobicContact CE1-CG 4.31Å; Y298-F1027 HydrophobicContact CE2-CD1 4.06Å; Y298-F1027 HydrophobicContact CE2-CE1 4.16Å; Y298-F1027 VanDerWaalsContact OH-CA 3.28Å; Y298-F1027 WeakPolarHBondContact OH-CA 3.49Å; Y298-F1027 WeakPolarHBondContact OH-CD1 3.38Å; Y298-F1027 PolarHBondContact OH-O 3.18Å; Y298-S1030 PolarHBondContact OH-OG 2.62Å; Y298-I1031 HydrophobicContact CE1-CD1 4.39Å; Y298-I1031 HydrophobicContact CE1-CG1 4.03Å
299L95.4Very high92.6Very high84 Ų8458 Ų5844%0.4432%0.324SS..Hα-helixtrans-60.6-30.7173-75173.3000112.4V295 G296 F301 Y302 V303 M741V295-L299 HydrophobicContact CG1-CD1 3.87Å; V295-L299 HydrophobicContact CG1-CG 4.23Å; V295-L299 WeakPolarHBondContact O-CB 3.49Å; V295-L299 VanDerWaalsContact O-CG 3.28Å; V295-L299 WeakPolarHBondContact O-CG 3.38Å; V295-L299 PolarHBondContact O-N 2.97Å; G296-L299 PolarHBondContact O-N 2.67Å; L299-F301 VanDerWaalsContact C-N 3.29Å; L299-F301 PolarHBondContact O-N 3.44Å; L299-Y302 WeakPolarHBondContact O-CB 3.49Å; L299-Y302 PolarHBondContact O-N 3.29Å; L299-Y302 VanDerWaalsContact O-N 3.14Å; L299-V303 WeakPolarHBondContact O-CG2 3.22Å; L299-V303 PolarHBondContact O-N 2.86Å; L299-M741 HydrophobicContact CD2-CE 3.85Å; L299-M741 HydrophobicContact CG-CE 4.1Å
300L95.5Very high92.9Very high104 Ų10457.6 Ų57.655%0.54532%0.322SS..Hα-helixtrans-59.9-37.5173.1-174.364.4000112.1G296 T297 Y298 Y302 V303 V304G296-L300 PolarHBondContact O-N 2.88Å; T297-L300 WeakPolarHBondContact O-CB 3.31Å; T297-L300 PolarHBondContact O-N 3.03Å; Y298-L300 PolarHBondContact O-N 2.84Å; L300-Y302 VanDerWaalsContact C-N 3.32Å; L300-Y302 PolarHBondContact O-N 2.86Å; L300-V303 PolarHBondContact O-N 2.75Å; L300-V304 HydrophobicContact CD1-CG2 4.23Å; L300-V304 HydrophobicContact CG-CG2 4.24Å; L300-V304 WeakPolarHBondContact O-CB 3.22Å; L300-V304 VanDerWaalsContact O-CG2 3.3Å; L300-V304 WeakPolarHBondContact O-CG2 3.26Å; L300-V304 PolarHBondContact O-N 3.45Å
301F95.7Very high93Very high41 Ų4162.5 Ų62.518%0.1835%0.348CS..Hα-helixtrans-62.8-38.5175.2-77.8-109000111.9T297 Y298 L299 T305 L742 L745 I1031 F1034 F1035T297-F301 WeakPolarHBondContact O-CD2 3.49Å; Y298-F301 WeakPolarHBondContact O-CB 3.4Å; Y298-F301 PolarHBondContact O-N 2.92Å; L299-F301 VanDerWaalsContact C-N 3.29Å; L299-F301 PolarHBondContact O-N 3.44Å; F301-T305 WeakPolarHBondContact O-CB 3.36Å; F301-T305 PolarHBondContact O-N 2.69Å; F301-T305 PolarHBondContact O-OG1 3.04Å; F301-L742 HydrophobicContact CB-CD2 3.95Å; F301-L742 HydrophobicContact CD1-CD2 3.9Å; F301-L742 HydrophobicContact CD2-CD2 4.42Å; F301-L742 HydrophobicContact CG-CD2 3.85Å; F301-L745 HydrophobicContact CB-CD2 3.83Å; F301-I1031 HydrophobicContact CE1-CG2 4.44Å; F301-I1031 HydrophobicContact CE2-CD1 4.36Å; F301-I1031 HydrophobicContact CE2-CG1 4.34Å; F301-I1031 HydrophobicContact CZ-CD1 4.26Å; F301-I1031 HydrophobicContact CZ-CG1 4Å; F301-I1031 HydrophobicContact CZ-CG2 3.94Å; F301-F1034 HydrophobicContact CD1-CD1 4.11Å; F301-F1034 HydrophobicContact CD1-CE1 4Å; F301-F1034 HydrophobicContact CE1-CD1 4.2Å; F301-F1034 HydrophobicContact CE1-CE1 4.45Å; F301-F1035 AromaticContact CE1-CE1 3.82Å; F301-F1035 HydrophobicContact CE1-CE1 3.82Å; F301-F1035 HydrophobicContact CE1-CE2 4.48Å; F301-F1035 AromaticContact CE1-CZ 3.63Å; F301-F1035 HydrophobicContact CE1-CZ 3.63Å; F301-F1035 HydrophobicContact CZ-CZ 4.04Å
302Y96Very high92.8Very high54 Ų5466.4 Ų66.421%0.21236%0.36CS..Hα-helixtrans-64.4-46.5173.7-77.5-106.1000111.2Y298 L299 L300 T305 I306 M741 L745Y298-Y302 WeakPolarHBondContact O-CD2 3.43Å; L299-Y302 WeakPolarHBondContact O-CB 3.49Å; L299-Y302 PolarHBondContact O-N 3.29Å; L299-Y302 VanDerWaalsContact O-N 3.14Å; L300-Y302 VanDerWaalsContact C-N 3.32Å; L300-Y302 PolarHBondContact O-N 2.86Å; Y302-T305 PolarHBondContact O-N 3.15Å; Y302-I306 VanDerWaalsContact O-CG1 3.27Å; Y302-I306 WeakPolarHBondContact O-CG1 3.37Å; Y302-I306 PolarHBondContact O-N 3.27Å; Y302-M741 HydrophobicContact CE2-CB 4.24Å; Y302-M741 HydrophobicContact CE2-CE 4.39Å; Y302-M741 HydrophobicContact CE2-SD 4.49Å; Y302-M741 PolarHBondContact OH-O 3Å; Y302-L745 HydrophobicContact CD1-CD1 3.84Å; Y302-L745 HydrophobicContact CD2-CD1 4.43Å; Y302-L745 HydrophobicContact CD2-CD2 4.19Å; Y302-L745 HydrophobicContact CE1-CB 4.22Å; Y302-L745 HydrophobicContact CE1-CD1 4.03Å; Y302-L745 HydrophobicContact CE2-CB 3.97Å; Y302-L745 HydrophobicContact CE2-CD2 4.39Å; Y302-L745 HydrophobicContact CG-CD1 4.07Å
303V95.7Very high92.6Very high76 Ų7665.6 Ų65.646%0.46135%0.353SS..Hα-helixtrans-62.1-48.9179173.40000111.2L299 L300 T305 I306 I307L299-V303 WeakPolarHBondContact O-CG2 3.22Å; L299-V303 PolarHBondContact O-N 2.86Å; L300-V303 PolarHBondContact O-N 2.75Å; V303-T305 VanDerWaalsContact C-N 3.31Å; V303-T305 PolarHBondContact O-N 2.91Å; V303-I306 PolarHBondContact O-N 3.33Å; V303-I307 HydrophobicContact CG1-CD1 3.87Å; V303-I307 VanDerWaalsContact O-CG1 3.32Å; V303-I307 WeakPolarHBondContact O-CG1 3.28Å; V303-I307 PolarHBondContact O-N 3.39Å
304V94.3Very high92.6Very high68 Ų6873.4 Ų73.441%0.41237%0.374SS..Hα-helixtrans-59.3-43175.71700000110.7L300 I307 I308L300-V304 HydrophobicContact CD1-CG2 4.23Å; L300-V304 HydrophobicContact CG-CG2 4.24Å; L300-V304 WeakPolarHBondContact O-CB 3.22Å; L300-V304 VanDerWaalsContact O-CG2 3.3Å; L300-V304 WeakPolarHBondContact O-CG2 3.26Å; L300-V304 PolarHBondContact O-N 3.45Å; V304-I307 PolarHBondContact O-N 3.22Å; V304-I308 HydrophobicContact CG1-CD1 3.8Å; V304-I308 HydrophobicContact CG1-CG1 4.47Å; V304-I308 VanDerWaalsContact O-CG1 3.31Å; V304-I308 WeakPolarHBondContact O-CG1 3.11Å; V304-I308 PolarHBondContact O-N 2.95Å
305T92.4Very high92.3Very high20 Ų2076.1 Ų76.112%0.12340%0.396CS..Hα-helixtrans-61.5-45.3176.1-64.30000111.9F301 Y302 V303 I307 I308 I309 L745 L749F301-T305 WeakPolarHBondContact O-CB 3.36Å; F301-T305 PolarHBondContact O-N 2.69Å; F301-T305 PolarHBondContact O-OG1 3.04Å; Y302-T305 PolarHBondContact O-N 3.15Å; V303-T305 VanDerWaalsContact C-N 3.31Å; V303-T305 PolarHBondContact O-N 2.91Å; T305-I307 PolarHBondContact O-N 3.09Å; T305-I308 PolarHBondContact O-N 2.85Å; T305-I309 HydrophobicContact CG2-CD1 3.76Å; T305-I309 HydrophobicContact CG2-CG1 4.4Å; T305-I309 WeakPolarHBondContact O-CB 3.47Å; T305-I309 WeakPolarHBondContact O-CG1 3.19Å; T305-I309 PolarHBondContact O-N 2.98Å; T305-L745 HydrophobicContact CG2-CD1 4.07Å; T305-L749 HydrophobicContact CG2-CD1 4.2Å; T305-L749 HydrophobicContact CG2-CD2 3.66Å; T305-L749 HydrophobicContact CG2-CG 4.16Å
306I93.3Very high91.8Very high93 Ų9376.9 Ų76.948%0.47740%0.397SS..Hα-helixtrans-61.3-44.2176.4-70.5163.2000110.4Y302 V303 I308 I309 L310Y302-I306 VanDerWaalsContact O-CG1 3.27Å; Y302-I306 WeakPolarHBondContact O-CG1 3.37Å; Y302-I306 PolarHBondContact O-N 3.27Å; V303-I306 PolarHBondContact O-N 3.33Å; I306-I308 PolarHBondContact O-N 3.48Å; I306-I309 PolarHBondContact O-N 3.43Å; I306-L310 HydrophobicContact CG2-CD1 3.84Å; I306-L310 HydrophobicContact CG2-CG 4.31Å; I306-L310 WeakPolarHBondContact O-CB 3.45Å; I306-L310 VanDerWaalsContact O-CG 3.27Å; I306-L310 WeakPolarHBondContact O-CG 3.44Å; I306-L310 PolarHBondContact O-N 3.21Å
307I93.6Very high91.3Very high84 Ų8483.6 Ų83.643%0.43141%0.412SS..Hα-helixtrans-59.5-47.7176-68.8165.8000110.6V303 V304 T305 I309 L310 L311V303-I307 HydrophobicContact CG1-CD1 3.87Å; V303-I307 VanDerWaalsContact O-CG1 3.32Å; V303-I307 WeakPolarHBondContact O-CG1 3.28Å; V303-I307 PolarHBondContact O-N 3.39Å; V304-I307 PolarHBondContact O-N 3.22Å; T305-I307 PolarHBondContact O-N 3.09Å; I307-I309 VanDerWaalsContact C-N 3.33Å; I307-I309 PolarHBondContact O-N 3.01Å; I307-L310 PolarHBondContact O-N 2.87Å; I307-L311 HydrophobicContact CG2-CD1 3.82Å; I307-L311 HydrophobicContact CG2-CG 4.25Å; I307-L311 WeakPolarHBondContact O-CB 3.41Å; I307-L311 VanDerWaalsContact O-CG 3.28Å; I307-L311 WeakPolarHBondContact O-CG 3.45Å; I307-L311 PolarHBondContact O-N 3.17Å
308I89.6Confident90.9Very high96 Ų9689.8 Ų89.849%0.49243%0.427SS..Hα-helixtrans-60-42.5176.8-69.1166.8000111.1V304 T305 I306 L311 Y312V304-I308 HydrophobicContact CG1-CD1 3.8Å; V304-I308 HydrophobicContact CG1-CG1 4.47Å; V304-I308 VanDerWaalsContact O-CG1 3.31Å; V304-I308 WeakPolarHBondContact O-CG1 3.11Å; V304-I308 PolarHBondContact O-N 2.95Å; T305-I308 PolarHBondContact O-N 2.85Å; I306-I308 PolarHBondContact O-N 3.48Å; I308-L311 PolarHBondContact O-N 2.95Å; I308-Y312 VanDerWaalsContact O-CB 3.28Å; I308-Y312 WeakPolarHBondContact O-CB 3.37Å; I308-Y312 PolarHBondContact O-N 3.27Å
309I89.1Confident90.2Very high43 Ų4395.8 Ų95.822%0.22145%0.453CS..Hα-helixtrans-62.9-43.8177-69.3168.6000111.2T305 I306 I307 Y312 H313 L749T305-I309 HydrophobicContact CG2-CD1 3.76Å; T305-I309 HydrophobicContact CG2-CG1 4.4Å; T305-I309 WeakPolarHBondContact O-CB 3.47Å; T305-I309 WeakPolarHBondContact O-CG1 3.19Å; T305-I309 PolarHBondContact O-N 2.98Å; I306-I309 PolarHBondContact O-N 3.43Å; I307-I309 VanDerWaalsContact C-N 3.33Å; I307-I309 PolarHBondContact O-N 3.01Å; I309-Y312 PolarHBondContact O-N 2.57Å; I309-H313 WeakPolarHBondContact O-CB 3.32Å; I309-H313 PolarHBondContact O-N 3.48Å; I309-L749 HydrophobicContact CD1-CD2 4.35Å
310L91.4Very high89.4Confident111 Ų11198 Ų9858%0.58146%0.456SS*.Hα-helixtrans-67.2-42.4178.3-70.6171.9000111.9I306 I307 H313 R314I306-L310 HydrophobicContact CG2-CD1 3.84Å; I306-L310 HydrophobicContact CG2-CG 4.31Å; I306-L310 WeakPolarHBondContact O-CB 3.45Å; I306-L310 VanDerWaalsContact O-CG 3.27Å; I306-L310 WeakPolarHBondContact O-CG 3.44Å; I306-L310 PolarHBondContact O-N 3.21Å; I307-L310 PolarHBondContact O-N 2.87Å; L310-H313 PolarHBondContact O-N 3.42Å; L310-R314 WeakPolarHBondContact O-CB 3.24Å; L310-R314 PolarHBondContact O-N 3.27Å
311L91Very high88.7Confident105 Ų10599.3 Ų99.355%0.5546%0.457SS..Hα-helixtrans-63-45.2174.9-71.2174.8000111.3I307 I308 R314 A315I307-L311 HydrophobicContact CG2-CD1 3.82Å; I307-L311 HydrophobicContact CG2-CG 4.25Å; I307-L311 WeakPolarHBondContact O-CB 3.41Å; I307-L311 VanDerWaalsContact O-CG 3.28Å; I307-L311 WeakPolarHBondContact O-CG 3.45Å; I307-L311 PolarHBondContact O-N 3.17Å; I308-L311 PolarHBondContact O-N 2.95Å; L311-R314 PolarHBondContact O-N 2.88Å; L311-A315 WeakPolarHBondContact O-CB 3.22Å; L311-A315 PolarHBondContact O-N 3.49Å
312Y86.4Confident88Confident123 Ų123102.5 Ų102.548%0.48248%0.476SS..Hα-helixtrans-60.7-47.3175.2-175.3-86.6000111.4I308 I309 R314 A315 E316I308-Y312 VanDerWaalsContact O-CB 3.28Å; I308-Y312 WeakPolarHBondContact O-CB 3.37Å; I308-Y312 PolarHBondContact O-N 3.27Å; I309-Y312 PolarHBondContact O-N 2.57Å; Y312-R314 VanDerWaalsContact C-N 3.3Å; Y312-R314 PolarHBondContact O-N 2.81Å; Y312-A315 PolarHBondContact O-N 3.17Å; Y312-E316 HydrophobicContact CE1-CB 4.5Å; Y312-E316 VanDerWaalsContact CE1-OE2 3.28Å; Y312-E316 WeakPolarHBondContact CE1-OE2 3.45Å; Y312-E316 WeakPolarHBondContact O-CB 3.37Å; Y312-E316 PolarHBondContact O-N 2.81Å
313H86.6Confident87.2Confident90 Ų90103.3 Ų103.342%0.41748%0.484SS..Hα-helixtrans-65.2-33178-167.2-50.4000112.2I309 L310 R317I309-H313 WeakPolarHBondContact O-CB 3.32Å; I309-H313 PolarHBondContact O-N 3.48Å; L310-H313 PolarHBondContact O-N 3.42Å; H313-R317 VanDerWaalsContact O-CB 3.29Å; H313-R317 WeakPolarHBondContact O-CB 3.38Å; H313-R317 PolarHBondContact O-N 2.93Å
314R88.8Confident86.4Confident195 Ų195105.6 Ų105.674%0.73649%0.489SS*.Hα-helixtrans-69-42.6173.5-172176.2-176172.91.1111.3L310 L311 Y312 R318L310-R314 WeakPolarHBondContact O-CB 3.24Å; L310-R314 PolarHBondContact O-N 3.27Å; L311-R314 PolarHBondContact O-N 2.88Å; Y312-R314 VanDerWaalsContact C-N 3.3Å; Y312-R314 PolarHBondContact O-N 2.81Å; R314-R318 WeakPolarHBondContact O-CB 3.48Å; R314-R318 PolarHBondContact O-N 2.86Å
315A86.9Confident85.6Confident62 Ų62106.5 Ų106.551%0.51249%0.492SS..Hα-helixtrans-63.8-44.8175.300000111.7L311 Y312 R318 K319L311-A315 WeakPolarHBondContact O-CB 3.22Å; L311-A315 PolarHBondContact O-N 3.49Å; Y312-A315 PolarHBondContact O-N 3.17Å; A315-R318 PolarHBondContact O-N 2.98Å; A315-K319 WeakPolarHBondContact O-CB 3.31Å; A315-K319 PolarHBondContact O-N 3.48Å
316E83.4Confident84.7Confident58 Ų58109.3 Ų109.327%0.27151%0.508SS..Hα-helixtrans-66.5-38.1178.1-165.3-168.5145.300112.3Y312 K319 R320Y312-E316 HydrophobicContact CE1-CB 4.5Å; Y312-E316 VanDerWaalsContact CE1-OE2 3.28Å; Y312-E316 WeakPolarHBondContact CE1-OE2 3.45Å; Y312-E316 WeakPolarHBondContact O-CB 3.37Å; Y312-E316 PolarHBondContact O-N 2.81Å; E316-K319 PolarHBondContact O-N 3.34Å; E316-R320 PolarHBondContact O-N 3.4Å; E316-R320 IonicContact OE1-CZ 3.37Å; E316-R320 IonicContact OE1-NE 3.79Å; E316-R320 IonicContact OE1-NH2 2.65Å; E316-R320 PolarHBondContact OE1-NH2 3.31Å
317R83.9Confident83.5Confident173 Ų173107.3 Ų107.365%0.65351%0.506SS*.Hα-helixtrans-67-41.5172.8-175.5-178.8-78175.1-3.8111.3H313 K319 R320 F321H313-R317 VanDerWaalsContact O-CB 3.29Å; H313-R317 WeakPolarHBondContact O-CB 3.38Å; H313-R317 PolarHBondContact O-N 2.93Å; R317-K319 VanDerWaalsContact C-N 3.33Å; R317-R320 PolarHBondContact O-N 3.42Å; R317-F321 WeakPolarHBondContact O-CB 3.05Å; R317-F321 PolarHBondContact O-N 3.02Å
318R84.8Confident82.2Confident204 Ų204108.8 Ų108.877%0.7752%0.515SS*.Hα-helixtrans-64.8-37.5175.8-168.8178.2-171.1179.13.1111.6R314 A315 L322R314-R318 WeakPolarHBondContact O-CB 3.48Å; R314-R318 PolarHBondContact O-N 2.86Å; A315-R318 PolarHBondContact O-N 2.98Å; R318-L322 WeakPolarHBondContact O-CB 3.42Å; R318-L322 PolarHBondContact O-N 3.47Å
319K80.2Confident80.7Confident128 Ų128112.4 Ų112.456%0.55753%0.527SS*.Hα-helixtrans-65.6-50.8174.6-166.1-168.8170.9-169.20111.1A315 E316 R317 F321 L322 D323A315-K319 WeakPolarHBondContact O-CB 3.31Å; A315-K319 PolarHBondContact O-N 3.48Å; E316-K319 PolarHBondContact O-N 3.34Å; R317-K319 VanDerWaalsContact C-N 3.33Å; K319-F321 VanDerWaalsContact C-N 3.28Å; K319-F321 PolarHBondContact O-N 3.5Å; K319-L322 CarbonylContact O-C 3.46Å; K319-L322 WeakPolarHBondContact O-CA 3.3Å; K319-L322 WeakPolarHBondContact O-CB 3.5Å; K319-L322 PolarHBondContact O-N 3.19Å; K319-D323 WeakPolarHBondContact CE-OD1 3.43Å; K319-D323 WeakPolarHBondContact CE-OD2 3.33Å; K319-D323 VanDerWaalsContact O-CG 3.24Å; K319-D323 PolarHBondContact O-N 3.33Å
320R78.4Confident79Confident131 Ų131117.5 Ų117.549%0.49455%0.55SS..Hα-helixtrans-56.4-41.7176.8-84.8-174.6-86.1-169.4-10.6112.8E316 R317 L322 D323 E324E316-R320 PolarHBondContact O-N 3.4Å; E316-R320 IonicContact OE1-CZ 3.37Å; E316-R320 IonicContact OE1-NE 3.79Å; E316-R320 IonicContact OE1-NH2 2.65Å; E316-R320 PolarHBondContact OE1-NH2 3.31Å; R317-R320 PolarHBondContact O-N 3.42Å; R320-L322 VanDerWaalsContact C-N 3.32Å; R320-L322 PolarHBondContact O-N 3.2Å; R320-D323 PolarHBondContact O-N 3.38Å; R320-E324 WeakPolarHBondContact O-CB 3.31Å; R320-E324 PolarHBondContact O-N 3Å
321F82.4Confident76.9Confident130 Ų130117.4 Ų117.457%0.5756%0.558SS**Hα-helixtrans-64.1-35174.8-177.6-100.9000113R317 K319 L325R317-F321 WeakPolarHBondContact O-CB 3.05Å; R317-F321 PolarHBondContact O-N 3.02Å; K319-F321 VanDerWaalsContact C-N 3.28Å; K319-F321 PolarHBondContact O-N 3.5Å; F321-L325 HydrophobicContact CD1-CD1 4.19Å; F321-L325 HydrophobicContact CE1-CD1 3.66Å; F321-L325 HydrophobicContact CE2-CD1 4.04Å; F321-L325 HydrophobicContact CZ-CD1 3.58Å; F321-L325 PolarHBondContact O-N 3.27Å
322L80.8Confident74.7Confident108 Ų108115.2 Ų115.257%0.56556%0.56SS**Hα-helixtrans-71.5-46.7174.8-171.668.7000111.5R318 K319 R320 E324 L325 T326R318-L322 WeakPolarHBondContact O-CB 3.42Å; R318-L322 PolarHBondContact O-N 3.47Å; K319-L322 CarbonylContact O-C 3.46Å; K319-L322 WeakPolarHBondContact O-CA 3.3Å; K319-L322 WeakPolarHBondContact O-CB 3.5Å; K319-L322 PolarHBondContact O-N 3.19Å; R320-L322 VanDerWaalsContact C-N 3.32Å; R320-L322 PolarHBondContact O-N 3.2Å; L322-E324 VanDerWaalsContact C-N 3.27Å; L322-E324 PolarHBondContact O-N 2.97Å; L322-L325 WeakPolarHBondContact O-CB 3.35Å; L322-L325 PolarHBondContact O-N 3.49Å; L322-L325 VanDerWaalsContact O-N 3.08Å; L322-T326 PolarHBondContact O-N 3.29Å; L322-T326 PolarHBondContact O-OG1 3.2Å
323D78.1Confident72.7Confident72 Ų72113.6 Ų113.639%0.38557%0.567SS.*Hα-helixtrans-57-42.7176.7-61.9-23.8000110K319 R320 T326 A327K319-D323 WeakPolarHBondContact CE-OD1 3.43Å; K319-D323 WeakPolarHBondContact CE-OD2 3.33Å; K319-D323 VanDerWaalsContact O-CG 3.24Å; K319-D323 PolarHBondContact O-N 3.33Å; R320-D323 PolarHBondContact O-N 3.38Å; D323-T326 WeakPolarHBondContact CA-OG1 3.41Å; D323-T326 PolarHBondContact O-N 2.89Å; D323-T326 PolarHBondContact O-OG1 2.67Å; D323-A327 PolarHBondContact O-N 3.39Å
324E79.1Confident70.4Confident123 Ų123116.8 Ų116.858%0.57559%0.587SS**Hα-helixtrans-67.9-34.9175.2-171.4170.3-154.700112.8R320 L322 N328R320-E324 WeakPolarHBondContact O-CB 3.31Å; R320-E324 PolarHBondContact O-N 3Å; L322-E324 VanDerWaalsContact C-N 3.27Å; L322-E324 PolarHBondContact O-N 2.97Å; E324-N328 WeakPolarHBondContact O-CB 3.47Å; E324-N328 VanDerWaalsContact O-CG 3.27Å; E324-N328 PolarHBondContact O-N 3.48Å; E324-N328 VanDerWaalsContact O-N 3.16Å; E324-N328 PolarHBondContact O-ND2 3.37Å
325L77.4Confident67.8Low88 Ų88112.8 Ų112.846%0.46159%0.588SS.*Hα-helixtrans-65.2-43.2171.3-118.285.4000112.2F321 L322 N328 F329F321-L325 HydrophobicContact CD1-CD1 4.19Å; F321-L325 HydrophobicContact CE1-CD1 3.66Å; F321-L325 HydrophobicContact CE2-CD1 4.04Å; F321-L325 HydrophobicContact CZ-CD1 3.58Å; F321-L325 PolarHBondContact O-N 3.27Å; L322-L325 WeakPolarHBondContact O-CB 3.35Å; L322-L325 PolarHBondContact O-N 3.49Å; L322-L325 VanDerWaalsContact O-N 3.08Å; L325-N328 PolarHBondContact O-N 2.82Å; L325-F329 PolarHBondContact O-N 3.46Å
326T74.1Confident65.1Low78 Ų78116.8 Ų116.848%0.47960%0.601SS.*Hα-helixtrans-66-42.6177.831.70000112.3L322 D323 N328 F329 E330L322-T326 PolarHBondContact O-N 3.29Å; L322-T326 PolarHBondContact O-OG1 3.2Å; D323-T326 WeakPolarHBondContact CA-OG1 3.41Å; D323-T326 PolarHBondContact O-N 2.89Å; D323-T326 PolarHBondContact O-OG1 2.67Å; T326-N328 VanDerWaalsContact C-N 3.3Å; T326-N328 PolarHBondContact O-N 2.95Å; T326-F329 WeakPolarHBondContact O-CB 3.43Å; T326-F329 PolarHBondContact O-N 3.29Å; T326-E330 PolarHBondContact O-N 3.21Å
327A68.5Low62.8Low51 Ų51120.2 Ų120.242%0.42163%0.628SS.*Hα-helixtrans-61.5-38.7176.800000112.2D323 F329 E330 C331D323-A327 PolarHBondContact O-N 3.39Å; A327-F329 VanDerWaalsContact C-N 3.26Å; A327-F329 PolarHBondContact O-N 2.91Å; A327-E330 PolarHBondContact O-N 3.05Å; A327-C331 PolarHBondContact O-N 2.93Å
328N64.8Low60.3Low115 Ų115117.2 Ų117.262%0.61563%0.629SS**Hα-helixtrans-70.7-19.2174.7-71-34.8000113.5E324 L325 T326E324-N328 WeakPolarHBondContact O-CB 3.47Å; E324-N328 VanDerWaalsContact O-CG 3.27Å; E324-N328 PolarHBondContact O-N 3.48Å; E324-N328 VanDerWaalsContact O-N 3.16Å; E324-N328 PolarHBondContact O-ND2 3.37Å; L325-N328 PolarHBondContact O-N 2.82Å; T326-N328 VanDerWaalsContact C-N 3.3Å; T326-N328 PolarHBondContact O-N 2.95Å
329F59.3Low57.8Low172 Ų172114 Ų11475%0.75463%0.631SS**Hα-helixtrans-83.7-36.5174.5-127.3-87.1000112.1L325 T326 A327 C331 G332L325-F329 PolarHBondContact O-N 3.46Å; T326-F329 WeakPolarHBondContact O-CB 3.43Å; T326-F329 PolarHBondContact O-N 3.29Å; A327-F329 VanDerWaalsContact C-N 3.26Å; A327-F329 PolarHBondContact O-N 2.91Å; F329-C331 VanDerWaalsContact C-N 3.35Å; F329-G332 PolarHBondContact O-N 2.89Å
330E53.1Low55.4Low150 Ų150114 Ų11470%0.70165%0.646SS**Hα-helixtrans-67.7-31.4175.8-72.2179.6145.700112.7T326 A327 G332 S333T326-E330 PolarHBondContact O-N 3.21Å; A327-E330 PolarHBondContact O-N 3.05Å; E330-G332 PolarHBondContact O-N 3.38Å; E330-S333 PolarHBondContact O-OG 3.4Å
331C47.1Very low53Low110 Ų110113.4 Ų113.474%0.74366%0.662SS**THydrogen-bonded Turntrans-75.1-2.3169.1-77.10000114.4A327 F329A327-C331 PolarHBondContact O-N 2.93Å; F329-C331 VanDerWaalsContact C-N 3.35Å
332G45.9Very low50.8Low59 Ų59113.5 Ų113.561%0.60867%0.673SS**THydrogen-bonded Turntrans-90.6-5.9177.500000114.7F329 E330F329-G332 PolarHBondContact O-N 2.89Å; E330-G332 PolarHBondContact O-N 3.38Å
333S43.7Very low48.3Very low89 Ų89115.3 Ų115.362%0.62268%0.683SS**  trans-104.75.9-171.8390000116E330 C335E330-S333 PolarHBondContact O-OG 3.4Å; S333-C335 PolarHBondContact O-N 3Å; S333-C335 VanDerWaalsContact O-N 3.09Å
334D37.4Very low46Very low156 Ų156120.4 Ų120.483%0.83471%0.71SS**  trans-80.484.3168-80.3-27.4000110.3
335C34.4Very low43.6Very low112 Ų112119.3 Ų119.376%0.75772%0.716SS**  trans-129.3123.9163-72.30000108.3S333S333-C335 PolarHBondContact O-N 3Å; S333-C335 VanDerWaalsContact O-N 3.09Å
336D31.1Very low41.4Very low145 Ų145122.6 Ų122.678%0.77573%0.734SS**  trans-28.9125.1-165.7-75.6-58.3000118.7T338D336-T338 PolarHBondContact O-N 3.39Å
337P35.1Very low39.4Very low130 Ų130123.6 Ų123.684%0.84474%0.744SS**  trans-90.176.5160.236-30.8000110.5
338T31.5Very low37.7Very low110 Ų110128.6 Ų128.668%0.67576%0.764SS**  trans-126.8142.6162.857.20000111.8D336D336-T338 PolarHBondContact O-N 3.39Å
339V31.6Very low36Very low136 Ų136129.7 Ų129.782%0.82477%0.769SS**SBendtrans69.582.2178-162.40000115.9
340C30.6Very low34.7Very low128 Ų128129.4 Ų129.487%0.86577%0.767SS**  -176.291.9121.5-92.80000111.4
341S27.5Very low33.7Very low119 Ų119129.5 Ų129.583%0.83277%0.768SS**  trans-117.3100.416446.90000109.8
342V35.5Very low32.8Very low132 Ų132129.4 Ų129.480%0.876%0.764SS**  trans-135.9103.3165.3-177.10000109.3
343N28.7Very low32.1Very low146 Ų146133.5 Ų133.578%0.78177%0.771SS**  trans30.6112.9147.5-55.3-18.7000119.2
344L30.8Very low31.5Very low180 Ų180135.1 Ų135.194%0.94278%0.778SS**  -152.2108.5112.6-149.269.9000112.5
345S26.9Very low31.1Very low100 Ų100136.3 Ų136.370%0.69978%0.778SS**  trans-100.6120.6163.953.10000109.2
346N31.7Very low31Very low157 Ų157135.3 Ų135.384%0.8478%0.778SS**  trans-178.5160.2139.2-96.6-21.9000114.6
347S33.4Very low30.9Very low99 Ų99133 Ų13369%0.69277%0.773SS**  trans67.698.5168.148.40000119.3
348N32.1Very low30.8Very low155 Ų155133 Ų13383%0.82977%0.771SS**  39.7145.8103.1-54.1-8.7000118.2
349L29.4Very low30.6Very low139 Ų139132.6 Ų132.673%0.72877%0.773SS**  cis166.1159.8-3.3-177.166.5000104.4
350F31.2Very low30.6Very low165 Ų165132.9 Ų132.972%0.72478%0.779SS**  trans84.1117.5168.9-78.3-78.8000121.9
351H32Very low30.6Very low153 Ų153131.7 Ų131.771%0.70877%0.772SS**  trans52.5127135.4-79.7-123.6000121
352V29.3Very low30.7Very low108 Ų108131 Ų13166%0.65577%0.767SS**  cis93.1130.549.41670000113.6
353N31.5Very low30.7Very low144 Ų144131.2 Ų131.277%0.7777%0.769SS**  trans80.9116.4-179.3-58.3-20000115.3
354T29.8Very low30.9Very low124 Ų124131.4 Ų131.476%0.76177%0.769SS**  cis87.6106.940.2-50.70000113.4
355E30.1Very low31.1Very low180 Ų180128.1 Ų128.184%0.84176%0.758SS**  trans156.6115141.8-87.6178.8-163.700108.8
356A31.7Very low31.3Very low92 Ų92128.9 Ų128.976%0.7676%0.758SS**  74141.495.800000113.8
357S28.5Very low31.4Very low96 Ų96130.2 Ų130.267%0.67176%0.759SS**  cis-169.9174.8-14.955.90000108.6
358T32.1Very low31.1Very low131 Ų131131.4 Ų131.480%0.80476%0.762SS**  trans67.9153.6171.272.80000117.6
359S29Very low31.2Very low101 Ų101129.6 Ų129.671%0.70676%0.762SS**  cis-172.9133.8-33.553.30000108.6
360C30.1Very low31.1Very low141 Ų141129.3 Ų129.395%0.95377%0.766SS**  trans-170.7155.1148.4-112.70000111.4
361S30.8Very low30.9Very low103 Ų103127.2 Ų127.272%0.7277%0.771SS**  trans-111.1158.1-162.256.60000115
362S30.8Very low30.8Very low104 Ų104125.1 Ų125.173%0.72777%0.773SS**  trans59.1105.5143.462.20000120.5
363T34.2Very low30.8Very low138 Ų138126.1 Ų126.185%0.84778%0.779SS**  -147.8132.6119.6-35.90000110.2
364I33.4Very low30.9Very low150 Ų150125.3 Ų125.377%0.76978%0.78SS**  trans-105.1142.7166.1-66.2166.1000107.6
365P35.2Very low31Very low111 Ų111125.3 Ų125.372%0.72178%0.78SS**  trans-121.1137.9143.533.3-24.3000112.3
366V30.2Very low31.2Very low115 Ų115122 Ų12270%0.69778%0.777SS**  trans-73.7138.2173.3171.60000109.7T368V366-T368 HydrophobicContact CG1-CG2 4.27Å
367H34.1Very low31.1Very low186 Ų186130 Ų13086%0.86179%0.787SS**  trans-125.3102.7157-100.9-73000111.3
368T28.1Very low31.2Very low123 Ų123130.4 Ų130.476%0.75579%0.791SS**  trans-81.3138155.744.70000109.5V366V366-T368 HydrophobicContact CG1-CG2 4.27Å
369S34.3Very low31.3Very low117 Ų117132 Ų13282%0.81879%0.792SS**  trans-145.1115.1162.359.40000111.2
370T26.2Very low31.5Very low133 Ų133134.3 Ų134.382%0.81680%0.797SS**  trans-114.2164166.638.10000109.6
371C26.8Very low31.8Very low122 Ų122133.4 Ų133.482%0.82479%0.789SS**  trans76.9147174.9-66.60000116.3
372S30.6Very low31.8Very low108 Ų108140.3 Ų140.376%0.75580%0.799SS**  cis-164.8158.6-9.439.90000113.5
373T29.1Very low31.7Very low129 Ų129143 Ų14379%0.79180%0.804SS**  trans-44.1150.4171.450.20000120
374T32.9Very low31.6Very low127 Ų127142 Ų14278%0.77980%0.803SS**  trans-148.1107.8139.226.60000108.6
375T33.9Very low31.3Very low125 Ų125140.4 Ų140.477%0.76780%0.8SS**  63132.4100.457.80000115.3
376S33.3Very low31Very low111 Ų111142.8 Ų142.878%0.77681%0.807SS**  cis-171.5145.44.849.40000113
377R30.5Very low30.9Very low258 Ų258144.7 Ų144.797%0.97481%0.812SS**  trans-158129.8134.2-131176-173.6171.52.7110.5
378S29.7Very low30.8Very low106 Ų106142.5 Ų142.574%0.74181%0.812SS**  trans-115.5156.2-178.954.80000111.1
379I35.2Very low30.7Very low163 Ų163143.6 Ų143.684%0.83681%0.813SS**  -165116.3125.2-93.9150.3000109.7
380N31.8Very low30.5Very low150 Ų150149.2 Ų149.280%0.80282%0.816SS**  trans29.6139.2158.9-65.2-16.1000125.1
381P37.2Very low30.5Very low123 Ų123151.1 Ų151.180%0.79981%0.813SS**  trans-96.6172.117040.5-35.5000113.1
382R30.9Very low30.6Very low247 Ų247151.7 Ų151.793%0.93281%0.808SS**  trans-143.7140.9153-141176.5-161.7176.76114.1
383I28.9Very low30.6Very low161 Ų161157.6 Ų157.683%0.82681%0.814SS**  trans-70.5135.4179.6-64.7150.2000111.3
384S30.7Very low30.5Very low117 Ų117163 Ų16382%0.81882%0.821SS**  trans-157.9141.5130.258.90000112.2
385T26.9Very low30.4Very low117 Ų117164.8 Ų164.872%0.71883%0.826SS**  trans-75.2146.3176.847.10000111.7
386N30.1Very low30.3Very low161 Ų161169.6 Ų169.686%0.86183%0.832SS**  trans-156.9141.5133.2-102.4-33.2000113.1
387L27.6Very low30.1Very low154 Ų154167.9 Ų167.981%0.80683%0.832SS**  trans-66.3152.9163.9-70.570.5000109.1
388V32.4Very low30.3Very low140 Ų140161.3 Ų161.385%0.84883%0.825SS**  179.9145.4118.7147.20000110.7
389N25.8Very low30.3Very low146 Ų146163.4 Ų163.478%0.78183%0.826SS**  trans-55.8140.4177-69-64.1000114.7
390R30.5Very low30.2Very low236 Ų236165.5 Ų165.589%0.89183%0.83SS**  trans-162.2118.9145.6-131.2165.9-179.4172.50.6107.4
391K25.6Very low30.1Very low173 Ų173165 Ų16575%0.75283%0.827SS**  cis52.980.811.1-133.2-164.9-178.3-170.20113.8
392D29.1Very low29.8Very low133 Ų133163.6 Ų163.671%0.71182%0.82SS**  175.3137112.4-81.4-21.8000111.2
393R31.1Very low29.8Very low232 Ų232156 Ų15688%0.87581%0.805SS**  trans-164.389.7140.2-124.1-176.7-70.1-178.2-0.3112.2
394Y27.1Very low29.9Very low244 Ų244156.8 Ų156.896%0.95781%0.805SS**  trans-153.2113.3132.9-83.4-66.8000106.4
395N30.3Very low29.9Very low163 Ų163156.4 Ų156.487%0.87280%0.798SS**  trans-146.4147.8162.8-141.8-1.7000109.8
396Y32.7Very low29.9Very low227 Ų227158.8 Ų158.889%0.8980%0.801SS**  trans-66.6147.7-171.8-95.4-109.8000112.5
397G29.1Very low29.9Very low75 Ų75157.5 Ų157.577%0.77379%0.793SS**  trans-82.4144.2167.100000111.8
398S33.2Very low30.1Very low120 Ų120156.9 Ų156.984%0.83979%0.786SS**  trans-118.4127.3156.356.70000108.3
399I30.7Very low30.1Very low149 Ų149157.3 Ų157.376%0.76478%0.778SS**  trans-72.2135.7-172.5-66.4155000110.8
400F32Very low30.3Very low207 Ų207157.1 Ų157.191%0.90878%0.777SS**  trans-155.1133.7131.8-110.9-74.4000111.9
401N29.4Very low30.4Very low139 Ų139151.6 Ų151.674%0.74377%0.77SS**  trans-63.4161.5167.6-75.9-11.9000111.1
402S31.3Very low30.6Very low94 Ų94150.4 Ų150.466%0.65777%0.772SS**  cis-169.6161.8-8.746.10000110.6
403S30.6Very low30.7Very low89 Ų89148.4 Ų148.462%0.62277%0.768SS**  trans56.3117.7141.860.60000122.6
404H31.1Very low30.7Very low177 Ų177144.9 Ų144.982%0.81977%0.766SS**  trans62.8143.8135.8-70.5-93.7000119
405T30.5Very low30.9Very low109 Ų109138 Ų13867%0.66975%0.754SS**  cis-157160.91.7-4.90000110.8
406E27.6Very low30.9Very low166 Ų166137.6 Ų137.678%0.77675%0.751SS**  trans-0.8139.2158.4-58.5175.7145.600121.6
407L29.7Very low30.6Very low134 Ų134134.8 Ų134.870%0.70275%0.746SS**  173.4129.998.4-111.5101.8000112.7
408H31.7Very low30.5Very low142 Ų142137.3 Ų137.366%0.65775%0.747SS**  trans62.2152.5146.6-67.4-140.4000119.3
409H33.9Very low30.2Very low148 Ų148139.9 Ų139.969%0.68575%0.745SS**  cis-148.8148.6-5-107.8-50.2000110
410N28.7Very low30.2Very low142 Ų142137.1 Ų137.176%0.75974%0.74SS**  -0.1144.8129.9-78.6-7.8000118
411V32.9Very low29.8Very low121 Ų121133.4 Ų133.473%0.73373%0.734SS**  cis-160.8149.349.5171.20000112.7
412N30.2Very low30.2Very low148 Ų148132.1 Ų132.179%0.79173%0.733SS**  trans-4.5158.1146.7-56.7-16.7000120.2
413S31.9Very low30.1Very low90 Ų90133.2 Ų133.263%0.62974%0.735SS**  cis178.6152-547.40000111.5
414N29.9Very low29.9Very low158 Ų158137.5 Ų137.585%0.84575%0.746SS**  trans63.6153.6154-59.3-15.3000117.5
415S31Very low29.7Very low101 Ų101133.8 Ų133.871%0.70674%0.74SS**  cis-163.7158.48.741.30000113.4
416L30.2Very low29.5Very low154 Ų154134.6 Ų134.681%0.80674%0.744SS**  trans55.7113.9150.6-88.181.7000124.1
417Q26.8Very low29.3Very low167 Ų167130.7 Ų130.778%0.7874%0.736SS**  37135.8125-80.1-179.6-24.800125.4
418T27.1Very low29.2Very low128 Ų128133.8 Ų133.879%0.78574%0.739SS**  trans69.4144.2153.852.60000117.7
419Q28.3Very low29Very low174 Ų174132.5 Ų132.581%0.81374%0.737SS**  cis-159.5156.118.2-141168.112.700112.8
420S29.7Very low28.8Very low92 Ų92132.1 Ų132.164%0.64374%0.74SS**  trans47111.7151.355.50000124.7
421T24.3Very low28.8Very low128 Ų128129 Ų12979%0.78573%0.734SS**  24.8162.1110.958.10000122.4
422P37.4Very low28.7Very low112 Ų112129.8 Ų129.873%0.72774%0.739SS**  cis-144.8-167.93.425.23.5000117.5
423V29.4Very low28.6Very low117 Ų117128 Ų12871%0.70973%0.733SS**  trans95.6115.9150.1-172.40000120.4
424E26.3Very low28.3Very low179 Ų179135.2 Ų135.284%0.83675%0.748SS**  trans38.5145.1142.9-68.6173169.300122
425S25.9Very low28.2Very low100 Ų100134.5 Ų134.570%0.69975%0.745SS**  cis-170.5172.64.749.90000112.7
426V26.6Very low28Very low126 Ų126138.6 Ų138.676%0.76475%0.75SS**  trans67.7116.2152.2171.30000120.6
427S23.4Very low28Very low84 Ų84137.5 Ų137.559%0.58775%0.75SS**  trans39.4127134.1-156.70000121.2
428Y27.9Very low28.2Very low198 Ų198138.1 Ų138.178%0.77675%0.75SS**  179.2140.694-101-72.9000113.5
429D27.3Very low28.2Very low116 Ų116139.5 Ų139.562%0.6275%0.749SS**  trans66.7133.8138.7-86.513.1000126.8
430N29.6Very low28.3Very low140 Ų140135.8 Ų135.875%0.74974%0.742SS**  trans72.8142.2138.8-62-28.6000120.4
431A28.3Very low28.1Very low77 Ų77136.3 Ų136.364%0.63675%0.746SS**  cis-169.4177.7-16.900000109.8
432V30.5Very low28.3Very low136 Ų136137.9 Ų137.982%0.82474%0.744SS**  trans73.6130.4160.4-175.90000116.9
433V29.2Very low27.9Very low112 Ų112138.2 Ų138.268%0.67974%0.74SS**  cis-153.6140.3-15.5127.60000108.1
434Y24.8Very low27.8Very low240 Ų240144.2 Ų144.294%0.94175%0.752SS**  trans-156.6111.9141.9-112-75.2000107.7
435N28.1Very low27.7Very low144 Ų144145.1 Ų145.177%0.7775%0.753SS**  trans-122.9101.9-171.1-153.714.3000112
436K27.7Very low27.8Very low186 Ų186149.7 Ų149.781%0.80976%0.76SS**  trans27.3138.5133-109.2173.3-179.5172.20120.3
437T30.3Very low27.9Very low132 Ų132152 Ų15281%0.8177%0.765SS**  trans-135.8127130.7160000111
438K29.7Very low27.9Very low180 Ų180158.2 Ų158.278%0.78378%0.781SS**  trans37.3142.8140.1-68.5-179.8171-179.40120.6
439M28.3Very low27.9Very low156 Ų156153.8 Ų153.877%0.76878%0.779SS**  cis-158.6153.19-130.4161.872.400112.5
440S29.7Very low28.1Very low96 Ų96156.2 Ų156.267%0.67179%0.79SS**  trans36.9108.3136.3-159.30000119.4
441S25.9Very low28.1Very low103 Ų103158.5 Ų158.572%0.7279%0.794SS**  69.2110.376176.10000115.4
442E28.3Very low28Very low161 Ų161162.5 Ų162.575%0.75281%0.805SS**  -165.9154.8110.3-112.4-172.5-163.900115.7
443N28.4Very low28.1Very low120 Ų120165.6 Ų165.664%0.64281%0.812SS**  trans61.878.9153.9-58.9-32.5000122.2
444Y26.9Very low28.1Very low242 Ų242163.8 Ų163.895%0.94982%0.816SS**  trans-124.372.9136.3-122.7-92.2000110.1
445K25.3Very low28.4Very low198 Ų198162.1 Ų162.186%0.86181%0.814SS**  trans-151.958.7-176.7-126.6-177.7-170.5-179.30116
446K28Very low28.3Very low197 Ų197160.4 Ų160.486%0.85781%0.813SS**  trans-160.8134152.6-101.6170.9179.3175.10104.3
447M28.1Very low28.9Very low173 Ų173156.5 Ų156.585%0.85281%0.807SS**  cis-152.1110.229-167.389.514100110
448K23.2Very low28.8Very low216 Ų216157.9 Ų157.994%0.93981%0.808SS**  trans-154.380.7162.8-155.2172.4-170.8175.40112.5
449S28.6Very low28.8Very low105 Ų105155.1 Ų155.173%0.73481%0.807SS**  trans-162.799.1155.9-172.60000111.2
450I31.7Very low28.9Very low166 Ų166152.8 Ų152.885%0.85181%0.806SS**SBend-126.4101.7122.6-65.2-171.1000107
451K29.6Very low28.7Very low189 Ų189153.6 Ų153.682%0.82281%0.811SS**  trans33.7118.9152.4-65.6-177.7176.4179.70121
452N25.4Very low28.8Very low161 Ų161153 Ų15386%0.86181%0.807SS**  trans-62.9146.4144.9-70.5-36.5000112.1
453M32.8Very low28.8Very low200 Ų200152.3 Ų152.399%0.98581%0.809SS**  trans177.8135.1139.1-102175.8165.100106.9
454G30.1Very low28.8Very low74 Ų74152.5 Ų152.576%0.76381%0.814SS**  cis-171.2149.2-7.400000110.9
455K29.4Very low28.8Very low205 Ų205146.5 Ų146.589%0.89180%0.803SS**  trans-32160.7153.5-67.1174.3178-177.50114.7
456S27.5Very low28.9Very low108 Ų108146.2 Ų146.276%0.75580%0.801SS**  cis-175.2-155.5-10.460.50000108.6
457P39.5Very low28.9Very low104 Ų104142.5 Ų142.568%0.67580%0.795SS**  trans-130.2-154.9-134.639.4-14.6000116.6
458L27.9Very low28.8Very low161 Ų161139.3 Ų139.384%0.84379%0.79SS**  trans80.5145.9179.1-62.1114.5000115.3
459T30.5Very low29Very low123 Ų123133.7 Ų133.776%0.75578%0.778SS**  cis-120.8-169.97.364.80000110.5
460S30.1Very low29Very low106 Ų106135.7 Ų135.774%0.74178%0.78SS**  cis-160.3169.8-4.712.10000110
461S24.8Very low28.7Very low113 Ų113133 Ų13379%0.7978%0.776SS**  trans-85.4168165.654.40000111.3
462S29.2Very low28.7Very low91 Ų91131.5 Ų131.564%0.63678%0.776SS**  cis-174.9159.138.954.50000114.6
463N27.4Very low28.7Very low147 Ų147131.6 Ų131.679%0.78678%0.777SS**  trans81.2119.1141.4-70.8-7.4000124.8
464V28.5Very low28.5Very low124 Ų124128.6 Ų128.675%0.75276%0.763SS**  97.2100.3122169.20000121.7
465V26.5Very low28.5Very low116 Ų116132.5 Ų132.570%0.70377%0.766SS**  93.2135.9129.9167.70000122.9
466K27.9Very low28.1Very low191 Ų191134.1 Ų134.183%0.8377%0.766SS**  trans73.2135.3170.8-77.7165.5-175.3-1800116.1
467T27.5Very low28.3Very low120 Ų120134.4 Ų134.474%0.73677%0.766SS**  cis-156.6161.53.222.40000112.1
468S26.5Very low27.6Very low105 Ų105134.1 Ų134.173%0.73477%0.766SS**  trans69.3146.2146.6560000124.4
469S28.6Very low27.6Very low99 Ų99134.9 Ų134.969%0.69277%0.765SS**  trans72.1112.915352.20000122.5
470D28.3Very low27.6Very low147 Ų147135.5 Ų135.579%0.78677%0.769SS**  68.7123.9127.9-58.6-28.3000124.7
471S25.1Very low27.3Very low109 Ų109133.9 Ų133.976%0.76277%0.769SS**  trans55.9116.4141.964.30000120.1
472L29Very low27.5Very low158 Ų158136.7 Ų136.783%0.82777%0.773SS**  trans-144.1108.4150.9-129.6116.6000112.4I474L472-I474 HydrophobicContact CD2-CB 4.4Å
473N25Very low27.3Very low163 Ų163140.4 Ų140.487%0.87278%0.78SS**  trans-111.4123.1154.1-112.3-13.4000105.5
474I29.6Very low27.4Very low136 Ų136142.1 Ų142.170%0.69778%0.783SS**  trans-177.1137.3173.2-97145.5000103.8L472L472-I474 HydrophobicContact CD2-CB 4.4Å
475L29.7Very low27.2Very low156 Ų156144.4 Ų144.482%0.81779%0.785SS**  cis-127.3144.339.5-8588000115.5
476R22.2Very low27.3Very low239 Ų239147 Ų14790%0.90279%0.793SS**  trans-132.9130.7144.3-168.1-171.4-155.4174.26.7105.6
477P30.7Very low27.2Very low115 Ų115145.1 Ų145.175%0.74779%0.792SS**  trans-101.8146.6175.534.8-29.2000112.1
478S24Very low27Very low98 Ų98144.7 Ų144.769%0.68579%0.794SS**  trans-150.8166.4172.858.10000111.7
479H29.3Very low26.9Very low177 Ų177146.5 Ų146.582%0.81980%0.795SS**  trans83.9140.4-177.4-57.6-80.6000115.5
480T29.5Very low26.7Very low136 Ų136147.1 Ų147.183%0.83480%0.796SS**  cis-132.2162.310.642.10000113.2
481G24.6Very low26.7Very low71 Ų71148.9 Ų148.973%0.73280%0.8SS**  trans-81.2-179.5-167.500000118.8
482I29.4Very low26.6Very low172 Ų172150.4 Ų150.488%0.88280%0.799SS**  trans-154.7149.7150-97.8154.9000106.9
483H24.3Very low26.3Very low170 Ų170153.4 Ų153.479%0.78780%0.801SS**  trans-64.5144.6-177.8-81.7-125000113.6
484H29.4Very low26.4Very low183 Ų183153.5 Ų153.585%0.84780%0.796SS**  -164.1149.8117.4-104.2-73.6000111.1
485Q24Very low26Very low171 Ų171152.8 Ų152.880%0.79980%0.803SS**  trans-78.4143.7-173-63.2149.2-67.200112.8
486I28.9Very low25.8Very low170 Ų170151.1 Ų151.187%0.87279%0.794SS**  trans-159148.3137.4-96.8146.7000107.4
487L26Very low25.8Very low152 Ų152145.3 Ų145.380%0.79679%0.79SS**  trans-62133.8-161.7-82.165.1000114.8
488S22.5Very low25.6Very low112 Ų112147.3 Ų147.378%0.78379%0.794SS**  trans-92.413914948.30000109.7
489L25Very low25.4Very low143 Ų143150 Ų15075%0.74980%0.8SS**  trans-120.6105.2176.5-116.7158.8000108.7
490P25.3Very low25.4Very low112 Ų112149.3 Ų149.373%0.72780%0.803SS**  trans-96.1130.6170.234.2-27.3000109.8
491Q27.7Very low25.1Very low183 Ų183147.9 Ų147.986%0.85580%0.799SS**  trans-135.992.6166.8-75-161.8-49.300111.6
492D21.8Very low25.2Very low142 Ų142152.6 Ų152.676%0.75980%0.803SS**  trans-65.7154.5149.1-80.1-53.7000110.7
493Y24Very low25.1Very low220 Ų220152.4 Ų152.486%0.86380%0.799SS**  trans52.9114.5167.3-74-85.5000118.7
494Q26.6Very low25.1Very low165 Ų165154.3 Ų154.377%0.77180%0.801SS**  -179.613299.4-97.6179.80.500113.1
495S21.5Very low24.9Very low121 Ų121152.2 Ų152.285%0.84680%0.796SS**  trans-83.3116.1158.752.90000109.8
496I25.5Very low25Very low122 Ų122151.9 Ų151.963%0.62680%0.799SS**  trans-133.1117.1163.8-64-177.7000108.7L498I496-L498 HydrophobicContact CG2-CD1 4.34Å
497S21.1Very low24.7Very low117 Ų117152 Ų15282%0.81880%0.795SS**  trans-77.2135.5164.947.80000109.8
498L26.4Very low24.7Very low157 Ų157154.7 Ų154.782%0.82280%0.801SS**  trans-144.393.1170-112.7163.1000109.7I496I496-L498 HydrophobicContact CG2-CD1 4.34Å
499N21.5Very low24.7Very low153 Ų153159.5 Ų159.582%0.81880%0.802SS**  trans-85125.9157.6-93.4-8.2000108
500N28.4Very low24.7Very low164 Ų164157.2 Ų157.288%0.87780%0.798SS**  -165153.6127.6-101.3-16.5000112
501S23.1Very low24.7Very low106 Ų106157.3 Ų157.374%0.74180%0.796SS**  trans-106.6135.3-16053.90000114.6
502M27.7Very low24.6Very low169 Ų169155 Ų15583%0.83379%0.789SS**  trans-172.9142.4149-110.3170.9157.200106.4
503E26.8Very low24.9Very low169 Ų169155.5 Ų155.579%0.7979%0.786SS**  cis-153.9166.34.9-161.3165.6-153.900109.3
504Y24.6Very low25.2Very low209 Ų209151.7 Ų151.782%0.8278%0.776SS**  trans-91.6154.2-173.9-111.4-95.4000113.7
505N23.7Very low25.4Very low139 Ų139149.3 Ų149.374%0.74377%0.773SS**  trans68.6110.6159.5-61.6-41000119.6
506L27.4Very low25.9Very low165 Ų165149.9 Ų149.986%0.86477%0.774SS**  -161.6144.4117-107.2153.7000112.5
507H22.7Very low26.1Very low171 Ų171150.9 Ų150.979%0.79278%0.78SS**  trans-38.6143.6178.3-74.1-92.2000116.5
508F25.4Very low26.6Very low209 Ų209151.9 Ų151.992%0.91778%0.781SS**  -151.5159119.5-136.2-101000114.1
509R23.1Very low26.6Very low213 Ų213153 Ų15380%0.80478%0.782SS**  trans-115.8138.3-175.4178.8-178.7179.9169.40.3109.6
510S23.8Very low27Very low95 Ų95153.7 Ų153.766%0.66478%0.783SS**  trans67.8150.9161.455.10000121.2
511T26Very low26.9Very low114 Ų114155.3 Ų155.370%0.69979%0.786SS**  trans79.8100.9154.741.80000122.2
512I25.5Very low27.2Very low135 Ų135153.4 Ų153.469%0.69278%0.783SS**  74.3149.6118.3-66.8171.5000119.3
513H28Very low27.3Very low153 Ų153150.5 Ų150.571%0.70878%0.779SS**  trans81.3140.9170.9-69.5-33.7000117.4
514Q30.1Very low27.4Very low139 Ų139151.7 Ų151.765%0.6578%0.784SS**  cis-160.9152.9-16.9-138158.8-6.500110.7
515T30.4Very low27.5Very low116 Ų116144.6 Ų144.671%0.71278%0.775SS**SBendtrans-71.7150159.945.90000110.8L517T515-L517 PolarHBondContact O-N 3.29Å
516P33Very low27.6Very low133 Ų133148.9 Ų148.986%0.86478%0.781SS**  trans-67.3128.3-179.628.3-34.2000111.3
517L28.9Very low27.4Very low143 Ų143149.8 Ų149.875%0.74978%0.779SS**  trans-104.7130.3179.3-132.3158.8000108.1T515T515-L517 PolarHBondContact O-N 3.29Å
518V31.9Very low27.4Very low138 Ų138146 Ų14684%0.83677%0.771SS**  trans-80.6134.5170.5174.20000109.3
519E27.4Very low27.3Very low180 Ų180140.5 Ų140.584%0.84176%0.758SS**  trans-71.9116.9-169.4177178.8-141.500114
520I28.2Very low27.4Very low167 Ų167135.6 Ų135.686%0.85675%0.752SS**  trans-145.6119.2148.2-55.8-176.6000107.9
521Q26.4Very low27.6Very low198 Ų198137.4 Ų137.493%0.92576%0.755SS**  trans-144.1135.7173.7-166.7168.7-200112
522G29.5Very low27.7Very low67 Ų67139 Ų13969%0.69176%0.759SS**  trans109.8131.5-177.900000112.4
523S30.1Very low27.9Very low107 Ų107140 Ų14075%0.74876%0.76SS**  cis-161.4154.1-2.948.90000110.9
524H29.9Very low28Very low194 Ų194140.5 Ų140.590%0.89877%0.768SS**  trans18.6146.8157.6-63.1-87.7000122.6
525G26.2Very low28Very low61 Ų61139.1 Ų139.163%0.62977%0.766SS**  136.218.4110.300000125.1
526W25.4Very low28Very low229 Ų229144.7 Ų144.787%0.86778%0.775SS**  trans65.3156.2155.9-73.759.9000122
527F24.2Very low27.8Very low184 Ų184142.7 Ų142.781%0.80776%0.757SS**  trans93.3144.3152.5-89.4-68.1000123.3
528S22Very low28Very low90 Ų90143.4 Ų143.463%0.62976%0.762SS**  trans-54.3157173.6178.70000115.7
529S22.3Very low28Very low94 Ų94143.1 Ų143.166%0.65775%0.749SS**  trans50.6139.3145.755.90000120
530T25.5Very low28.3Very low110 Ų110141.4 Ų141.468%0.67575%0.746SS**  cis-162.8-162.4-9.226.60000105.1
531D27.7Very low28.5Very low133 Ų133139.6 Ų139.671%0.71174%0.738SS**  trans77.2159.9160.3-32-21.6000115.4
532D29.5Very low28.9Very low147 Ų147136.8 Ų136.879%0.78673%0.734SS**  cis-167.2163.6-49.1-93.2-21.5000106.3
533E28.3Very low29.1Very low156 Ų156137.4 Ų137.473%0.72973%0.733SS**  cis-147.5179.21.4-142.4-167.913400108.9
534D30.8Very low29.1Very low164 Ų164138.1 Ų138.188%0.87774%0.738SS**  trans175.284.8139.1-95.2-12.6000112.9
535D30Very low29Very low111 Ų111133 Ų13359%0.59474%0.738SS**  trans38.9119.7137.4-151.61.7000122.2D537D535-D537 PolarHBondContact OD1-N 2.97Å
536Y30.4Very low29.2Very low232 Ų232133.9 Ų133.991%0.9175%0.746SS**  -156.7107.8118.7-117.4-69.9000112.5
537D29.7Very low29.3Very low91 Ų91128.6 Ų128.649%0.48775%0.745SS.*  trans-63.3141.1179.7-168.115.4000115.5D535 K539D535-D537 PolarHBondContact OD1-N 2.97Å; D537-K539 IonicContact OD1-NZ 3.92Å; D537-K539 IonicContact OD2-NZ 2.63Å; D537-K539 PolarHBondContact OD2-NZ 2.93Å
538N31.6Very low29.4Very low158 Ų158124.6 Ų124.685%0.84574%0.738SS**  -159.9150.4130-137.7-28.5000114.9
539K33.1Very low29.7Very low132 Ų132128.2 Ų128.257%0.57475%0.75SS**  trans-106.1162.6-155.8-66169.1168.1100.30114.7D537D537-K539 IonicContact OD1-NZ 3.92Å; D537-K539 IonicContact OD2-NZ 2.63Å; D537-K539 PolarHBondContact OD2-NZ 2.93Å
540N33.4Very low30.1Very low144 Ų144127.5 Ų127.577%0.7776%0.758SS**  -170.1108.3119.8-93.3-38.8000113.1
541N33.2Very low30.4Very low130 Ų130126.4 Ų126.470%0.69576%0.761SS**  54.3140.3123.8-56.7-26.1000120.3
542V34.3Very low30.6Very low138 Ų138126.6 Ų126.684%0.83676%0.761SS**  cis-148.8135.735.8172.10000114.2
543A33Very low30.7Very low81 Ų81126.1 Ų126.167%0.66976%0.759SS**  trans17125.5148.700000125.8
544S30.7Very low30.8Very low122 Ų122128.4 Ų128.485%0.85377%0.766SS**  61.4108.7115-50.80000124.4
545G28.5Very low30.8Very low86 Ų86128.2 Ų128.289%0.88776%0.764SS**  79.5125.8104.500000122.3
546G29.6Very low30.5Very low79 Ų79131.9 Ų131.981%0.81478%0.777SS**  trans127.485140.100000121.2
547S27.7Very low30.5Very low119 Ų119125.8 Ų125.883%0.83277%0.768SS**  trans77.6148.5138.9-142.90000124.2
548C25.6Very low30.5Very low100 Ų100132.6 Ų132.668%0.67679%0.787SS**  trans79.2106.7157.1-71.70000123.2
549N29.5Very low30.3Very low165 Ų165133.4 Ų133.488%0.88278%0.783SS**  trans70.7124.2135-61.2-15.2000121.7
550G31Very low30.1Very low80 Ų80133.5 Ų133.583%0.82579%0.786SS**  trans171.384.3168.300000113.8
551A31.6Very low29.8Very low87 Ų87134.5 Ų134.572%0.71978%0.783SS**  trans-61.7161.8-166.500000118.9
552N30.8Very low29.6Very low136 Ų136135.2 Ų135.273%0.72779%0.787SS**  trans93.1111.3144-71.2-20.8000122.3
553N31.6Very low29.3Very low137 Ų137140.3 Ų140.373%0.73379%0.793SS**  trans71137.7135.9-57.4-32.1000118.2
554K32.1Very low29Very low205 Ų205145.3 Ų145.389%0.89180%0.8SS**  cis-146.8156.121.7-139.7169.1-174.4177.30111.6
555I29.2Very low28.8Very low160 Ų160144.6 Ų144.682%0.82180%0.795SS**  trans-80.3140.9-166.5-66.7159.5000113.1
556Q25Very low28.8Very low188 Ų188145 Ų14588%0.87979%0.785SS**  trans-143.2119.3155.4-165.6160.60.600112.4
557S30.5Very low28.8Very low103 Ų103148.3 Ų148.372%0.7278%0.783SS**  trans-176.9149.6175.2-95.80000107.9
558R28.7Very low28.9Very low235 Ų235149.7 Ų149.789%0.88778%0.781SS**  cis-160.2175.8-7.5-166.9167.6178.4167.5-1.3107.8
559K26.8Very low29Very low175 Ų175153.3 Ų153.376%0.76179%0.787SS**  trans-54169.4167.4-52.9171.7174.1177.20111.6
560E29.1Very low29.4Very low134 Ų134149.9 Ų149.963%0.62677%0.774SS**  cis-172.9159.230.3-148.6161.2152.600114.5
561K28.4Very low29.3Very low164 Ų164151.6 Ų151.671%0.71377%0.769SS**  trans36.2123.6151.3-75164.6-170.3154.50125
562N27.5Very low29.2Very low146 Ų146153.6 Ų153.678%0.78177%0.767SS**  27.7130.1128.3-56.72.2000122.9
563Y28.6Very low29Very low244 Ų244153.5 Ų153.596%0.95777%0.765SS**  -156.5173.2128.3-111.6-76.6000111.5
564F27Very low29Very low186 Ų186153.4 Ų153.482%0.81677%0.77SS**  trans-106.9157.4-159.6-130.8-98.8000114.1
565S27.1Very low28.6Very low107 Ų107149.5 Ų149.575%0.74876%0.764SS**  trans62.2148161.448.60000118.7
566S27.3Very low28.6Very low96 Ų96147.9 Ų147.967%0.67176%0.761SS**  cis-170.8176.3-2.348.40000111.2
567L29.3Very low29Very low147 Ų147144.9 Ų144.977%0.7776%0.761SS**  trans67.9144.8173.1-77.763.9000115.6
568N30Very low29.1Very low148 Ų148145.7 Ų145.779%0.79176%0.757SS**  cis-153.2166.2-2.1-117.8-16.3000113.2
569H29.2Very low29Very low176 Ų176142.8 Ų142.882%0.81575%0.751SS**  trans-75-171.7-177.9-115.6-25.4000114.6
570P37.2Very low29.2Very low93 Ų93142.5 Ų142.560%0.60476%0.756SS**  cis-144.1179.1-730.1-5.7000118.4
571T28.9Very low29.2Very low116 Ų116143.8 Ų143.871%0.71276%0.762SS**  trans64.2150.6149.247.70000120.4
572N29.3Very low29Very low129 Ų129142.1 Ų142.169%0.6976%0.759SS**  cis-155.61448.1-123.8-5.5000113.7
573I27.3Very low29.3Very low134 Ų134140.5 Ų140.569%0.68776%0.757SS**  trans24.3120139.6-48.2161.9000120
574T30Very low29.2Very low136 Ų136134.2 Ų134.283%0.83474%0.744SS**  -173.4146.7112.519.40000114.9
575T25.3Very low29.3Very low123 Ų123133.5 Ų133.576%0.75574%0.743SS**  trans-56.5149172.748.20000116.2
576V28.5Very low29.4Very low126 Ų126133.5 Ų133.576%0.76474%0.742SS**  164.2126118.1156.70000109.6
577S33.6Very low29.4Very low125 Ų125134.3 Ų134.387%0.87474%0.744SS**  trans-157.4121.6145.9-80.50000109.4
578D31.1Very low29.2Very low119 Ų119137.5 Ų137.564%0.63675%0.747SS**  trans-74.8154.6-179.2-106.6-56.2000112.9
579K28.4Very low29.1Very low174 Ų174135 Ų13576%0.75774%0.741SS**  trans51.2132.9144.9-63158.8-172.6153.20117.9
580I30.1Very low29Very low170 Ų170132.8 Ų132.887%0.87274%0.74SS**  cis-143.5147.743.2-69.9169.3000110.7
581Q28.7Very low28.7Very low161 Ų161137.9 Ų137.975%0.75276%0.758SS**  trans-113136.9175.5-90-175.1-48.700111.8
582I25.5Very low28.7Very low129 Ų129140.3 Ų140.366%0.66277%0.765SS**  66.8141.8128-61.7173.9000116.7
583P32.2Very low28.7Very low112 Ų112137.7 Ų137.773%0.72777%0.768SS**  cis-138.9139.239215.9000121
584T26.7Very low28.8Very low112 Ų112140.7 Ų140.769%0.68778%0.78SS**  13.3141.3126.260.80000125.1
585H28.8Very low28.8Very low171 Ų171142.9 Ų142.979%0.79278%0.78SS**  117141.1126.6-103.6-68.1000121.8
586S30.4Very low28.9Very low106 Ų106143.8 Ų143.874%0.74178%0.779SS**  trans70.1109.3179.466.60000115.2
587T26Very low29.1Very low113 Ų113143.3 Ų143.369%0.69378%0.779SS**  cis89.6124.839.8-39.70000114.4
588Y26.3Very low28.8Very low214 Ų214144.6 Ų144.684%0.83978%0.776SS**  trans104.6121.5164.8-76.9-73.7000121.2
589S27.6Very low28.8Very low95 Ų95145.7 Ų145.766%0.66479%0.787SS**  trans93107.7141.4-60.90000121.8
590T27.9Very low28.8Very low131 Ų131141.8 Ų141.880%0.80478%0.782SS**  trans51111.3137.251.90000120.4
591M29.3Very low28.8Very low199 Ų199142.3 Ų142.398%0.9878%0.78SS**  trans-95.4115.2148.7-75.9-159.1-169.900111.2
592I28.6Very low28.8Very low168 Ų168143 Ų14386%0.86278%0.784SS**  trans-115.8143.1148.8-72.4175.6000105.7
593G29.5Very low28.7Very low73 Ų73143 Ų14375%0.75380%0.795SS**  trans90.8106.9164.400000114.6
594Q31Very low28.6Very low198 Ų198143.7 Ų143.793%0.92580%0.797SS**  trans-117.895.6156.1-165.4171.910.200107
595E28.5Very low28.5Very low182 Ų182144.5 Ų144.585%0.8580%0.802SS**  trans-82.8147.5174.8-80.1-170.2138.700112.1
596I27.6Very low28.6Very low141 Ų141143 Ų14372%0.72380%0.804SS**  trans-43.9128.7162.8-59.9148.9000111.8
597P33.1Very low28.5Very low117 Ų117145.7 Ų145.776%0.7681%0.805SS**  trans-88.9105.4156.618.3-3.5000109.6T599P597-T599 PolarHBondContact O-N 3.39Å
598N28.6Very low28.7Very low152 Ų152144.8 Ų144.881%0.81380%0.803SS**  trans-65.3124.2165.6-81.6-34.1000109.4
599T31.1Very low28.7Very low141 Ų141141.3 Ų141.387%0.86580%0.799SS**  trans-114.8117.5158.5-51.70000107.8P597P597-T599 PolarHBondContact O-N 3.39Å
600S28Very low28.8Very low93 Ų93145 Ų14565%0.6581%0.811SS**  trans-96.6156.3-17557.80000112.6
601Q28.9Very low28.8Very low180 Ų180143.8 Ų143.884%0.84180%0.804SS**  trans75.294.6165.1-52.9178.4-3.200117.2
602Q29.1Very low28.9Very low176 Ų176141.4 Ų141.482%0.82280%0.801SS**  -178.2118.497.7-97.4-179.8-12.300110.5
603S24.4Very low28.9Very low130 Ų130139.1 Ų139.191%0.90979%0.794SS**  trans-109.690.3172.3-55.70000109
604T30.4Very low29Very low126 Ų126142.8 Ų142.877%0.77380%0.795SS**  trans-87.7128175.323.30000111.7
605V24.7Very low29Very low128 Ų128139.9 Ų139.978%0.77679%0.791SS**  trans-71.3130.5172.21740000110.1
606V30.1Very low28.9Very low139 Ų139134.7 Ų134.784%0.84279%0.786SS**  trans-139.4131.2152.5-179.10000109.3
607H27.4Very low29.1Very low164 Ų164137 Ų13776%0.75979%0.793SS**  trans-106.1172.4177.6-128.7-76.3000110.7
608S30.3Very low28.8Very low93 Ų93139.4 Ų139.465%0.6580%0.795SS**  trans78105.3153.954.90000120.9
609N27.3Very low29.1Very low141 Ų141140.2 Ų140.275%0.75480%0.797SS**  61.8127.8119-56.4-0.2000121.3
610N29Very low29Very low173 Ų173140.3 Ų140.393%0.92579%0.792SS**  -143143.6117.2-114.6-20.6000111.4
611T27.5Very low29.1Very low106 Ų106141.7 Ų141.765%0.6580%0.802SS**  trans-129.4127.2-173.7-43.40000109.3V613T611-V613 HydrophobicContact CG2-CG2 4.44Å
612T31.6Very low29.1Very low148 Ų148140.4 Ų140.491%0.90880%0.801SS**  trans-142.4147.9159.735.40000110.1
613V28.7Very low29.1Very low120 Ų120139.4 Ų139.473%0.72780%0.801SS**  trans-119174-159.8-175.50000109.7T611T611-V613 HydrophobicContact CG2-CG2 4.44Å
614I31.3Very low29.3Very low150 Ų150142.9 Ų142.977%0.76980%0.8SS**  trans80.9126.8168.8-46.9175.3000112.1
615T31.2Very low29.2Very low138 Ų138144.5 Ų144.585%0.84780%0.804SS**  cis-143.3147.6-0.215.20000106.5
616G26.5Very low29.5Very low72 Ų72149.3 Ų149.374%0.74281%0.808SS**  103.785.359.600000111.1
617H32.2Very low29.4Very low189 Ų189149.5 Ų149.588%0.87580%0.804SS**  trans-156.6141150.2-136-0.7000111.5
618E25.9Very low29.5Very low169 Ų169150.1 Ų150.179%0.7981%0.813SS**  trans-83.4136-176.1-60.8159.5113.200111.3
619I34.8Very low29.5Very low169 Ų169156.6 Ų156.687%0.86782%0.824SS**  trans-132.9116.2153.6-60.6-176.5000108.1S621I619-S621 PolarHBondContact O-N 3.46Å
620N29.6Very low29.7Very low142 Ų142155.7 Ų155.776%0.75983%0.825SS**  trans-63.6121.2-177.4-84.2-51.5000112.5N622N620-N622 PolarHBondContact O-N 2.97Å
621S30.5Very low29.9Very low123 Ų123155.3 Ų155.386%0.8682%0.823SS**  trans-87.273.2166.563.90000111.2I619I619-S621 PolarHBondContact O-N 3.46Å
622N27.8Very low30.1Very low152 Ų152155 Ų15581%0.81383%0.826SS**  trans-108.279.5172.1-110.8-11.1000110N620N620-N622 PolarHBondContact O-N 2.97Å
623D29.7Very low30.1Very low156 Ų156155.3 Ų155.383%0.83483%0.827SS**  trans-14872.4167-139.5-12.5000112.4
624K29.1Very low30Very low203 Ų203153.9 Ų153.988%0.88382%0.822SS**  trans-134.171.8165.4-86.6-171.5177.3175.20109.7
625N27.5Very low30.2Very low159 Ų159152 Ų15285%0.8582%0.823SS**  trans-156.693.7159.4-105.2-26.6000111.2
626R30.7Very low30.2Very low230 Ų230152.9 Ų152.987%0.86882%0.82SS**  trans-139.898.1166.2-147171.2-170.4175.33.1111.5
627N29Very low30.4Very low142 Ų142153.4 Ų153.476%0.75982%0.817SS**  trans61.198.1153-56.5-9.5000118.8
628D30.2Very low30.5Very low177 Ų177152.1 Ų152.195%0.94782%0.816SS**  trans-125.5117.2130.2-100.8-35.3000107.8
629R30.3Very low30.7Very low230 Ų230149.9 Ų149.987%0.86881%0.814SS**  trans-125.8131.7176-151.6174.9-170.4161.82.4106.5
630P31Very low30.7Very low122 Ų122147.2 Ų147.279%0.79280%0.802SS**  trans-73.3137.5-170.429-34.7000111.5S632P630-S632 PolarHBondContact O-N 3.33Å; P630-S632 VanDerWaalsContact O-N 3.1Å
631D32.6Very low30.8Very low164 Ų164147.1 Ų147.188%0.87780%0.801SS**  trans-60110.8-179.3-68.3-41.1000112
632S31.6Very low31Very low101 Ų101149.4 Ų149.471%0.70680%0.798SS**  trans-77.2123.1163.352.50000109.7P630 S634P630-S632 PolarHBondContact O-N 3.33Å; P630-S632 VanDerWaalsContact O-N 3.1Å; S632-S634 PolarHBondContact O-N 3.11Å; S632-S634 VanDerWaalsContact O-N 3.14Å
633V31.8Very low31.2Very low154 Ų154146.9 Ų146.993%0.93379%0.789SS**  trans-71105.5177.9179.10000110.2
634S27.7Very low31.3Very low89 Ų89146.1 Ų146.162%0.62278%0.784SS**  trans-151.5140.3168.356.30000112.7S632S632-S634 PolarHBondContact O-N 3.11Å; S632-S634 VanDerWaalsContact O-N 3.14Å
635S34Very low31.6Very low112 Ų112141.5 Ų141.578%0.78377%0.773SS**  trans56.7107.2171.251.20000118.1A637S635-A637 PolarHBondContact O-N 2.89Å
636I31.3Very low31.7Very low156 Ų156141.5 Ų141.580%0.877%0.773SS**  trans-70.3106.8160.5-64.2166.7000107.9L638I636-L638 HydrophobicContact CG2-CD2 4.37Å; I636-L638 HydrophobicContact CG2-CG 4.08Å
637A31.4Very low31.8Very low82 Ų82133.9 Ų133.968%0.67876%0.755SS**  trans-103.2114.2166.500000109.1S635 T639S635-A637 PolarHBondContact O-N 2.89Å; A637-T639 PolarHBondContact O-N 3.08Å; A637-T639 VanDerWaalsContact O-N 3.16Å
638L33Very low31.9Very low163 Ų163135.8 Ų135.885%0.85376%0.759SS**  trans-86.171.5-179-73.3166.9000111.1I636I636-L638 HydrophobicContact CG2-CD2 4.37Å; I636-L638 HydrophobicContact CG2-CG 4.08Å
639T30.3Very low32Very low121 Ų121136.4 Ų136.474%0.74275%0.754SS**  trans-142.464.3174.342.10000111.6A637 D641A637-T639 PolarHBondContact O-N 3.08Å; A637-T639 VanDerWaalsContact O-N 3.16Å; T639-D641 PolarHBondContact O-N 3.5Å; T639-D641 VanDerWaalsContact O-N 3.13Å
640D35.7Very low32.4Very low113 Ų113130.7 Ų130.760%0.60474%0.74SS**  trans-85.657.4166.9-133.89000109.1Q642 R674D640-Q642 VanDerWaalsContact C-N 3.28Å; D640-R674 IonicContact OD1-NH2 2.72Å; D640-R674 PolarHBondContact OD1-NH2 3.4Å; D640-R674 IonicContact OD2-CZ 3.52Å; D640-R674 IonicContact OD2-NE 2.7Å; D640-R674 IonicContact OD2-NH2 3.14Å; D640-R674 PolarHBondContact OD2-NH2 3.46Å
641D32.2Very low32.6Very low140 Ų140127.8 Ų127.875%0.74972%0.72SS**  trans-100.242.5166.4-15612.2000109.9T639 T643T639-D641 PolarHBondContact O-N 3.5Å; T639-D641 VanDerWaalsContact O-N 3.13Å; D641-T643 PolarHBondContact O-N 3.01Å
642Q34.1Very low33.1Very low171 Ų171126.5 Ų126.580%0.79972%0.719SS**  trans-91.482.8158.5-79.3-167.5-1900108.3D640D640-Q642 VanDerWaalsContact C-N 3.28Å
643T31.8Very low33.9Very low100 Ų100123.6 Ų123.661%0.61369%0.692SS**  trans-24.3135.3161.147.20000114.2D641 V645D641-T643 PolarHBondContact O-N 3.01Å; T643-V645 PolarHBondContact O-N 3.33Å; T643-V645 WeakPolarHBondContact OG1-CG2 3.48Å
644D32.9Very low34.5Very low139 Ų139125.1 Ų125.174%0.74369%0.687SS**  trans-67.344.3178.8-99.7-44.2000113.7N646 S647D644-N646 PolarHBondContact O-N 2.88Å; D644-N646 VanDerWaalsContact O-N 3.14Å; D644-S647 VanDerWaalsContact O-CB 3.29Å; D644-S647 WeakPolarHBondContact O-CB 3.38Å; D644-S647 PolarHBondContact O-N 3.35Å; D644-S647 PolarHBondContact O-OG 2.64Å
645V34.1Very low35.6Very low106 Ų106123.8 Ų123.864%0.64267%0.671SS**THydrogen-bonded Turntrans-66.7-14.4-178.4-178.90000112.5T643T643-V645 PolarHBondContact O-N 3.33Å; T643-V645 WeakPolarHBondContact OG1-CG2 3.48Å
646N29.7Very low36.6Very low160 Ų160123.1 Ų123.186%0.85666%0.659SS**THydrogen-bonded Turntrans-99.717172.4-70.8-23.3000113.6D644 E648D644-N646 PolarHBondContact O-N 2.88Å; D644-N646 VanDerWaalsContact O-N 3.14Å; N646-E648 VanDerWaalsContact C-N 3.31Å
647S33.8Very low38Very low69 Ų69120.8 Ų120.848%0.48365%0.652SS.*  trans-81.3-6.7172.8640000114D644 F649D644-S647 VanDerWaalsContact O-CB 3.29Å; D644-S647 WeakPolarHBondContact O-CB 3.38Å; D644-S647 PolarHBondContact O-N 3.35Å; D644-S647 PolarHBondContact O-OG 2.64Å; S647-F649 PolarHBondContact O-N 2.84Å
648E30.5Very low39.8Very low182 Ų182121.5 Ų121.585%0.8564%0.644SS**THydrogen-bonded Turntrans-73.216.7179.1-151.2176.6-177.300114.4N646N646-E648 VanDerWaalsContact C-N 3.31Å
649F33.1Very low41.8Very low190 Ų190114.2 Ų114.283%0.83361%0.606SS**THydrogen-bonded Turntrans-138.553.9170.9-123.3-88.9000111.8S647 P651S647-F649 PolarHBondContact O-N 2.84Å; F649-P651 WeakPolarHBondContact O-CD 3.34Å
650I37.8Very low44.4Very low111 Ų111111.9 Ų111.957%0.56958%0.584SS**  trans-73.7105.6153.4-58.4175.1000106T652 Y653I650-T652 PolarHBondContact O-N 2.77Å; I650-Y653 HydrophobicContact CG2-CE2 4.16Å
651P36.1Very low46.7Very low60 Ų60106.5 Ų106.539%0.3956%0.555SS.*  trans-63.7118174.627.6-33.6000107.6F649 Y653F649-P651 WeakPolarHBondContact O-CD 3.34Å; P651-Y653 WeakPolarHBondContact O-CD2 3.4Å; P651-Y653 PolarHBondContact O-N 2.9Å
652T41.5Very low49Very low137 Ų137101.6 Ų101.684%0.8453%0.532SS*.  trans-51.3107.6177.5-38.90000108.3I650 K654I650-T652 PolarHBondContact O-N 2.77Å; T652-K654 PolarHBondContact O-N 3.09Å
653Y48.8Very low51.2Low40 Ų4095.6 Ų95.616%0.15751%0.505CS..  trans-65.8119.3-173.7-66.4-90.7000107.5I650 P651 M655 D663 K666 Q884I650-Y653 HydrophobicContact CG2-CE2 4.16Å; P651-Y653 WeakPolarHBondContact O-CD2 3.4Å; P651-Y653 PolarHBondContact O-N 2.9Å; Y653-M655 PolarHBondContact O-N 2.76Å; Y653-D663 WeakPolarHBondContact CE1-O 3.37Å; Y653-K666 HydrophobicContact CE1-CD 4.09Å; Y653-Q884 VanDerWaalsContact CD2-OE1 3.3Å
654K43.8Very low53.6Low186 Ų18691 Ų9181%0.80948%0.477SS*.  trans-67.394169.3-150.4175.9-172.4-178.80105.6T652 N656T652-K654 PolarHBondContact O-N 3.09Å; K654-N656 VanDerWaalsContact C-N 3.29Å; K654-N656 PolarHBondContact O-N 2.77Å
655M52.5Low55.9Low62 Ų6285.6 Ų85.631%0.30545%0.45SS..  trans-66.288.4-172.5-83.3-156.2118.200110Y653 M882 Y911Y653-M655 PolarHBondContact O-N 2.76Å; M655-M882 HydrophobicContact CE-CG 4.36Å; M655-M882 HydrophobicContact CE-SD 3.57Å; M655-M882 VanDerWaalsContact CE-SD 3.57Å; M655-Y911 WeakPolarHBondContact CB-OH 3.49Å; M655-Y911 HydrophobicContact CE-CE2 3.81Å; M655-Y911 HydrophobicContact SD-CE2 4.07Å
656N53.7Low58.1Low98 Ų9886.2 Ų86.252%0.52444%0.444SS..  trans-68.3151.4171-66.6-26.7000109.2K654 L658 Y911K654-N656 VanDerWaalsContact C-N 3.29Å; K654-N656 PolarHBondContact O-N 2.77Å; N656-L658 WeakPolarHBondContact CB-O 3.35Å; N656-L658 PolarHBondContact O-N 3.28Å; N656-Y911 PolarHBondContact O-OH 2.91Å
657V61.6Low60.5Low106 Ų10684.2 Ų84.264%0.64243%0.427SS*.SBendtrans-63-28.4-179.5-179.30000111.6Y911V657-Y911 WeakPolarHBondContact O-CE1 3.3Å
658L68Low62.8Low97 Ų9791 Ų9151%0.50844%0.442SS..SBendtrans-111133.1165.4-65.898.2000109.7N656 F1056N656-L658 WeakPolarHBondContact CB-O 3.35Å; N656-L658 PolarHBondContact O-N 3.28Å; L658-F1056 HydrophobicContact CB-CE1 4.46Å; L658-F1056 HydrophobicContact CD2-CD1 4.03Å; L658-F1056 HydrophobicContact CD2-CE1 3.42Å; L658-F1056 VanDerWaalsContact CD2-CE1 3.42Å; L658-F1056 HydrophobicContact CD2-CZ 4.2Å
659L76.8Confident65.3Low11 Ų1184.4 Ų84.46%0.05841%0.41CS..  trans-122.8136.1-179.4-157.881.3000109.4D663 L664 M882 V1057L659-D663 HydrophobicContact CD1-CB 4.23Å; L659-D663 HydrophobicContact CG-CB 4.31Å; L659-L664 HydrophobicContact CD2-CD1 3.62Å; L659-L664 HydrophobicContact CD2-CG 3.98Å; L659-M882 HydrophobicContact CD2-CE 3.58Å; L659-M882 HydrophobicContact CD2-SD 3.68Å; L659-V1057 HydrophobicContact CB-CB 4.46Å; L659-V1057 HydrophobicContact CD2-CB 4.45Å; L659-V1057 PolarHBondContact O-N 2.65Å
660Y83.8Confident67.7Low72 Ų7277.4 Ų77.428%0.28239%0.392SS..BIsolated β-bridgetrans-110.2156.9-178.1-64.8-83.2000112S662 D663 N1053 I1055 F1056 V1057Y660-S662 PolarHBondContact O-N 3.44Å; Y660-S662 VanDerWaalsContact O-N 3.15Å; Y660-D663 PolarHBondContact N-OD2 2.93Å; Y660-D663 WeakPolarHBondContact O-CB 3.48Å; Y660-D663 PolarHBondContact O-N 2.73Å; Y660-N1053 WeakPolarHBondContact CD1-O 3.36Å; Y660-N1053 WeakPolarHBondContact CE1-O 3.41Å; Y660-I1055 CarbonylContact C-O 3.58Å; Y660-I1055 VanDerWaalsContact CA-O 3.32Å; Y660-I1055 WeakPolarHBondContact CA-O 3.24Å; Y660-F1056 HydrophobicContact CD1-CD1 4.03Å; Y660-F1056 HydrophobicContact CD1-CE1 4.13Å; Y660-F1056 AromaticContact CE1-CD1 3.59Å; Y660-F1056 HydrophobicContact CE1-CD1 3.59Å; Y660-F1056 AromaticContact CE1-CE1 3.23Å; Y660-F1056 HydrophobicContact CE1-CE1 3.23Å; Y660-F1056 HydrophobicContact CE1-CG 4.37Å; Y660-F1056 AromaticContact CE1-CZ 3.77Å; Y660-F1056 HydrophobicContact CE1-CZ 3.77Å; Y660-F1056 AromaticContact CZ-CE1 3.5Å; Y660-F1056 VanDerWaalsContact CZ-CE1 3.5Å; Y660-F1056 WeakPolarHBondContact OH-CE1 3.45Å; Y660-V1057 VanDerWaalsContact C-CG2 3.48Å
661V84.2Confident70Confident0 Ų076.5 Ų76.50%039%0.391CS..THydrogen-bonded Turntrans-60.6-27.2179.2173.10000111.4D663 L664 S665 R1052 I1055 V1057V661-D663 PolarHBondContact O-N 2.86Å; V661-L664 CarbonylContact O-C 3.55Å; V661-L664 PolarHBondContact O-N 3Å; V661-S665 VanDerWaalsContact O-CB 3.31Å; V661-S665 WeakPolarHBondContact O-CB 3.44Å; V661-S665 PolarHBondContact O-N 2.94Å; V661-S665 VanDerWaalsContact O-N 3.09Å; V661-S665 PolarHBondContact O-OG 3.09Å; V661-R1052 HydrophobicContact CG1-CG 4.27Å; V661-R1052 PolarHBondContact N-O 3Å; V661-I1055 HydrophobicContact CB-CB 4.21Å; V661-I1055 HydrophobicContact CB-CG2 4.36Å; V661-I1055 HydrophobicContact CG2-CB 3.93Å; V661-I1055 HydrophobicContact CG2-CG2 3.57Å; V661-I1055 PolarHBondContact N-O 3.03Å; V661-V1057 HydrophobicContact CB-CG2 4.4Å; V661-V1057 HydrophobicContact CG2-CG2 3.75Å
662S81.4Confident72.4Confident37 Ų3774.2 Ų74.226%0.25938%0.375SS..THydrogen-bonded Turntrans-60.2-32.3171.750.30000113.6Y660 L664 R1052 N1053Y660-S662 PolarHBondContact O-N 3.44Å; Y660-S662 VanDerWaalsContact O-N 3.15Å; S662-L664 VanDerWaalsContact C-N 3.34Å; S662-R1052 PolarHBondContact N-O 3.38Å; S662-N1053 WeakPolarHBondContact OG-CA 3.43Å
663D80.1Confident74.6Confident44 Ų4469 Ų6924%0.23534%0.343CS..THydrogen-bonded Turntrans-71.8-34.1-179.6-56.8-44000110.7Y653 L659 Y660 V661 K666Y653-D663 WeakPolarHBondContact CE1-O 3.37Å; L659-D663 HydrophobicContact CD1-CB 4.23Å; L659-D663 HydrophobicContact CG-CB 4.31Å; Y660-D663 PolarHBondContact N-OD2 2.93Å; Y660-D663 WeakPolarHBondContact O-CB 3.48Å; Y660-D663 PolarHBondContact O-N 2.73Å; V661-D663 PolarHBondContact O-N 2.86Å; D663-K666 WeakPolarHBondContact O-CE 3.35Å
664L80.9Confident76.5Confident5 Ų574 Ų743%0.02636%0.361CS..THydrogen-bonded Turntrans-102.718.3-179.3-69.5175.5000114.3L659 V661 S662 P829 D830 V831 M882 V1057L659-L664 HydrophobicContact CD2-CD1 3.62Å; L659-L664 HydrophobicContact CD2-CG 3.98Å; V661-L664 CarbonylContact O-C 3.55Å; V661-L664 PolarHBondContact O-N 3Å; S662-L664 VanDerWaalsContact C-N 3.34Å; L664-P829 WeakPolarHBondContact O-CG 3.47Å; L664-D830 WeakPolarHBondContact O-CB 3.38Å; L664-D830 PolarHBondContact O-N 3.14Å; L664-V831 HydrophobicContact CD2-CG2 3.85Å; L664-M882 HydrophobicContact CD1-CE 3.82Å; L664-M882 HydrophobicContact CD1-SD 4.47Å; L664-V1057 HydrophobicContact CD1-CG1 3.92Å; L664-V1057 HydrophobicContact CD1-CG2 4.24Å
665S82.7Confident78.8Confident25 Ų2568.2 Ų68.218%0.17534%0.336CS..  trans-125.645.4175.386.60000112.5V661 R1052V661-S665 VanDerWaalsContact O-CB 3.31Å; V661-S665 WeakPolarHBondContact O-CB 3.44Å; V661-S665 PolarHBondContact O-N 2.94Å; V661-S665 VanDerWaalsContact O-N 3.09Å; V661-S665 PolarHBondContact O-OG 3.09Å; S665-R1052 WeakPolarHBondContact OG-CD 3.48Å; S665-R1052 PolarHBondContact OG-NH1 2.95Å
666K79.6Confident80.6Confident118 Ų11865.2 Ų65.251%0.51332%0.321SS..  trans-89.8-24.9-177.7-66.1177.4-177.41720112.6Y653 D663 D830Y653-K666 HydrophobicContact CE1-CD 4.09Å; D663-K666 WeakPolarHBondContact O-CE 3.35Å; K666-D830 PolarHBondContact N-OD2 3.2Å
667K80.3Confident82.5Confident119 Ų11963.3 Ų63.352%0.51731%0.311SS..SBendtrans-69.3146.5178.9-64.3174.4-178.2174.40111.6Y669 D830K667-Y669 PolarHBondContact O-N 3.47Å; K667-D830 WeakPolarHBondContact CB-OD1 3.45Å; K667-D830 HydrophobicContact CD-CB 3.92Å; K667-D830 HydrophobicContact CG-CB 4.27Å; K667-D830 PolarHBondContact N-OD1 2.96Å; K667-D830 PolarHBondContact N-OD2 3.43Å; K667-D830 PolarHBondContact NZ-O 2.95Å
668R82.1Confident84.1Confident210 Ų21060.5 Ų60.579%0.79229%0.292SS*.  trans-63.9125.7179.6-169.2177.4-176.4-175.20.3110.4G670 T671 L672R668-G670 PolarHBondContact O-N 2.89Å; R668-T671 PolarHBondContact O-N 3.32Å; R668-T671 VanDerWaalsContact O-N 3.13Å; R668-L672 PolarHBondContact O-N 3.07Å
669Y83.3Confident85.4Confident45 Ų4555.9 Ų55.918%0.17627%0.268CS..Hα-helixtrans-47.4-40.8-178.7177.4-79.8000113.8K667 L672 N673 Q774 H775K667-Y669 PolarHBondContact O-N 3.47Å; Y669-L672 PolarHBondContact O-N 3.36Å; Y669-N673 HydrophobicContact CD1-CB 4.31Å; Y669-N673 HydrophobicContact CE1-CB 3.98Å; Y669-N673 WeakPolarHBondContact O-CB 3.08Å; Y669-N673 PolarHBondContact O-N 3.12Å; Y669-Q774 WeakPolarHBondContact CE2-O 3.37Å; Y669-Q774 PolarHBondContact OH-O 3.34Å; Y669-H775 AromaticContact CD2-CE1 3.42Å; Y669-H775 VanDerWaalsContact CD2-CE1 3.42Å; Y669-H775 WeakPolarHBondContact CD2-CE1 3.22Å; Y669-H775 AromaticContact CE2-CE1 3.49Å; Y669-H775 VanDerWaalsContact CE2-CE1 3.49Å; Y669-H775 WeakPolarHBondContact CE2-CE1 3.45Å; Y669-H775 AromaticContact CE2-ND1 3.81Å; Y669-H775 AromaticContact CG-CE1 3.94Å
670G83.6Confident86.3Confident43 Ų4357.3 Ų57.344%0.44327%0.274SS..Hα-helixtrans-62.1-48.9-177.900000112.9R668 L672 N673 R674R668-G670 PolarHBondContact O-N 2.89Å; G670-L672 PolarHBondContact O-N 3.42Å; G670-N673 PolarHBondContact O-N 3.25Å; G670-R674 PolarHBondContact O-N 2.88Å
671T85.4Confident86.9Confident91 Ų9160.2 Ų60.256%0.55828%0.284SS*.Hα-helixtrans-59.7-46.7176.6-46.50000111R668 N673 R674 K675R668-T671 PolarHBondContact O-N 3.32Å; R668-T671 VanDerWaalsContact O-N 3.13Å; T671-N673 PolarHBondContact O-N 3.44Å; T671-R674 PolarHBondContact O-N 2.9Å; T671-K675 PolarHBondContact O-N 3.19Å
672L85.8Confident87.4Confident12 Ų1263 Ų636%0.06330%0.295CS..Hα-helixtrans-67.3-37.3-179.2-171.956.4000112.1R668 Y669 G670 K675 Y676 H775 P829R668-L672 PolarHBondContact O-N 3.07Å; Y669-L672 PolarHBondContact O-N 3.36Å; G670-L672 PolarHBondContact O-N 3.42Å; L672-K675 PolarHBondContact O-N 3.1Å; L672-Y676 HydrophobicContact CD1-CD2 4.01Å; L672-Y676 HydrophobicContact CD1-CE2 3.37Å; L672-Y676 HydrophobicContact CD2-CE2 4.05Å; L672-Y676 HydrophobicContact CG-CD2 3.9Å; L672-Y676 HydrophobicContact CG-CE2 3.44Å; L672-Y676 VanDerWaalsContact CG-CE2 3.44Å; L672-Y676 WeakPolarHBondContact O-CD2 3.24Å; L672-Y676 PolarHBondContact O-N 3.23Å; L672-H775 WeakPolarHBondContact CD2-NE2 3.35Å; L672-P829 HydrophobicContact CD2-CB 4.32Å; L672-P829 WeakPolarHBondContact CD2-O 3.31Å
673N88Confident88.1Confident29 Ų2961.3 Ų61.316%0.15528%0.283CS..Hα-helixtrans-65.7-38.7173.7-16975000112.4Y669 G670 T671 Y676 L677Y669-N673 HydrophobicContact CD1-CB 4.31Å; Y669-N673 HydrophobicContact CE1-CB 3.98Å; Y669-N673 WeakPolarHBondContact O-CB 3.08Å; Y669-N673 PolarHBondContact O-N 3.12Å; G670-N673 PolarHBondContact O-N 3.25Å; T671-N673 PolarHBondContact O-N 3.44Å; N673-Y676 PolarHBondContact O-N 3.39Å; N673-L677 WeakPolarHBondContact O-CB 3.37Å; N673-L677 PolarHBondContact O-N 3.41Å
674R89.5Confident88.9Confident144 Ų14461.5 Ų61.554%0.54328%0.283SS..Hα-helixtrans-60.5-48.6172.9-168.9171.191.9-162.89.4110.4D640 G670 T671 Y676 L677 L678D640-R674 IonicContact OD1-NH2 2.72Å; D640-R674 PolarHBondContact OD1-NH2 3.4Å; D640-R674 IonicContact OD2-CZ 3.52Å; D640-R674 IonicContact OD2-NE 2.7Å; D640-R674 IonicContact OD2-NH2 3.14Å; D640-R674 PolarHBondContact OD2-NH2 3.46Å; G670-R674 PolarHBondContact O-N 2.88Å; T671-R674 PolarHBondContact O-N 2.9Å; R674-Y676 VanDerWaalsContact C-N 3.34Å; R674-Y676 PolarHBondContact O-N 3.08Å; R674-L677 PolarHBondContact O-N 3.06Å; R674-L677 VanDerWaalsContact O-N 3.15Å; R674-L678 PolarHBondContact O-N 3.48Å
675K90.6Very high89.6Confident64 Ų6465.4 Ų65.428%0.27830%0.304SS..Hα-helixtrans-56.7-43.1176.7-173.5-180175.9-175.50112.6T671 L672 L678 N832 A833T671-K675 PolarHBondContact O-N 3.19Å; L672-K675 PolarHBondContact O-N 3.1Å; K675-L678 PolarHBondContact O-N 2.82Å; K675-N832 PolarHBondContact NZ-O 3.4Å; K675-A833 WeakPolarHBondContact CE-O 3.43Å
676Y90.9Very high90.2Very high0 Ų066.9 Ų66.90%031%0.309CS..Hα-helixtrans-73.6-26.6178.1-71.5-51.7000114.2L672 N673 R674 L678 Y679 H775 G777 Q825 P829 N832L672-Y676 HydrophobicContact CD1-CD2 4.01Å; L672-Y676 HydrophobicContact CD1-CE2 3.37Å; L672-Y676 HydrophobicContact CD2-CE2 4.05Å; L672-Y676 HydrophobicContact CG-CD2 3.9Å; L672-Y676 HydrophobicContact CG-CE2 3.44Å; L672-Y676 VanDerWaalsContact CG-CE2 3.44Å; L672-Y676 WeakPolarHBondContact O-CD2 3.24Å; L672-Y676 PolarHBondContact O-N 3.23Å; N673-Y676 PolarHBondContact O-N 3.39Å; R674-Y676 VanDerWaalsContact C-N 3.34Å; R674-Y676 PolarHBondContact O-N 3.08Å; Y676-L678 VanDerWaalsContact C-N 3.3Å; Y676-Y679 HydrophobicContact CD1-CD2 4.41Å; Y676-Y679 HydrophobicContact CD1-CE2 4.3Å; Y676-Y679 PolarHBondContact O-N 2.95Å; Y676-H775 HydrophobicContact CD2-CB 3.48Å; Y676-H775 VanDerWaalsContact CD2-CB 3.48Å; Y676-H775 AromaticContact CD2-CD2 3.87Å; Y676-H775 AromaticContact CD2-CG 3.55Å; Y676-H775 HydrophobicContact CE2-CB 4.14Å; Y676-H775 AromaticContact CE2-CD2 3.79Å; Y676-H775 AromaticContact CE2-CG 3.97Å; Y676-H775 HydrophobicContact CG-CB 4.18Å; Y676-G777 CarbonylContact O-C 3.45Å; Y676-G777 WeakPolarHBondContact O-CA 3.37Å; Y676-Q825 HydrophobicContact CE1-CG 3.8Å; Y676-Q825 HydrophobicContact CE2-CG 4.08Å; Y676-Q825 VanDerWaalsContact CZ-CG 3.49Å; Y676-Q825 WeakPolarHBondContact OH-CG 3.4Å; Y676-P829 PolarHBondContact OH-O 3.39Å; Y676-N832 HydrophobicContact CE1-CB 4.17Å; Y676-N832 WeakPolarHBondContact CE1-ND2 3.28Å; Y676-N832 VanDerWaalsContact OH-CB 3.25Å; Y676-N832 WeakPolarHBondContact OH-CB 3.34Å; Y676-N832 PolarHBondContact OH-ND2 3.27Å
677L93.5Very high90.9Very high57 Ų5761.7 Ų61.730%0.29829%0.288SS..Hα-helixtrans-72.1-24.6176.3-162.369.5000112.5N673 R674 Y679 F680 W681N673-L677 WeakPolarHBondContact O-CB 3.37Å; N673-L677 PolarHBondContact O-N 3.41Å; R674-L677 PolarHBondContact O-N 3.06Å; R674-L677 VanDerWaalsContact O-N 3.15Å; L677-Y679 PolarHBondContact O-N 3.48Å; L677-F680 PolarHBondContact O-N 2.87Å; L677-F680 VanDerWaalsContact O-N 3.16Å; L677-W681 PolarHBondContact O-N 3.38Å
678L95.1Very high91.6Very high48 Ų4860.2 Ų60.225%0.25129%0.285SS..Hα-helixtrans-59.6-31.8174.2-67173.5000112.8R674 K675 Y676 F680 W681 Y682 A835R674-L678 PolarHBondContact O-N 3.48Å; K675-L678 PolarHBondContact O-N 2.82Å; Y676-L678 VanDerWaalsContact C-N 3.3Å; L678-F680 VanDerWaalsContact C-N 3.3Å; L678-F680 PolarHBondContact O-N 3.38Å; L678-W681 PolarHBondContact O-N 3.29Å; L678-Y682 HydrophobicContact CB-CE2 4.19Å; L678-Y682 HydrophobicContact CD2-CE1 4.28Å; L678-Y682 WeakPolarHBondContact O-CB 3.19Å; L678-Y682 PolarHBondContact O-N 3.5Å; L678-A835 HydrophobicContact CB-CB 3.97Å
679Y95.7Very high92.2Very high0 Ų057.8 Ų57.80%028%0.28CS..Hα-helixtrans-57.9-43.8175.1-79.5-92.3000111.8Y676 L677 L683 L778 L818 L821 A833 S834 A835 A838 Y839Y676-Y679 HydrophobicContact CD1-CD2 4.41Å; Y676-Y679 HydrophobicContact CD1-CE2 4.3Å; Y676-Y679 PolarHBondContact O-N 2.95Å; L677-Y679 PolarHBondContact O-N 3.48Å; Y679-L683 WeakPolarHBondContact O-CB 3.03Å; Y679-L683 PolarHBondContact O-N 2.93Å; Y679-L683 VanDerWaalsContact O-N 3.1Å; Y679-L778 HydrophobicContact CD1-CD1 3.85Å; Y679-L778 HydrophobicContact CD2-CD1 4.37Å; Y679-L778 HydrophobicContact CE1-CD1 4.32Å; Y679-L778 HydrophobicContact CG-CD1 3.87Å; Y679-L818 HydrophobicContact CD1-CD2 4.05Å; Y679-L821 HydrophobicContact CE1-CD1 3.95Å; Y679-A833 PolarHBondContact OH-O 2.9Å; Y679-S834 PolarHBondContact OH-O 2.72Å; Y679-A835 HydrophobicContact CD1-CB 4.15Å; Y679-A835 HydrophobicContact CD2-CB 3.75Å; Y679-A835 HydrophobicContact CE1-CB 4.26Å; Y679-A835 HydrophobicContact CE2-CB 3.87Å; Y679-A835 HydrophobicContact CG-CB 3.9Å; Y679-A838 HydrophobicContact CE1-CB 3.77Å; Y679-Y839 AromaticContact CD1-CE2 3.97Å; Y679-Y839 HydrophobicContact CD1-CE2 3.97Å; Y679-Y839 PolarHBondContact O-OH 3.17Å
680F96Very high92.7Very high41 Ų4158.7 Ų58.718%0.1828%0.283CS..Hα-helixtrans-67.7-47.3177.8174.5-108.3000111.9L677 L678 Y682 L683 I684 Y780 A781 L784L677-F680 PolarHBondContact O-N 2.87Å; L677-F680 VanDerWaalsContact O-N 3.16Å; L678-F680 VanDerWaalsContact C-N 3.3Å; L678-F680 PolarHBondContact O-N 3.38Å; F680-Y682 PolarHBondContact O-N 3.19Å; F680-L683 PolarHBondContact O-N 2.56Å; F680-I684 HydrophobicContact CD1-CD1 4.15Å; F680-I684 HydrophobicContact CE1-CD1 3.65Å; F680-I684 HydrophobicContact CE2-CD1 4.35Å; F680-I684 HydrophobicContact CZ-CD1 3.78Å; F680-I684 PolarHBondContact O-N 2.96Å; F680-I684 VanDerWaalsContact O-N 3.08Å; F680-Y780 WeakPolarHBondContact CD2-O 3.37Å; F680-A781 HydrophobicContact CB-CB 4.46Å; F680-L784 HydrophobicContact CD2-CB 4.2Å; F680-L784 HydrophobicContact CD2-CD2 3.94Å; F680-L784 HydrophobicContact CE2-CB 4.02Å; F680-L784 HydrophobicContact CE2-CD2 3.85Å; F680-L784 HydrophobicContact CE2-CG 4.48Å
681W95.9Very high93.1Very high132 Ų13256.9 Ų56.950%0.527%0.265SS..Hα-helixtrans-64.7-40.6-179.6-74.1115.5000113.3L677 L678 I684 I685L677-W681 PolarHBondContact O-N 3.38Å; L678-W681 PolarHBondContact O-N 3.29Å; W681-I684 HydrophobicContact CE3-CD1 3.81Å; W681-I684 HydrophobicContact CZ3-CD1 3.97Å; W681-I684 PolarHBondContact O-N 3.07Å; W681-I685 WeakPolarHBondContact O-CG1 3.29Å; W681-I685 PolarHBondContact O-N 2.9Å
682Y95.7Very high93.4Very high60 Ų6058.1 Ų58.124%0.23527%0.268CS..Hα-helixtrans-69.2-34.9176.1-65.7-12.2000111.9L678 F680 I684 I685 I686 A835 H836 Y839L678-Y682 HydrophobicContact CB-CE2 4.19Å; L678-Y682 HydrophobicContact CD2-CE1 4.28Å; L678-Y682 WeakPolarHBondContact O-CB 3.19Å; L678-Y682 PolarHBondContact O-N 3.5Å; F680-Y682 PolarHBondContact O-N 3.19Å; Y682-I684 VanDerWaalsContact C-N 3.33Å; Y682-I684 PolarHBondContact O-N 3.35Å; Y682-I685 HydrophobicContact CD1-CD1 4.3Å; Y682-I685 PolarHBondContact O-N 2.03Å; Y682-I686 VanDerWaalsContact O-CG1 3.28Å; Y682-I686 WeakPolarHBondContact O-CG1 3.49Å; Y682-I686 PolarHBondContact O-N 3.44Å; Y682-A835 HydrophobicContact CD2-CB 3.75Å; Y682-A835 HydrophobicContact CE2-CB 4.01Å; Y682-H836 AromaticContact CE2-CE1 3.57Å; Y682-H836 AromaticContact CE2-ND1 3.68Å; Y682-H836 AromaticContact CE2-NE2 3.88Å; Y682-H836 AromaticContact CZ-CE1 3.6Å; Y682-H836 PolarHBondContact OH-CE1 2.93Å; Y682-H836 PolarHBondContact OH-NE2 3.32Å; Y682-Y839 HydrophobicContact CD2-CD2 4.41Å
683L96.1Very high93.8Very high0 Ų061 Ų610%029%0.287CS..Hα-helixtrans-64.5-35.9173.4-170.162.8000112.4Y679 F680 S687 A781 L784 A785 Y811 I814 L818Y679-L683 WeakPolarHBondContact O-CB 3.03Å; Y679-L683 PolarHBondContact O-N 2.93Å; Y679-L683 VanDerWaalsContact O-N 3.1Å; F680-L683 PolarHBondContact O-N 2.56Å; L683-S687 VanDerWaalsContact O-CB 3.25Å; L683-S687 WeakPolarHBondContact O-CB 3.47Å; L683-S687 PolarHBondContact O-N 3.22Å; L683-S687 PolarHBondContact O-OG 3.36Å; L683-A781 HydrophobicContact CD2-CB 4.49Å; L683-A781 VanDerWaalsContact CD2-O 3.23Å; L683-A781 WeakPolarHBondContact CD2-O 3.43Å; L683-L784 HydrophobicContact CB-CD2 4.11Å; L683-L784 HydrophobicContact CD2-CB 4.13Å; L683-L784 HydrophobicContact CD2-CD2 4.08Å; L683-L784 HydrophobicContact CD2-CG 4.05Å; L683-L784 HydrophobicContact CG-CD2 4.03Å; L683-L784 HydrophobicContact CG-CG 4.33Å; L683-A785 HydrophobicContact CD2-CB 3.8Å; L683-Y811 HydrophobicContact CD1-CE1 4.08Å; L683-I814 HydrophobicContact CD1-CG2 4.04Å; L683-L818 HydrophobicContact CD2-CD1 4.27Å
684I96.5Very high94Very high48 Ų4859.7 Ų59.725%0.24628%0.281CS..Hα-helixtrans-59-48.1171.4-67.1171000110.6F680 W681 Y682 S687 I688 L784F680-I684 HydrophobicContact CD1-CD1 4.15Å; F680-I684 HydrophobicContact CE1-CD1 3.65Å; F680-I684 HydrophobicContact CE2-CD1 4.35Å; F680-I684 HydrophobicContact CZ-CD1 3.78Å; F680-I684 PolarHBondContact O-N 2.96Å; F680-I684 VanDerWaalsContact O-N 3.08Å; W681-I684 HydrophobicContact CE3-CD1 3.81Å; W681-I684 HydrophobicContact CZ3-CD1 3.97Å; W681-I684 PolarHBondContact O-N 3.07Å; Y682-I684 VanDerWaalsContact C-N 3.33Å; Y682-I684 PolarHBondContact O-N 3.35Å; I684-S687 WeakPolarHBondContact O-CB 3.43Å; I684-S687 PolarHBondContact O-N 3.3Å; I684-I688 HydrophobicContact CG2-CD1 3.93Å; I684-I688 WeakPolarHBondContact O-CG1 3.42Å; I684-I688 PolarHBondContact O-N 3.05Å; I684-L784 HydrophobicContact CB-CD2 4.42Å; I684-L784 HydrophobicContact CD1-CD2 4.46Å; I684-L784 HydrophobicContact CG1-CD2 3.43Å; I684-L784 VanDerWaalsContact CG1-CD2 3.43Å
685I95.8Very high94.1Very high88 Ų8855.4 Ų55.445%0.45127%0.27SS..Hα-helixtrans-61.5-50.2-179.6-64.5169.8000110.4W681 Y682 S687 I688 F689W681-I685 WeakPolarHBondContact O-CG1 3.29Å; W681-I685 PolarHBondContact O-N 2.9Å; Y682-I685 HydrophobicContact CD1-CD1 4.3Å; Y682-I685 PolarHBondContact O-N 2.03Å; I685-S687 PolarHBondContact O-N 2.96Å; I685-I688 PolarHBondContact O-N 3.11Å; I685-F689 HydrophobicContact CG2-CD2 3.79Å; I685-F689 HydrophobicContact CG2-CE2 3.98Å; I685-F689 WeakPolarHBondContact O-CD2 3.14Å; I685-F689 PolarHBondContact O-N 3.38Å; I685-F689 VanDerWaalsContact O-N 3.09Å
686I94.5Very high94.2Very high55 Ų5559 Ų5928%0.28229%0.288SS..Hα-helixtrans-54.5-44.4175.4-68.1164.1000110.3Y682 I688 F689 Y690 Y839Y682-I686 VanDerWaalsContact O-CG1 3.28Å; Y682-I686 WeakPolarHBondContact O-CG1 3.49Å; Y682-I686 PolarHBondContact O-N 3.44Å; I686-I688 VanDerWaalsContact C-N 3.35Å; I686-I688 PolarHBondContact O-N 2.95Å; I686-F689 PolarHBondContact O-N 3.09Å; I686-Y690 WeakPolarHBondContact O-CB 3.23Å; I686-Y690 PolarHBondContact O-N 2.89Å; I686-Y839 HydrophobicContact CD1-CD1 3.92Å; I686-Y839 HydrophobicContact CD1-CD2 4.21Å; I686-Y839 HydrophobicContact CD1-CE1 4.32Å; I686-Y839 HydrophobicContact CD1-CG 3.89Å
687S95.3Very high94.2Very high10 Ų1062.4 Ų62.47%0.0731%0.306CS..Hα-helixtrans-64-35.3-178.7-57.10000113.9L683 I684 I685 G691 M788 Y811L683-S687 VanDerWaalsContact O-CB 3.25Å; L683-S687 WeakPolarHBondContact O-CB 3.47Å; L683-S687 PolarHBondContact O-N 3.22Å; L683-S687 PolarHBondContact O-OG 3.36Å; I684-S687 WeakPolarHBondContact O-CB 3.43Å; I684-S687 PolarHBondContact O-N 3.3Å; I685-S687 PolarHBondContact O-N 2.96Å; S687-G691 WeakPolarHBondContact O-CA 3.42Å; S687-G691 PolarHBondContact O-N 3.35Å; S687-M788 WeakPolarHBondContact OG-CG 3.28Å; S687-Y811 WeakPolarHBondContact CA-OH 3.35Å; S687-Y811 VanDerWaalsContact CB-OH 3.3Å; S687-Y811 WeakPolarHBondContact CB-OH 3Å; S687-Y811 PolarHBondContact OG-OH 3.27Å
688I95.3Very high94.1Very high88 Ų8859.7 Ų59.745%0.45129%0.292SS..Hα-helixtrans-71.8-50.7176.2-66.7166.2000110.2I684 I685 I686 L692I684-I688 HydrophobicContact CG2-CD1 3.93Å; I684-I688 WeakPolarHBondContact O-CG1 3.42Å; I684-I688 PolarHBondContact O-N 3.05Å; I685-I688 PolarHBondContact O-N 3.11Å; I686-I688 VanDerWaalsContact C-N 3.35Å; I686-I688 PolarHBondContact O-N 2.95Å; I688-L692 HydrophobicContact CG2-CD1 3.76Å; I688-L692 WeakPolarHBondContact O-CB 3.41Å; I688-L692 WeakPolarHBondContact O-CG 3.08Å; I688-L692 PolarHBondContact O-N 3.46Å; I688-L692 VanDerWaalsContact O-N 3.14Å
689F94.5Very high93.9Very high159 Ų15961.5 Ų61.570%0.69730%0.3SS*.Hα-helixtrans-72.2-28.6-175.7-78.8-77000114I685 I686 P693I685-F689 HydrophobicContact CG2-CD2 3.79Å; I685-F689 HydrophobicContact CG2-CE2 3.98Å; I685-F689 WeakPolarHBondContact O-CD2 3.14Å; I685-F689 PolarHBondContact O-N 3.38Å; I685-F689 VanDerWaalsContact O-N 3.09Å; I686-F689 PolarHBondContact O-N 3.09Å; F689-P693 WeakPolarHBondContact O-CD 3.49Å; F689-P693 WeakPolarHBondContact O-CG 3.37Å
690Y92.6Very high93.6Very high63 Ų6365.3 Ų65.325%0.24732%0.323CS..Hα-helixtrans-85.2-43.5174.4-172.2-101.6000112.2I686 P693 A694 M792 Q806 F807 A810 Y811I686-Y690 WeakPolarHBondContact O-CB 3.23Å; I686-Y690 PolarHBondContact O-N 2.89Å; Y690-P693 WeakPolarHBondContact O-CD 3.49Å; Y690-A694 PolarHBondContact O-N 2.95Å; Y690-M792 HydrophobicContact CD1-SD 4.01Å; Y690-M792 HydrophobicContact CE1-SD 4.18Å; Y690-Q806 WeakPolarHBondContact OH-CB 3.28Å; Y690-Q806 PolarHBondContact OH-O 2.96Å; Y690-F807 WeakPolarHBondContact OH-CA 3.34Å; Y690-F807 PolarHBondContact OH-N 3.15Å; Y690-A810 HydrophobicContact CE1-CB 4.31Å; Y690-Y811 AromaticContact CD1-CE2 3.89Å; Y690-Y811 HydrophobicContact CD1-CE2 3.89Å; Y690-Y811 HydrophobicContact CE1-CE2 4.25Å
691G92.5Very high93.4Very high6 Ų666 Ų666%0.06233%0.325CS..Hα-helixtrans-72.1-37.1-173.900000114.3S687 A694 V695S687-G691 WeakPolarHBondContact O-CA 3.42Å; S687-G691 PolarHBondContact O-N 3.35Å; G691-A694 PolarHBondContact O-N 3.36Å; G691-V695 WeakPolarHBondContact O-CB 3.38Å; G691-V695 VanDerWaalsContact O-CG2 3.29Å; G691-V695 WeakPolarHBondContact O-CG2 3.27Å; G691-V695 PolarHBondContact O-N 2.91Å
692L92.2Very high93Very high116 Ų11660 Ų6061%0.60730%0.302SS*.Hα-helixtrans-63.5-48.8-179.1-72.6172.9000112.9I688 A694 V695 Q696I688-L692 HydrophobicContact CG2-CD1 3.76Å; I688-L692 WeakPolarHBondContact O-CB 3.41Å; I688-L692 WeakPolarHBondContact O-CG 3.08Å; I688-L692 PolarHBondContact O-N 3.46Å; I688-L692 VanDerWaalsContact O-N 3.14Å; L692-A694 PolarHBondContact O-N 3.17Å; L692-V695 PolarHBondContact O-N 3.02Å; L692-Q696 PolarHBondContact O-N 3.44Å
693P93.2Very high92.7Very high73 Ų7362.7 Ų62.747%0.47432%0.315SS..Hα-helixtrans-63-38174.1-24.135.4000113.3F689 Y690 Q696 L697F689-P693 WeakPolarHBondContact O-CD 3.49Å; F689-P693 WeakPolarHBondContact O-CG 3.37Å; Y690-P693 WeakPolarHBondContact O-CD 3.49Å; P693-Q696 PolarHBondContact O-N 3.01Å; P693-L697 WeakPolarHBondContact O-CB 3.25Å; P693-L697 PolarHBondContact O-N 2.89Å
694A92.3Very high92.4Very high2 Ų264.2 Ų64.22%0.01733%0.328CS..Hα-helixtrans-60.9-47.9177.100000111.5Y690 G691 L692 Q696 L697 I698 M792 F807Y690-A694 PolarHBondContact O-N 2.95Å; G691-A694 PolarHBondContact O-N 3.36Å; L692-A694 PolarHBondContact O-N 3.17Å; A694-Q696 PolarHBondContact O-N 2.95Å; A694-L697 PolarHBondContact O-N 3.13Å; A694-I698 WeakPolarHBondContact O-CG2 3.38Å; A694-I698 PolarHBondContact O-N 3.24Å; A694-M792 HydrophobicContact CB-SD 4.18Å; A694-F807 HydrophobicContact CB-CD1 3.75Å; A694-F807 HydrophobicContact CB-CD2 4.2Å; A694-F807 HydrophobicContact CB-CE1 3.7Å; A694-F807 HydrophobicContact CB-CE2 4.14Å; A694-F807 HydrophobicContact CB-CG 4.01Å; A694-F807 HydrophobicContact CB-CZ 3.91Å
695V91.3Very high92Very high54 Ų5462.2 Ų62.233%0.32732%0.318SS..Hα-helixtrans-63.2-39.4175.91730000111.8G691 L692 I698 M699 M792G691-V695 WeakPolarHBondContact O-CB 3.38Å; G691-V695 VanDerWaalsContact O-CG2 3.29Å; G691-V695 WeakPolarHBondContact O-CG2 3.27Å; G691-V695 PolarHBondContact O-N 2.91Å; L692-V695 PolarHBondContact O-N 3.02Å; V695-I698 WeakPolarHBondContact O-CG2 3.3Å; V695-M699 WeakPolarHBondContact O-CG 3.37Å; V695-M699 PolarHBondContact O-N 2.9Å; V695-M792 HydrophobicContact CG2-CE 4.46Å
696Q93.1Very high91.5Very high139 Ų13965 Ų6565%0.6533%0.327SS*.Hα-helixtrans-64.2-47175.6-178.9177.9-21.500111.5L692 P693 A694 M699 T700L692-Q696 PolarHBondContact O-N 3.44Å; P693-Q696 PolarHBondContact O-N 3.01Å; A694-Q696 PolarHBondContact O-N 2.95Å; Q696-M699 PolarHBondContact O-N 3.36Å; Q696-T700 PolarHBondContact O-N 3.19Å; Q696-T700 PolarHBondContact O-OG1 3.41Å; Q696-T700 VanDerWaalsContact O-OG1 3.1Å
697L91.4Very high91.2Very high72 Ų7268.7 Ų68.738%0.37734%0.343SS..Hα-helixtrans-65.6-42.5-176.7-176.652.9000111.8P693 A694 M699 T700 Y701 F807P693-L697 WeakPolarHBondContact O-CB 3.25Å; P693-L697 PolarHBondContact O-N 2.89Å; A694-L697 PolarHBondContact O-N 3.13Å; L697-M699 VanDerWaalsContact C-N 3.35Å; L697-M699 PolarHBondContact O-N 3.11Å; L697-T700 WeakPolarHBondContact O-CB 3.43Å; L697-T700 PolarHBondContact O-N 3.35Å; L697-Y701 HydrophobicContact CD1-CD2 3.83Å; L697-Y701 HydrophobicContact CD1-CE2 3.55Å; L697-Y701 HydrophobicContact CD2-CE2 4.21Å; L697-Y701 HydrophobicContact CG-CD2 3.88Å; L697-Y701 HydrophobicContact CG-CE2 3.69Å; L697-Y701 WeakPolarHBondContact O-CD2 3.1Å; L697-Y701 PolarHBondContact O-N 3.31Å; L697-F807 HydrophobicContact CD2-CZ 4.2Å
698I91.4Very high90.9Very high0 Ų071.5 Ų71.50%036%0.36CS..Hα-helixtrans-62.8-40.2176.4-176.460.8000112.2A694 V695 T700 Y701 Q702 C795 M798 C799A694-I698 WeakPolarHBondContact O-CG2 3.38Å; A694-I698 PolarHBondContact O-N 3.24Å; V695-I698 WeakPolarHBondContact O-CG2 3.3Å; I698-T700 VanDerWaalsContact C-N 3.3Å; I698-T700 PolarHBondContact O-N 2.92Å; I698-Y701 PolarHBondContact O-N 3.1Å; I698-Q702 HydrophobicContact CD1-CG 4.38Å; I698-Q702 HydrophobicContact CG1-CG 4.44Å; I698-Q702 WeakPolarHBondContact O-CG 3.33Å; I698-Q702 PolarHBondContact O-N 3.41Å; I698-C795 WeakPolarHBondContact CD1-O 3.2Å; I698-C795 WeakPolarHBondContact CG1-O 3.32Å; I698-C795 HydrophobicContact CG2-CB 4.44Å; I698-M798 HydrophobicContact CD1-CB 3.7Å; I698-M798 HydrophobicContact CG1-CB 3.62Å; I698-M798 HydrophobicContact CG1-CE 4.47Å; I698-M798 HydrophobicContact CG1-SD 4.36Å; I698-C799 HydrophobicContact CD1-CB 3.26Å
699M89.7Confident90.6Very high86 Ų8667.6 Ų67.642%0.42434%0.341SS..Hα-helixtrans-65.2-35.1176.2-66.7-67.8167.300111.7V695 Q696 L697 K703 F727 M798V695-M699 WeakPolarHBondContact O-CG 3.37Å; V695-M699 PolarHBondContact O-N 2.9Å; Q696-M699 PolarHBondContact O-N 3.36Å; L697-M699 VanDerWaalsContact C-N 3.35Å; L697-M699 PolarHBondContact O-N 3.11Å; M699-K703 WeakPolarHBondContact O-CB 3.13Å; M699-K703 PolarHBondContact O-N 2.87Å; M699-K703 VanDerWaalsContact O-N 3.1Å; M699-F727 HydrophobicContact CE-CE1 4.01Å; M699-F727 HydrophobicContact CE-CZ 4.17Å; M699-F727 HydrophobicContact SD-CE1 4.13Å; M699-M798 HydrophobicContact CE-CE 3.93Å
700T91Very high90.4Very high80 Ų8062 Ų6249%0.49132%0.318SS..Hα-helixtrans-66.2-43171.8-550000112Q696 L697 I698 K703 A704Q696-T700 PolarHBondContact O-N 3.19Å; Q696-T700 PolarHBondContact O-OG1 3.41Å; Q696-T700 VanDerWaalsContact O-OG1 3.1Å; L697-T700 WeakPolarHBondContact O-CB 3.43Å; L697-T700 PolarHBondContact O-N 3.35Å; I698-T700 VanDerWaalsContact C-N 3.3Å; I698-T700 PolarHBondContact O-N 2.92Å; T700-K703 PolarHBondContact O-N 3.45Å; T700-A704 WeakPolarHBondContact O-CB 3.36Å; T700-A704 PolarHBondContact O-N 3.1Å
701Y90.6Very high90.3Very high56 Ų5659.8 Ų59.822%0.2231%0.31CS..Hα-helixtrans-63-46.1175-86.4-70.5000112.6L697 I698 K703 A704 V705 N804L697-Y701 HydrophobicContact CD1-CD2 3.83Å; L697-Y701 HydrophobicContact CD1-CE2 3.55Å; L697-Y701 HydrophobicContact CD2-CE2 4.21Å; L697-Y701 HydrophobicContact CG-CD2 3.88Å; L697-Y701 HydrophobicContact CG-CE2 3.69Å; L697-Y701 WeakPolarHBondContact O-CD2 3.1Å; L697-Y701 PolarHBondContact O-N 3.31Å; I698-Y701 PolarHBondContact O-N 3.1Å; Y701-K703 VanDerWaalsContact C-N 3.28Å; Y701-K703 PolarHBondContact O-N 3.37Å; Y701-A704 PolarHBondContact O-N 3.27Å; Y701-A704 VanDerWaalsContact O-N 3.11Å; Y701-V705 WeakPolarHBondContact O-CG2 3.28Å; Y701-V705 PolarHBondContact O-N 3.17Å; Y701-N804 WeakPolarHBondContact CD2-ND2 3.42Å; Y701-N804 WeakPolarHBondContact CE2-ND2 3.28Å
702Q89Confident90.2Very high5 Ų561 Ų612%0.02332%0.315CS..Hα-helixtrans-58.2-41.3176.1-71.5-69.1-87.300111.8I698 F706 Y716 M798I698-Q702 HydrophobicContact CD1-CG 4.38Å; I698-Q702 HydrophobicContact CG1-CG 4.44Å; I698-Q702 WeakPolarHBondContact O-CG 3.33Å; I698-Q702 PolarHBondContact O-N 3.41Å; Q702-F706 PolarHBondContact O-N 3.45Å; Q702-F706 VanDerWaalsContact O-N 3.13Å; Q702-Y716 PolarHBondContact NE2-OH 2.03Å; Q702-M798 PolarHBondContact NE2-O 3.11Å; Q702-M798 VanDerWaalsContact NE2-O 3.09Å
703K89Confident90.1Very high117 Ų11758 Ų5851%0.50930%0.3SS..Hα-helixtrans-64.4-44173.7-175.6178.3172.3-173.70112M699 T700 Y701 F706 E707M699-K703 WeakPolarHBondContact O-CB 3.13Å; M699-K703 PolarHBondContact O-N 2.87Å; M699-K703 VanDerWaalsContact O-N 3.1Å; T700-K703 PolarHBondContact O-N 3.45Å; Y701-K703 VanDerWaalsContact C-N 3.28Å; Y701-K703 PolarHBondContact O-N 3.37Å; K703-F706 PolarHBondContact O-N 3.21Å; K703-E707 WeakPolarHBondContact CE-OE1 3.06Å; K703-E707 VanDerWaalsContact CE-OE2 3.24Å; K703-E707 WeakPolarHBondContact CE-OE2 3.28Å; K703-E707 HydrophobicContact CG-CG 4.3Å; K703-E707 IonicContact NZ-OE1 2.81Å; K703-E707 PolarHBondContact NZ-OE1 3.15Å; K703-E707 WeakPolarHBondContact O-CB 3.37Å; K703-E707 WeakPolarHBondContact O-CG 3.37Å; K703-E707 PolarHBondContact O-N 3.16Å
704A89.9Confident90.1Very high32 Ų3254.5 Ų54.526%0.26428%0.277SS..Hα-helixtrans-63.1-41179.200000112.6T700 Y701 E707 T708T700-A704 WeakPolarHBondContact O-CB 3.36Å; T700-A704 PolarHBondContact O-N 3.1Å; Y701-A704 PolarHBondContact O-N 3.27Å; Y701-A704 VanDerWaalsContact O-N 3.11Å; A704-E707 PolarHBondContact O-N 3.21Å; A704-T708 WeakPolarHBondContact O-CB 3.45Å; A704-T708 WeakPolarHBondContact O-CG2 3.32Å; A704-T708 PolarHBondContact O-N 2.95Å; A704-T708 PolarHBondContact O-OG1 2.84Å
705V88Confident90Very high5 Ų556 Ų563%0.0328%0.283CS..Hα-helixtrans-58.8-49.1172174.30000110.4Y701 E707 G709 L713 C714Y701-V705 WeakPolarHBondContact O-CG2 3.28Å; Y701-V705 PolarHBondContact O-N 3.17Å; V705-E707 PolarHBondContact O-N 3.11Å; V705-G709 VanDerWaalsContact O-CA 3.24Å; V705-G709 WeakPolarHBondContact O-CA 3.42Å; V705-G709 PolarHBondContact O-N 3.44Å; V705-L713 HydrophobicContact CG2-CB 3.86Å; V705-L713 HydrophobicContact CG2-CD1 3.92Å; V705-C714 VanDerWaalsContact CG2-SG 3.53Å
706F85.1Confident90Very high147 Ų14753.6 Ų53.665%0.64527%0.268SS*.Hα-helixtrans-65.2-37.6-178.7-176.2-94.8000113.6Q702 K703Q702-F706 PolarHBondContact O-N 3.45Å; Q702-F706 VanDerWaalsContact O-N 3.13Å; K703-F706 PolarHBondContact O-N 3.21Å
707E87.7Confident89.9Confident132 Ų13247.6 Ų47.662%0.61724%0.24SC*.Hα-helixtrans-79.2-37.6-179.5-73-177.8156.400113.2K703 A704 V705K703-E707 WeakPolarHBondContact CE-OE1 3.06Å; K703-E707 VanDerWaalsContact CE-OE2 3.24Å; K703-E707 WeakPolarHBondContact CE-OE2 3.28Å; K703-E707 HydrophobicContact CG-CG 4.3Å; K703-E707 IonicContact NZ-OE1 2.81Å; K703-E707 PolarHBondContact NZ-OE1 3.15Å; K703-E707 WeakPolarHBondContact O-CB 3.37Å; K703-E707 WeakPolarHBondContact O-CG 3.37Å; K703-E707 PolarHBondContact O-N 3.16Å; A704-E707 PolarHBondContact O-N 3.21Å; V705-E707 PolarHBondContact O-N 3.11Å
708T89.6Confident89.7Confident70 Ų7044.8 Ų44.843%0.42923%0.225SC..Hα-helixtrans-86.6-24.1179.262.10000113.5H209 A704 N710H209-T708 PolarHBondContact CE1-O 3.39Å; A704-T708 WeakPolarHBondContact O-CB 3.45Å; A704-T708 WeakPolarHBondContact O-CG2 3.32Å; A704-T708 PolarHBondContact O-N 2.95Å; A704-T708 PolarHBondContact O-OG1 2.84Å; T708-N710 PolarHBondContact O-N 2.9Å; T708-N710 WeakPolarHBondContact OG1-CB 3.4Å; T708-N710 PolarHBondContact OG1-N 3.27Å
709G88Confident89.4Confident5 Ų545.9 Ų45.95%0.05223%0.23CC..  trans67.511.3-168.600000114.3L208 H209 V705 E711L208-G709 CarbonylContact C-O 3.54Å; L208-G709 VanDerWaalsContact CA-O 3.31Å; L208-G709 WeakPolarHBondContact CA-O 3.11Å; H209-G709 PolarHBondContact N-O 2.96Å; H209-G709 PolarHBondContact ND1-O 2.7Å; V705-G709 VanDerWaalsContact O-CA 3.24Å; V705-G709 WeakPolarHBondContact O-CA 3.42Å; V705-G709 PolarHBondContact O-N 3.44Å; G709-E711 PolarHBondContact O-N 2.96Å
710N91.2Very high89.3Confident41 Ų4141.9 Ų41.922%0.21921%0.21CC..BIsolated β-bridgetrans-84.5100.6-178-172.1-1000111.5H209 T708 D712 L713H209-N710 WeakPolarHBondContact NE2-CB 3.07Å; T708-N710 PolarHBondContact O-N 2.9Å; T708-N710 WeakPolarHBondContact OG1-CB 3.4Å; T708-N710 PolarHBondContact OG1-N 3.27Å; N710-D712 PolarHBondContact O-N 2.82Å; N710-D712 VanDerWaalsContact OD1-CB 3.23Å; N710-D712 WeakPolarHBondContact OD1-CB 3.23Å; N710-D712 PolarHBondContact OD1-N 3.38Å; N710-L713 HydrophobicContact CB-CD1 4.16Å; N710-L713 HydrophobicContact CB-CG 4.29Å; N710-L713 PolarHBondContact O-N 2.95Å
711E90.4Very high89Confident18 Ų1838.8 Ų38.88%0.08419%0.193CC..G310 helixtrans-77.2-3.6178.8-63.4-6616700112.9H209 Q210 G709 L713 F718 R1007H209-E711 PolarHBondContact O-N 3.18Å; Q210-E711 HydrophobicContact CB-CB 4.13Å; G709-E711 PolarHBondContact O-N 2.96Å; E711-L713 VanDerWaalsContact C-N 3.27Å; E711-F718 HydrophobicContact CB-CE1 4.17Å; E711-F718 HydrophobicContact CB-CZ 3.93Å; E711-F718 HydrophobicContact CG-CE1 4.37Å; E711-F718 WeakPolarHBondContact OE2-CE1 3.3Å; E711-R1007 PolarHBondContact O-NH2 3.05Å
712D90.4Very high88.7Confident30 Ų3038.3 Ų38.316%0.1619%0.193CC..G310 helixtrans-76.4-11172.5-69.8-9.6000113.4Q210 T211 N710 C714 P1003 R1007Q210-D712 WeakPolarHBondContact CA-OD1 3.48Å; T211-D712 WeakPolarHBondContact CB-OD2 3.31Å; T211-D712 WeakPolarHBondContact CG2-OD2 3.41Å; T211-D712 PolarHBondContact N-OD1 3.08Å; T211-D712 PolarHBondContact N-OD2 3.44Å; T211-D712 PolarHBondContact OG1-OD1 2.8Å; T211-D712 VanDerWaalsContact OG1-OD1 3.1Å; T211-D712 PolarHBondContact OG1-OD2 2.69Å; N710-D712 PolarHBondContact O-N 2.82Å; N710-D712 VanDerWaalsContact OD1-CB 3.23Å; N710-D712 WeakPolarHBondContact OD1-CB 3.23Å; N710-D712 PolarHBondContact OD1-N 3.38Å; D712-C714 VanDerWaalsContact C-N 3.35Å; D712-P1003 HydrophobicContact CB-CB 3.96Å; D712-P1003 HydrophobicContact CB-CG 3.88Å; D712-P1003 VanDerWaalsContact O-CG 3.24Å; D712-P1003 WeakPolarHBondContact O-CG 3.18Å; D712-R1007 IonicContact OD1-CZ 2.75Å; D712-R1007 IonicContact OD1-NH1 3.9Å; D712-R1007 PolarHBondContact OD1-NH1 3.21Å; D712-R1007 IonicContact OD1-NH2 2.95Å; D712-R1007 PolarHBondContact OD1-NH2 2.72Å
713L90.8Very high88.3Confident54 Ų5440.8 Ų40.828%0.28321%0.21SC..G310 helixtrans-71.8-25.9178.6-69.9170.1000113.6V705 N710 E711V705-L713 HydrophobicContact CG2-CB 3.86Å; V705-L713 HydrophobicContact CG2-CD1 3.92Å; N710-L713 HydrophobicContact CB-CD1 4.16Å; N710-L713 HydrophobicContact CB-CG 4.29Å; N710-L713 PolarHBondContact O-N 2.95Å; E711-L713 VanDerWaalsContact C-N 3.27Å
714C91.6Very high87.8Confident0 Ų038.2 Ų38.20%020%0.202CC..SBendtrans-134132.6-174.9-54.70000111V705 D712 Y716 C799V705-C714 VanDerWaalsContact CG2-SG 3.53Å; D712-C714 VanDerWaalsContact C-N 3.35Å; C714-Y716 HydrophobicContact CB-CD2 3.98Å; C714-Y716 HydrophobicContact CB-CE1 4.13Å; C714-Y716 HydrophobicContact CB-CE2 3.27Å; C714-Y716 WeakPolarHBondContact CB-OH 3.46Å; C714-Y716 PolarHBondContact O-N 3.13Å; C714-Y716 PolarHBondContact SG-OH 3.5Å; C714-C799 HydrophobicContact CB-CB 3.95Å; C714-C799 WeakPolarHBondContact CB-SG 3.41Å; C714-C799 WeakPolarHBondContact SG-CB 3.07Å; C714-C799 CovalentContact SG-SG 2.03Å; C714-C799 PolarHBondContact SG-SG 3.29Å
715Y91.2Very high87.1Confident33 Ų3340.5 Ų40.513%0.12923%0.228CC..  trans-95.668.3-165.6-71.956.5000111.3P800 N801 T997 T998 V1001 P1003Y715-P800 WeakPolarHBondContact CB-O 3.41Å; Y715-P800 WeakPolarHBondContact CD1-O 3.36Å; Y715-P800 PolarHBondContact N-O 3.46Å; Y715-P800 WeakPolarHBondContact O-CG 3.27Å; Y715-N801 HydrophobicContact CD1-CB 4.17Å; Y715-N801 HydrophobicContact CE1-CB 4.27Å; Y715-T997 WeakPolarHBondContact O-CG2 3.18Å; Y715-T998 WeakPolarHBondContact CD2-O 3.41Å; Y715-V1001 VanDerWaalsContact CE2-O 3.29Å; Y715-V1001 WeakPolarHBondContact CE2-O 3.3Å; Y715-P1003 HydrophobicContact CE1-CB 4.47Å; Y715-P1003 HydrophobicContact CE1-CG 3.91Å; Y715-P1003 HydrophobicContact CE2-CB 4.36Å; Y715-P1003 HydrophobicContact CE2-CG 4.15Å; Y715-P1003 VanDerWaalsContact OH-CD 3.25Å; Y715-P1003 WeakPolarHBondContact OH-CD 3.17Å; Y715-P1003 WeakPolarHBondContact OH-CG 3.32Å
716Y90.9Very high86.5Confident4 Ų446 Ų462%0.01626%0.256CS..  trans-84151.7-177.4-54.4-62.8000114Q702 C714 F718 T728 A729 M798 P800 N1010Q702-Y716 PolarHBondContact NE2-OH 2.03Å; C714-Y716 HydrophobicContact CB-CD2 3.98Å; C714-Y716 HydrophobicContact CB-CE1 4.13Å; C714-Y716 HydrophobicContact CB-CE2 3.27Å; C714-Y716 WeakPolarHBondContact CB-OH 3.46Å; C714-Y716 PolarHBondContact O-N 3.13Å; C714-Y716 PolarHBondContact SG-OH 3.5Å; Y716-F718 AromaticContact CD2-CE1 3.81Å; Y716-F718 HydrophobicContact CD2-CE1 3.81Å; Y716-F718 HydrophobicContact CD2-CE2 4.4Å; Y716-F718 AromaticContact CD2-CZ 3.69Å; Y716-F718 HydrophobicContact CD2-CZ 3.69Å; Y716-F718 HydrophobicContact CG-CZ 4.38Å; Y716-F718 WeakPolarHBondContact O-CD2 3.49Å; Y716-F718 PolarHBondContact O-N 3.22Å; Y716-T728 HydrophobicContact CE2-CG2 4.48Å; Y716-T728 VanDerWaalsContact CE2-OG1 3.23Å; Y716-T728 WeakPolarHBondContact CE2-OG1 3.31Å; Y716-T728 PolarHBondContact OH-OG1 3.13Å; Y716-A729 HydrophobicContact CD1-CB 3.66Å; Y716-A729 HydrophobicContact CE1-CB 3.78Å; Y716-A729 HydrophobicContact CG-CB 4.48Å; Y716-M798 WeakPolarHBondContact CE1-O 3.5Å; Y716-M798 PolarHBondContact OH-O 2.91Å; Y716-P800 HydrophobicContact CD1-CG 4.43Å; Y716-N1010 PolarHBondContact O-ND2 3.49Å; Y716-N1010 PolarHBondContact O-OD1 3.29Å
717N91.4Very high86.3Confident12 Ų1241.5 Ų41.56%0.06424%0.237CC..  trans-73.582.4157.1-177.99.6000108.9E719 C720 A721 T997 N1010 Q1011 D1020N717-E719 PolarHBondContact O-N 2.78Å; N717-E719 VanDerWaalsContact O-N 3.09Å; N717-E719 PolarHBondContact OD1-N 3.15Å; N717-C720 CarbonylContact O-C 3.55Å; N717-C720 PolarHBondContact O-N 2.79Å; N717-A721 PolarHBondContact O-N 2.91Å; N717-T997 HydrophobicContact CB-CG2 3.89Å; N717-T997 VanDerWaalsContact N-CG2 3.35Å; N717-N1010 WeakPolarHBondContact OD1-CA 3.33Å; N717-N1010 VanDerWaalsContact OD1-CB 3.31Å; N717-N1010 WeakPolarHBondContact OD1-CB 3.44Å; N717-Q1011 PolarHBondContact ND2-O 2.91Å; N717-Q1011 PolarHBondContact OD1-N 3.48Å; N717-Q1011 VanDerWaalsContact OD1-N 3.08Å; N717-Q1011 PolarHBondContact OD1-O 3.23Å; N717-Q1011 VanDerWaalsContact OD1-O 3.11Å; N717-D1020 PolarHBondContact ND2-OD2 3.28Å
718F87.7Confident86.1Confident13 Ų1336.8 Ų36.86%0.05722%0.217CC..THydrogen-bonded Turntrans-61.5-16.6-175.8-69.2-84.7000114.2A217 E711 Y716 C720 R1007 N1010A217-F718 HydrophobicContact CB-CB 3.89Å; A217-F718 WeakPolarHBondContact O-CB 3.35Å; E711-F718 HydrophobicContact CB-CE1 4.17Å; E711-F718 HydrophobicContact CB-CZ 3.93Å; E711-F718 HydrophobicContact CG-CE1 4.37Å; E711-F718 WeakPolarHBondContact OE2-CE1 3.3Å; Y716-F718 AromaticContact CD2-CE1 3.81Å; Y716-F718 HydrophobicContact CD2-CE1 3.81Å; Y716-F718 HydrophobicContact CD2-CE2 4.4Å; Y716-F718 AromaticContact CD2-CZ 3.69Å; Y716-F718 HydrophobicContact CD2-CZ 3.69Å; Y716-F718 HydrophobicContact CG-CZ 4.38Å; Y716-F718 WeakPolarHBondContact O-CD2 3.49Å; Y716-F718 PolarHBondContact O-N 3.22Å; F718-C720 VanDerWaalsContact C-N 3.31Å; F718-R1007 HydrophobicContact CD2-CG 4.12Å; F718-R1007 HydrophobicContact CE2-CG 4.32Å; F718-R1007 VanDerWaalsContact CE2-NE 3.34Å; F718-N1010 PolarHBondContact N-ND2 3.3Å
719E84.7Confident85.9Confident23 Ų2333.5 Ų33.511%0.10720%0.197CC..THydrogen-bonded Turntrans-80.3-7.8172.3-64-153.9178.300113.8K176 L215 A217 N717 N1010K176-E719 WeakPolarHBondContact CD-OE1 3.33Å; K176-E719 WeakPolarHBondContact CE-OE1 3.03Å; K176-E719 IonicContact NZ-OE1 2.87Å; K176-E719 PolarHBondContact NZ-OE1 2.82Å; K176-E719 IonicContact NZ-OE2 3.25Å; K176-E719 PolarHBondContact NZ-OE2 2.83Å; L215-E719 WeakPolarHBondContact CD1-OE1 3.2Å; L215-E719 WeakPolarHBondContact CD2-OE1 3.48Å; A217-E719 HydrophobicContact CB-CG 4.27Å; N717-E719 PolarHBondContact O-N 2.78Å; N717-E719 VanDerWaalsContact O-N 3.09Å; N717-E719 PolarHBondContact OD1-N 3.15Å; E719-N1010 HydrophobicContact CG-CB 4.25Å
720C87.9Confident85.8Confident2 Ų234.6 Ų34.61%0.01420%0.201CC..SBendtrans-137.217.7174.6-165.80000112.8N717 F718 H722 N731 C1013 D1020N717-C720 CarbonylContact O-C 3.55Å; N717-C720 PolarHBondContact O-N 2.79Å; F718-C720 VanDerWaalsContact C-N 3.31Å; C720-H722 PolarHBondContact O-CD2 2.94Å; C720-H722 PolarHBondContact O-N 3.3Å; C720-N731 PolarHBondContact O-ND2 3.45Å; C720-C1013 WeakPolarHBondContact CA-SG 3.2Å; C720-C1013 HydrophobicContact CB-CB 4.12Å; C720-C1013 WeakPolarHBondContact CB-SG 3.42Å; C720-C1013 WeakPolarHBondContact SG-CA 3.44Å; C720-C1013 WeakPolarHBondContact SG-CB 3.39Å; C720-C1013 CovalentContact SG-SG 2.03Å; C720-C1013 PolarHBondContact SG-SG 2.95Å; C720-D1020 HydrophobicContact CB-CB 4.04Å
721A85Confident85.8Confident16 Ų1632.8 Ų32.813%0.13219%0.191CC..  trans-82.7112.8179.800000111N717N717-A721 PolarHBondContact O-N 2.91Å
722H84.2Confident85.8Confident46 Ų4632.8 Ų32.821%0.21319%0.191CC..  trans-106.7113.1-178.7-71.6-69000112.6Y287 C720 T728 F730 N731 C1013 D1017 F1018Y287-H722 HydrophobicContact CE1-CB 3.97Å; C720-H722 PolarHBondContact O-CD2 2.94Å; C720-H722 PolarHBondContact O-N 3.3Å; H722-T728 CarbonylContact C-O 3.53Å; H722-F730 VanDerWaalsContact O-CB 3.26Å; H722-F730 WeakPolarHBondContact O-CB 3.48Å; H722-F730 PolarHBondContact O-N 3.31Å; H722-N731 PolarHBondContact N-OD1 3.13Å; H722-C1013 PolarHBondContact NE2-SG 3.14Å; H722-D1017 PolarHBondContact NE2-O 2.99Å; H722-F1018 HydrophobicContact CB-CD2 4.09Å; H722-F1018 HydrophobicContact CB-CE2 3.54Å; H722-F1018 HydrophobicContact CB-CZ 4.18Å; H722-F1018 AromaticContact CD2-CD2 3.57Å; H722-F1018 AromaticContact CD2-CE2 3.93Å; H722-F1018 PolarHBondContact CD2-O 3.36Å; H722-F1018 AromaticContact CG-CD2 3.67Å; H722-F1018 AromaticContact CG-CE2 3.66Å
723S79.8Confident85.9Confident56 Ų5633.1 Ų33.139%0.39219%0.193SC..  trans-85.4131.8-174.960.10000114W285 Y287 F727 T728W285-S723 WeakPolarHBondContact CH2-O 3.24Å; Y287-S723 PolarHBondContact OH-N 2.79Å; Y287-S723 PolarHBondContact OH-O 2.79Å; S723-F727 CarbonylContact C-O 3.59Å; S723-F727 WeakPolarHBondContact CA-O 3.42Å; S723-T728 WeakPolarHBondContact CA-O 2.79Å; S723-T728 PolarHBondContact N-O 2.93Å
724L78.5Confident86Confident63 Ų6331.5 Ų31.533%0.3318%0.184SC..BIsolated β-bridgetrans-131.6109.8171177.266000110.3W285 Y287 I726 F727 F730W285-L724 HydrophobicContact CE3-CD1 4.35Å; W285-L724 HydrophobicContact CH2-CD1 3.69Å; W285-L724 HydrophobicContact CZ3-CB 4.3Å; W285-L724 HydrophobicContact CZ3-CD1 3.39Å; W285-L724 HydrophobicContact CZ3-CG 4.38Å; Y287-L724 HydrophobicContact CE1-CB 4.5Å; L724-I726 PolarHBondContact O-N 2.91Å; L724-F727 PolarHBondContact N-O 3.12Å; L724-F727 PolarHBondContact O-N 3.46Å; L724-F730 HydrophobicContact CB-CB 3.82Å; L724-F730 HydrophobicContact CB-CD1 4.02Å; L724-F730 HydrophobicContact CB-CD2 4.02Å; L724-F730 HydrophobicContact CB-CG 3.67Å; L724-F730 HydrophobicContact CD2-CD1 3.77Å; L724-F730 HydrophobicContact CD2-CD2 3.89Å; L724-F730 HydrophobicContact CD2-CE1 3.55Å; L724-F730 HydrophobicContact CD2-CE2 3.69Å; L724-F730 HydrophobicContact CD2-CG 3.94Å; L724-F730 HydrophobicContact CD2-CZ 3.5Å; L724-F730 HydrophobicContact CG-CD2 4.45Å; L724-F730 HydrophobicContact CG-CG 4.42Å
725G76Confident86.2Confident80 Ų8031.5 Ų31.583%0.82518%0.184SC*.THydrogen-bonded Turntrans69.8-113.8179.300000111.5
726I74.8Confident86.4Confident120 Ų12030 Ų3062%0.61518%0.178SC*.THydrogen-bonded Turntrans-86.6-23.2179.3-53174.2000110.8L724L724-I726 PolarHBondContact O-N 2.91Å
727F81.2Confident86.6Confident54 Ų5432.1 Ų32.124%0.23719%0.19CC..BIsolated β-bridgetrans-87.7125.4-172.1-48.4-52.4000111.1M699 S723 L724 F730 I733 M798M699-F727 HydrophobicContact CE-CE1 4.01Å; M699-F727 HydrophobicContact CE-CZ 4.17Å; M699-F727 HydrophobicContact SD-CE1 4.13Å; S723-F727 CarbonylContact C-O 3.59Å; S723-F727 WeakPolarHBondContact CA-O 3.42Å; L724-F727 PolarHBondContact N-O 3.12Å; L724-F727 PolarHBondContact O-N 3.46Å; F727-F730 HydrophobicContact CD2-CD2 4.3Å; F727-I733 HydrophobicContact CB-CD1 4.14Å; F727-I733 HydrophobicContact CD2-CD1 4.03Å; F727-I733 HydrophobicContact CG-CD1 3.96Å; F727-M798 HydrophobicContact CD1-CE 3.37Å; F727-M798 HydrophobicContact CE1-CE 3.21Å; F727-M798 HydrophobicContact CG-CE 4.2Å; F727-M798 HydrophobicContact CZ-CE 3.93Å
728T81.8Confident86.8Confident32 Ų3231.6 Ų31.620%0.19619%0.187CC..SBendtrans-76.3-40.1-179.347.30000113.1Y716 H722 S723Y716-T728 HydrophobicContact CE2-CG2 4.48Å; Y716-T728 VanDerWaalsContact CE2-OG1 3.23Å; Y716-T728 WeakPolarHBondContact CE2-OG1 3.31Å; Y716-T728 PolarHBondContact OH-OG1 3.13Å; H722-T728 CarbonylContact C-O 3.53Å; S723-T728 WeakPolarHBondContact CA-O 2.79Å; S723-T728 PolarHBondContact N-O 2.93Å
729A85.4Confident87.3Confident2 Ų231.2 Ų31.22%0.01719%0.185CC..  trans-116.871.4179.200000110.9Y716 N731 N732Y716-A729 HydrophobicContact CD1-CB 3.66Å; Y716-A729 HydrophobicContact CE1-CB 3.78Å; Y716-A729 HydrophobicContact CG-CB 4.48Å; A729-N731 VanDerWaalsContact C-N 3.31Å; A729-N731 PolarHBondContact O-N 3.25Å; A729-N732 PolarHBondContact O-N 3.34Å
730F87.6Confident87.9Confident28 Ų2831.8 Ų31.812%0.12319%0.19CC..Hα-helixtrans-71.2-25.9-178.3-176.7-103000113.1Y287 I291 H722 L724 F727 N732 I733 I734Y287-F730 HydrophobicContact CD1-CD1 4.44Å; I291-F730 HydrophobicContact CD1-CE1 3.77Å; I291-F730 HydrophobicContact CG1-CE1 4.34Å; H722-F730 VanDerWaalsContact O-CB 3.26Å; H722-F730 WeakPolarHBondContact O-CB 3.48Å; H722-F730 PolarHBondContact O-N 3.31Å; L724-F730 HydrophobicContact CB-CB 3.82Å; L724-F730 HydrophobicContact CB-CD1 4.02Å; L724-F730 HydrophobicContact CB-CD2 4.02Å; L724-F730 HydrophobicContact CB-CG 3.67Å; L724-F730 HydrophobicContact CD2-CD1 3.77Å; L724-F730 HydrophobicContact CD2-CD2 3.89Å; L724-F730 HydrophobicContact CD2-CE1 3.55Å; L724-F730 HydrophobicContact CD2-CE2 3.69Å; L724-F730 HydrophobicContact CD2-CG 3.94Å; L724-F730 HydrophobicContact CD2-CZ 3.5Å; L724-F730 HydrophobicContact CG-CD2 4.45Å; L724-F730 HydrophobicContact CG-CG 4.42Å; F727-F730 HydrophobicContact CD2-CD2 4.3Å; F730-N732 VanDerWaalsContact C-N 3.3Å; F730-N732 PolarHBondContact O-N 2.94Å; F730-I733 HydrophobicContact CD2-CB 4.47Å; F730-I733 HydrophobicContact CD2-CD1 4.02Å; F730-I733 WeakPolarHBondContact O-CB 3.19Å; F730-I733 PolarHBondContact O-N 3.02Å; F730-I733 VanDerWaalsContact O-N 3.11Å; F730-I734 HydrophobicContact CD1-CG1 3.96Å; F730-I734 HydrophobicContact CE1-CD1 3.82Å; F730-I734 HydrophobicContact CE1-CG1 3.35Å; F730-I734 HydrophobicContact CE2-CG1 4.42Å; F730-I734 HydrophobicContact CZ-CD1 3.63Å; F730-I734 HydrophobicContact CZ-CG1 3.62Å; F730-I734 PolarHBondContact O-N 3.45Å
731N90.4Very high88.4Confident3 Ų333.4 Ų33.42%0.01620%0.198CC..Hα-helixtrans-53.9-46.2172.753.8-62.3000111.6C720 H722 A729 I733 I734 S735 F1018 Y1019 D1023C720-N731 PolarHBondContact O-ND2 3.45Å; H722-N731 PolarHBondContact N-OD1 3.13Å; A729-N731 VanDerWaalsContact C-N 3.31Å; A729-N731 PolarHBondContact O-N 3.25Å; N731-I733 VanDerWaalsContact C-N 3.26Å; N731-I733 PolarHBondContact O-N 3.1Å; N731-I734 PolarHBondContact O-N 2.81Å; N731-I734 VanDerWaalsContact O-N 3.09Å; N731-S735 PolarHBondContact O-N 3.4Å; N731-S735 PolarHBondContact O-OG 3.33Å; N731-F1018 HydrophobicContact CB-CD1 4.05Å; N731-F1018 HydrophobicContact CB-CE1 3.64Å; N731-F1018 HydrophobicContact CB-CZ 3.97Å; N731-F1018 VanDerWaalsContact CB-O 3.27Å; N731-F1018 WeakPolarHBondContact CB-O 3.45Å; N731-Y1019 HydrophobicContact CB-CD1 4.29Å; N731-D1023 PolarHBondContact ND2-OD2 3.2Å
732N89.8Confident89Confident17 Ų1732.6 Ų32.69%0.09119%0.191CC..Hα-helixtrans-59-30.5176.3-63.7-1.7000114.4A729 F730 S735 N736 H797 D1023A729-N732 PolarHBondContact O-N 3.34Å; F730-N732 VanDerWaalsContact C-N 3.3Å; F730-N732 PolarHBondContact O-N 2.94Å; N732-S735 WeakPolarHBondContact CA-OG 3.22Å; N732-S735 PolarHBondContact O-OG 3.48Å; N732-S735 VanDerWaalsContact O-OG 3.08Å; N732-N736 PolarHBondContact O-ND2 3.32Å; N732-H797 HydrophobicContact CB-CB 3.72Å; N732-H797 PolarHBondContact ND2-O 2.94Å; N732-D1023 WeakPolarHBondContact CA-OD1 3.21Å; N732-D1023 PolarHBondContact OD1-OD1 3.11Å
733I92.7Very high89.6Confident37 Ų3730.4 Ų30.419%0.1918%0.181CC..Hα-helixtrans-74.3-42.1177.7-56.1179000109.6F727 F730 N731 A794 M798F727-I733 HydrophobicContact CB-CD1 4.14Å; F727-I733 HydrophobicContact CD2-CD1 4.03Å; F727-I733 HydrophobicContact CG-CD1 3.96Å; F730-I733 HydrophobicContact CD2-CB 4.47Å; F730-I733 HydrophobicContact CD2-CD1 4.02Å; F730-I733 WeakPolarHBondContact O-CB 3.19Å; F730-I733 PolarHBondContact O-N 3.02Å; F730-I733 VanDerWaalsContact O-N 3.11Å; N731-I733 VanDerWaalsContact C-N 3.26Å; N731-I733 PolarHBondContact O-N 3.1Å; I733-A794 HydrophobicContact CG2-CB 4.43Å; I733-M798 HydrophobicContact CD1-CE 4.01Å; I733-M798 HydrophobicContact CD1-CG 3.6Å; I733-M798 HydrophobicContact CD1-SD 3.92Å; I733-M798 HydrophobicContact CG1-CG 3.65Å; I733-M798 HydrophobicContact CG1-SD 4.26Å
734I93.1Very high90.5Very high20 Ų2031.4 Ų31.410%0.10318%0.181CC..Hα-helixtrans-73.9-33.7-179.9-64.7-65000111.7I291 A294 F730 N731 N736 I737 Y1019I291-I734 HydrophobicContact CG1-CD1 4.49Å; I291-I734 HydrophobicContact CG1-CG1 4.24Å; I291-I734 HydrophobicContact CG1-CG2 4.43Å; I291-I734 HydrophobicContact CG2-CD1 4.39Å; A294-I734 HydrophobicContact CB-CG2 3.96Å; F730-I734 HydrophobicContact CD1-CG1 3.96Å; F730-I734 HydrophobicContact CE1-CD1 3.82Å; F730-I734 HydrophobicContact CE1-CG1 3.35Å; F730-I734 HydrophobicContact CE2-CG1 4.42Å; F730-I734 HydrophobicContact CZ-CD1 3.63Å; F730-I734 HydrophobicContact CZ-CG1 3.62Å; F730-I734 PolarHBondContact O-N 3.45Å; N731-I734 PolarHBondContact O-N 2.81Å; N731-I734 VanDerWaalsContact O-N 3.09Å; I734-N736 PolarHBondContact O-N 2.76Å; I734-I737 WeakPolarHBondContact O-CB 3.46Å; I734-I737 WeakPolarHBondContact O-CG2 3.46Å; I734-I737 PolarHBondContact O-N 3.45Å; I734-I737 VanDerWaalsContact O-N 3.13Å; I734-Y1019 HydrophobicContact CG2-CE1 4.35Å; I734-Y1019 VanDerWaalsContact CG2-OH 3.24Å; I734-Y1019 WeakPolarHBondContact CG2-OH 3.32Å
735S95Very high91.4Very high0 Ų028.6 Ų28.60%017%0.167CC..Hα-helixtrans-60.9-34.7176.158.70000112.4N731 N732 I737 D1023 F1027N731-S735 PolarHBondContact O-N 3.4Å; N731-S735 PolarHBondContact O-OG 3.33Å; N732-S735 WeakPolarHBondContact CA-OG 3.22Å; N732-S735 PolarHBondContact O-OG 3.48Å; N732-S735 VanDerWaalsContact O-OG 3.08Å; S735-I737 PolarHBondContact O-N 3.25Å; S735-D1023 WeakPolarHBondContact CB-OD1 3.46Å; S735-D1023 PolarHBondContact OG-OD1 3.42Å; S735-F1027 VanDerWaalsContact CA-CE1 3.42Å; S735-F1027 WeakPolarHBondContact O-CD1 3.46Å
736N95.7Very high92.5Very high1 Ų124.8 Ų24.81%0.00513%0.128CC..THydrogen-bonded Turntrans-76.3-9.4176.6-81.5-67.8000116.1N732 I734 G738 Y739 S793 A794 H1026N732-N736 PolarHBondContact O-ND2 3.32Å; I734-N736 PolarHBondContact O-N 2.76Å; N736-G738 PolarHBondContact O-N 3.29Å; N736-G738 VanDerWaalsContact O-N 3.12Å; N736-Y739 PolarHBondContact O-N 2.91Å; N736-Y739 WeakPolarHBondContact OD1-CD2 3.33Å; N736-Y739 WeakPolarHBondContact OD1-CE2 3.42Å; N736-S793 VanDerWaalsContact OD1-CB 3.31Å; N736-S793 WeakPolarHBondContact OD1-CB 3.42Å; N736-S793 PolarHBondContact OD1-OG 3.18Å; N736-S793 VanDerWaalsContact OD1-OG 3.11Å; N736-A794 HydrophobicContact CB-CB 4.05Å; N736-H1026 PolarHBondContact ND2-CE1 3.41Å; N736-H1026 VanDerWaalsContact ND2-CE1 3.27Å; N736-H1026 PolarHBondContact ND2-ND1 3.42Å; N736-H1026 PolarHBondContact OD1-CE1 3.39Å; N736-H1026 PolarHBondContact OD1-ND1 3.23Å
737I95.5Very high93.5Very high50 Ų5020.6 Ų20.626%0.25611%0.106SC..Hα-helixtrans-62.5-24-179.9-156.960.4000112.8Y298 I734 S735 Y739 V740 M741Y298-I737 HydrophobicContact CD2-CG2 4.02Å; Y298-I737 HydrophobicContact CE2-CG2 4.17Å; I734-I737 WeakPolarHBondContact O-CB 3.46Å; I734-I737 WeakPolarHBondContact O-CG2 3.46Å; I734-I737 PolarHBondContact O-N 3.45Å; I734-I737 VanDerWaalsContact O-N 3.13Å; S735-I737 PolarHBondContact O-N 3.25Å; I737-Y739 PolarHBondContact O-N 3Å; I737-V740 HydrophobicContact CD1-CB 4.37Å; I737-V740 PolarHBondContact O-N 3.11Å; I737-M741 HydrophobicContact CG1-CG 4.12Å; I737-M741 WeakPolarHBondContact O-CB 3.38Å; I737-M741 WeakPolarHBondContact O-CG 3.33Å; I737-M741 PolarHBondContact O-N 3.29Å
738G96.3Very high94.3Very high0 Ų022.3 Ų22.30%012%0.121CC..Hα-helixtrans-59.7-43.9178.700000113Y298 N736 M741 L742Y298-G738 VanDerWaalsContact CE1-CA 3.47Å; N736-G738 PolarHBondContact O-N 3.29Å; N736-G738 VanDerWaalsContact O-N 3.12Å; G738-M741 PolarHBondContact O-N 3.29Å; G738-L742 VanDerWaalsContact O-CB 3.24Å; G738-L742 WeakPolarHBondContact O-CB 3.38Å; G738-L742 VanDerWaalsContact O-CG 3.28Å; G738-L742 WeakPolarHBondContact O-CG 3.04Å; G738-L742 PolarHBondContact O-N 3.39Å
739Y97.9Very high95Very high5 Ų521.4 Ų21.42%0.0212%0.115CC..Hα-helixtrans-61.6-44.6176.1-68.3-73.2000112.2N736 I737 G743 L786 E789 H1026 S1029 S1030N736-Y739 PolarHBondContact O-N 2.91Å; N736-Y739 WeakPolarHBondContact OD1-CD2 3.33Å; N736-Y739 WeakPolarHBondContact OD1-CE2 3.42Å; I737-Y739 PolarHBondContact O-N 3Å; Y739-G743 WeakPolarHBondContact O-CA 3.44Å; Y739-G743 PolarHBondContact O-N 2.61Å; Y739-L786 CarbonylContact C-O 3.49Å; Y739-L786 HydrophobicContact CD1-CD1 3.73Å; Y739-L786 HydrophobicContact CD1-CG 4.42Å; Y739-L786 HydrophobicContact CE1-CD1 4.35Å; Y739-E789 HydrophobicContact CD1-CG 4.29Å; Y739-E789 HydrophobicContact CE1-CG 4.34Å; Y739-H1026 HydrophobicContact CE2-CB 4.15Å; Y739-H1026 AromaticContact CE2-ND1 3.75Å; Y739-S1029 VanDerWaalsContact CZ-OG 3.31Å; Y739-S1029 PolarHBondContact OH-OG 3.04Å; Y739-S1030 VanDerWaalsContact CD1-CB 3.45Å
740V97.7Very high95.5Very high35 Ų3521.3 Ų21.321%0.21211%0.114CC..Hα-helixtrans-61.9-51.3177.8-177.30000110.8I737 L744 T787I737-V740 HydrophobicContact CD1-CB 4.37Å; I737-V740 PolarHBondContact O-N 3.11Å; V740-L744 HydrophobicContact CG1-CD1 4.17Å; V740-L744 WeakPolarHBondContact O-CB 3.2Å; V740-L744 VanDerWaalsContact O-CG 3.27Å; V740-L744 WeakPolarHBondContact O-CG 3.31Å; V740-L744 PolarHBondContact O-N 2.69Å; V740-T787 HydrophobicContact CG1-CG2 4.05Å
741M97.7Very high95.9Very high36 Ų3621.4 Ų21.418%0.17712%0.12CC..Hα-helixtrans-65.5-47.3-178.2-70-75.5-94.300111.7V295 Y298 L299 Y302 I737 G738 L744 L745V295-M741 HydrophobicContact CG1-CE 4.5Å; Y298-M741 HydrophobicContact CG-CB 4.44Å; L299-M741 HydrophobicContact CD2-CE 3.85Å; L299-M741 HydrophobicContact CG-CE 4.1Å; Y302-M741 HydrophobicContact CE2-CB 4.24Å; Y302-M741 HydrophobicContact CE2-CE 4.39Å; Y302-M741 HydrophobicContact CE2-SD 4.49Å; Y302-M741 PolarHBondContact OH-O 3Å; I737-M741 HydrophobicContact CG1-CG 4.12Å; I737-M741 WeakPolarHBondContact O-CB 3.38Å; I737-M741 WeakPolarHBondContact O-CG 3.33Å; I737-M741 PolarHBondContact O-N 3.29Å; G738-M741 PolarHBondContact O-N 3.29Å; M741-L744 PolarHBondContact O-N 3.3Å; M741-L745 WeakPolarHBondContact O-CB 3.36Å; M741-L745 PolarHBondContact O-N 3.46Å
742L97.9Very high96.1Very high0 Ų025 Ų250%013%0.133CC..Hα-helixtrans-72.1-30.7-179.6-65175000112.5Y298 F301 G738 L745 F746 S1030 I1031 F1034Y298-L742 HydrophobicContact CD1-CD1 3.85Å; Y298-L742 HydrophobicContact CD1-CD2 4.25Å; Y298-L742 HydrophobicContact CD1-CG 3.87Å; Y298-L742 HydrophobicContact CE1-CD1 3.81Å; Y298-L742 HydrophobicContact CE1-CG 4.31Å; F301-L742 HydrophobicContact CB-CD2 3.95Å; F301-L742 HydrophobicContact CD1-CD2 3.9Å; F301-L742 HydrophobicContact CD2-CD2 4.42Å; F301-L742 HydrophobicContact CG-CD2 3.85Å; G738-L742 VanDerWaalsContact O-CB 3.24Å; G738-L742 WeakPolarHBondContact O-CB 3.38Å; G738-L742 VanDerWaalsContact O-CG 3.28Å; G738-L742 WeakPolarHBondContact O-CG 3.04Å; G738-L742 PolarHBondContact O-N 3.39Å; L742-L745 HydrophobicContact CD2-CD2 4.2Å; L742-L745 PolarHBondContact O-N 3.28Å; L742-F746 WeakPolarHBondContact O-CB 3.44Å; L742-F746 PolarHBondContact O-N 3.47Å; L742-S1030 WeakPolarHBondContact CD1-O 3.37Å; L742-I1031 HydrophobicContact CD1-CG1 4.08Å; L742-F1034 HydrophobicContact CB-CB 4.05Å; L742-F1034 HydrophobicContact CB-CD2 3.96Å; L742-F1034 HydrophobicContact CB-CG 4.2Å; L742-F1034 HydrophobicContact CD1-CB 3.97Å; L742-F1034 HydrophobicContact CD1-CG 4.47Å; L742-F1034 HydrophobicContact CD2-CB 4.47Å; L742-F1034 HydrophobicContact CD2-CD1 4.42Å; L742-F1034 HydrophobicContact CD2-CD2 4.18Å; L742-F1034 HydrophobicContact CD2-CG 4.1Å; L742-F1034 HydrophobicContact CG-CB 4.39Å; L742-F1034 HydrophobicContact CG-CG 4.49Å
743G97.8Very high96.2Very high0 Ų026.2 Ų26.20%014%0.137CC..Hα-helixtrans-63.2-47.4170.200000112.5Y739 F746 L747Y739-G743 WeakPolarHBondContact O-CA 3.44Å; Y739-G743 PolarHBondContact O-N 2.61Å; G743-F746 WeakPolarHBondContact O-CB 3.47Å; G743-F746 PolarHBondContact O-N 3.49Å; G743-L747 WeakPolarHBondContact O-CG 3.22Å; G743-L747 PolarHBondContact O-N 2.67Å
744L98Very high96.2Very high76 Ų7624.6 Ų24.640%0.39813%0.129SC..Hα-helixtrans-63.4-41174.2-70.1172.6000112.2V740 M741 F746 L747 V748 T787V740-L744 HydrophobicContact CG1-CD1 4.17Å; V740-L744 WeakPolarHBondContact O-CB 3.2Å; V740-L744 VanDerWaalsContact O-CG 3.27Å; V740-L744 WeakPolarHBondContact O-CG 3.31Å; V740-L744 PolarHBondContact O-N 2.69Å; M741-L744 PolarHBondContact O-N 3.3Å; L744-F746 VanDerWaalsContact C-N 3.33Å; L744-F746 PolarHBondContact O-N 2.85Å; L744-L747 HydrophobicContact CD2-CD1 4.32Å; L744-L747 PolarHBondContact O-N 3.21Å; L744-V748 WeakPolarHBondContact O-CG2 3.05Å; L744-V748 PolarHBondContact O-N 3.43Å; L744-T787 HydrophobicContact CD2-CG2 4.25Å; L744-T787 HydrophobicContact CG-CG2 4.14Å
745L97.8Very high96.2Very high5 Ų527.8 Ų27.83%0.02615%0.145CC..Hα-helixtrans-60.6-42.4173.3-178.159000111.6F301 Y302 T305 M741 L742 V748 L749 F1034F301-L745 HydrophobicContact CB-CD2 3.83Å; Y302-L745 HydrophobicContact CD1-CD1 3.84Å; Y302-L745 HydrophobicContact CD2-CD1 4.43Å; Y302-L745 HydrophobicContact CD2-CD2 4.19Å; Y302-L745 HydrophobicContact CE1-CB 4.22Å; Y302-L745 HydrophobicContact CE1-CD1 4.03Å; Y302-L745 HydrophobicContact CE2-CB 3.97Å; Y302-L745 HydrophobicContact CE2-CD2 4.39Å; Y302-L745 HydrophobicContact CG-CD1 4.07Å; T305-L745 HydrophobicContact CG2-CD1 4.07Å; M741-L745 WeakPolarHBondContact O-CB 3.36Å; M741-L745 PolarHBondContact O-N 3.46Å; L742-L745 HydrophobicContact CD2-CD2 4.2Å; L742-L745 PolarHBondContact O-N 3.28Å; L745-V748 PolarHBondContact O-N 2.99Å; L745-L749 HydrophobicContact CG-CD1 4.24Å; L745-L749 WeakPolarHBondContact O-CB 3.47Å; L745-L749 WeakPolarHBondContact O-CG 3.35Å; L745-L749 PolarHBondContact O-N 3.04Å; L745-F1034 HydrophobicContact CB-CE2 4.31Å; L745-F1034 HydrophobicContact CD2-CE2 3.9Å; L745-F1034 HydrophobicContact CD2-CZ 3.77Å; L745-F1034 HydrophobicContact CG-CE2 3.97Å; L745-F1034 HydrophobicContact CG-CZ 4.16Å
746F97.8Very high95.9Very high0 Ų031 Ų310%016%0.161CC..Hα-helixtrans-64.2-39.2176.2-173.1-97.5000112.5L742 G743 L744 L749 T750 F779 M782 F1034 F1037 M1038 M1041L742-F746 WeakPolarHBondContact O-CB 3.44Å; L742-F746 PolarHBondContact O-N 3.47Å; G743-F746 WeakPolarHBondContact O-CB 3.47Å; G743-F746 PolarHBondContact O-N 3.49Å; L744-F746 VanDerWaalsContact C-N 3.33Å; L744-F746 PolarHBondContact O-N 2.85Å; F746-L749 PolarHBondContact O-N 3.25Å; F746-T750 WeakPolarHBondContact CE1-OG1 3.44Å; F746-T750 WeakPolarHBondContact O-CB 3.47Å; F746-T750 PolarHBondContact O-N 3.42Å; F746-T750 PolarHBondContact O-OG1 3.36Å; F746-F779 HydrophobicContact CE1-CB 4.19Å; F746-F779 HydrophobicContact CE1-CD1 4.28Å; F746-F779 WeakPolarHBondContact CE1-O 3.4Å; F746-F779 HydrophobicContact CZ-CB 4.4Å; F746-F779 AromaticContact CZ-CD1 3.8Å; F746-F779 HydrophobicContact CZ-CD1 3.8Å; F746-F779 HydrophobicContact CZ-CE1 4.47Å; F746-F779 HydrophobicContact CZ-CG 4.44Å; F746-M782 HydrophobicContact CE1-CB 4.43Å; F746-F1034 HydrophobicContact CB-CD2 4.41Å; F746-F1034 HydrophobicContact CB-CE2 4.35Å; F746-F1037 HydrophobicContact CD1-CD2 4.02Å; F746-F1037 HydrophobicContact CD2-CB 3.76Å; F746-F1037 HydrophobicContact CD2-CD2 4.15Å; F746-F1037 HydrophobicContact CE1-CD2 4.07Å; F746-F1037 HydrophobicContact CE2-CB 3.47Å; F746-F1037 VanDerWaalsContact CE2-CB 3.47Å; F746-F1037 HydrophobicContact CE2-CD2 4.26Å; F746-F1037 HydrophobicContact CE2-CG 4.35Å; F746-F1037 HydrophobicContact CG-CB 4.49Å; F746-F1037 HydrophobicContact CG-CD2 4.05Å; F746-F1037 HydrophobicContact CZ-CB 3.91Å; F746-F1037 HydrophobicContact CZ-CD2 4.2Å; F746-F1037 HydrophobicContact CZ-CG 4.42Å; F746-M1038 HydrophobicContact CD2-CE 3.35Å; F746-M1038 HydrophobicContact CE2-CE 3.55Å; F746-M1041 HydrophobicContact CD2-CE 4.49Å; F746-M1041 HydrophobicContact CE1-CE 4.33Å; F746-M1041 HydrophobicContact CE2-CE 3.54Å; F746-M1041 HydrophobicContact CZ-CE 3.47Å; F746-M1041 VanDerWaalsContact CZ-CE 3.47Å
747L97.5Very high95.5Very high31 Ų3133.3 Ų33.316%0.16217%0.172CC..Hα-helixtrans-61.7-44.3173.4-73.5170.3000111.9G743 L744 T750 A751 Y780G743-L747 WeakPolarHBondContact O-CG 3.22Å; G743-L747 PolarHBondContact O-N 2.67Å; L744-L747 HydrophobicContact CD2-CD1 4.32Å; L744-L747 PolarHBondContact O-N 3.21Å; L747-T750 PolarHBondContact O-N 3.09Å; L747-A751 WeakPolarHBondContact O-CB 3.35Å; L747-A751 PolarHBondContact O-N 3.01Å; L747-Y780 HydrophobicContact CD2-CD1 4.07Å; L747-Y780 WeakPolarHBondContact CD2-O 3.4Å
748V96.6Very high95.1Very high91 Ų9136.7 Ų36.755%0.55218%0.182SC*.Hα-helixtrans-63.9-41.8176.11720000111.7L744 L745 A751 R752L744-V748 WeakPolarHBondContact O-CG2 3.05Å; L744-V748 PolarHBondContact O-N 3.43Å; L745-V748 PolarHBondContact O-N 2.99Å; V748-A751 PolarHBondContact O-N 2.92Å; V748-R752 WeakPolarHBondContact O-CB 3.2Å; V748-R752 PolarHBondContact O-N 3.37Å
749L96Very high94.7Very high13 Ų1344.5 Ų44.57%0.06821%0.211CC..Hα-helixtrans-64.1-43.1175.7-78.2171.7000112.2T305 I309 L745 F746 R752 R753 F1034 M1038T305-L749 HydrophobicContact CG2-CD1 4.2Å; T305-L749 HydrophobicContact CG2-CD2 3.66Å; T305-L749 HydrophobicContact CG2-CG 4.16Å; I309-L749 HydrophobicContact CD1-CD2 4.35Å; L745-L749 HydrophobicContact CG-CD1 4.24Å; L745-L749 WeakPolarHBondContact O-CB 3.47Å; L745-L749 WeakPolarHBondContact O-CG 3.35Å; L745-L749 PolarHBondContact O-N 3.04Å; F746-L749 PolarHBondContact O-N 3.25Å; L749-R752 PolarHBondContact O-N 2.89Å; L749-R753 WeakPolarHBondContact O-CB 3.4Å; L749-R753 PolarHBondContact O-N 3.32Å; L749-F1034 HydrophobicContact CD1-CE2 4.24Å; L749-F1034 HydrophobicContact CD1-CZ 3.97Å; L749-M1038 HydrophobicContact CB-CE 4.32Å; L749-M1038 HydrophobicContact CD1-CE 3.53Å; L749-M1038 HydrophobicContact CD1-SD 3.98Å
750T96Very high93.9Very high0 Ų047.5 Ų47.50%023%0.23CC..Hα-helixtrans-59.7-48174-600000110.7F746 L747 R752 R753 D754 Y776 F779 Y780 M1041F746-T750 WeakPolarHBondContact CE1-OG1 3.44Å; F746-T750 WeakPolarHBondContact O-CB 3.47Å; F746-T750 PolarHBondContact O-N 3.42Å; F746-T750 PolarHBondContact O-OG1 3.36Å; L747-T750 PolarHBondContact O-N 3.09Å; T750-R752 PolarHBondContact O-N 2.9Å; T750-R753 PolarHBondContact O-N 3.46Å; T750-D754 WeakPolarHBondContact O-CB 3.22Å; T750-D754 PolarHBondContact O-N 2.9Å; T750-Y776 HydrophobicContact CG2-CD1 4.04Å; T750-F779 HydrophobicContact CG2-CB 3.6Å; T750-Y780 HydrophobicContact CG2-CD1 3.74Å; T750-Y780 HydrophobicContact CG2-CD2 4.24Å; T750-Y780 HydrophobicContact CG2-CE1 3.73Å; T750-Y780 HydrophobicContact CG2-CE2 4.23Å; T750-Y780 HydrophobicContact CG2-CG 4.01Å; T750-M1041 WeakPolarHBondContact OG1-CE 3.48Å
751A96Very high93.2Very high30 Ų3047.8 Ų47.825%0.24823%0.229CC..Hα-helixtrans-60.6-45177.900000112.6L747 V748 R753 D754 I755 Y780L747-A751 WeakPolarHBondContact O-CB 3.35Å; L747-A751 PolarHBondContact O-N 3.01Å; V748-A751 PolarHBondContact O-N 2.92Å; A751-R753 VanDerWaalsContact C-N 3.3Å; A751-R753 PolarHBondContact O-N 3.08Å; A751-D754 PolarHBondContact O-N 2.95Å; A751-I755 WeakPolarHBondContact O-CB 3.24Å; A751-I755 WeakPolarHBondContact O-CD1 3.26Å; A751-I755 VanDerWaalsContact O-CG1 3.24Å; A751-I755 WeakPolarHBondContact O-CG1 3.17Å; A751-I755 PolarHBondContact O-N 3.24Å; A751-Y780 WeakPolarHBondContact CA-OH 3.28Å; A751-Y780 HydrophobicContact CB-CE1 4.12Å
752R94.5Very high92.4Very high78 Ų7852.7 Ų52.729%0.29426%0.256SS..Hα-helixtrans-57.4-43.6174.5174.6178.2170.6-103.4-1.8111.5V748 L749 T750 L756V748-R752 WeakPolarHBondContact O-CB 3.2Å; V748-R752 PolarHBondContact O-N 3.37Å; L749-R752 PolarHBondContact O-N 2.89Å; T750-R752 PolarHBondContact O-N 2.9Å; R752-L756 WeakPolarHBondContact O-CB 3.4Å; R752-L756 PolarHBondContact O-N 3.36Å
753R92.7Very high91.7Very high42 Ų4260 Ų6016%0.15829%0.294CS..Hα-helixtrans-73.3-38.1-176.6-160.1176158.81203.7112L749 T750 A751 L756 H757 Y776 M1041 D1045L749-R753 WeakPolarHBondContact O-CB 3.4Å; L749-R753 PolarHBondContact O-N 3.32Å; T750-R753 PolarHBondContact O-N 3.46Å; A751-R753 VanDerWaalsContact C-N 3.3Å; A751-R753 PolarHBondContact O-N 3.08Å; R753-L756 PolarHBondContact O-N 3.28Å; R753-H757 WeakPolarHBondContact O-CB 3.23Å; R753-H757 PolarHBondContact O-N 3.34Å; R753-Y776 HydrophobicContact CB-CE1 3.98Å; R753-Y776 HydrophobicContact CG-CE1 3.93Å; R753-M1041 VanDerWaalsContact CD-SD 3.59Å; R753-D1045 IonicContact CZ-OD1 3.61Å; R753-D1045 IonicContact CZ-OD2 3.51Å; R753-D1045 IonicContact NH1-OD1 3.66Å; R753-D1045 IonicContact NH1-OD2 2.83Å; R753-D1045 PolarHBondContact NH1-OD2 3.42Å; R753-D1045 IonicContact NH2-OD1 2.67Å; R753-D1045 PolarHBondContact NH2-OD1 3.01Å; R753-D1045 IonicContact NH2-OD2 3.25Å; R753-D1045 PolarHBondContact NH2-OD2 2.96Å
754D93.4Very high90.8Very high4 Ų463.9 Ų63.92%0.02132%0.315CS..Hα-helixtrans-61.4-50171.3-174.412.3000111.6T750 A751 L756 H757 R758 Y776 Y780T750-D754 WeakPolarHBondContact O-CB 3.22Å; T750-D754 PolarHBondContact O-N 2.9Å; A751-D754 PolarHBondContact O-N 2.95Å; D754-L756 VanDerWaalsContact C-N 3.32Å; D754-L756 PolarHBondContact O-N 2.98Å; D754-H757 PolarHBondContact O-N 3.26Å; D754-R758 WeakPolarHBondContact O-CG 3.22Å; D754-R758 PolarHBondContact O-N 2.91Å; D754-R758 IonicContact OD1-CZ 3.49Å; D754-R758 IonicContact OD1-NE 2.77Å; D754-R758 PolarHBondContact OD1-NE 3.38Å; D754-R758 IonicContact OD1-NH2 3.34Å; D754-R758 PolarHBondContact OD1-NH2 2.97Å; D754-R758 IonicContact OD2-CZ 3.53Å; D754-R758 IonicContact OD2-NE 3.52Å; D754-R758 IonicContact OD2-NH2 2.75Å; D754-R758 PolarHBondContact OD2-NH2 3.15Å; D754-Y776 HydrophobicContact CB-CD1 4.24Å; D754-Y776 HydrophobicContact CB-CD2 3.65Å; D754-Y776 HydrophobicContact CB-CE2 4.16Å; D754-Y776 HydrophobicContact CB-CG 3.71Å; D754-Y780 WeakPolarHBondContact CB-OH 3.36Å; D754-Y780 PolarHBondContact OD2-OH 2.99Å
755I91.6Very high89.6Confident86 Ų8664 Ų6444%0.44132%0.32SS..Hα-helixtrans-58.3-43.4176.9-68.7165000111.3A751 R759A751-I755 WeakPolarHBondContact O-CB 3.24Å; A751-I755 WeakPolarHBondContact O-CD1 3.26Å; A751-I755 VanDerWaalsContact O-CG1 3.24Å; A751-I755 WeakPolarHBondContact O-CG1 3.17Å; A751-I755 PolarHBondContact O-N 3.24Å; I755-R759 WeakPolarHBondContact O-CG 3.38Å; I755-R759 PolarHBondContact O-N 2.98Å; I755-R759 VanDerWaalsContact O-N 3.1Å
756L89.1Confident88.2Confident67 Ų6769.4 Ų69.435%0.35135%0.349SS..Hα-helixtrans-64-45.6177.1-17661.4000111.4R752 R753 D754 R758 R759 T760R752-L756 WeakPolarHBondContact O-CB 3.4Å; R752-L756 PolarHBondContact O-N 3.36Å; R753-L756 PolarHBondContact O-N 3.28Å; D754-L756 VanDerWaalsContact C-N 3.32Å; D754-L756 PolarHBondContact O-N 2.98Å; L756-R758 PolarHBondContact O-N 3.37Å; L756-R759 WeakPolarHBondContact O-CB 3.47Å; L756-R759 PolarHBondContact O-N 3.25Å; L756-T760 PolarHBondContact O-N 3.01Å; L756-T760 PolarHBondContact O-OG1 3.25Å
757H87.5Confident86.8Confident50 Ų5071 Ų7123%0.23136%0.36CS..Hα-helixtrans-59.6-45.2177.8-178.866.4000112.2R753 D754 R759 T760 K761 Y776R753-H757 WeakPolarHBondContact O-CB 3.23Å; R753-H757 PolarHBondContact O-N 3.34Å; D754-H757 PolarHBondContact O-N 3.26Å; H757-R759 VanDerWaalsContact C-N 3.34Å; H757-R759 PolarHBondContact O-N 2.9Å; H757-T760 PolarHBondContact O-N 2.83Å; H757-K761 WeakPolarHBondContact O-CB 3.14Å; H757-K761 PolarHBondContact O-N 2.96Å; H757-Y776 HydrophobicContact CB-CE2 3.85Å
758R87.3Confident85.4Confident121 Ų12173.8 Ų73.846%0.45737%0.372SS..Hα-helixtrans-60.7-40.9175.8-67.4-179.9-163.2-152.112.4112.1D754 L756 K761 N762D754-R758 WeakPolarHBondContact O-CG 3.22Å; D754-R758 PolarHBondContact O-N 2.91Å; D754-R758 IonicContact OD1-CZ 3.49Å; D754-R758 IonicContact OD1-NE 2.77Å; D754-R758 PolarHBondContact OD1-NE 3.38Å; D754-R758 IonicContact OD1-NH2 3.34Å; D754-R758 PolarHBondContact OD1-NH2 2.97Å; D754-R758 IonicContact OD2-CZ 3.53Å; D754-R758 IonicContact OD2-NE 3.52Å; D754-R758 IonicContact OD2-NH2 2.75Å; D754-R758 PolarHBondContact OD2-NH2 3.15Å; L756-R758 PolarHBondContact O-N 3.37Å; R758-K761 PolarHBondContact O-N 3.43Å; R758-N762 VanDerWaalsContact O-CG 3.28Å; R758-N762 PolarHBondContact O-N 2.86Å; R758-N762 PolarHBondContact O-OD1 3.46Å
759R87.3Confident84.4Confident164 Ų16474 Ų7462%0.61937%0.374SS*.Hα-helixtrans-62.2-47.6175.1-72.8174.1-179.2-175.81.4112I755 L756 H757 K761 N762 L763I755-R759 WeakPolarHBondContact O-CG 3.38Å; I755-R759 PolarHBondContact O-N 2.98Å; I755-R759 VanDerWaalsContact O-N 3.1Å; L756-R759 WeakPolarHBondContact O-CB 3.47Å; L756-R759 PolarHBondContact O-N 3.25Å; H757-R759 VanDerWaalsContact C-N 3.34Å; H757-R759 PolarHBondContact O-N 2.9Å; R759-K761 VanDerWaalsContact C-N 3.32Å; R759-K761 PolarHBondContact O-N 2.87Å; R759-N762 PolarHBondContact O-N 3.29Å; R759-L763 PolarHBondContact O-N 3.24Å
760T82.7Confident83.7Confident69 Ų6976.9 Ų76.942%0.42339%0.388SS..Hα-helixtrans-61-41.5177.4-56.90000111.8L756 H757 N762 L763 N764L756-T760 PolarHBondContact O-N 3.01Å; L756-T760 PolarHBondContact O-OG1 3.25Å; H757-T760 PolarHBondContact O-N 2.83Å; T760-N762 PolarHBondContact O-N 3.47Å; T760-L763 PolarHBondContact O-N 3.41Å; T760-N764 PolarHBondContact O-N 3.43Å
761K81.6Confident83.2Confident41 Ų4177 Ų7718%0.17839%0.39CS..Hα-helixtrans-62.1-40.7177.2-173.6-178.4179.5-178.20112.7H757 R758 R759 N764 Q768H757-K761 WeakPolarHBondContact O-CB 3.14Å; H757-K761 PolarHBondContact O-N 2.96Å; R758-K761 PolarHBondContact O-N 3.43Å; R759-K761 VanDerWaalsContact C-N 3.32Å; R759-K761 PolarHBondContact O-N 2.87Å; K761-N764 CarbonylContact O-C 3.59Å; K761-Q768 HydrophobicContact CG-CG 4.27Å
762N81.8Confident82.7Confident138 Ų13876.2 Ų76.274%0.73838%0.382SS*.Hα-helixtrans-71.6-33.7178-69.35.9000112.5R758 R759 T760R758-N762 VanDerWaalsContact O-CG 3.28Å; R758-N762 PolarHBondContact O-N 2.86Å; R758-N762 PolarHBondContact O-OD1 3.46Å; R759-N762 PolarHBondContact O-N 3.29Å; T760-N762 PolarHBondContact O-N 3.47Å
763L83.5Confident82.2Confident153 Ų15373 Ų7380%0.80137%0.371SS*.Hα-helixtrans-74.8-34.8177.1-81.9159.7000113.2R759 T760R759-L763 PolarHBondContact O-N 3.24Å; T760-L763 PolarHBondContact O-N 3.41Å
764N78Confident81.8Confident83 Ų8372.9 Ų72.944%0.44437%0.372SS..  trans-139.595.4-178.6-173.5-15000110.5T760 K761 N766 S767T760-N764 PolarHBondContact O-N 3.43Å; K761-N764 CarbonylContact O-C 3.59Å; N764-N766 PolarHBondContact O-N 3.16Å; N764-N766 WeakPolarHBondContact OD1-CB 3.49Å; N764-N766 PolarHBondContact OD1-N 3.22Å; N764-N766 VanDerWaalsContact OD1-N 3.14Å; N764-S767 VanDerWaalsContact O-CB 3.25Å; N764-S767 WeakPolarHBondContact O-CB 3.12Å; N764-S767 PolarHBondContact O-N 3.4Å; N764-S767 VanDerWaalsContact O-N 3.09Å; N764-S767 PolarHBondContact O-OG 3.01Å
765P73.3Confident81.5Confident77 Ų7772.7 Ų72.750%0.537%0.371SS..G310 helixtrans-63.7-26.2-178.924.5-33.4000113.1S767 Q768P765-S767 PolarHBondContact O-N 3.48Å; P765-Q768 WeakPolarHBondContact O-CB 3.3Å; P765-Q768 VanDerWaalsContact O-CG 3.31Å; P765-Q768 WeakPolarHBondContact O-CG 3.27Å; P765-Q768 PolarHBondContact O-N 3.34Å; P765-Q768 VanDerWaalsContact O-N 3.12Å
766N68.8Low81.5Confident120 Ų12068.9 Ų68.964%0.64235%0.351SS*.G310 helixtrans-66.2-18.4176.8-65.2-11.4000112.6N764 Q768 V769 L770N764-N766 PolarHBondContact O-N 3.16Å; N764-N766 WeakPolarHBondContact OD1-CB 3.49Å; N764-N766 PolarHBondContact OD1-N 3.22Å; N764-N766 VanDerWaalsContact OD1-N 3.14Å; N766-Q768 PolarHBondContact O-N 3.37Å; N766-V769 PolarHBondContact O-N 2.89Å; N766-V769 VanDerWaalsContact O-N 3.15Å; N766-L770 WeakPolarHBondContact O-CD1 3.43Å
767S67.2Low81.7Confident33 Ų3365.8 Ų65.823%0.23134%0.336CS..G310 helixtrans-57.3-1817167.20000113.5N764 P765 V769 L770N764-S767 VanDerWaalsContact O-CB 3.25Å; N764-S767 WeakPolarHBondContact O-CB 3.12Å; N764-S767 PolarHBondContact O-N 3.4Å; N764-S767 VanDerWaalsContact O-N 3.09Å; N764-S767 PolarHBondContact O-OG 3.01Å; P765-S767 PolarHBondContact O-N 3.48Å; S767-V769 PolarHBondContact O-N 3.49Å; S767-L770 PolarHBondContact O-N 3.33Å
768Q69.2Low82Confident89 Ų8963.4 Ų63.442%0.41632%0.324SS..G310 helixtrans-65.3-13.1175.7-67.6-174.558.700114.7K761 P765 N766 R1052K761-Q768 HydrophobicContact CG-CG 4.27Å; P765-Q768 WeakPolarHBondContact O-CB 3.3Å; P765-Q768 VanDerWaalsContact O-CG 3.31Å; P765-Q768 WeakPolarHBondContact O-CG 3.27Å; P765-Q768 PolarHBondContact O-N 3.34Å; P765-Q768 VanDerWaalsContact O-N 3.12Å; N766-Q768 PolarHBondContact O-N 3.37Å; Q768-R1052 PolarHBondContact O-NH1 3.16Å; Q768-R1052 VanDerWaalsContact O-NH1 3.13Å; Q768-R1052 PolarHBondContact O-NH2 2.97Å
769V74.7Confident82.5Confident96 Ų9657.7 Ų57.758%0.58230%0.303SS*.G310 helixtrans-101.2-10179.8-160.40000112.6N766 S767 R1052N766-V769 PolarHBondContact O-N 2.89Å; N766-V769 VanDerWaalsContact O-N 3.15Å; S767-V769 PolarHBondContact O-N 3.49Å; V769-R1052 WeakPolarHBondContact O-CG 3.46Å; V769-R1052 PolarHBondContact O-N 3.4Å
770L82.3Confident83Confident73 Ų7351.7 Ų51.738%0.38228%0.281SS..BIsolated β-bridgetrans-102.8150179.6-59.7108.6000111.7N766 S767 K1049N766-L770 WeakPolarHBondContact O-CD1 3.43Å; S767-L770 PolarHBondContact O-N 3.33Å; L770-K1049 VanDerWaalsContact CD2-O 3.31Å; L770-K1049 WeakPolarHBondContact CD2-O 3.37Å
771G84.8Confident83.6Confident4 Ų448.4 Ų48.44%0.04126%0.26CS..SBendtrans63.4175.9177.700000114.9L1047 R1050 R1052G771-L1047 WeakPolarHBondContact CA-O 3.39Å; G771-R1050 PolarHBondContact N-O 3.31Å; G771-R1052 WeakPolarHBondContact O-CG 3.42Å; G771-R1052 PolarHBondContact O-NE 3.45Å
772I85.6Confident84.4Confident13 Ų1346.4 Ų46.47%0.06725%0.252CS..SBendtrans-68.5132.9173.9-62.2-179.3000109.2Q774 T826 D1044 L1047 I1055I772-Q774 PolarHBondContact O-N 2.98Å; I772-Q774 VanDerWaalsContact O-N 3.13Å; I772-Q774 PolarHBondContact O-NE2 3.05Å; I772-T826 HydrophobicContact CD1-CG2 3.82Å; I772-T826 HydrophobicContact CG2-CG2 4.19Å; I772-T826 WeakPolarHBondContact CG2-O 3.48Å; I772-D1044 HydrophobicContact CD1-CB 3.82Å; I772-L1047 HydrophobicContact CD1-CD1 3.88Å; I772-L1047 HydrophobicContact CG1-CD1 4.27Å; I772-I1055 HydrophobicContact CG1-CD1 4.35Å
773P84.1Confident85.1Confident11 Ų1139.9 Ų39.97%0.07122%0.217CC..  trans-61.6114.8177.525-33.3000111.3P829P773-P829 HydrophobicContact CG-CB 3.69Å; P773-P829 HydrophobicContact CG-CG 3.59Å
774Q84.5Confident85.8Confident38 Ų3833.8 Ų33.818%0.17819%0.185CC..  trans-83.7120.6-176.1-63.8-61.7-37.100111Y669 I772 Y776Y669-Q774 WeakPolarHBondContact CE2-O 3.37Å; Y669-Q774 PolarHBondContact OH-O 3.34Å; I772-Q774 PolarHBondContact O-N 2.98Å; I772-Q774 VanDerWaalsContact O-N 3.13Å; I772-Q774 PolarHBondContact O-NE2 3.05Å; Q774-Y776 HydrophobicContact CB-CE2 3.9Å
775H87.3Confident86.7Confident1 Ų129.8 Ų29.81%0.00516%0.164CC..  trans-124.1120.7168.9-62.5-75.3000109.4Y669 L672 Y676Y669-H775 AromaticContact CD2-CE1 3.42Å; Y669-H775 VanDerWaalsContact CD2-CE1 3.42Å; Y669-H775 WeakPolarHBondContact CD2-CE1 3.22Å; Y669-H775 AromaticContact CE2-CE1 3.49Å; Y669-H775 VanDerWaalsContact CE2-CE1 3.49Å; Y669-H775 WeakPolarHBondContact CE2-CE1 3.45Å; Y669-H775 AromaticContact CE2-ND1 3.81Å; Y669-H775 AromaticContact CG-CE1 3.94Å; L672-H775 WeakPolarHBondContact CD2-NE2 3.35Å; Y676-H775 HydrophobicContact CD2-CB 3.48Å; Y676-H775 VanDerWaalsContact CD2-CB 3.48Å; Y676-H775 AromaticContact CD2-CD2 3.87Å; Y676-H775 AromaticContact CD2-CG 3.55Å; Y676-H775 HydrophobicContact CE2-CB 4.14Å; Y676-H775 AromaticContact CE2-CD2 3.79Å; Y676-H775 AromaticContact CE2-CG 3.97Å; Y676-H775 HydrophobicContact CG-CB 4.18Å
776Y91.6Very high87.9Confident5 Ų526.1 Ų26.12%0.0214%0.14CC..  trans-89.9-11.9-172.7-65.4-83.5000113.9T750 R753 D754 H757 Q774 L778 F779 Y780T750-Y776 HydrophobicContact CG2-CD1 4.04Å; R753-Y776 HydrophobicContact CB-CE1 3.98Å; R753-Y776 HydrophobicContact CG-CE1 3.93Å; D754-Y776 HydrophobicContact CB-CD1 4.24Å; D754-Y776 HydrophobicContact CB-CD2 3.65Å; D754-Y776 HydrophobicContact CB-CE2 4.16Å; D754-Y776 HydrophobicContact CB-CG 3.71Å; H757-Y776 HydrophobicContact CB-CE2 3.85Å; Q774-Y776 HydrophobicContact CB-CE2 3.9Å; Y776-L778 VanDerWaalsContact C-N 3.28Å; Y776-L778 PolarHBondContact O-N 2.83Å; Y776-F779 AromaticContact CD1-CD2 3.95Å; Y776-F779 HydrophobicContact CD1-CD2 3.95Å; Y776-F779 HydrophobicContact CE1-CD2 4.48Å; Y776-F779 WeakPolarHBondContact O-CA 3.38Å; Y776-F779 WeakPolarHBondContact O-CB 3.49Å; Y776-F779 PolarHBondContact O-N 3.1Å; Y776-Y780 WeakPolarHBondContact O-CD2 3.18Å; Y776-Y780 PolarHBondContact O-N 3.27Å
777G93.4Very high89.3Confident2 Ų221.3 Ų21.32%0.02112%0.115CC..Hα-helixtrans-51.3-43.2-179.300000114Y676 Y780 A781Y676-G777 CarbonylContact O-C 3.45Å; Y676-G777 WeakPolarHBondContact O-CA 3.37Å; G777-Y780 PolarHBondContact O-N 3.35Å; G777-A781 PolarHBondContact O-N 3.23Å
778L93.9Very high90.7Very high0 Ų020.8 Ų20.80%011%0.109CC..Hα-helixtrans-74.8-30.3178.6-162.461.5000113Y679 Y776 A781 M782 L818 L821 K822Y679-L778 HydrophobicContact CD1-CD1 3.85Å; Y679-L778 HydrophobicContact CD2-CD1 4.37Å; Y679-L778 HydrophobicContact CE1-CD1 4.32Å; Y679-L778 HydrophobicContact CG-CD1 3.87Å; Y776-L778 VanDerWaalsContact C-N 3.28Å; Y776-L778 PolarHBondContact O-N 2.83Å; L778-A781 HydrophobicContact CD1-CB 4.48Å; L778-A781 PolarHBondContact O-N 3.43Å; L778-M782 VanDerWaalsContact O-CG 3.3Å; L778-M782 WeakPolarHBondContact O-CG 3.46Å; L778-M782 PolarHBondContact O-N 3.39Å; L778-L818 HydrophobicContact CD1-CD2 3.55Å; L778-L821 HydrophobicContact CD2-CB 4.12Å; L778-K822 HydrophobicContact CB-CD 4.39Å; L778-K822 HydrophobicContact CD2-CB 3.78Å; L778-K822 HydrophobicContact CD2-CD 4.17Å; L778-K822 HydrophobicContact CG-CB 4.27Å; L778-K822 HydrophobicContact CG-CD 4.46Å
779F96.4Very high91.9Very high2 Ų216.9 Ų16.91%0.0099%0.091CC..Hα-helixtrans-67.7-40.2170.5-73.9-55.9000111.5F746 T750 Y776 A781 M782 G783 K822 I1040 M1041F746-F779 HydrophobicContact CE1-CB 4.19Å; F746-F779 HydrophobicContact CE1-CD1 4.28Å; F746-F779 WeakPolarHBondContact CE1-O 3.4Å; F746-F779 HydrophobicContact CZ-CB 4.4Å; F746-F779 AromaticContact CZ-CD1 3.8Å; F746-F779 HydrophobicContact CZ-CD1 3.8Å; F746-F779 HydrophobicContact CZ-CE1 4.47Å; F746-F779 HydrophobicContact CZ-CG 4.44Å; T750-F779 HydrophobicContact CG2-CB 3.6Å; Y776-F779 AromaticContact CD1-CD2 3.95Å; Y776-F779 HydrophobicContact CD1-CD2 3.95Å; Y776-F779 HydrophobicContact CE1-CD2 4.48Å; Y776-F779 WeakPolarHBondContact O-CA 3.38Å; Y776-F779 WeakPolarHBondContact O-CB 3.49Å; Y776-F779 PolarHBondContact O-N 3.1Å; F779-A781 VanDerWaalsContact C-N 3.3Å; F779-A781 PolarHBondContact O-N 2.88Å; F779-M782 HydrophobicContact CD1-SD 4.04Å; F779-M782 PolarHBondContact O-N 2.97Å; F779-G783 PolarHBondContact O-N 3.35Å; F779-K822 HydrophobicContact CD1-CD 4.12Å; F779-K822 HydrophobicContact CD1-CG 4.36Å; F779-K822 HydrophobicContact CE1-CD 3.85Å; F779-K822 HydrophobicContact CE1-CG 3.96Å; F779-K822 HydrophobicContact CE2-CD 4.29Å; F779-K822 HydrophobicContact CG-CD 4.46Å; F779-K822 HydrophobicContact CZ-CD 3.95Å; F779-K822 VanDerWaalsContact CZ-CE 3.41Å; F779-K822 HydrophobicContact CZ-CG 4.4Å; F779-I1040 HydrophobicContact CE1-CG2 4.07Å; F779-I1040 HydrophobicContact CZ-CG2 4.49Å; F779-M1041 HydrophobicContact CD1-CE 4.35Å; F779-M1041 HydrophobicContact CE1-CB 4.27Å; F779-M1041 HydrophobicContact CG-CE 4.33Å; F779-M1041 HydrophobicContact CZ-CB 4.2Å; F779-M1041 HydrophobicContact CZ-CG 4.37Å
780Y97.5Very high93Very high37 Ų3712.4 Ų12.415%0.1456%0.064CC..Hα-helixtrans-61-41171.9-66.7-67.3000111.3F680 L747 T750 A751 D754 Y776 G777 G783 L784F680-Y780 WeakPolarHBondContact CD2-O 3.37Å; L747-Y780 HydrophobicContact CD2-CD1 4.07Å; L747-Y780 WeakPolarHBondContact CD2-O 3.4Å; T750-Y780 HydrophobicContact CG2-CD1 3.74Å; T750-Y780 HydrophobicContact CG2-CD2 4.24Å; T750-Y780 HydrophobicContact CG2-CE1 3.73Å; T750-Y780 HydrophobicContact CG2-CE2 4.23Å; T750-Y780 HydrophobicContact CG2-CG 4.01Å; A751-Y780 WeakPolarHBondContact CA-OH 3.28Å; A751-Y780 HydrophobicContact CB-CE1 4.12Å; D754-Y780 WeakPolarHBondContact CB-OH 3.36Å; D754-Y780 PolarHBondContact OD2-OH 2.99Å; Y776-Y780 WeakPolarHBondContact O-CD2 3.18Å; Y776-Y780 PolarHBondContact O-N 3.27Å; G777-Y780 PolarHBondContact O-N 3.35Å; Y780-G783 PolarHBondContact O-N 3.4Å; Y780-L784 WeakPolarHBondContact O-CB 3.46Å; Y780-L784 PolarHBondContact O-N 3.04Å
781A97.2Very high93.6Very high0 Ų012.8 Ų12.80%07%0.066CC..Hα-helixtrans-61.6-44.4174.200000112.3F680 L683 G777 L778 F779 G783 L784 A785 L818F680-A781 HydrophobicContact CB-CB 4.46Å; L683-A781 HydrophobicContact CD2-CB 4.49Å; L683-A781 VanDerWaalsContact CD2-O 3.23Å; L683-A781 WeakPolarHBondContact CD2-O 3.43Å; G777-A781 PolarHBondContact O-N 3.23Å; L778-A781 HydrophobicContact CD1-CB 4.48Å; L778-A781 PolarHBondContact O-N 3.43Å; F779-A781 VanDerWaalsContact C-N 3.3Å; F779-A781 PolarHBondContact O-N 2.88Å; A781-G783 PolarHBondContact O-N 3.23Å; A781-L784 PolarHBondContact O-N 3.08Å; A781-A785 WeakPolarHBondContact O-CB 3.34Å; A781-A785 PolarHBondContact O-N 3.15Å; A781-L818 HydrophobicContact CB-CD1 4.28Å; A781-L818 HydrophobicContact CB-CD2 4.19Å
782M97.2Very high94.1Very high0 Ų012.6 Ų12.60%06%0.064CC..Hα-helixtrans-60.1-44.8175.4-71167.961.500112.6F746 L778 F779 A785 L786 L818 V819 K822 F1037F746-M782 HydrophobicContact CE1-CB 4.43Å; L778-M782 VanDerWaalsContact O-CG 3.3Å; L778-M782 WeakPolarHBondContact O-CG 3.46Å; L778-M782 PolarHBondContact O-N 3.39Å; F779-M782 HydrophobicContact CD1-SD 4.04Å; F779-M782 PolarHBondContact O-N 2.97Å; M782-A785 PolarHBondContact O-N 3.4Å; M782-L786 PolarHBondContact O-N 3.39Å; M782-L818 HydrophobicContact CG-CB 4Å; M782-V819 HydrophobicContact CE-CG2 4.05Å; M782-K822 HydrophobicContact SD-CB 3.71Å; M782-K822 HydrophobicContact SD-CD 4.47Å; M782-K822 HydrophobicContact SD-CG 3.73Å; M782-F1037 HydrophobicContact CB-CD2 4.41Å; M782-F1037 HydrophobicContact CB-CE2 3.86Å; M782-F1037 HydrophobicContact CB-CZ 4.07Å; M782-F1037 HydrophobicContact CE-CD1 3.57Å; M782-F1037 HydrophobicContact CE-CD2 4.19Å; M782-F1037 HydrophobicContact CE-CE1 3.67Å; M782-F1037 HydrophobicContact CE-CE2 4.26Å; M782-F1037 HydrophobicContact CE-CG 3.85Å; M782-F1037 HydrophobicContact CE-CZ 4Å; M782-F1037 WeakPolarHBondContact O-CE2 3.35Å
783G97.6Very high94.5Very high0 Ų012 Ų120%06%0.061CC..Hα-helixtrans-64.9-39.7178.200000113.4F779 Y780 A781 L786 T787F779-G783 PolarHBondContact O-N 3.35Å; Y780-G783 PolarHBondContact O-N 3.4Å; A781-G783 PolarHBondContact O-N 3.23Å; G783-L786 PolarHBondContact O-N 2.93Å; G783-T787 PolarHBondContact O-N 2.93Å; G783-T787 VanDerWaalsContact O-N 3.08Å; G783-T787 PolarHBondContact O-OG1 3.31Å
784L97.8Very high95Very high25 Ų2512 Ų1213%0.1316%0.061CC..Hα-helixtrans-67.2-42173.8177.862.6000111.7F680 L683 I684 Y780 A781 L786 T787 M788F680-L784 HydrophobicContact CD2-CB 4.2Å; F680-L784 HydrophobicContact CD2-CD2 3.94Å; F680-L784 HydrophobicContact CE2-CB 4.02Å; F680-L784 HydrophobicContact CE2-CD2 3.85Å; F680-L784 HydrophobicContact CE2-CG 4.48Å; L683-L784 HydrophobicContact CB-CD2 4.11Å; L683-L784 HydrophobicContact CD2-CB 4.13Å; L683-L784 HydrophobicContact CD2-CD2 4.08Å; L683-L784 HydrophobicContact CD2-CG 4.05Å; L683-L784 HydrophobicContact CG-CD2 4.03Å; L683-L784 HydrophobicContact CG-CG 4.33Å; I684-L784 HydrophobicContact CB-CD2 4.42Å; I684-L784 HydrophobicContact CD1-CD2 4.46Å; I684-L784 HydrophobicContact CG1-CD2 3.43Å; I684-L784 VanDerWaalsContact CG1-CD2 3.43Å; Y780-L784 WeakPolarHBondContact O-CB 3.46Å; Y780-L784 PolarHBondContact O-N 3.04Å; A781-L784 PolarHBondContact O-N 3.08Å; L784-L786 VanDerWaalsContact C-N 3.31Å; L784-L786 PolarHBondContact O-N 2.91Å; L784-T787 WeakPolarHBondContact O-CB 3.28Å; L784-T787 PolarHBondContact O-N 3.36Å; L784-T787 VanDerWaalsContact O-N 3.15Å; L784-M788 HydrophobicContact CD1-CG 4.12Å; L784-M788 HydrophobicContact CG-CG 4.45Å; L784-M788 WeakPolarHBondContact O-CB 3.49Å; L784-M788 WeakPolarHBondContact O-CG 3.44Å; L784-M788 PolarHBondContact O-N 3.43Å
785A97.5Very high95.4Very high0 Ų010.5 Ų10.50%06%0.055CC..Hα-helixtrans-58.6-43.417600000111.3L683 A781 M782 T787 M788 E789 L815 L818L683-A785 HydrophobicContact CD2-CB 3.8Å; A781-A785 WeakPolarHBondContact O-CB 3.34Å; A781-A785 PolarHBondContact O-N 3.15Å; M782-A785 PolarHBondContact O-N 3.4Å; A785-T787 VanDerWaalsContact C-N 3.33Å; A785-T787 PolarHBondContact O-N 3.46Å; A785-M788 PolarHBondContact O-N 3.4Å; A785-E789 WeakPolarHBondContact O-CB 3.43Å; A785-E789 PolarHBondContact O-N 2.94Å; A785-L815 HydrophobicContact CB-CD2 3.57Å; A785-L815 HydrophobicContact CB-CG 3.94Å; A785-L818 HydrophobicContact CB-CD1 3.8Å
786L97.7Very high95.7Very high0 Ų011.5 Ų11.50%06%0.059CC..Hα-helixtrans-67.1-33.7176.9-166.468.4000112.5Y739 M782 G783 L784 G790 L815 M1033 F1037Y739-L786 CarbonylContact C-O 3.49Å; Y739-L786 HydrophobicContact CD1-CD1 3.73Å; Y739-L786 HydrophobicContact CD1-CG 4.42Å; Y739-L786 HydrophobicContact CE1-CD1 4.35Å; M782-L786 PolarHBondContact O-N 3.39Å; G783-L786 PolarHBondContact O-N 2.93Å; L784-L786 VanDerWaalsContact C-N 3.31Å; L784-L786 PolarHBondContact O-N 2.91Å; L786-G790 PolarHBondContact O-N 2.82Å; L786-L815 HydrophobicContact CB-CD2 4.39Å; L786-L815 HydrophobicContact CD1-CD1 4.49Å; L786-M1033 HydrophobicContact CD1-CB 3.79Å; L786-M1033 HydrophobicContact CD1-CE 4.17Å; L786-M1033 HydrophobicContact CD1-CG 4.26Å; L786-M1033 HydrophobicContact CD2-CB 4.46Å; L786-F1037 HydrophobicContact CB-CE2 3.95Å; L786-F1037 HydrophobicContact CB-CZ 4.47Å; L786-F1037 HydrophobicContact CD2-CD2 4.2Å; L786-F1037 HydrophobicContact CD2-CE2 3.92Å; L786-F1037 HydrophobicContact CG-CE2 4.4Å
787T97.5Very high95.7Very high19 Ų1912 Ų1212%0.1176%0.061CC..Hα-helixtrans-68.1-40.6174.7-51.70000111.2V740 L744 G783 L784 A785 L791V740-T787 HydrophobicContact CG1-CG2 4.05Å; L744-T787 HydrophobicContact CD2-CG2 4.25Å; L744-T787 HydrophobicContact CG-CG2 4.14Å; G783-T787 PolarHBondContact O-N 2.93Å; G783-T787 VanDerWaalsContact O-N 3.08Å; G783-T787 PolarHBondContact O-OG1 3.31Å; L784-T787 WeakPolarHBondContact O-CB 3.28Å; L784-T787 PolarHBondContact O-N 3.36Å; L784-T787 VanDerWaalsContact O-N 3.15Å; A785-T787 VanDerWaalsContact C-N 3.33Å; A785-T787 PolarHBondContact O-N 3.46Å; T787-L791 PolarHBondContact O-N 2.9Å
788M96.2Very high95.5Very high21 Ų2112.5 Ų12.510%0.1036%0.064CC..Hα-helixtrans-76.5-33.2-179.2-73.8-61.6-48.300113.4S687 L784 A785 G790 L791 M792 Y811S687-M788 WeakPolarHBondContact OG-CG 3.28Å; L784-M788 HydrophobicContact CD1-CG 4.12Å; L784-M788 HydrophobicContact CG-CG 4.45Å; L784-M788 WeakPolarHBondContact O-CB 3.49Å; L784-M788 WeakPolarHBondContact O-CG 3.44Å; L784-M788 PolarHBondContact O-N 3.43Å; A785-M788 PolarHBondContact O-N 3.4Å; M788-G790 VanDerWaalsContact C-N 3.34Å; M788-G790 PolarHBondContact O-N 3.05Å; M788-L791 HydrophobicContact CE-CD2 4.02Å; M788-L791 PolarHBondContact O-N 3.17Å; M788-L791 HydrophobicContact SD-CD2 4.2Å; M788-M792 HydrophobicContact CE-CE 4.06Å; M788-M792 HydrophobicContact CE-CG 4.24Å; M788-M792 WeakPolarHBondContact O-CG 3.37Å; M788-M792 PolarHBondContact O-N 3.05Å; M788-Y811 HydrophobicContact CB-CD1 3.7Å; M788-Y811 HydrophobicContact CB-CE1 3.28Å; M788-Y811 HydrophobicContact CB-CE2 4.43Å; M788-Y811 HydrophobicContact CB-CG 4.42Å; M788-Y811 HydrophobicContact CG-CE1 4.05Å
789E96.1Very high95.4Very high8 Ų812.5 Ų12.54%0.0376%0.064CC..Hα-helixtrans-49.5-55.7166.6179.291.3143.700110.1Y739 A785 L791 M792 S793 Y811 M812 L815Y739-E789 HydrophobicContact CD1-CG 4.29Å; Y739-E789 HydrophobicContact CE1-CG 4.34Å; A785-E789 WeakPolarHBondContact O-CB 3.43Å; A785-E789 PolarHBondContact O-N 2.94Å; E789-L791 PolarHBondContact O-N 3.3Å; E789-M792 PolarHBondContact O-N 3.47Å; E789-S793 WeakPolarHBondContact O-CB 3.29Å; E789-S793 PolarHBondContact O-N 3.38Å; E789-Y811 WeakPolarHBondContact OE2-CB 3.27Å; E789-M812 VanDerWaalsContact OE1-CG 3.28Å; E789-M812 WeakPolarHBondContact OE1-CG 3.28Å; E789-M812 PolarHBondContact OE2-N 2.89Å; E789-L815 HydrophobicContact CB-CD1 3.87Å; E789-L815 HydrophobicContact CG-CD1 3.96Å
790G96.5Very high95.2Very high1 Ų112.7 Ų12.71%0.017%0.065CC..Hα-helixtrans-58.3-35.5179.500000113.8L786 M788 A794L786-G790 PolarHBondContact O-N 2.82Å; M788-G790 VanDerWaalsContact C-N 3.34Å; M788-G790 PolarHBondContact O-N 3.05Å; G790-A794 VanDerWaalsContact O-CB 3.28Å; G790-A794 WeakPolarHBondContact O-CB 3.44Å; G790-A794 PolarHBondContact O-N 3.28Å
791L95.6Very high94.7Very high82 Ų8211.3 Ų11.343%0.4296%0.06SC..Hα-helixtrans-72.9-43.9177.2-176.263000112.2T787 M788 E789 C795T787-L791 PolarHBondContact O-N 2.9Å; M788-L791 HydrophobicContact CE-CD2 4.02Å; M788-L791 PolarHBondContact O-N 3.17Å; M788-L791 HydrophobicContact SD-CD2 4.2Å; E789-L791 PolarHBondContact O-N 3.3Å; L791-C795 PolarHBondContact O-N 2.72Å; L791-C795 VanDerWaalsContact O-N 3.08Å; L791-C795 PolarHBondContact O-SG 3.47Å
792M94.8Very high94.1Very high0 Ų014.3 Ų14.30%07%0.073CC..Hα-helixtrans-78.5-35.5-176.8-63.6-69.4100.200112.8Y690 A694 V695 M788 E789 C795 Y796 F807 Y811Y690-M792 HydrophobicContact CD1-SD 4.01Å; Y690-M792 HydrophobicContact CE1-SD 4.18Å; A694-M792 HydrophobicContact CB-SD 4.18Å; V695-M792 HydrophobicContact CG2-CE 4.46Å; M788-M792 HydrophobicContact CE-CE 4.06Å; M788-M792 HydrophobicContact CE-CG 4.24Å; M788-M792 WeakPolarHBondContact O-CG 3.37Å; M788-M792 PolarHBondContact O-N 3.05Å; E789-M792 PolarHBondContact O-N 3.47Å; M792-C795 CarbonylContact O-C 3.43Å; M792-C795 WeakPolarHBondContact O-CB 3.37Å; M792-C795 PolarHBondContact O-N 3.1Å; M792-C795 VanDerWaalsContact O-N 3.15Å; M792-Y796 PolarHBondContact O-N 3.4Å; M792-F807 WeakPolarHBondContact CB-O 3.31Å; M792-Y811 HydrophobicContact CB-CD2 4.26Å; M792-Y811 HydrophobicContact CG-CD2 3.76Å; M792-Y811 HydrophobicContact CG-CE2 3.72Å
793S95Very high93.5Very high0 Ų017.7 Ų17.70%010%0.097CC..Hα-helixtrans-61.1-43.3170.3-169.30000111.2N736 E789 C795 Y796 H797 D808 H1026N736-S793 VanDerWaalsContact OD1-CB 3.31Å; N736-S793 WeakPolarHBondContact OD1-CB 3.42Å; N736-S793 PolarHBondContact OD1-OG 3.18Å; N736-S793 VanDerWaalsContact OD1-OG 3.11Å; E789-S793 WeakPolarHBondContact O-CB 3.29Å; E789-S793 PolarHBondContact O-N 3.38Å; S793-C795 PolarHBondContact O-N 2.98Å; S793-Y796 PolarHBondContact O-N 3.05Å; S793-H797 PolarHBondContact O-CD2 2.68Å; S793-H797 VanDerWaalsContact O-CD2 3.28Å; S793-H797 PolarHBondContact O-N 3.49Å; S793-D808 VanDerWaalsContact CB-OD1 3.28Å; S793-D808 WeakPolarHBondContact CB-OD1 3.46Å; S793-D808 VanDerWaalsContact CB-OD2 3.28Å; S793-D808 WeakPolarHBondContact CB-OD2 3.47Å; S793-D808 PolarHBondContact OG-OD1 3.1Å; S793-D808 PolarHBondContact OG-OD2 2.98Å; S793-H1026 PolarHBondContact OG-CE1 3.09Å; S793-H1026 VanDerWaalsContact OG-CE1 3.25Å
794A93.9Very high93Very high10 Ų1017.7 Ų17.78%0.08310%0.097CC..Hα-helixtrans-59.1-45.3170.100000111.8I733 N736 G790 Y796 H797 M798I733-A794 HydrophobicContact CG2-CB 4.43Å; N736-A794 HydrophobicContact CB-CB 4.05Å; G790-A794 VanDerWaalsContact O-CB 3.28Å; G790-A794 WeakPolarHBondContact O-CB 3.44Å; G790-A794 PolarHBondContact O-N 3.28Å; A794-Y796 VanDerWaalsContact C-N 3.31Å; A794-Y796 PolarHBondContact O-N 3.15Å; A794-H797 PolarHBondContact O-N 2.9Å; A794-M798 WeakPolarHBondContact O-CB 3.39Å; A794-M798 WeakPolarHBondContact O-CG 3.38Å; A794-M798 PolarHBondContact O-N 3.34Å
795C93.1Very high92.3Very high7 Ų716.9 Ų16.95%0.0479%0.092CC..Hα-helixtrans-61.5-35.8176.8-66.80000113.2I698 L791 M792 S793I698-C795 WeakPolarHBondContact CD1-O 3.2Å; I698-C795 WeakPolarHBondContact CG1-O 3.32Å; I698-C795 HydrophobicContact CG2-CB 4.44Å; L791-C795 PolarHBondContact O-N 2.72Å; L791-C795 VanDerWaalsContact O-N 3.08Å; L791-C795 PolarHBondContact O-SG 3.47Å; M792-C795 CarbonylContact O-C 3.43Å; M792-C795 WeakPolarHBondContact O-CB 3.37Å; M792-C795 PolarHBondContact O-N 3.1Å; M792-C795 VanDerWaalsContact O-N 3.15Å; S793-C795 PolarHBondContact O-N 2.98Å
796Y93Very high91.7Very high23 Ų2319 Ų199%0.0910%0.102CC..Hα-helixtrans-67.4-55.6173.6171.4-117.7000111.4M792 S793 A794 M798 C799 P800 N804 F805 D808M792-Y796 PolarHBondContact O-N 3.4Å; S793-Y796 PolarHBondContact O-N 3.05Å; A794-Y796 VanDerWaalsContact C-N 3.31Å; A794-Y796 PolarHBondContact O-N 3.15Å; Y796-M798 PolarHBondContact O-N 2.97Å; Y796-M798 VanDerWaalsContact O-N 3.15Å; Y796-C799 CarbonylContact O-C 3.59Å; Y796-C799 PolarHBondContact O-N 2.97Å; Y796-P800 HydrophobicContact CE1-CB 4.19Å; Y796-P800 HydrophobicContact CE2-CB 3.9Å; Y796-P800 VanDerWaalsContact O-N 3.13Å; Y796-N804 HydrophobicContact CD2-CB 4.4Å; Y796-N804 WeakPolarHBondContact CD2-O 3.28Å; Y796-F805 HydrophobicContact CE2-CB 4.43Å; Y796-D808 HydrophobicContact CD1-CB 4.23Å; Y796-D808 HydrophobicContact CG-CB 4.39Å
797H91.8Very high91.2Very high14 Ų1420.1 Ų20.17%0.06511%0.107CC..Hα-helixtrans-71.8-8.6-174.8-71.8-69.6000114.6N732 S793 A794 C799 D808 H1022 H1026N732-H797 HydrophobicContact CB-CB 3.72Å; N732-H797 PolarHBondContact ND2-O 2.94Å; S793-H797 PolarHBondContact O-CD2 2.68Å; S793-H797 VanDerWaalsContact O-CD2 3.28Å; S793-H797 PolarHBondContact O-N 3.49Å; A794-H797 PolarHBondContact O-N 2.9Å; H797-C799 VanDerWaalsContact C-N 3.32Å; H797-D808 IonicContact NE2-OD2 3.42Å; H797-H1022 AromaticContact CE1-CD2 3.56Å; H797-H1022 AromaticContact CE1-NE2 3.02Å; H797-H1022 PolarHBondContact CE1-NE2 3.34Å; H797-H1022 AromaticContact ND1-NE2 3.98Å; H797-H1022 AromaticContact NE2-CD2 3.9Å; H797-H1022 AromaticContact NE2-NE2 3.11Å; H797-H1022 PolarHBondContact NE2-NE2 2.77Å; H797-H1022 VanDerWaalsContact NE2-NE2 3.11Å; H797-H1026 AromaticContact CD2-CE1 3.46Å; H797-H1026 PolarHBondContact CD2-CE1 3.15Å; H797-H1026 VanDerWaalsContact CD2-CE1 3.46Å; H797-H1026 AromaticContact CD2-NE2 3.53Å; H797-H1026 AromaticContact NE2-CE1 3.43Å; H797-H1026 PolarHBondContact NE2-CE1 2.81Å; H797-H1026 AromaticContact NE2-NE2 3.44Å; H797-H1026 PolarHBondContact NE2-NE2 2.9Å
798M89.8Confident90.9Very high14 Ų1419.6 Ų19.67%0.06910%0.104CC..THydrogen-bonded Turntrans-65-29.5164-79.1167.486.200113.1I698 M699 Q702 Y716 F727 I733 A794 Y796I698-M798 HydrophobicContact CD1-CB 3.7Å; I698-M798 HydrophobicContact CG1-CB 3.62Å; I698-M798 HydrophobicContact CG1-CE 4.47Å; I698-M798 HydrophobicContact CG1-SD 4.36Å; M699-M798 HydrophobicContact CE-CE 3.93Å; Q702-M798 PolarHBondContact NE2-O 3.11Å; Q702-M798 VanDerWaalsContact NE2-O 3.09Å; Y716-M798 WeakPolarHBondContact CE1-O 3.5Å; Y716-M798 PolarHBondContact OH-O 2.91Å; F727-M798 HydrophobicContact CD1-CE 3.37Å; F727-M798 HydrophobicContact CE1-CE 3.21Å; F727-M798 HydrophobicContact CG-CE 4.2Å; F727-M798 HydrophobicContact CZ-CE 3.93Å; I733-M798 HydrophobicContact CD1-CE 4.01Å; I733-M798 HydrophobicContact CD1-CG 3.6Å; I733-M798 HydrophobicContact CD1-SD 3.92Å; I733-M798 HydrophobicContact CG1-CG 3.65Å; I733-M798 HydrophobicContact CG1-SD 4.26Å; A794-M798 WeakPolarHBondContact O-CB 3.39Å; A794-M798 WeakPolarHBondContact O-CG 3.38Å; A794-M798 PolarHBondContact O-N 3.34Å; Y796-M798 PolarHBondContact O-N 2.97Å; Y796-M798 VanDerWaalsContact O-N 3.15Å
799C91.4Very high90.7Very high0 Ų019.5 Ų19.50%010%0.104CC..SBendtrans-157.982.1169.81780000108.8I698 C714 Y796 H797 N801I698-C799 HydrophobicContact CD1-CB 3.26Å; C714-C799 HydrophobicContact CB-CB 3.95Å; C714-C799 WeakPolarHBondContact CB-SG 3.41Å; C714-C799 WeakPolarHBondContact SG-CB 3.07Å; C714-C799 CovalentContact SG-SG 2.03Å; C714-C799 PolarHBondContact SG-SG 3.29Å; Y796-C799 CarbonylContact O-C 3.59Å; Y796-C799 PolarHBondContact O-N 2.97Å; H797-C799 VanDerWaalsContact C-N 3.32Å; C799-N801 PolarHBondContact O-N 3.03Å
800P91.4Very high90.6Very high5 Ų519.3 Ų19.33%0.03210%0.104CC..  trans-68.8126.3179.628-33.4000109.1Y715 Y716 Y796Y715-P800 WeakPolarHBondContact CB-O 3.41Å; Y715-P800 WeakPolarHBondContact CD1-O 3.36Å; Y715-P800 PolarHBondContact N-O 3.46Å; Y715-P800 WeakPolarHBondContact O-CG 3.27Å; Y716-P800 HydrophobicContact CD1-CG 4.43Å; Y796-P800 HydrophobicContact CE1-CB 4.19Å; Y796-P800 HydrophobicContact CE2-CB 3.9Å; Y796-P800 VanDerWaalsContact O-N 3.13Å
801N87.7Confident90.5Very high9 Ų919.3 Ų19.35%0.04810%0.104CC..  trans-158.5170.8174.865.838.4000110.9Y715 C799 S803 N804 F805Y715-N801 HydrophobicContact CD1-CB 4.17Å; Y715-N801 HydrophobicContact CE1-CB 4.27Å; C799-N801 PolarHBondContact O-N 3.03Å; N801-S803 PolarHBondContact O-N 3.44Å; N801-S803 WeakPolarHBondContact OD1-CA 3.46Å; N801-S803 WeakPolarHBondContact OD1-CB 3.33Å; N801-S803 PolarHBondContact OD1-N 3.04Å; N801-N804 PolarHBondContact ND2-ND2 3.08Å; N801-N804 PolarHBondContact O-N 3.09Å; N801-N804 WeakPolarHBondContact OD1-CB 3Å; N801-N804 VanDerWaalsContact OD1-CG 3.27Å; N801-N804 PolarHBondContact OD1-N 3.4Å; N801-N804 PolarHBondContact OD1-ND2 2.6Å; N801-F805 PolarHBondContact O-N 3.19Å
802F83.5Confident90.4Very high62 Ų6216.9 Ų16.927%0.2729%0.091SC..THydrogen-bonded Turntrans-61.1-20.8179.7178.4-95.9000114.8F805 V853 L854 W999F802-F805 VanDerWaalsContact O-CD1 3.28Å; F802-F805 WeakPolarHBondContact O-CD1 3.46Å; F802-V853 HydrophobicContact CD2-CG1 4.07Å; F802-V853 HydrophobicContact CE2-CG1 3.42Å; F802-V853 VanDerWaalsContact CE2-CG1 3.42Å; F802-V853 HydrophobicContact CZ-CG1 3.88Å; F802-V853 WeakPolarHBondContact CZ-O 3.42Å; F802-L854 HydrophobicContact CE1-CD2 3.52Å; F802-L854 HydrophobicContact CZ-CD2 3.77Å; F802-W999 AromaticContact CD2-CE3 3.84Å; F802-W999 HydrophobicContact CD2-CE3 3.84Å; F802-W999 AromaticContact CD2-CZ3 3.88Å; F802-W999 HydrophobicContact CD2-CZ3 3.88Å; F802-W999 HydrophobicContact CE2-CZ3 4.27Å
803S84.8Confident90.5Very high71 Ų7117.2 Ų17.250%0.4979%0.092SC..THydrogen-bonded Turntrans-86-29.3179.3-57.60000112.8N801N801-S803 PolarHBondContact O-N 3.44Å; N801-S803 WeakPolarHBondContact OD1-CA 3.46Å; N801-S803 WeakPolarHBondContact OD1-CB 3.33Å; N801-S803 PolarHBondContact OD1-N 3.04Å
804N87.5Confident90.5Very high1 Ų117.5 Ų17.51%0.0059%0.094CC..THydrogen-bonded Turntrans-105.5-1.2-167.6-64.3-19.1000114.2Y701 Y796 N801 Q806 F807Y701-N804 WeakPolarHBondContact CD2-ND2 3.42Å; Y701-N804 WeakPolarHBondContact CE2-ND2 3.28Å; Y796-N804 HydrophobicContact CD2-CB 4.4Å; Y796-N804 WeakPolarHBondContact CD2-O 3.28Å; N801-N804 PolarHBondContact ND2-ND2 3.08Å; N801-N804 PolarHBondContact O-N 3.09Å; N801-N804 WeakPolarHBondContact OD1-CB 3Å; N801-N804 VanDerWaalsContact OD1-CG 3.27Å; N801-N804 PolarHBondContact OD1-N 3.4Å; N801-N804 PolarHBondContact OD1-ND2 2.6Å; N804-Q806 PolarHBondContact O-N 3.5Å; N804-F807 HydrophobicContact CB-CD2 4.06Å; N804-F807 HydrophobicContact CB-CE2 3.69Å; N804-F807 HydrophobicContact CB-CZ 4.14Å; N804-F807 WeakPolarHBondContact O-CG 3.46Å; N804-F807 PolarHBondContact O-N 3.46Å
805F82.5Confident90.6Very high7 Ų717.2 Ų17.23%0.0319%0.091CC..THydrogen-bonded Turntrans-50.9-29.4-173.874.7-88.6000115Y796 N801 F802 F807 T809 V853 S941 W999Y796-F805 HydrophobicContact CE2-CB 4.43Å; N801-F805 PolarHBondContact O-N 3.19Å; F802-F805 VanDerWaalsContact O-CD1 3.28Å; F802-F805 WeakPolarHBondContact O-CD1 3.46Å; F805-F807 VanDerWaalsContact C-N 3.31Å; F805-F807 PolarHBondContact O-N 2.94Å; F805-T809 PolarHBondContact O-OG1 3.36Å; F805-T809 VanDerWaalsContact O-OG1 3.07Å; F805-V853 HydrophobicContact CD1-CG1 4.12Å; F805-V853 HydrophobicContact CD2-CG2 4.5Å; F805-V853 HydrophobicContact CE1-CB 3.89Å; F805-V853 HydrophobicContact CE1-CG1 3.57Å; F805-V853 HydrophobicContact CE1-CG2 4.21Å; F805-V853 HydrophobicContact CE2-CB 4.34Å; F805-V853 HydrophobicContact CE2-CG2 3.81Å; F805-V853 HydrophobicContact CZ-CB 3.63Å; F805-V853 HydrophobicContact CZ-CG1 3.85Å; F805-V853 HydrophobicContact CZ-CG2 3.62Å; F805-S941 WeakPolarHBondContact CE2-OG 3.48Å; F805-W999 HydrophobicContact CB-CZ2 4.31Å
806Q85.6Confident90.7Very high46 Ų4617.1 Ų17.122%0.2159%0.09CC..Hα-helixtrans-69.2-26.4-173.8-64.3174.54800113.9Y690 N804 D808 T809 A810 V850Y690-Q806 WeakPolarHBondContact OH-CB 3.28Å; Y690-Q806 PolarHBondContact OH-O 2.96Å; N804-Q806 PolarHBondContact O-N 3.5Å; Q806-D808 VanDerWaalsContact C-N 3.28Å; Q806-D808 PolarHBondContact O-N 2.97Å; Q806-T809 PolarHBondContact O-N 3.32Å; Q806-A810 VanDerWaalsContact O-CB 3.24Å; Q806-A810 WeakPolarHBondContact O-CB 3.16Å; Q806-A810 PolarHBondContact O-N 3.11Å; Q806-V850 VanDerWaalsContact CD-CG2 3.42Å; Q806-V850 VanDerWaalsContact NE2-CG2 3.33Å
807F88.4Confident90.8Very high22 Ų2216.9 Ų16.910%0.0969%0.09CC..Hα-helixtrans-54.3-49.2-169.6-61.2-19.6000110.8Y690 A694 L697 M792 N804 F805Y690-F807 WeakPolarHBondContact OH-CA 3.34Å; Y690-F807 PolarHBondContact OH-N 3.15Å; A694-F807 HydrophobicContact CB-CD1 3.75Å; A694-F807 HydrophobicContact CB-CD2 4.2Å; A694-F807 HydrophobicContact CB-CE1 3.7Å; A694-F807 HydrophobicContact CB-CE2 4.14Å; A694-F807 HydrophobicContact CB-CG 4.01Å; A694-F807 HydrophobicContact CB-CZ 3.91Å; L697-F807 HydrophobicContact CD2-CZ 4.2Å; M792-F807 WeakPolarHBondContact CB-O 3.31Å; N804-F807 HydrophobicContact CB-CD2 4.06Å; N804-F807 HydrophobicContact CB-CE2 3.69Å; N804-F807 HydrophobicContact CB-CZ 4.14Å; N804-F807 WeakPolarHBondContact O-CG 3.46Å; N804-F807 PolarHBondContact O-N 3.46Å; F805-F807 VanDerWaalsContact C-N 3.31Å; F805-F807 PolarHBondContact O-N 2.94Å
808D90.6Very high91Very high8 Ų816.2 Ų16.24%0.0439%0.087CC..Hα-helixtrans-71.2-59.5173.9-159.5-4.3000111.2S793 Y796 H797 Q806 A810 Y811 M812S793-D808 VanDerWaalsContact CB-OD1 3.28Å; S793-D808 WeakPolarHBondContact CB-OD1 3.46Å; S793-D808 VanDerWaalsContact CB-OD2 3.28Å; S793-D808 WeakPolarHBondContact CB-OD2 3.47Å; S793-D808 PolarHBondContact OG-OD1 3.1Å; S793-D808 PolarHBondContact OG-OD2 2.98Å; Y796-D808 HydrophobicContact CD1-CB 4.23Å; Y796-D808 HydrophobicContact CG-CB 4.39Å; H797-D808 IonicContact NE2-OD2 3.42Å; Q806-D808 VanDerWaalsContact C-N 3.28Å; Q806-D808 PolarHBondContact O-N 2.97Å; D808-A810 PolarHBondContact O-N 3.37Å; D808-Y811 PolarHBondContact O-N 3.35Å; D808-M812 PolarHBondContact O-N 3.43Å
809T91.8Very high91.3Very high19 Ų1916 Ų1612%0.1179%0.086CC..Hα-helixtrans-61.7-26.9-166.8-30.40000114.2F805 Q806 Y811 M812 Y813F805-T809 PolarHBondContact O-OG1 3.36Å; F805-T809 VanDerWaalsContact O-OG1 3.07Å; Q806-T809 PolarHBondContact O-N 3.32Å; T809-Y811 VanDerWaalsContact C-N 3.33Å; T809-Y811 PolarHBondContact O-N 3.49Å; T809-M812 HydrophobicContact CG2-SD 4.1Å; T809-M812 WeakPolarHBondContact O-CB 3.42Å; T809-M812 PolarHBondContact O-N 3.45Å; T809-Y813 HydrophobicContact CG2-CD1 4.41Å; T809-Y813 HydrophobicContact CG2-CE1 3.69Å; T809-Y813 HydrophobicContact CG2-CE2 4.08Å; T809-Y813 VanDerWaalsContact CG2-CZ 3.49Å; T809-Y813 WeakPolarHBondContact CG2-OH 3.49Å; T809-Y813 WeakPolarHBondContact O-CD2 3.37Å; T809-Y813 VanDerWaalsContact O-CG 3.23Å; T809-Y813 PolarHBondContact O-N 3.25Å; T809-Y813 VanDerWaalsContact O-N 3.08Å
810A93.8Very high91.4Very high4 Ų418.4 Ų18.43%0.03310%0.099CC..Hα-helixtrans-61.4-39.4174.900000112.6Y690 Q806 D808 I814 I846Y690-A810 HydrophobicContact CE1-CB 4.31Å; Q806-A810 VanDerWaalsContact O-CB 3.24Å; Q806-A810 WeakPolarHBondContact O-CB 3.16Å; Q806-A810 PolarHBondContact O-N 3.11Å; D808-A810 PolarHBondContact O-N 3.37Å; A810-I814 WeakPolarHBondContact O-CG1 3.42Å; A810-I814 PolarHBondContact O-N 3.11Å; A810-I846 HydrophobicContact CB-CD1 4.26Å
811Y94.4Very high91.5Very high1 Ų119.5 Ų19.50%0.00410%0.104CC..Hα-helixtrans-76.6-34176.6-85-90000112.3L683 S687 Y690 M788 E789 M792 D808 T809 Y813 I814 L815L683-Y811 HydrophobicContact CD1-CE1 4.08Å; S687-Y811 WeakPolarHBondContact CA-OH 3.35Å; S687-Y811 VanDerWaalsContact CB-OH 3.3Å; S687-Y811 WeakPolarHBondContact CB-OH 3Å; S687-Y811 PolarHBondContact OG-OH 3.27Å; Y690-Y811 AromaticContact CD1-CE2 3.89Å; Y690-Y811 HydrophobicContact CD1-CE2 3.89Å; Y690-Y811 HydrophobicContact CE1-CE2 4.25Å; M788-Y811 HydrophobicContact CB-CD1 3.7Å; M788-Y811 HydrophobicContact CB-CE1 3.28Å; M788-Y811 HydrophobicContact CB-CE2 4.43Å; M788-Y811 HydrophobicContact CB-CG 4.42Å; M788-Y811 HydrophobicContact CG-CE1 4.05Å; E789-Y811 WeakPolarHBondContact OE2-CB 3.27Å; M792-Y811 HydrophobicContact CB-CD2 4.26Å; M792-Y811 HydrophobicContact CG-CD2 3.76Å; M792-Y811 HydrophobicContact CG-CE2 3.72Å; D808-Y811 PolarHBondContact O-N 3.35Å; T809-Y811 VanDerWaalsContact C-N 3.33Å; T809-Y811 PolarHBondContact O-N 3.49Å; Y811-Y813 VanDerWaalsContact C-N 3.29Å; Y811-Y813 PolarHBondContact O-N 3.23Å; Y811-I814 PolarHBondContact O-N 3.41Å; Y811-I814 VanDerWaalsContact O-N 3.16Å; Y811-L815 WeakPolarHBondContact O-CB 3.22Å; Y811-L815 WeakPolarHBondContact O-CG 3.13Å; Y811-L815 PolarHBondContact O-N 2.91Å
812M94.6Very high91.8Very high32 Ų3219.4 Ų19.416%0.15810%0.103CC..Hα-helixtrans-54.5-45169.8-54.4-176.391.300111.6E789 D808 T809 L815 G816 L945 W1025E789-M812 VanDerWaalsContact OE1-CG 3.28Å; E789-M812 WeakPolarHBondContact OE1-CG 3.28Å; E789-M812 PolarHBondContact OE2-N 2.89Å; D808-M812 PolarHBondContact O-N 3.43Å; T809-M812 HydrophobicContact CG2-SD 4.1Å; T809-M812 WeakPolarHBondContact O-CB 3.42Å; T809-M812 PolarHBondContact O-N 3.45Å; M812-L815 PolarHBondContact O-N 3.09Å; M812-G816 PolarHBondContact O-N 3.49Å; M812-L945 HydrophobicContact CB-CD1 3.72Å; M812-L945 HydrophobicContact CE-CD1 4.46Å; M812-L945 HydrophobicContact CE-CD2 3.57Å; M812-L945 HydrophobicContact SD-CD1 4.44Å; M812-L945 HydrophobicContact SD-CD2 3.72Å; M812-W1025 HydrophobicContact CE-CH2 4.1Å; M812-W1025 HydrophobicContact CE-CZ2 4.35Å
813Y95.1Very high92.2Very high6 Ų616.8 Ų16.82%0.0249%0.092CC..Hα-helixtrans-66-44176.6-55.2-38.8000112.5T809 Y811 L815 G816 M817 I846 S941 L944 L945 F948T809-Y813 HydrophobicContact CG2-CD1 4.41Å; T809-Y813 HydrophobicContact CG2-CE1 3.69Å; T809-Y813 HydrophobicContact CG2-CE2 4.08Å; T809-Y813 VanDerWaalsContact CG2-CZ 3.49Å; T809-Y813 WeakPolarHBondContact CG2-OH 3.49Å; T809-Y813 WeakPolarHBondContact O-CD2 3.37Å; T809-Y813 VanDerWaalsContact O-CG 3.23Å; T809-Y813 PolarHBondContact O-N 3.25Å; T809-Y813 VanDerWaalsContact O-N 3.08Å; Y811-Y813 VanDerWaalsContact C-N 3.29Å; Y811-Y813 PolarHBondContact O-N 3.23Å; Y813-L815 VanDerWaalsContact C-N 3.33Å; Y813-L815 PolarHBondContact O-N 3.23Å; Y813-G816 PolarHBondContact O-N 2.78Å; Y813-M817 PolarHBondContact O-N 3.18Å; Y813-I846 HydrophobicContact CD2-CG1 4.02Å; Y813-S941 VanDerWaalsContact OH-CA 3.25Å; Y813-S941 WeakPolarHBondContact OH-CA 3.44Å; Y813-S941 WeakPolarHBondContact OH-CB 3.47Å; Y813-S941 PolarHBondContact OH-O 3Å; Y813-S941 VanDerWaalsContact OH-O 3.08Å; Y813-L944 HydrophobicContact CE1-CB 4.22Å; Y813-L944 HydrophobicContact CE1-CD2 4.28Å; Y813-L944 HydrophobicContact CE1-CG 4.01Å; Y813-L944 HydrophobicContact CE2-CD2 4.15Å; Y813-L945 HydrophobicContact CD1-CB 4.49Å; Y813-L945 HydrophobicContact CD1-CD1 4.18Å; Y813-L945 HydrophobicContact CE1-CB 3.9Å; Y813-L945 HydrophobicContact CE1-CD1 4.36Å; Y813-F948 AromaticContact CD1-CD2 3.99Å; Y813-F948 HydrophobicContact CD1-CD2 3.99Å; Y813-F948 HydrophobicContact CD1-CE2 4.27Å
814I95.6Very high92.5Very high7 Ų715.1 Ų15.14%0.0368%0.075CC..Hα-helixtrans-62.7-41.3177.9-70.6167.9000110.5L683 A810 Y811 M817 L818 Y839L683-I814 HydrophobicContact CD1-CG2 4.04Å; A810-I814 WeakPolarHBondContact O-CG1 3.42Å; A810-I814 PolarHBondContact O-N 3.11Å; Y811-I814 PolarHBondContact O-N 3.41Å; Y811-I814 VanDerWaalsContact O-N 3.16Å; I814-M817 PolarHBondContact O-N 3.34Å; I814-L818 HydrophobicContact CG2-CD1 3.66Å; I814-L818 HydrophobicContact CG2-CG 4.14Å; I814-L818 WeakPolarHBondContact O-CB 3.34Å; I814-L818 WeakPolarHBondContact O-CG 3.13Å; I814-L818 PolarHBondContact O-N 2.78Å; I814-Y839 HydrophobicContact CG2-CE1 4.33Å
815L95.9Very high92.6Very high4 Ų415.1 Ų15.12%0.0218%0.075CC..Hα-helixtrans-58.7-52.1173.3-80.6165.4000111A785 L786 E789 Y811 M812 Y813 M817 L818 V819 M1033 F1037A785-L815 HydrophobicContact CB-CD2 3.57Å; A785-L815 HydrophobicContact CB-CG 3.94Å; L786-L815 HydrophobicContact CB-CD2 4.39Å; L786-L815 HydrophobicContact CD1-CD1 4.49Å; E789-L815 HydrophobicContact CB-CD1 3.87Å; E789-L815 HydrophobicContact CG-CD1 3.96Å; Y811-L815 WeakPolarHBondContact O-CB 3.22Å; Y811-L815 WeakPolarHBondContact O-CG 3.13Å; Y811-L815 PolarHBondContact O-N 2.91Å; M812-L815 PolarHBondContact O-N 3.09Å; Y813-L815 VanDerWaalsContact C-N 3.33Å; Y813-L815 PolarHBondContact O-N 3.23Å; L815-M817 VanDerWaalsContact C-N 3.33Å; L815-M817 PolarHBondContact O-N 2.99Å; L815-L818 PolarHBondContact O-N 3Å; L815-V819 WeakPolarHBondContact O-CG2 3.34Å; L815-V819 PolarHBondContact O-N 3.18Å; L815-M1033 HydrophobicContact CB-CE 4.16Å; L815-M1033 HydrophobicContact CD1-CE 4.05Å; L815-M1033 HydrophobicContact CD2-CE 3.88Å; L815-M1033 HydrophobicContact CG-CE 4.28Å; L815-F1037 HydrophobicContact CD2-CZ 3.76Å
816G95.1Very high93Very high4 Ų415.4 Ų15.44%0.0418%0.077CC..Hα-helixtrans-54.3-46.917700000112.9M812 Y813 M820M812-G816 PolarHBondContact O-N 3.49Å; Y813-G816 PolarHBondContact O-N 2.78Å; G816-M820 WeakPolarHBondContact O-CB 3.29Å; G816-M820 PolarHBondContact O-N 3.16Å; G816-M820 VanDerWaalsContact O-N 3.1Å
817M95Very high93.1Very high19 Ų1913.3 Ų13.39%0.0947%0.067CC..Hα-helixtrans-62.4-49.8175.3-176.8-147.155.600112.3Y813 I814 L815 V819 M820 L821 A838 Y839 M842Y813-M817 PolarHBondContact O-N 3.18Å; I814-M817 PolarHBondContact O-N 3.34Å; L815-M817 VanDerWaalsContact C-N 3.33Å; L815-M817 PolarHBondContact O-N 2.99Å; M817-V819 VanDerWaalsContact C-N 3.33Å; M817-V819 PolarHBondContact O-N 2.86Å; M817-M820 PolarHBondContact O-N 3.25Å; M817-L821 HydrophobicContact CE-CD1 3.97Å; M817-L821 HydrophobicContact CG-CD1 3.84Å; M817-L821 HydrophobicContact CG-CG 4.23Å; M817-L821 WeakPolarHBondContact O-CB 3.49Å; M817-L821 WeakPolarHBondContact O-CG 3.35Å; M817-L821 PolarHBondContact O-N 3.2Å; M817-L821 HydrophobicContact SD-CD1 3.82Å; M817-A838 HydrophobicContact SD-CB 3.96Å; M817-Y839 HydrophobicContact CE-CD1 4.28Å; M817-Y839 HydrophobicContact CE-CE1 3.94Å; M817-M842 HydrophobicContact CB-CG 4.34Å; M817-M842 HydrophobicContact CB-SD 3.76Å; M817-M842 HydrophobicContact CE-CG 4.13Å; M817-M842 HydrophobicContact CG-CG 4.18Å; M817-M842 HydrophobicContact CG-SD 3.88Å; M817-M842 HydrophobicContact SD-CG 3.27Å; M817-M842 WeakPolarHBondContact SD-CG 3.48Å; M817-M842 HydrophobicContact SD-SD 3.79Å
818L95.9Very high93.1Very high0 Ų012.4 Ų12.40%06%0.064CC..Hα-helixtrans-62.5-39.6-177.1-72.8172.4000112.1Y679 L683 L778 A781 M782 A785 I814 L815 K822Y679-L818 HydrophobicContact CD1-CD2 4.05Å; L683-L818 HydrophobicContact CD2-CD1 4.27Å; L778-L818 HydrophobicContact CD1-CD2 3.55Å; A781-L818 HydrophobicContact CB-CD1 4.28Å; A781-L818 HydrophobicContact CB-CD2 4.19Å; M782-L818 HydrophobicContact CG-CB 4Å; A785-L818 HydrophobicContact CB-CD1 3.8Å; I814-L818 HydrophobicContact CG2-CD1 3.66Å; I814-L818 HydrophobicContact CG2-CG 4.14Å; I814-L818 WeakPolarHBondContact O-CB 3.34Å; I814-L818 WeakPolarHBondContact O-CG 3.13Å; I814-L818 PolarHBondContact O-N 2.78Å; L815-L818 PolarHBondContact O-N 3Å; L818-K822 VanDerWaalsContact O-CB 3.28Å; L818-K822 WeakPolarHBondContact O-CB 3.49Å; L818-K822 PolarHBondContact O-N 3.15Å
819V96.3Very high92.7Very high8 Ų812.1 Ų12.15%0.0486%0.062CC..Hα-helixtrans-64.8-46.8175.8-178.90000110.4M782 L815 M817 K822 I823 L952 F1037 I1040M782-V819 HydrophobicContact CE-CG2 4.05Å; L815-V819 WeakPolarHBondContact O-CG2 3.34Å; L815-V819 PolarHBondContact O-N 3.18Å; M817-V819 VanDerWaalsContact C-N 3.33Å; M817-V819 PolarHBondContact O-N 2.86Å; V819-K822 WeakPolarHBondContact O-CB 3.4Å; V819-K822 PolarHBondContact O-N 3.2Å; V819-K822 VanDerWaalsContact O-N 3.15Å; V819-I823 HydrophobicContact CG1-CD1 4.2Å; V819-I823 WeakPolarHBondContact O-CG1 3.31Å; V819-I823 PolarHBondContact O-N 3.08Å; V819-L952 HydrophobicContact CB-CD1 4.04Å; V819-L952 HydrophobicContact CB-CD2 4.17Å; V819-L952 HydrophobicContact CG1-CD1 3.52Å; V819-L952 HydrophobicContact CG1-CD2 4.06Å; V819-L952 HydrophobicContact CG1-CG 4.41Å; V819-F1037 HydrophobicContact CG2-CD1 4.47Å; V819-F1037 HydrophobicContact CG2-CE1 3.65Å; V819-F1037 HydrophobicContact CG2-CZ 4.35Å; V819-I1040 HydrophobicContact CG1-CD1 3.47Å; V819-I1040 VanDerWaalsContact CG1-CD1 3.47Å
820M93.5Very high92.3Very high52 Ų5211.5 Ų11.526%0.2566%0.058SC..Hα-helixtrans-61.9-47.3178.1-173.6178.3-7100112G816 M817 K822 I823 Y824 N951 L952 Y955G816-M820 WeakPolarHBondContact O-CB 3.29Å; G816-M820 PolarHBondContact O-N 3.16Å; G816-M820 VanDerWaalsContact O-N 3.1Å; M817-M820 PolarHBondContact O-N 3.25Å; M820-K822 PolarHBondContact O-N 3.12Å; M820-I823 PolarHBondContact O-N 3.25Å; M820-Y824 PolarHBondContact O-N 3.23Å; M820-N951 HydrophobicContact CE-CB 3.69Å; M820-L952 HydrophobicContact CB-CD1 4.44Å; M820-L952 HydrophobicContact CE-CB 4.28Å; M820-Y955 HydrophobicContact CG-CD1 4.07Å
821L93.1Very high91.6Very high28 Ų2813 Ų1315%0.1477%0.067CC..Hα-helixtrans-58.5-36.1173.7-73.9175.2000111.8Y679 L778 M817 Y824 Q825 A838Y679-L821 HydrophobicContact CE1-CD1 3.95Å; L778-L821 HydrophobicContact CD2-CB 4.12Å; M817-L821 HydrophobicContact CE-CD1 3.97Å; M817-L821 HydrophobicContact CG-CD1 3.84Å; M817-L821 HydrophobicContact CG-CG 4.23Å; M817-L821 WeakPolarHBondContact O-CB 3.49Å; M817-L821 WeakPolarHBondContact O-CG 3.35Å; M817-L821 PolarHBondContact O-N 3.2Å; M817-L821 HydrophobicContact SD-CD1 3.82Å; L821-Y824 PolarHBondContact O-N 3.05Å; L821-Q825 WeakPolarHBondContact O-CB 3.42Å; L821-Q825 PolarHBondContact O-N 3.43Å; L821-A838 HydrophobicContact CD1-CB 4.09Å
822K94.6Very high90.9Very high6 Ų613.7 Ų13.73%0.0267%0.07CC..Hα-helixtrans-69.8-41.9179.1177.364.2-136.3173.40112.6L778 F779 M782 L818 V819 M820 Y824 T826 I1040L778-K822 HydrophobicContact CB-CD 4.39Å; L778-K822 HydrophobicContact CD2-CB 3.78Å; L778-K822 HydrophobicContact CD2-CD 4.17Å; L778-K822 HydrophobicContact CG-CB 4.27Å; L778-K822 HydrophobicContact CG-CD 4.46Å; F779-K822 HydrophobicContact CD1-CD 4.12Å; F779-K822 HydrophobicContact CD1-CG 4.36Å; F779-K822 HydrophobicContact CE1-CD 3.85Å; F779-K822 HydrophobicContact CE1-CG 3.96Å; F779-K822 HydrophobicContact CE2-CD 4.29Å; F779-K822 HydrophobicContact CG-CD 4.46Å; F779-K822 HydrophobicContact CZ-CD 3.95Å; F779-K822 VanDerWaalsContact CZ-CE 3.41Å; F779-K822 HydrophobicContact CZ-CG 4.4Å; M782-K822 HydrophobicContact SD-CB 3.71Å; M782-K822 HydrophobicContact SD-CD 4.47Å; M782-K822 HydrophobicContact SD-CG 3.73Å; L818-K822 VanDerWaalsContact O-CB 3.28Å; L818-K822 WeakPolarHBondContact O-CB 3.49Å; L818-K822 PolarHBondContact O-N 3.15Å; V819-K822 WeakPolarHBondContact O-CB 3.4Å; V819-K822 PolarHBondContact O-N 3.2Å; V819-K822 VanDerWaalsContact O-N 3.15Å; M820-K822 PolarHBondContact O-N 3.12Å; K822-Y824 VanDerWaalsContact C-N 3.33Å; K822-T826 PolarHBondContact O-N 3.35Å; K822-T826 PolarHBondContact O-OG1 3.02Å; K822-I1040 HydrophobicContact CG-CG2 3.73Å
823I92.9Very high90.4Very high8 Ų813.9 Ų13.94%0.0418%0.077CC..Hα-helixtrans-62.2-45.9174.9-62166.3000109.1V819 M820 T826 L952 Y955 T956 Y959 I1040V819-I823 HydrophobicContact CG1-CD1 4.2Å; V819-I823 WeakPolarHBondContact O-CG1 3.31Å; V819-I823 PolarHBondContact O-N 3.08Å; M820-I823 PolarHBondContact O-N 3.25Å; I823-T826 WeakPolarHBondContact O-CB 3.41Å; I823-T826 PolarHBondContact O-N 3.45Å; I823-L952 HydrophobicContact CD1-CD1 3.98Å; I823-Y955 HydrophobicContact CB-CD1 4.06Å; I823-Y955 HydrophobicContact CB-CE1 3.63Å; I823-Y955 HydrophobicContact CG2-CD1 3.84Å; I823-Y955 HydrophobicContact CG2-CE1 3.38Å; I823-T956 WeakPolarHBondContact CD1-OG1 3.14Å; I823-Y959 HydrophobicContact CG2-CD2 3.57Å; I823-Y959 HydrophobicContact CG2-CE2 4.19Å; I823-Y959 HydrophobicContact CG2-CG 3.93Å; I823-I1040 HydrophobicContact CD1-CD1 4.22Å; I823-I1040 HydrophobicContact CG1-CD1 4.15Å; I823-I1040 HydrophobicContact CG1-CG1 4.43Å
824Y90Very high90.1Very high35 Ų3515.5 Ų15.514%0.1379%0.089CC..Hα-helixtrans-62.1-46.4178.5-173.4-108000113.3M820 L821 K822 T826 R827 H828 V831 Y955M820-Y824 PolarHBondContact O-N 3.23Å; L821-Y824 PolarHBondContact O-N 3.05Å; K822-Y824 VanDerWaalsContact C-N 3.33Å; Y824-T826 PolarHBondContact O-N 2.99Å; Y824-R827 PolarHBondContact O-N 3.48Å; Y824-H828 HydrophobicContact CD1-CB 4.27Å; Y824-H828 AromaticContact CD2-ND1 3.57Å; Y824-H828 HydrophobicContact CE1-CB 3.94Å; Y824-H828 HydrophobicContact CE2-CB 4.36Å; Y824-H828 AromaticContact CE2-CE1 3.75Å; Y824-H828 AromaticContact CE2-CG 3.76Å; Y824-H828 AromaticContact CE2-ND1 3.42Å; Y824-H828 WeakPolarHBondContact CE2-ND1 3.3Å; Y824-H828 AromaticContact CZ-CG 3.76Å; Y824-H828 AromaticContact CZ-ND1 3.91Å; Y824-H828 WeakPolarHBondContact O-CB 3.19Å; Y824-H828 PolarHBondContact O-N 2.93Å; Y824-H828 PolarHBondContact O-ND1 3.39Å; Y824-V831 VanDerWaalsContact CE1-O 3.25Å; Y824-V831 WeakPolarHBondContact CE1-O 3.49Å; Y824-Y955 VanDerWaalsContact CA-OH 3.26Å; Y824-Y955 WeakPolarHBondContact CA-OH 3.34Å
825Q91Very high90Very high2 Ų215.2 Ų15.21%0.0099%0.088CC..Hα-helixtrans-54.8-27.9176.8-167.4-127.1-42.800113.5Y676 L821 R827 N832Y676-Q825 HydrophobicContact CE1-CG 3.8Å; Y676-Q825 HydrophobicContact CE2-CG 4.08Å; Y676-Q825 VanDerWaalsContact CZ-CG 3.49Å; Y676-Q825 WeakPolarHBondContact OH-CG 3.4Å; L821-Q825 WeakPolarHBondContact O-CB 3.42Å; L821-Q825 PolarHBondContact O-N 3.43Å; Q825-R827 VanDerWaalsContact C-N 3.33Å; Q825-R827 PolarHBondContact O-N 3.35Å; Q825-N832 WeakPolarHBondContact CB-ND2 3.39Å; Q825-N832 WeakPolarHBondContact CG-ND2 3.28Å
826T89.5Confident89.8Confident13 Ų1320.4 Ų20.48%0.0811%0.112CC..Hα-helixtrans-71-27.9-173.8-57.20000112.3I772 K822 I823 Y824 Y959 D1044I772-T826 HydrophobicContact CD1-CG2 3.82Å; I772-T826 HydrophobicContact CG2-CG2 4.19Å; I772-T826 WeakPolarHBondContact CG2-O 3.48Å; K822-T826 PolarHBondContact O-N 3.35Å; K822-T826 PolarHBondContact O-OG1 3.02Å; I823-T826 WeakPolarHBondContact O-CB 3.41Å; I823-T826 PolarHBondContact O-N 3.45Å; Y824-T826 PolarHBondContact O-N 2.99Å; T826-Y959 WeakPolarHBondContact CG2-OH 3.41Å; T826-D1044 VanDerWaalsContact CG2-OD2 3.28Å; T826-D1044 WeakPolarHBondContact CG2-OD2 3.48Å
827R88.7Confident89.6Confident1 Ų122.7 Ų22.70%0.00413%0.127CC..Hα-helixtrans-108.5-15.6172.1-60-67.3171.1141-3.1113.6Y824 Q825 P829 Y959 E968 D1044 L1047 F1056 V1057 F1058Y824-R827 PolarHBondContact O-N 3.48Å; Q825-R827 VanDerWaalsContact C-N 3.33Å; Q825-R827 PolarHBondContact O-N 3.35Å; R827-P829 VanDerWaalsContact C-CD 3.42Å; R827-P829 VanDerWaalsContact O-CD 3.31Å; R827-P829 WeakPolarHBondContact O-CD 3.37Å; R827-Y959 HydrophobicContact CG-CE2 3.84Å; R827-Y959 PolarHBondContact NE-OH 3.06Å; R827-E968 IonicContact CZ-OE1 2.76Å; R827-E968 IonicContact CZ-OE2 2.68Å; R827-E968 IonicContact NH1-OE1 2.76Å; R827-E968 PolarHBondContact NH1-OE1 2.93Å; R827-E968 IonicContact NH1-OE2 2.99Å; R827-E968 IonicContact NH2-OE1 2.79Å; R827-E968 PolarHBondContact NH2-OE1 3.3Å; R827-E968 IonicContact NH2-OE2 3.53Å; R827-E968 PolarHBondContact NH2-OE2 3.03Å; R827-D1044 IonicContact CZ-OD1 3.73Å; R827-D1044 IonicContact NH2-OD1 3.53Å; R827-D1044 PolarHBondContact NH2-OD1 3.06Å; R827-L1047 VanDerWaalsContact NH2-CD1 3.34Å; R827-F1056 PolarHBondContact NH1-O 3.34Å; R827-V1057 HydrophobicContact CB-CG1 4.31Å; R827-F1058 HydrophobicContact CG-CE2 4.24Å; R827-F1058 HydrophobicContact CG-CZ 4.28Å
828H87.8Confident89.5Confident4 Ų422.1 Ų22.12%0.01913%0.126CC..  trans-121.263.5-177.1-55.290.9000113Y824 D830 V831 M882 V1057 F1058Y824-H828 HydrophobicContact CD1-CB 4.27Å; Y824-H828 AromaticContact CD2-ND1 3.57Å; Y824-H828 HydrophobicContact CE1-CB 3.94Å; Y824-H828 HydrophobicContact CE2-CB 4.36Å; Y824-H828 AromaticContact CE2-CE1 3.75Å; Y824-H828 AromaticContact CE2-CG 3.76Å; Y824-H828 AromaticContact CE2-ND1 3.42Å; Y824-H828 WeakPolarHBondContact CE2-ND1 3.3Å; Y824-H828 AromaticContact CZ-CG 3.76Å; Y824-H828 AromaticContact CZ-ND1 3.91Å; Y824-H828 WeakPolarHBondContact O-CB 3.19Å; Y824-H828 PolarHBondContact O-N 2.93Å; Y824-H828 PolarHBondContact O-ND1 3.39Å; H828-D830 PolarHBondContact O-N 2.84Å; H828-V831 PolarHBondContact O-N 3.09Å; H828-M882 WeakPolarHBondContact NE2-CE 3.45Å; H828-V1057 VanDerWaalsContact NE2-CG1 3.32Å; H828-V1057 WeakPolarHBondContact NE2-CG1 3.48Å; H828-F1058 PolarHBondContact CE1-O 3.34Å
829P82.8Confident89.4Confident1 Ų123.1 Ų23.11%0.00613%0.13CC..SBendtrans-67.9-36.7-17019.6-24.6000114.1L664 L672 Y676 P773 R827L664-P829 WeakPolarHBondContact O-CG 3.47Å; L672-P829 HydrophobicContact CD2-CB 4.32Å; L672-P829 WeakPolarHBondContact CD2-O 3.31Å; Y676-P829 PolarHBondContact OH-O 3.39Å; P773-P829 HydrophobicContact CG-CB 3.69Å; P773-P829 HydrophobicContact CG-CG 3.59Å; R827-P829 VanDerWaalsContact C-CD 3.42Å; R827-P829 VanDerWaalsContact O-CD 3.31Å; R827-P829 WeakPolarHBondContact O-CD 3.37Å
830D82.5Confident89.2Confident6 Ų629 Ų293%0.03216%0.158CC..SBendtrans-83.8-19179.7-76-4.1000114.6L664 K666 K667 H828L664-D830 WeakPolarHBondContact O-CB 3.38Å; L664-D830 PolarHBondContact O-N 3.14Å; K666-D830 PolarHBondContact N-OD2 3.2Å; K667-D830 WeakPolarHBondContact CB-OD1 3.45Å; K667-D830 HydrophobicContact CD-CB 3.92Å; K667-D830 HydrophobicContact CG-CB 4.27Å; K667-D830 PolarHBondContact N-OD1 2.96Å; K667-D830 PolarHBondContact N-OD2 3.43Å; K667-D830 PolarHBondContact NZ-O 2.95Å; H828-D830 PolarHBondContact O-N 2.84Å
831V80Confident89.2Confident36 Ų3630.4 Ų30.422%0.21817%0.17CC..SBendtrans-114.372.1-172.9-1770000108.7L664 Y824 H828 M882L664-V831 HydrophobicContact CD2-CG2 3.85Å; Y824-V831 VanDerWaalsContact CE1-O 3.25Å; Y824-V831 WeakPolarHBondContact CE1-O 3.49Å; H828-V831 PolarHBondContact O-N 3.09Å; V831-M882 WeakPolarHBondContact CG1-O 3.23Å
832N79.7Confident89.1Confident15 Ų1529.4 Ų29.48%0.0816%0.164CC..  trans-135.6148.8176.5-159.9-5.1000111.3K675 Y676 Q825K675-N832 PolarHBondContact NZ-O 3.4Å; Y676-N832 HydrophobicContact CE1-CB 4.17Å; Y676-N832 WeakPolarHBondContact CE1-ND2 3.28Å; Y676-N832 VanDerWaalsContact OH-CB 3.25Å; Y676-N832 WeakPolarHBondContact OH-CB 3.34Å; Y676-N832 PolarHBondContact OH-ND2 3.27Å; Q825-N832 WeakPolarHBondContact CB-ND2 3.39Å; Q825-N832 WeakPolarHBondContact CG-ND2 3.28Å
833A83.7Confident89.1Confident37 Ų3731.6 Ų31.631%0.30618%0.183SC..  trans-53.6150.8-179.800000112.2K675 Y679 A838K675-A833 WeakPolarHBondContact CE-O 3.43Å; Y679-A833 PolarHBondContact OH-O 2.9Å; A833-A838 HydrophobicContact CB-CB 4.5Å
834S89Confident89.1Confident39 Ų3934.2 Ų34.227%0.27320%0.2SC..  trans-74.915116977.10000109.5Y679 H836 S837 A838Y679-S834 PolarHBondContact OH-O 2.72Å; S834-H836 PolarHBondContact O-N 3.29Å; S834-S837 PolarHBondContact N-OG 3.38Å; S834-S837 VanDerWaalsContact N-OG 3.16Å; S834-S837 PolarHBondContact O-N 2.98Å; S834-S837 VanDerWaalsContact O-N 3.15Å; S834-S837 PolarHBondContact O-OG 3.5Å; S834-S837 PolarHBondContact OG-N 3.35Å; S834-S837 VanDerWaalsContact OG-N 3.11Å; S834-S837 PolarHBondContact OG-OG 3.21Å; S834-A838 PolarHBondContact O-N 3.23Å
835A92.4Very high89.3Confident1 Ų133.3 Ų33.31%0.00820%0.198CC..Hα-helixtrans-57.9-36.1176.700000111.3L678 Y679 Y682 Y839L678-A835 HydrophobicContact CB-CB 3.97Å; Y679-A835 HydrophobicContact CD1-CB 4.15Å; Y679-A835 HydrophobicContact CD2-CB 3.75Å; Y679-A835 HydrophobicContact CE1-CB 4.26Å; Y679-A835 HydrophobicContact CE2-CB 3.87Å; Y679-A835 HydrophobicContact CG-CB 3.9Å; Y682-A835 HydrophobicContact CD2-CB 3.75Å; Y682-A835 HydrophobicContact CE2-CB 4.01Å; A835-Y839 HydrophobicContact CB-CE2 4.48Å; A835-Y839 WeakPolarHBondContact O-CD2 3.48Å; A835-Y839 PolarHBondContact O-N 3.23Å
836H92.4Very high89.4Confident113 Ų11334.9 Ų34.952%0.52321%0.206SC..Hα-helixtrans-58.2-53.4172.9-52.1-89.4000112.1Y682 S834 A838 M840Y682-H836 AromaticContact CE2-CE1 3.57Å; Y682-H836 AromaticContact CE2-ND1 3.68Å; Y682-H836 AromaticContact CE2-NE2 3.88Å; Y682-H836 AromaticContact CZ-CE1 3.6Å; Y682-H836 PolarHBondContact OH-CE1 2.93Å; Y682-H836 PolarHBondContact OH-NE2 3.32Å; S834-H836 PolarHBondContact O-N 3.29Å; H836-A838 PolarHBondContact O-N 2.92Å; H836-M840 WeakPolarHBondContact O-CB 3.39Å; H836-M840 PolarHBondContact O-N 3.34Å
837S90.6Very high89.6Confident52 Ų5240.2 Ų40.236%0.36423%0.228SC..Hα-helixtrans-65.7-41.4-176.6620000111.6S834 M840 V841S834-S837 PolarHBondContact N-OG 3.38Å; S834-S837 VanDerWaalsContact N-OG 3.16Å; S834-S837 PolarHBondContact O-N 2.98Å; S834-S837 VanDerWaalsContact O-N 3.15Å; S834-S837 PolarHBondContact O-OG 3.5Å; S834-S837 PolarHBondContact OG-N 3.35Å; S834-S837 VanDerWaalsContact OG-N 3.11Å; S834-S837 PolarHBondContact OG-OG 3.21Å; S837-M840 PolarHBondContact O-N 3Å; S837-V841 WeakPolarHBondContact O-CG2 3.26Å; S837-V841 PolarHBondContact O-N 3.2Å
838A92.8Very high89.8Confident8 Ų841.7 Ų41.77%0.06624%0.236CC..Hα-helixtrans-61.2-52.4178.500000112Y679 M817 L821 A833 S834 H836 M840 V841 M842Y679-A838 HydrophobicContact CE1-CB 3.77Å; M817-A838 HydrophobicContact SD-CB 3.96Å; L821-A838 HydrophobicContact CD1-CB 4.09Å; A833-A838 HydrophobicContact CB-CB 4.5Å; S834-A838 PolarHBondContact O-N 3.23Å; H836-A838 PolarHBondContact O-N 2.92Å; A838-M840 VanDerWaalsContact C-N 3.34Å; A838-M840 PolarHBondContact O-N 3.47Å; A838-V841 PolarHBondContact O-N 3.35Å; A838-M842 WeakPolarHBondContact O-CG 2.96Å; A838-M842 PolarHBondContact O-N 3.01Å
839Y94.6Very high89.9Confident20 Ų2041.6 Ų41.68%0.07824%0.236CC..Hα-helixtrans-70.5-27.9179.2-67.9-55.1000113.4Y679 Y682 I686 I814 M817 A835 M842 A843Y679-Y839 AromaticContact CD1-CE2 3.97Å; Y679-Y839 HydrophobicContact CD1-CE2 3.97Å; Y679-Y839 PolarHBondContact O-OH 3.17Å; Y682-Y839 HydrophobicContact CD2-CD2 4.41Å; I686-Y839 HydrophobicContact CD1-CD1 3.92Å; I686-Y839 HydrophobicContact CD1-CD2 4.21Å; I686-Y839 HydrophobicContact CD1-CE1 4.32Å; I686-Y839 HydrophobicContact CD1-CG 3.89Å; I814-Y839 HydrophobicContact CG2-CE1 4.33Å; M817-Y839 HydrophobicContact CE-CD1 4.28Å; M817-Y839 HydrophobicContact CE-CE1 3.94Å; A835-Y839 HydrophobicContact CB-CE2 4.48Å; A835-Y839 WeakPolarHBondContact O-CD2 3.48Å; A835-Y839 PolarHBondContact O-N 3.23Å; Y839-M842 PolarHBondContact O-N 3.31Å; Y839-A843 WeakPolarHBondContact O-CB 3.36Å; Y839-A843 PolarHBondContact O-N 3.13Å
840M92.7Very high90.3Very high131 Ų13143 Ų4365%0.64524%0.244SC*.Hα-helixtrans-66.6-42.4172.9-169.167-179.300111.8H836 S837 A838 M842 A843 V844H836-M840 WeakPolarHBondContact O-CB 3.39Å; H836-M840 PolarHBondContact O-N 3.34Å; S837-M840 PolarHBondContact O-N 3Å; A838-M840 VanDerWaalsContact C-N 3.34Å; A838-M840 PolarHBondContact O-N 3.47Å; M840-M842 VanDerWaalsContact C-N 3.33Å; M840-A843 PolarHBondContact O-N 2.91Å; M840-V844 PolarHBondContact O-N 3.11Å; M840-V844 VanDerWaalsContact O-N 3.16Å
841V92.1Very high90.7Very high82 Ų8245.1 Ų45.150%0.49726%0.256SS..Hα-helixtrans-61.5-43.3172.3171.50000110.4S837 A838 A843 V844 V845S837-V841 WeakPolarHBondContact O-CG2 3.26Å; S837-V841 PolarHBondContact O-N 3.2Å; A838-V841 PolarHBondContact O-N 3.35Å; V841-A843 VanDerWaalsContact C-N 3.35Å; V841-A843 PolarHBondContact O-N 3.11Å; V841-V844 PolarHBondContact O-N 2.93Å; V841-V845 HydrophobicContact CG1-CG2 4.41Å; V841-V845 WeakPolarHBondContact O-CG2 3.08Å; V841-V845 PolarHBondContact O-N 2.64Å
842M92.6Very high91.2Very high7 Ų743.5 Ų43.53%0.03425%0.247CC..Hα-helixtrans-63-37.4175.8-67.4-48.5-54.900113.4M817 A838 Y839 M840 V844 V845 I846 F948M817-M842 HydrophobicContact CB-CG 4.34Å; M817-M842 HydrophobicContact CB-SD 3.76Å; M817-M842 HydrophobicContact CE-CG 4.13Å; M817-M842 HydrophobicContact CG-CG 4.18Å; M817-M842 HydrophobicContact CG-SD 3.88Å; M817-M842 HydrophobicContact SD-CG 3.27Å; M817-M842 WeakPolarHBondContact SD-CG 3.48Å; M817-M842 HydrophobicContact SD-SD 3.79Å; A838-M842 WeakPolarHBondContact O-CG 2.96Å; A838-M842 PolarHBondContact O-N 3.01Å; Y839-M842 PolarHBondContact O-N 3.31Å; M840-M842 VanDerWaalsContact C-N 3.33Å; M842-V844 VanDerWaalsContact C-N 3.34Å; M842-V844 PolarHBondContact O-N 3.41Å; M842-V845 HydrophobicContact CE-CB 4.46Å; M842-V845 HydrophobicContact CE-CG1 4.28Å; M842-V845 PolarHBondContact O-N 3.14Å; M842-I846 WeakPolarHBondContact O-CB 3.43Å; M842-I846 VanDerWaalsContact O-CG1 3.27Å; M842-I846 WeakPolarHBondContact O-CG1 3.33Å; M842-I846 PolarHBondContact O-N 2.98Å; M842-F948 HydrophobicContact CE-CE1 4.28Å; M842-F948 HydrophobicContact CE-CZ 3.85Å; M842-F948 HydrophobicContact SD-CE1 4.24Å; M842-F948 HydrophobicContact SD-CZ 4.1Å
843A93.6Very high91.5Very high52 Ų5243.3 Ų43.343%0.4325%0.246SC..Hα-helixtrans-61.9-41.4175.400000111.8Y839 M840 V841 F847Y839-A843 WeakPolarHBondContact O-CB 3.36Å; Y839-A843 PolarHBondContact O-N 3.13Å; M840-A843 PolarHBondContact O-N 2.91Å; V841-A843 VanDerWaalsContact C-N 3.35Å; V841-A843 PolarHBondContact O-N 3.11Å; A843-F847 VanDerWaalsContact O-CB 3.3Å; A843-F847 WeakPolarHBondContact O-CB 3.24Å; A843-F847 PolarHBondContact O-N 3.39Å
844V93.7Very high91.6Very high64 Ų6445.6 Ų45.639%0.38825%0.252SS..Hα-helixtrans-64.8-42.5173.9175.30000111.4M840 V841 M842 F847 L848M840-V844 PolarHBondContact O-N 3.11Å; M840-V844 VanDerWaalsContact O-N 3.16Å; V841-V844 PolarHBondContact O-N 2.93Å; M842-V844 VanDerWaalsContact C-N 3.34Å; M842-V844 PolarHBondContact O-N 3.41Å; V844-F847 PolarHBondContact O-N 2.74Å; V844-L848 HydrophobicContact CG1-CD1 4.24Å; V844-L848 WeakPolarHBondContact O-CG 3.46Å; V844-L848 PolarHBondContact O-N 3.03Å
845V93.1Very high91.5Very high16 Ų1650.7 Ų50.710%0.09727%0.267CS..Hα-helixtrans-63.4-44.8177.3169.30000111.8V841 M842 L848 G849 L944 F948V841-V845 HydrophobicContact CG1-CG2 4.41Å; V841-V845 WeakPolarHBondContact O-CG2 3.08Å; V841-V845 PolarHBondContact O-N 2.64Å; M842-V845 HydrophobicContact CE-CB 4.46Å; M842-V845 HydrophobicContact CE-CG1 4.28Å; M842-V845 PolarHBondContact O-N 3.14Å; V845-L848 PolarHBondContact O-N 3.49Å; V845-G849 PolarHBondContact O-N 3.5Å; V845-L944 HydrophobicContact CG1-CD1 4.28Å; V845-L944 HydrophobicContact CG1-CD2 3.88Å; V845-L944 HydrophobicContact CG1-CG 4.37Å; V845-F948 HydrophobicContact CG1-CE2 3.75Å; V845-F948 HydrophobicContact CG1-CZ 3.91Å
846I93.3Very high91.1Very high35 Ų3552.2 Ų52.218%0.17928%0.283CS..Hα-helixtrans-62.1-44.8175.8-70162.7000110.1A810 Y813 M842 L848 G849 V850A810-I846 HydrophobicContact CB-CD1 4.26Å; Y813-I846 HydrophobicContact CD2-CG1 4.02Å; M842-I846 WeakPolarHBondContact O-CB 3.43Å; M842-I846 VanDerWaalsContact O-CG1 3.27Å; M842-I846 WeakPolarHBondContact O-CG1 3.33Å; M842-I846 PolarHBondContact O-N 2.98Å; I846-L848 PolarHBondContact O-N 2.76Å; I846-G849 VanDerWaalsContact O-CA 3.28Å; I846-G849 WeakPolarHBondContact O-CA 3.4Å; I846-G849 PolarHBondContact O-N 2.74Å; I846-V850 WeakPolarHBondContact O-CG2 3.28Å; I846-V850 PolarHBondContact O-N 3.49Å
847F93.2Very high90.8Very high124 Ų12452.1 Ų52.154%0.54429%0.286SS..Hα-helixtrans-60.5-42.3176.6-179.7-109.6000112.9A843 V844 G849 V850 L851A843-F847 VanDerWaalsContact O-CB 3.3Å; A843-F847 WeakPolarHBondContact O-CB 3.24Å; A843-F847 PolarHBondContact O-N 3.39Å; V844-F847 PolarHBondContact O-N 2.74Å; F847-G849 VanDerWaalsContact C-N 3.28Å; F847-G849 PolarHBondContact O-N 2.83Å; F847-V850 WeakPolarHBondContact O-CB 3.05Å; F847-V850 PolarHBondContact O-N 3.06Å; F847-L851 HydrophobicContact CD1-CD1 4.03Å; F847-L851 HydrophobicContact CE1-CD1 3.46Å; F847-L851 VanDerWaalsContact CE1-CD1 3.46Å; F847-L851 HydrophobicContact CE1-CG 4.12Å; F847-L851 HydrophobicContact CE2-CG 4.43Å; F847-L851 HydrophobicContact CZ-CD1 3.78Å; F847-L851 HydrophobicContact CZ-CD2 4.24Å; F847-L851 HydrophobicContact CZ-CG 4.07Å; F847-L851 PolarHBondContact O-N 3.49Å
848L92.6Very high90.8Very high32 Ų3255.4 Ų55.417%0.16830%0.296CS..Hα-helixtrans-62.1-36171.3-72.1171.7000111.9V844 V845 I846 L851 G852 F860 F867 F940V844-L848 HydrophobicContact CG1-CD1 4.24Å; V844-L848 WeakPolarHBondContact O-CG 3.46Å; V844-L848 PolarHBondContact O-N 3.03Å; V845-L848 PolarHBondContact O-N 3.49Å; I846-L848 PolarHBondContact O-N 2.76Å; L848-L851 PolarHBondContact O-N 3.17Å; L848-G852 PolarHBondContact O-N 3.42Å; L848-F860 HydrophobicContact CD2-CE2 4.47Å; L848-F867 HydrophobicContact CD1-CD1 3.92Å; L848-F867 HydrophobicContact CD1-CE1 3.61Å; L848-F867 HydrophobicContact CD1-CZ 4.37Å; L848-F940 WeakPolarHBondContact O-CE1 3.45Å
849G91.2Very high90.7Very high2 Ų261 Ų612%0.02132%0.323CS..Hα-helixtrans-53.9-49.2169.100000112.7V845 I846 F847 G852 V853V845-G849 PolarHBondContact O-N 3.5Å; I846-G849 VanDerWaalsContact O-CA 3.28Å; I846-G849 WeakPolarHBondContact O-CA 3.4Å; I846-G849 PolarHBondContact O-N 2.74Å; F847-G849 VanDerWaalsContact C-N 3.28Å; F847-G849 PolarHBondContact O-N 2.83Å; G849-G852 PolarHBondContact O-N 3.49Å; G849-V853 PolarHBondContact O-N 2.86Å
850V90.3Very high90.6Very high30 Ų3061.3 Ų61.318%0.18233%0.325CS..Hα-helixtrans-61.5-49.5177.1-167.30000111.5Q806 I846 F847 G852 V853 L854Q806-V850 VanDerWaalsContact CD-CG2 3.42Å; Q806-V850 VanDerWaalsContact NE2-CG2 3.33Å; I846-V850 WeakPolarHBondContact O-CG2 3.28Å; I846-V850 PolarHBondContact O-N 3.49Å; F847-V850 WeakPolarHBondContact O-CB 3.05Å; F847-V850 PolarHBondContact O-N 3.06Å; V850-G852 VanDerWaalsContact C-N 3.3Å; V850-G852 PolarHBondContact O-N 2.79Å; V850-V853 PolarHBondContact O-N 2.89Å; V850-L854 HydrophobicContact CG1-CD1 3.77Å; V850-L854 HydrophobicContact CG1-CG 4.22Å; V850-L854 WeakPolarHBondContact O-CB 3.28Å; V850-L854 WeakPolarHBondContact O-CG 3.18Å; V850-L854 PolarHBondContact O-N 2.94Å
851L91.2Very high90.7Very high51 Ų5155.2 Ų55.227%0.26730%0.295SS..Hα-helixtrans-63-35.9-179.5-69.3-177.6000112.4F847 L848 Y855 F860F847-L851 HydrophobicContact CD1-CD1 4.03Å; F847-L851 HydrophobicContact CE1-CD1 3.46Å; F847-L851 VanDerWaalsContact CE1-CD1 3.46Å; F847-L851 HydrophobicContact CE1-CG 4.12Å; F847-L851 HydrophobicContact CE2-CG 4.43Å; F847-L851 HydrophobicContact CZ-CD1 3.78Å; F847-L851 HydrophobicContact CZ-CD2 4.24Å; F847-L851 HydrophobicContact CZ-CG 4.07Å; F847-L851 PolarHBondContact O-N 3.49Å; L848-L851 PolarHBondContact O-N 3.17Å; L851-Y855 HydrophobicContact CD2-CD2 3.92Å; L851-Y855 HydrophobicContact CD2-CE2 4.29Å; L851-Y855 CarbonylContact O-C 3.08Å; L851-Y855 VanDerWaalsContact O-CA 3.31Å; L851-Y855 WeakPolarHBondContact O-CA 3.19Å; L851-Y855 WeakPolarHBondContact O-CB 3.36Å; L851-Y855 PolarHBondContact O-N 2.8Å; L851-F860 HydrophobicContact CB-CD2 4.32Å; L851-F860 HydrophobicContact CB-CE2 3.81Å
852G89.8Confident90.7Very high3 Ų354.7 Ų54.73%0.03129%0.289CS..Hα-helixtrans-71.1-32.9178.800000114.1L848 G849 V850 G856L848-G852 PolarHBondContact O-N 3.42Å; G849-G852 PolarHBondContact O-N 3.49Å; V850-G852 VanDerWaalsContact C-N 3.3Å; V850-G852 PolarHBondContact O-N 2.79Å; G852-G856 WeakPolarHBondContact O-CA 3.33Å; G852-G856 PolarHBondContact O-N 3.31Å
853V86.9Confident90.8Very high10 Ų1059.5 Ų59.56%0.06131%0.313CS..Hα-helixtrans-78.2-40.4175175.50000111.9F802 F805 G849 V850 F940 S941 W999F802-V853 HydrophobicContact CD2-CG1 4.07Å; F802-V853 HydrophobicContact CE2-CG1 3.42Å; F802-V853 VanDerWaalsContact CE2-CG1 3.42Å; F802-V853 HydrophobicContact CZ-CG1 3.88Å; F802-V853 WeakPolarHBondContact CZ-O 3.42Å; F805-V853 HydrophobicContact CD1-CG1 4.12Å; F805-V853 HydrophobicContact CD2-CG2 4.5Å; F805-V853 HydrophobicContact CE1-CB 3.89Å; F805-V853 HydrophobicContact CE1-CG1 3.57Å; F805-V853 HydrophobicContact CE1-CG2 4.21Å; F805-V853 HydrophobicContact CE2-CB 4.34Å; F805-V853 HydrophobicContact CE2-CG2 3.81Å; F805-V853 HydrophobicContact CZ-CB 3.63Å; F805-V853 HydrophobicContact CZ-CG1 3.85Å; F805-V853 HydrophobicContact CZ-CG2 3.62Å; G849-V853 PolarHBondContact O-N 2.86Å; V850-V853 PolarHBondContact O-N 2.89Å; V853-F940 HydrophobicContact CG2-CB 4.11Å; V853-S941 WeakPolarHBondContact CG2-OG 3.5Å; V853-W999 HydrophobicContact CG1-CH2 4.01Å; V853-W999 HydrophobicContact CG1-CZ3 3.84Å; V853-W999 HydrophobicContact CG2-CH2 4.18Å
854L85.7Confident90.8Very high85 Ų8557.6 Ų57.645%0.44530%0.295SS..Hα-helixtrans-80.4-35.7-179.2-63.7-175.7000114F802 V850F802-L854 HydrophobicContact CE1-CD2 3.52Å; F802-L854 HydrophobicContact CZ-CD2 3.77Å; V850-L854 HydrophobicContact CG1-CD1 3.77Å; V850-L854 HydrophobicContact CG1-CG 4.22Å; V850-L854 WeakPolarHBondContact O-CB 3.28Å; V850-L854 WeakPolarHBondContact O-CG 3.18Å; V850-L854 PolarHBondContact O-N 2.94Å
855Y87Confident90.8Very high146 Ų14655.3 Ų55.357%0.57328%0.281SS*.SBendtrans-133.238.6-169.7-55.9-72.9000112.2L851 N857 F860L851-Y855 HydrophobicContact CD2-CD2 3.92Å; L851-Y855 HydrophobicContact CD2-CE2 4.29Å; L851-Y855 CarbonylContact O-C 3.08Å; L851-Y855 VanDerWaalsContact O-CA 3.31Å; L851-Y855 WeakPolarHBondContact O-CA 3.19Å; L851-Y855 WeakPolarHBondContact O-CB 3.36Å; L851-Y855 PolarHBondContact O-N 2.8Å; Y855-N857 PolarHBondContact O-N 2.73Å; Y855-F860 WeakPolarHBondContact O-CB 3.47Å
856G83.6Confident90.9Very high34 Ų3459 Ų5935%0.35130%0.3SS..  trans-64.133.1-177.100000117.1G852 W861G852-G856 WeakPolarHBondContact O-CA 3.33Å; G852-G856 PolarHBondContact O-N 3.31Å; G856-W861 VanDerWaalsContact O-CD1 3.27Å; G856-W861 PolarHBondContact O-NE1 3.15Å
857N87.3Confident90.9Very high111 Ų11161.4 Ų61.459%0.59431%0.309SS*.  trans-63.9162.5177.6-68.9-30.2000112.3Y855 I859 F860 W861Y855-N857 PolarHBondContact O-N 2.73Å; N857-I859 PolarHBondContact O-N 3.32Å; N857-I859 VanDerWaalsContact O-N 3.13Å; N857-F860 WeakPolarHBondContact O-CB 3.43Å; N857-F860 PolarHBondContact O-N 3.27Å; N857-W861 PolarHBondContact O-N 2.86Å; N857-W861 VanDerWaalsContact O-N 3.13Å
858Q89.5Confident90.9Very high121 Ų12156.5 Ų56.557%0.56529%0.288SS*.Hα-helixtrans-54.3-35.8178.2-174.9164.8-30.200113.6W861 I862Q858-W861 PolarHBondContact O-N 3.04Å; Q858-I862 HydrophobicContact CG-CD1 4.11Å; Q858-I862 WeakPolarHBondContact O-CG1 3.43Å; Q858-I862 PolarHBondContact O-N 3.31Å; Q858-I862 VanDerWaalsContact O-N 3.09Å
859I91.3Very high91Very high124 Ų12457.7 Ų57.764%0.63629%0.294SS*.Hα-helixtrans-66.1-43.8177.7-59.3173.3000111N857 W861 I862 I863N857-I859 PolarHBondContact O-N 3.32Å; N857-I859 VanDerWaalsContact O-N 3.13Å; I859-W861 VanDerWaalsContact C-N 3.35Å; I859-W861 PolarHBondContact O-N 3.26Å; I859-I862 PolarHBondContact O-N 3.41Å; I859-I863 HydrophobicContact CG2-CD1 3.82Å; I859-I863 HydrophobicContact CG2-CG1 4.48Å; I859-I863 WeakPolarHBondContact O-CG1 3.12Å; I859-I863 PolarHBondContact O-N 3.48Å
860F92.6Very high91.1Very high27 Ų2762.1 Ų62.112%0.11832%0.316CS..Hα-helixtrans-59.3-47.3176.2170.8-91.3000110.6L848 L851 Y855 N857 I862 I863 F864 F940L848-F860 HydrophobicContact CD2-CE2 4.47Å; L851-F860 HydrophobicContact CB-CD2 4.32Å; L851-F860 HydrophobicContact CB-CE2 3.81Å; Y855-F860 WeakPolarHBondContact O-CB 3.47Å; N857-F860 WeakPolarHBondContact O-CB 3.43Å; N857-F860 PolarHBondContact O-N 3.27Å; F860-I862 PolarHBondContact O-N 2.94Å; F860-I863 PolarHBondContact O-N 3.29Å; F860-F864 HydrophobicContact CE1-CB 4.17Å; F860-F864 HydrophobicContact CZ-CB 4.21Å; F860-F864 VanDerWaalsContact O-CB 3.31Å; F860-F864 WeakPolarHBondContact O-CB 3.33Å; F860-F864 PolarHBondContact O-N 3.12Å; F860-F940 AromaticContact CE1-CD2 3.98Å; F860-F940 HydrophobicContact CE1-CD2 3.98Å; F860-F940 HydrophobicContact CE1-CE1 4.27Å; F860-F940 AromaticContact CE1-CE2 3.67Å; F860-F940 HydrophobicContact CE1-CE2 3.67Å; F860-F940 HydrophobicContact CE1-CG 4.41Å; F860-F940 AromaticContact CE1-CZ 3.83Å; F860-F940 HydrophobicContact CE1-CZ 3.83Å; F860-F940 AromaticContact CZ-CE1 4Å; F860-F940 HydrophobicContact CZ-CE1 4Å; F860-F940 HydrophobicContact CZ-CE2 4.13Å; F860-F940 AromaticContact CZ-CZ 3.78Å; F860-F940 HydrophobicContact CZ-CZ 3.78Å
861W93.4Very high91.1Very high4 Ų463.6 Ų63.62%0.01532%0.322CS..Hα-helixtrans-58.8-42.9177.7-8399.8000112.9G856 N857 Q858 I859 T865 R936 P937 F940 F943G856-W861 VanDerWaalsContact O-CD1 3.27Å; G856-W861 PolarHBondContact O-NE1 3.15Å; N857-W861 PolarHBondContact O-N 2.86Å; N857-W861 VanDerWaalsContact O-N 3.13Å; Q858-W861 PolarHBondContact O-N 3.04Å; I859-W861 VanDerWaalsContact C-N 3.35Å; I859-W861 PolarHBondContact O-N 3.26Å; W861-T865 VanDerWaalsContact O-CB 3.31Å; W861-T865 WeakPolarHBondContact O-CB 3.25Å; W861-T865 PolarHBondContact O-N 3.02Å; W861-T865 PolarHBondContact O-OG1 3.11Å; W861-R936 HydrophobicContact CB-CG 4.4Å; W861-R936 HydrophobicContact CD2-CB 4.37Å; W861-R936 HydrophobicContact CD2-CG 4.09Å; W861-R936 HydrophobicContact CG-CB 4.36Å; W861-R936 HydrophobicContact CG-CG 3.83Å; W861-P937 HydrophobicContact CH2-CG 3.84Å; W861-P937 HydrophobicContact CZ2-CG 4Å; W861-P937 WeakPolarHBondContact CZ2-O 3.19Å; W861-F940 AromaticContact CH2-CD2 3.6Å; W861-F940 HydrophobicContact CH2-CD2 3.6Å; W861-F940 HydrophobicContact CH2-CE2 4.03Å; W861-F940 AromaticContact CZ2-CD2 3.68Å; W861-F940 HydrophobicContact CZ2-CD2 3.68Å; W861-F940 HydrophobicContact CZ2-CE2 4.4Å; W861-F940 HydrophobicContact CZ3-CD2 4.23Å; W861-F940 HydrophobicContact CZ3-CE2 4.2Å; W861-F943 AromaticContact CH2-CD1 3.78Å; W861-F943 HydrophobicContact CH2-CD1 3.78Å; W861-F943 AromaticContact CH2-CE1 3.98Å; W861-F943 HydrophobicContact CH2-CE1 3.98Å; W861-F943 HydrophobicContact CH2-CG 4.14Å; W861-F943 HydrophobicContact CZ3-CD1 4.02Å; W861-F943 AromaticContact CZ3-CE1 3.71Å; W861-F943 HydrophobicContact CZ3-CE1 3.71Å; W861-F943 HydrophobicContact CZ3-CZ 4.09Å
862I93.5Very high91.1Very high71 Ų7161.5 Ų61.536%0.36431%0.312SS..Hα-helixtrans-62.1-48.9176.3-67.8162.1000111.1Q858 I859 F860 T865 I866 I933Q858-I862 HydrophobicContact CG-CD1 4.11Å; Q858-I862 WeakPolarHBondContact O-CG1 3.43Å; Q858-I862 PolarHBondContact O-N 3.31Å; Q858-I862 VanDerWaalsContact O-N 3.09Å; I859-I862 PolarHBondContact O-N 3.41Å; F860-I862 PolarHBondContact O-N 2.94Å; I862-T865 PolarHBondContact O-N 2.93Å; I862-I866 HydrophobicContact CG2-CD1 3.94Å; I862-I866 WeakPolarHBondContact O-CG1 3.4Å; I862-I866 PolarHBondContact O-N 3.21Å; I862-I933 HydrophobicContact CG1-CD1 4.09Å
863I93.5Very high91Very high108 Ų10864.8 Ų64.855%0.55433%0.331SS*.Hα-helixtrans-63.4-46.6-179.3-66.8171000110.7I859 F860 T865 I866 F867I859-I863 HydrophobicContact CG2-CD1 3.82Å; I859-I863 HydrophobicContact CG2-CG1 4.48Å; I859-I863 WeakPolarHBondContact O-CG1 3.12Å; I859-I863 PolarHBondContact O-N 3.48Å; F860-I863 PolarHBondContact O-N 3.29Å; I863-T865 PolarHBondContact O-N 3.13Å; I863-I866 PolarHBondContact O-N 2.91Å; I863-F867 WeakPolarHBondContact O-CB 3.2Å; I863-F867 PolarHBondContact O-N 3.04Å
864F94.1Very high91.1Very high11 Ų1167.8 Ų67.85%0.04835%0.346CS..Hα-helixtrans-60.6-44.9177.2173.8-93.9000111.6F860 I866 F867 F868 F940 F943 L944 I947F860-F864 HydrophobicContact CE1-CB 4.17Å; F860-F864 HydrophobicContact CZ-CB 4.21Å; F860-F864 VanDerWaalsContact O-CB 3.31Å; F860-F864 WeakPolarHBondContact O-CB 3.33Å; F860-F864 PolarHBondContact O-N 3.12Å; F864-I866 PolarHBondContact O-N 3.27Å; F864-F867 PolarHBondContact O-N 2.86Å; F864-F868 HydrophobicContact CE1-CB 4.11Å; F864-F868 HydrophobicContact CE1-CG 4.44Å; F864-F868 HydrophobicContact CZ-CB 4.09Å; F864-F868 HydrophobicContact CZ-CG 4.35Å; F864-F868 VanDerWaalsContact O-CB 3.27Å; F864-F868 WeakPolarHBondContact O-CB 3.37Å; F864-F868 PolarHBondContact O-N 3.42Å; F864-F940 AromaticContact CD1-CE2 3.93Å; F864-F940 HydrophobicContact CD1-CE2 3.93Å; F864-F940 HydrophobicContact CD1-CZ 4.15Å; F864-F940 HydrophobicContact CD2-CE2 4.29Å; F864-F940 AromaticContact CD2-CZ 3.69Å; F864-F940 HydrophobicContact CD2-CZ 3.69Å; F864-F940 HydrophobicContact CE1-CE2 4.04Å; F864-F940 HydrophobicContact CE1-CZ 4.14Å; F864-F940 HydrophobicContact CE2-CE2 4.36Å; F864-F940 AromaticContact CE2-CZ 3.65Å; F864-F940 HydrophobicContact CE2-CZ 3.65Å; F864-F940 HydrophobicContact CG-CE2 4.07Å; F864-F940 AromaticContact CG-CZ 3.94Å; F864-F940 HydrophobicContact CG-CZ 3.94Å; F864-F940 HydrophobicContact CZ-CE2 4.24Å; F864-F940 AromaticContact CZ-CZ 3.88Å; F864-F940 HydrophobicContact CZ-CZ 3.88Å; F864-F943 AromaticContact CE1-CE1 3.9Å; F864-F943 HydrophobicContact CE1-CE1 3.9Å; F864-L944 HydrophobicContact CZ-CD1 4.42Å; F864-I947 HydrophobicContact CZ-CD1 4.4Å
865T94.1Very high91.1Very high16 Ų1667.9 Ų67.910%0.09835%0.347CS..Hα-helixtrans-60.3-45.3177.3-65.80000111.4W861 I862 I863 F868 L869 A929W861-T865 VanDerWaalsContact O-CB 3.31Å; W861-T865 WeakPolarHBondContact O-CB 3.25Å; W861-T865 PolarHBondContact O-N 3.02Å; W861-T865 PolarHBondContact O-OG1 3.11Å; I862-T865 PolarHBondContact O-N 2.93Å; I863-T865 PolarHBondContact O-N 3.13Å; T865-F868 PolarHBondContact O-N 3.3Å; T865-L869 HydrophobicContact CG2-CD1 3.94Å; T865-L869 HydrophobicContact CG2-CG 4.38Å; T865-L869 WeakPolarHBondContact O-CB 3.33Å; T865-L869 WeakPolarHBondContact O-CG 3.4Å; T865-L869 PolarHBondContact O-N 3.46Å; T865-A929 HydrophobicContact CG2-CB 4.32Å
866I94.6Very high91.1Very high95 Ų9562.1 Ų62.149%0.48733%0.327SS..Hα-helixtrans-61.6-47.7176.7-67.5166.2000110.8I862 I863 F864 F868 L869 I870I862-I866 HydrophobicContact CG2-CD1 3.94Å; I862-I866 WeakPolarHBondContact O-CG1 3.4Å; I862-I866 PolarHBondContact O-N 3.21Å; I863-I866 PolarHBondContact O-N 2.91Å; F864-I866 PolarHBondContact O-N 3.27Å; I866-F868 PolarHBondContact O-N 3.49Å; I866-L869 PolarHBondContact O-N 2.84Å; I866-I870 HydrophobicContact CG2-CD1 3.74Å; I866-I870 WeakPolarHBondContact O-CB 3.36Å; I866-I870 VanDerWaalsContact O-CG1 3.3Å; I866-I870 WeakPolarHBondContact O-CG1 3.34Å; I866-I870 PolarHBondContact O-N 2.82Å
867F93.5Very high91.1Very high85 Ų8562.3 Ų62.337%0.37332%0.321SS..Hα-helixtrans-59.4-46.1177.7174.1-101.4000112.2L848 I863 F864 I870 L871L848-F867 HydrophobicContact CD1-CD1 3.92Å; L848-F867 HydrophobicContact CD1-CE1 3.61Å; L848-F867 HydrophobicContact CD1-CZ 4.37Å; I863-F867 WeakPolarHBondContact O-CB 3.2Å; I863-F867 PolarHBondContact O-N 3.04Å; F864-F867 PolarHBondContact O-N 2.86Å; F867-I870 PolarHBondContact O-N 3.18Å; F867-L871 HydrophobicContact CE1-CD2 4.1Å; F867-L871 HydrophobicContact CZ-CD2 4.23Å; F867-L871 WeakPolarHBondContact O-CB 3.3Å; F867-L871 PolarHBondContact O-N 3.49Å
868F94Very high91Very high21 Ų2161.8 Ų61.89%0.09232%0.315CS..Hα-helixtrans-64.9-42.1-180176.7-117000112.5F864 T865 I866 L871 S872 N925 A929 I947F864-F868 HydrophobicContact CE1-CB 4.11Å; F864-F868 HydrophobicContact CE1-CG 4.44Å; F864-F868 HydrophobicContact CZ-CB 4.09Å; F864-F868 HydrophobicContact CZ-CG 4.35Å; F864-F868 VanDerWaalsContact O-CB 3.27Å; F864-F868 WeakPolarHBondContact O-CB 3.37Å; F864-F868 PolarHBondContact O-N 3.42Å; T865-F868 PolarHBondContact O-N 3.3Å; I866-F868 PolarHBondContact O-N 3.49Å; F868-L871 PolarHBondContact O-N 3.01Å; F868-S872 WeakPolarHBondContact O-CB 3.14Å; F868-S872 PolarHBondContact O-N 3.44Å; F868-N925 HydrophobicContact CE1-CB 4.13Å; F868-N925 HydrophobicContact CZ-CB 3.93Å; F868-A929 HydrophobicContact CD1-CB 3.92Å; F868-A929 HydrophobicContact CE1-CB 4.1Å; F868-I947 HydrophobicContact CD2-CD1 4.48Å; F868-I947 HydrophobicContact CE1-CD1 4.24Å; F868-I947 HydrophobicContact CE2-CD1 4.07Å; F868-I947 HydrophobicContact CE2-CG2 3.58Å; F868-I947 HydrophobicContact CZ-CD1 3.93Å; F868-I947 HydrophobicContact CZ-CG1 4.25Å; F868-I947 HydrophobicContact CZ-CG2 3.64Å
869L93.9Very high90.6Very high57 Ų5758.7 Ų58.730%0.29830%0.302SS..Hα-helixtrans-63.5-44.6175.4-68.9173.4000111.6T865 I866 S872 V873 F926 A929T865-L869 HydrophobicContact CG2-CD1 3.94Å; T865-L869 HydrophobicContact CG2-CG 4.38Å; T865-L869 WeakPolarHBondContact O-CB 3.33Å; T865-L869 WeakPolarHBondContact O-CG 3.4Å; T865-L869 PolarHBondContact O-N 3.46Å; I866-L869 PolarHBondContact O-N 2.84Å; L869-S872 PolarHBondContact O-N 3.28Å; L869-V873 WeakPolarHBondContact O-CG2 3.48Å; L869-V873 PolarHBondContact O-N 3.16Å; L869-V873 VanDerWaalsContact O-N 3.1Å; L869-F926 HydrophobicContact CD2-CB 4.39Å; L869-F926 HydrophobicContact CD2-CD1 3.22Å; L869-F926 HydrophobicContact CD2-CE1 3.61Å; L869-F926 HydrophobicContact CD2-CG 3.91Å; L869-A929 HydrophobicContact CD2-CB 4.04Å; L869-A929 HydrophobicContact CG-CB 4.5Å
870I92.3Very high90.3Very high94 Ų9453.3 Ų53.348%0.48227%0.274SS..Hα-helixtrans-61.6-46.4175.8-69.7169.2000110.6I866 F867 S872 V873 I874I866-I870 HydrophobicContact CG2-CD1 3.74Å; I866-I870 WeakPolarHBondContact O-CB 3.36Å; I866-I870 VanDerWaalsContact O-CG1 3.3Å; I866-I870 WeakPolarHBondContact O-CG1 3.34Å; I866-I870 PolarHBondContact O-N 2.82Å; F867-I870 PolarHBondContact O-N 3.18Å; I870-S872 PolarHBondContact O-N 2.9Å; I870-V873 PolarHBondContact O-N 3.44Å; I870-I874 HydrophobicContact CG2-CD1 3.66Å; I870-I874 HydrophobicContact CG2-CG1 4.34Å; I870-I874 WeakPolarHBondContact O-CG1 3.37Å; I870-I874 PolarHBondContact O-N 3.4Å
871L90.4Very high89.6Confident61 Ų6157 Ų5732%0.31929%0.288SS..Hα-helixtrans-63.2-41179.1-174.363.9000112F867 F868 V873 I874 L875F867-L871 HydrophobicContact CE1-CD2 4.1Å; F867-L871 HydrophobicContact CZ-CD2 4.23Å; F867-L871 WeakPolarHBondContact O-CB 3.3Å; F867-L871 PolarHBondContact O-N 3.49Å; F868-L871 PolarHBondContact O-N 3.01Å; L871-V873 VanDerWaalsContact C-N 3.33Å; L871-V873 PolarHBondContact O-N 3.15Å; L871-I874 PolarHBondContact O-N 3.26Å; L871-L875 VanDerWaalsContact O-CB 3.23Å; L871-L875 WeakPolarHBondContact O-CB 3.17Å; L871-L875 PolarHBondContact O-N 2.87Å
872S91.1Very high88.7Confident8 Ų857 Ų576%0.05629%0.288CS..Hα-helixtrans-59.3-42.7174.9-171.10000111.7F868 L869 I870 T876 N922F868-S872 WeakPolarHBondContact O-CB 3.14Å; F868-S872 PolarHBondContact O-N 3.44Å; L869-S872 PolarHBondContact O-N 3.28Å; I870-S872 PolarHBondContact O-N 2.9Å; S872-T876 VanDerWaalsContact O-CB 3.22Å; S872-T876 WeakPolarHBondContact O-CB 3.39Å; S872-T876 PolarHBondContact O-N 3.02Å; S872-T876 PolarHBondContact O-OG1 3.18Å; S872-N922 PolarHBondContact OG-OD1 2.8Å
873V89.1Confident87.5Confident71 Ų7155.3 Ų55.343%0.4329%0.288SS..Hα-helixtrans-69.9-43.2177.3174.10000111.8L869 I870 L871 T876 V877 F926L869-V873 WeakPolarHBondContact O-CG2 3.48Å; L869-V873 PolarHBondContact O-N 3.16Å; L869-V873 VanDerWaalsContact O-N 3.1Å; I870-V873 PolarHBondContact O-N 3.44Å; L871-V873 VanDerWaalsContact C-N 3.33Å; L871-V873 PolarHBondContact O-N 3.15Å; V873-T876 WeakPolarHBondContact O-CB 3.28Å; V873-T876 PolarHBondContact O-N 2.78Å; V873-V877 WeakPolarHBondContact O-CG2 3.47Å; V873-V877 PolarHBondContact O-N 3.11Å; V873-F926 HydrophobicContact CG2-CZ 4.13Å
874I87.8Confident86.4Confident73 Ų7353.8 Ų53.837%0.37428%0.279SS..Hα-helixtrans-60.8-51177.2-71.4171.2000110.6I870 L871 T876 V877 E878 W885I870-I874 HydrophobicContact CG2-CD1 3.66Å; I870-I874 HydrophobicContact CG2-CG1 4.34Å; I870-I874 WeakPolarHBondContact O-CG1 3.37Å; I870-I874 PolarHBondContact O-N 3.4Å; L871-I874 PolarHBondContact O-N 3.26Å; I874-T876 PolarHBondContact O-N 2.6Å; I874-V877 PolarHBondContact O-N 3.3Å; I874-V877 VanDerWaalsContact O-N 3.11Å; I874-E878 PolarHBondContact O-N 2.98Å; I874-W885 HydrophobicContact CG2-CZ2 4.3Å
875L86Confident85.2Confident87 Ų8757.5 Ų57.546%0.45529%0.293SS..Hα-helixtrans-62.9-32179.4-175.1139000111.7L871 I879L871-L875 VanDerWaalsContact O-CB 3.23Å; L871-L875 WeakPolarHBondContact O-CB 3.17Å; L871-L875 PolarHBondContact O-N 2.87Å; L875-I879 HydrophobicContact CD2-CD1 3.54Å; L875-I879 HydrophobicContact CD2-CG1 4.49Å; L875-I879 HydrophobicContact CG-CD1 4.19Å; L875-I879 WeakPolarHBondContact O-CB 3.25Å; L875-I879 VanDerWaalsContact O-CG1 3.28Å; L875-I879 WeakPolarHBondContact O-CG1 3.42Å; L875-I879 PolarHBondContact O-N 3.45Å
876T87.8Confident83.9Confident26 Ų2662.8 Ų62.816%0.1632%0.32CS..Hα-helixtrans-64.3-46.4171.7-69.20000112.8S872 V873 I874 E878 I879 Y880 L918 N922S872-T876 VanDerWaalsContact O-CB 3.22Å; S872-T876 WeakPolarHBondContact O-CB 3.39Å; S872-T876 PolarHBondContact O-N 3.02Å; S872-T876 PolarHBondContact O-OG1 3.18Å; V873-T876 WeakPolarHBondContact O-CB 3.28Å; V873-T876 PolarHBondContact O-N 2.78Å; I874-T876 PolarHBondContact O-N 2.6Å; T876-E878 VanDerWaalsContact C-N 3.35Å; T876-I879 PolarHBondContact O-N 2.89Å; T876-Y880 WeakPolarHBondContact O-CB 3.38Å; T876-Y880 PolarHBondContact O-N 3.05Å; T876-L918 HydrophobicContact CG2-CB 3.94Å; T876-L918 HydrophobicContact CG2-CD1 4.2Å; T876-L918 HydrophobicContact CG2-CD2 4.23Å; T876-L918 HydrophobicContact CG2-CG 4.35Å; T876-N922 PolarHBondContact OG1-ND2 3.49Å
877V84.1Confident82.5Confident38 Ų3863.9 Ų63.923%0.2333%0.326CS..Hα-helixtrans-64.7-42.2177174.60000110.4V873 I874 Y880 Y881 W885V873-V877 WeakPolarHBondContact O-CG2 3.47Å; V873-V877 PolarHBondContact O-N 3.11Å; I874-V877 PolarHBondContact O-N 3.3Å; I874-V877 VanDerWaalsContact O-N 3.11Å; V877-Y880 PolarHBondContact O-N 3.19Å; V877-Y881 HydrophobicContact CG1-CD2 3.85Å; V877-Y881 HydrophobicContact CG1-CE2 4.23Å; V877-Y881 WeakPolarHBondContact O-CD2 3.36Å; V877-Y881 PolarHBondContact O-N 2.89Å; V877-W885 HydrophobicContact CG1-CD2 3.55Å; V877-W885 HydrophobicContact CG1-CE3 3.53Å; V877-W885 HydrophobicContact CG1-CG 4.09Å; V877-W885 HydrophobicContact CG1-CH2 4.08Å; V877-W885 HydrophobicContact CG1-CZ2 4.14Å; V877-W885 HydrophobicContact CG1-CZ3 3.79Å
878E84Confident81.5Confident99 Ų9963.6 Ų63.646%0.46333%0.328SS..Hα-helixtrans-62.3-44.3178.1-165.7177.8166.800112.1I874 T876 M882 G883I874-E878 PolarHBondContact O-N 2.98Å; T876-E878 VanDerWaalsContact C-N 3.35Å; E878-M882 CarbonylContact O-C 3.57Å; E878-M882 WeakPolarHBondContact O-CA 3.19Å; E878-M882 PolarHBondContact O-N 3.22Å; E878-G883 PolarHBondContact O-N 3.31Å
879I82.2Confident80.4Confident57 Ų5770.8 Ų70.829%0.29237%0.367SS..Hα-helixtrans-67.6-43.4175.5-68.7171.5000111.3L875 T876 Y881 M882 L918L875-I879 HydrophobicContact CD2-CD1 3.54Å; L875-I879 HydrophobicContact CD2-CG1 4.49Å; L875-I879 HydrophobicContact CG-CD1 4.19Å; L875-I879 WeakPolarHBondContact O-CB 3.25Å; L875-I879 VanDerWaalsContact O-CG1 3.28Å; L875-I879 WeakPolarHBondContact O-CG1 3.42Å; L875-I879 PolarHBondContact O-N 3.45Å; T876-I879 PolarHBondContact O-N 2.89Å; I879-Y881 PolarHBondContact O-N 3.31Å; I879-M882 PolarHBondContact O-N 3.2Å; I879-L918 HydrophobicContact CB-CD2 4.31Å; I879-L918 HydrophobicContact CG2-CD1 4.32Å; I879-L918 HydrophobicContact CG2-CD2 4.12Å
880Y83.2Confident79.1Confident10 Ų1072 Ų724%0.03938%0.379CS..Hα-helixtrans-62.7-44.2-177.2-173.9-101.6000112.7T876 V877 T910 Y911 R914 M915 L918T876-Y880 WeakPolarHBondContact O-CB 3.38Å; T876-Y880 PolarHBondContact O-N 3.05Å; V877-Y880 PolarHBondContact O-N 3.19Å; Y880-T910 PolarHBondContact OH-N 3.37Å; Y880-Y911 PolarHBondContact OH-N 3.21Å; Y880-Y911 VanDerWaalsContact OH-N 3.15Å; Y880-R914 HydrophobicContact CD2-CB 4.25Å; Y880-R914 HydrophobicContact CE2-CB 4.47Å; Y880-M915 HydrophobicContact CD2-CE 4.14Å; Y880-M915 HydrophobicContact CE1-CE 4.14Å; Y880-M915 HydrophobicContact CE2-CB 3.96Å; Y880-M915 HydrophobicContact CE2-CE 3.7Å; Y880-L918 HydrophobicContact CD2-CD1 4.07Å; Y880-L918 HydrophobicContact CG-CD1 4.4Å
881Y78.5Confident78Confident104 Ų10470.1 Ų70.141%0.40837%0.37SS..THydrogen-bonded Turntrans-92.39.8178.4-67-71.7000113.7V877 I879 G883 Q884V877-Y881 HydrophobicContact CG1-CD2 3.85Å; V877-Y881 HydrophobicContact CG1-CE2 4.23Å; V877-Y881 WeakPolarHBondContact O-CD2 3.36Å; V877-Y881 PolarHBondContact O-N 2.89Å; I879-Y881 PolarHBondContact O-N 3.31Å; Y881-G883 VanDerWaalsContact C-N 3.28Å; Y881-G883 PolarHBondContact O-N 2.93Å; Y881-Q884 WeakPolarHBondContact O-CB 3.47Å; Y881-Q884 PolarHBondContact O-N 3.37Å
882M74.6Confident77.1Confident4 Ų471.5 Ų71.52%0.0238%0.382CS..THydrogen-bonded Turntrans5245.5178.8-58.8166.3129.600112.3M655 L659 L664 H828 V831 E878 I879 Q884 R914 V1057M655-M882 HydrophobicContact CE-CG 4.36Å; M655-M882 HydrophobicContact CE-SD 3.57Å; M655-M882 VanDerWaalsContact CE-SD 3.57Å; L659-M882 HydrophobicContact CD2-CE 3.58Å; L659-M882 HydrophobicContact CD2-SD 3.68Å; L664-M882 HydrophobicContact CD1-CE 3.82Å; L664-M882 HydrophobicContact CD1-SD 4.47Å; H828-M882 WeakPolarHBondContact NE2-CE 3.45Å; V831-M882 WeakPolarHBondContact CG1-O 3.23Å; E878-M882 CarbonylContact O-C 3.57Å; E878-M882 WeakPolarHBondContact O-CA 3.19Å; E878-M882 PolarHBondContact O-N 3.22Å; I879-M882 PolarHBondContact O-N 3.2Å; M882-Q884 WeakPolarHBondContact O-CG 3.36Å; M882-Q884 PolarHBondContact O-N 2.87Å; M882-Q884 VanDerWaalsContact O-N 3.11Å; M882-R914 VanDerWaalsContact CE-CZ 3.47Å; M882-R914 VanDerWaalsContact CE-NH1 3.29Å; M882-R914 VanDerWaalsContact CE-NH2 3.26Å; M882-R914 PolarHBondContact SD-NH1 2.91Å; M882-R914 VanDerWaalsContact SD-NH1 3.43Å; M882-V1057 HydrophobicContact CE-CB 4.45Å; M882-V1057 HydrophobicContact CE-CG1 3.42Å; M882-V1057 VanDerWaalsContact CE-CG1 3.42Å
883G67.7Low76.2Confident36 Ų3678.6 Ų78.637%0.37141%0.408SS..THydrogen-bonded Turntrans67.80.7-176.400000115.5E878 Y881 W885E878-G883 PolarHBondContact O-N 3.31Å; Y881-G883 VanDerWaalsContact C-N 3.28Å; Y881-G883 PolarHBondContact O-N 2.93Å; G883-W885 VanDerWaalsContact C-N 3.34Å; G883-W885 PolarHBondContact O-N 3.04Å
884Q70.6Confident75.4Confident77 Ų7783.7 Ų83.736%0.3642%0.419SS..  trans-92.957.4-175.6-55.1-135.5-67.500112.6Y653 Y881 M882Y653-Q884 VanDerWaalsContact CD2-OE1 3.3Å; Y881-Q884 WeakPolarHBondContact O-CB 3.47Å; Y881-Q884 PolarHBondContact O-N 3.37Å; M882-Q884 WeakPolarHBondContact O-CG 3.36Å; M882-Q884 PolarHBondContact O-N 2.87Å; M882-Q884 VanDerWaalsContact O-N 3.11Å
885W70.2Confident74.6Confident89 Ų8984.3 Ų84.334%0.33742%0.423SS..  trans-132.7148.7174.376.7-55.8000110.2I874 V877 G883 I887I874-W885 HydrophobicContact CG2-CZ2 4.3Å; V877-W885 HydrophobicContact CG1-CD2 3.55Å; V877-W885 HydrophobicContact CG1-CE3 3.53Å; V877-W885 HydrophobicContact CG1-CG 4.09Å; V877-W885 HydrophobicContact CG1-CH2 4.08Å; V877-W885 HydrophobicContact CG1-CZ2 4.14Å; V877-W885 HydrophobicContact CG1-CZ3 3.79Å; G883-W885 VanDerWaalsContact C-N 3.34Å; G883-W885 PolarHBondContact O-N 3.04Å; W885-I887 HydrophobicContact CE3-CD1 4.41Å; W885-I887 HydrophobicContact CE3-CG1 3.88Å; W885-I887 HydrophobicContact CH2-CD1 3.54Å; W885-I887 HydrophobicContact CH2-CG1 3.95Å; W885-I887 HydrophobicContact CZ2-CD1 4.26Å; W885-I887 HydrophobicContact CZ3-CD1 3.62Å; W885-I887 HydrophobicContact CZ3-CG1 3.53Å
886N65.9Low74.1Confident127 Ų12786.3 Ų86.368%0.67943%0.425SS*.  trans-138.6132178.9-149.410000108.9D888 L891N886-D888 PolarHBondContact O-N 2.85Å; N886-L891 VanDerWaalsContact O-CD1 3.3Å; N886-L891 WeakPolarHBondContact O-CD1 3.45Å
887I65.5Low73.3Confident118 Ų11890.8 Ų90.861%0.60544%0.44SS*.  trans-91.781.7-173.4-50.1177.8000109.8W885W885-I887 HydrophobicContact CE3-CD1 4.41Å; W885-I887 HydrophobicContact CE3-CG1 3.88Å; W885-I887 HydrophobicContact CH2-CD1 3.54Å; W885-I887 HydrophobicContact CH2-CG1 3.95Å; W885-I887 HydrophobicContact CZ2-CD1 4.26Å; W885-I887 HydrophobicContact CZ3-CD1 3.62Å; W885-I887 HydrophobicContact CZ3-CG1 3.53Å
888D73.5Confident72.5Confident79 Ų7993.1 Ų93.142%0.42245%0.451SS..  trans-73.9145.7172.1-59-32.4000110.8N886 C890 L891N886-D888 PolarHBondContact O-N 2.85Å; D888-C890 PolarHBondContact O-N 3.49Å; D888-L891 WeakPolarHBondContact O-CB 3.16Å; D888-L891 PolarHBondContact O-N 2.87Å
889L70.4Confident72Confident172 Ų17292.9 Ų92.990%0.90145%0.451SS*.THydrogen-bonded Turntrans-58.3-21.2172.2-87.877.8000113.1
890C66.5Low71.6Confident83 Ų8398.7 Ų98.756%0.56147%0.47SS*.THydrogen-bonded Turntrans-84.2-5.3175.8-71.40000114.3D888 R893 R894D888-C890 PolarHBondContact O-N 3.49Å; C890-R893 WeakPolarHBondContact O-CB 3.19Å; C890-R893 PolarHBondContact O-N 3.16Å; C890-R893 VanDerWaalsContact O-N 3.15Å; C890-R894 PolarHBondContact O-N 3.16Å
891L69.7Low71Confident53 Ų53103 Ų10328%0.27750%0.498SS..Hα-helixtrans-59.1-47.4-177.3-155.3164.4000113.6N886 D888 R893 R894 I895N886-L891 VanDerWaalsContact O-CD1 3.3Å; N886-L891 WeakPolarHBondContact O-CD1 3.45Å; D888-L891 WeakPolarHBondContact O-CB 3.16Å; D888-L891 PolarHBondContact O-N 2.87Å; L891-R893 VanDerWaalsContact C-N 3.28Å; L891-R893 PolarHBondContact O-N 3.17Å; L891-R894 WeakPolarHBondContact O-CB 3.43Å; L891-R894 PolarHBondContact O-N 3.42Å; L891-R894 VanDerWaalsContact O-N 3.09Å; L891-I895 HydrophobicContact CD2-CD1 3.37Å; L891-I895 HydrophobicContact CD2-CG1 3.89Å; L891-I895 PolarHBondContact O-N 3.45Å
892P69.8Low70.3Confident91 Ų91102.6 Ų102.659%0.59150%0.502SS*.Hα-helixtrans-61.8-33.9174.123-33.9000113Y896P892-Y896 WeakPolarHBondContact O-CB 3.46Å; P892-Y896 PolarHBondContact O-N 2.91Å
893R72.4Confident70Confident156 Ų156104.3 Ų104.359%0.58952%0.521SS*.Hα-helixtrans-67-38.7174-172.7176.4-178.6-165.1-4.1111.3C890 L891 Y896 Y897C890-R893 WeakPolarHBondContact O-CB 3.19Å; C890-R893 PolarHBondContact O-N 3.16Å; C890-R893 VanDerWaalsContact O-N 3.15Å; L891-R893 VanDerWaalsContact C-N 3.28Å; L891-R893 PolarHBondContact O-N 3.17Å; R893-Y896 PolarHBondContact O-N 3.48Å; R893-Y897 HydrophobicContact CG-CD2 4Å; R893-Y897 HydrophobicContact CG-CE2 3.66Å; R893-Y897 PolarHBondContact NH2-OH 2.65Å; R893-Y897 WeakPolarHBondContact O-CD2 3.38Å; R893-Y897 PolarHBondContact O-N 3.36Å
894R72.3Confident69.7Low178 Ų178109.7 Ų109.767%0.67254%0.54SS*.Hα-helixtrans-64.5-47.4174.1-120.7179.7-170.4158.63.1111.8C890 L891 Y896 Y897 L898C890-R894 PolarHBondContact O-N 3.16Å; L891-R894 WeakPolarHBondContact O-CB 3.43Å; L891-R894 PolarHBondContact O-N 3.42Å; L891-R894 VanDerWaalsContact O-N 3.09Å; R894-Y896 VanDerWaalsContact C-N 3.35Å; R894-Y896 PolarHBondContact O-N 2.95Å; R894-Y897 PolarHBondContact O-N 3Å; R894-L898 PolarHBondContact O-N 3.06Å
895I71.6Confident69.2Low87 Ų87108.3 Ų108.345%0.44655%0.546SS..Hα-helixtrans-59-46175.2-72.3174000110.5L891 Y897 L898 I899L891-I895 HydrophobicContact CD2-CD1 3.37Å; L891-I895 HydrophobicContact CD2-CG1 3.89Å; L891-I895 PolarHBondContact O-N 3.45Å; I895-Y897 PolarHBondContact O-N 3.44Å; I895-L898 PolarHBondContact O-N 3.3Å; I895-I899 HydrophobicContact CG2-CD1 3.56Å; I895-I899 HydrophobicContact CG2-CG1 4.23Å; I895-I899 WeakPolarHBondContact O-CB 3.41Å; I895-I899 WeakPolarHBondContact O-CG1 3.34Å; I895-I899 PolarHBondContact O-N 3.08Å
896Y75.7Confident68.7Low128 Ų128106.7 Ų106.750%0.50255%0.548SS..Hα-helixtrans-59.2-43.9177.6177.9-95.8000112.4P892 R893 R894 R900P892-Y896 WeakPolarHBondContact O-CB 3.46Å; P892-Y896 PolarHBondContact O-N 2.91Å; R893-Y896 PolarHBondContact O-N 3.48Å; R894-Y896 VanDerWaalsContact C-N 3.35Å; R894-Y896 PolarHBondContact O-N 2.95Å; Y896-R900 VanDerWaalsContact O-CB 3.23Å; Y896-R900 WeakPolarHBondContact O-CB 3.48Å; Y896-R900 PolarHBondContact O-N 2.86Å; Y896-R900 PolarHBondContact OH-NH1 3.36Å
897Y70.6Confident68.6Low120 Ų120107.3 Ų107.347%0.47155%0.551SS.*Hα-helixtrans-65.3-42.2174.2-76.1-61.4000112.3R893 R894 I895 R900 T901R893-Y897 HydrophobicContact CG-CD2 4Å; R893-Y897 HydrophobicContact CG-CE2 3.66Å; R893-Y897 PolarHBondContact NH2-OH 2.65Å; R893-Y897 WeakPolarHBondContact O-CD2 3.38Å; R893-Y897 PolarHBondContact O-N 3.36Å; R894-Y897 PolarHBondContact O-N 3Å; I895-Y897 PolarHBondContact O-N 3.44Å; Y897-R900 CarbonylContact O-C 3.58Å; Y897-R900 PolarHBondContact O-N 3.41Å; Y897-R900 VanDerWaalsContact O-N 3.12Å; Y897-T901 WeakPolarHBondContact O-CG2 3.39Å; Y897-T901 PolarHBondContact O-N 3.44Å; Y897-T901 PolarHBondContact O-OG1 3Å
898L68.5Low68.6Low87 Ų87112.4 Ų112.446%0.45556%0.562SS.*Hα-helixtrans-62.2-45.5179.2-134.192.9000112.2R894 I895 R900 T901 D902R894-L898 PolarHBondContact O-N 3.06Å; I895-L898 PolarHBondContact O-N 3.3Å; L898-R900 PolarHBondContact O-N 2.82Å; L898-T901 PolarHBondContact O-N 3.35Å; L898-T901 PolarHBondContact O-OG1 3.33Å; L898-D902 WeakPolarHBondContact O-CB 3.42Å; L898-D902 PolarHBondContact O-N 3.37Å
899I72.4Confident68.4Low94 Ų94110.5 Ų110.548%0.48255%0.554SS.*Hα-helixtrans-61.2-36.7174.8-68.5171.4000110.4I895 G903I895-I899 HydrophobicContact CG2-CD1 3.56Å; I895-I899 HydrophobicContact CG2-CG1 4.23Å; I895-I899 WeakPolarHBondContact O-CB 3.41Å; I895-I899 WeakPolarHBondContact O-CG1 3.34Å; I895-I899 PolarHBondContact O-N 3.08Å; I899-G903 VanDerWaalsContact O-CA 3.29Å; I899-G903 WeakPolarHBondContact O-CA 3.48Å; I899-G903 PolarHBondContact O-N 3.31Å; I899-G903 VanDerWaalsContact O-N 3.09Å
900R74.7Confident68.3Low179 Ų179105.9 Ų105.968%0.67553%0.533SS*.Hα-helixtrans-76.5-26.7-179.7-172.7170.3178.8149.60.2113.9Y896 Y897 L898Y896-R900 VanDerWaalsContact O-CB 3.23Å; Y896-R900 WeakPolarHBondContact O-CB 3.48Å; Y896-R900 PolarHBondContact O-N 2.86Å; Y896-R900 PolarHBondContact OH-NH1 3.36Å; Y897-R900 CarbonylContact O-C 3.58Å; Y897-R900 PolarHBondContact O-N 3.41Å; Y897-R900 VanDerWaalsContact O-N 3.12Å; L898-R900 PolarHBondContact O-N 2.82Å
901T71Confident68.7Low102 Ų102102.9 Ų102.963%0.62651%0.51SS*.Hα-helixtrans-89.9-42.3176.857.40000112.9Y897 L898Y897-T901 WeakPolarHBondContact O-CG2 3.39Å; Y897-T901 PolarHBondContact O-N 3.44Å; Y897-T901 PolarHBondContact O-OG1 3Å; L898-T901 PolarHBondContact O-N 3.35Å; L898-T901 PolarHBondContact O-OG1 3.33Å
902D62.1Low69.2Low94 Ų94105.7 Ų105.750%0.50353%0.525SS..Hα-helixtrans-103.5-10.8-168.9-626.4000112.6L898 I904 G905L898-D902 WeakPolarHBondContact O-CB 3.42Å; L898-D902 PolarHBondContact O-N 3.37Å; D902-I904 PolarHBondContact O-N 2.86Å; D902-G905 WeakPolarHBondContact O-CA 3.34Å; D902-G905 PolarHBondContact O-N 2.8Å
903G68.4Low69.6Low41 Ų41104.7 Ų104.742%0.42351%0.512SS..G310 helixtrans55.3-130.2178.500000112.6I899 G905 C906I899-G903 VanDerWaalsContact O-CA 3.29Å; I899-G903 WeakPolarHBondContact O-CA 3.48Å; I899-G903 PolarHBondContact O-N 3.31Å; I899-G903 VanDerWaalsContact O-N 3.09Å; G903-G905 PolarHBondContact O-N 3.4Å; G903-C906 WeakPolarHBondContact O-CB 3.42Å; G903-C906 PolarHBondContact O-N 3.48Å
904I62.4Low70.1Confident149 Ų14998 Ų9876%0.76449%0.487SS*.G310 helixtrans-63.7-20.6177.8-62.9169.5000111.8D902 C906 L907D902-I904 PolarHBondContact O-N 2.86Å; I904-C906 PolarHBondContact O-N 2.89Å; I904-L907 HydrophobicContact CG2-CD1 4.4Å; I904-L907 WeakPolarHBondContact O-CB 3.42Å; I904-L907 PolarHBondContact O-N 3.35Å; I904-L907 VanDerWaalsContact O-N 3.11Å
905G60.9Low70.7Confident48 Ų4893 Ų9350%0.49547%0.472SS..G310 helixtrans-59.1-29.4176.400000113.8D902 G903 L907 R908D902-G905 WeakPolarHBondContact O-CA 3.34Å; D902-G905 PolarHBondContact O-N 2.8Å; G903-G905 PolarHBondContact O-N 3.4Å; G905-L907 PolarHBondContact O-N 3.27Å; G905-L907 VanDerWaalsContact O-N 3.15Å; G905-R908 WeakPolarHBondContact O-CB 3.24Å; G905-R908 PolarHBondContact O-N 2.88Å
906C59.7Low71.4Confident54 Ų5493.7 Ų93.737%0.36548%0.476SS..G310 helixtrans-62.4-19.1177.2-172.70000113.6G903 I904 R908G903-C906 WeakPolarHBondContact O-CB 3.42Å; G903-C906 PolarHBondContact O-N 3.48Å; I904-C906 PolarHBondContact O-N 2.89Å; C906-R908 VanDerWaalsContact C-N 3.33Å
907L63.7Low71.8Confident141 Ų14188.9 Ų88.974%0.73846%0.459SS*.G310 helixtrans-82.6-4.8178.8-76.2152000113.8I904 G905 P909I904-L907 HydrophobicContact CG2-CD1 4.4Å; I904-L907 WeakPolarHBondContact O-CB 3.42Å; I904-L907 PolarHBondContact O-N 3.35Å; I904-L907 VanDerWaalsContact O-N 3.11Å; G905-L907 PolarHBondContact O-N 3.27Å; G905-L907 VanDerWaalsContact O-N 3.15Å; L907-P909 WeakPolarHBondContact O-CD 3.4Å
908R63.7Low72.5Confident225 Ų22583.7 Ų83.785%0.84944%0.439SS*.SBendtrans-79109.6-176.3-144.3176.3-166.3177.54.1109.9G905 C906 T910G905-R908 WeakPolarHBondContact O-CB 3.24Å; G905-R908 PolarHBondContact O-N 2.88Å; C906-R908 VanDerWaalsContact C-N 3.33Å; R908-T910 PolarHBondContact O-N 2.91Å
909P69.8Low73.5Confident38 Ų3884.9 Ų84.925%0.24745%0.446CS..  trans-73127.8-172.729.4-34.6000111.3L907 Y911 L912 M915L907-P909 WeakPolarHBondContact O-CD 3.4Å; P909-Y911 PolarHBondContact O-N 3.43Å; P909-L912 HydrophobicContact CG-CB 4.04Å; P909-L912 HydrophobicContact CG-CD1 4.39Å; P909-L912 HydrophobicContact CG-CG 4.25Å; P909-M915 HydrophobicContact CB-CB 3.76Å; P909-M915 HydrophobicContact CB-CE 4.06Å; P909-M915 HydrophobicContact CB-CG 3.9Å; P909-M915 HydrophobicContact CG-CB 4.23Å; P909-M915 HydrophobicContact CG-CG 4.31Å
910T68.9Low74.5Confident76 Ų7684.2 Ų84.247%0.46644%0.442SS..THydrogen-bonded Turntrans-51.4-39.1172.3-33.90000112.5Y880 R908Y880-T910 PolarHBondContact OH-N 3.37Å; R908-T910 PolarHBondContact O-N 2.91Å
911Y74.3Confident75.2Confident19 Ų1976.4 Ų76.48%0.07542%0.416CS..THydrogen-bonded Turntrans-123.477.6179.1-58-64.1000110.2M655 N656 V657 Y880 P909 E913 R914 M915M655-Y911 WeakPolarHBondContact CB-OH 3.49Å; M655-Y911 HydrophobicContact CE-CE2 3.81Å; M655-Y911 HydrophobicContact SD-CE2 4.07Å; N656-Y911 PolarHBondContact O-OH 2.91Å; V657-Y911 WeakPolarHBondContact O-CE1 3.3Å; Y880-Y911 PolarHBondContact OH-N 3.21Å; Y880-Y911 VanDerWaalsContact OH-N 3.15Å; P909-Y911 PolarHBondContact O-N 3.43Å; Y911-E913 VanDerWaalsContact C-N 3.27Å; Y911-E913 PolarHBondContact O-N 2.87Å; Y911-R914 PolarHBondContact O-N 3.01Å; Y911-M915 PolarHBondContact O-N 3.05Å
912L79.8Confident76.3Confident112 Ų11272.3 Ų72.359%0.58639%0.39SS*.Hα-helixtrans-53.3-40.2-174.5-175.2143.9000113.6P909 M915 L916P909-L912 HydrophobicContact CG-CB 4.04Å; P909-L912 HydrophobicContact CG-CD1 4.39Å; P909-L912 HydrophobicContact CG-CG 4.25Å; L912-M915 PolarHBondContact O-N 3.32Å; L912-L916 WeakPolarHBondContact O-CB 3.15Å; L912-L916 PolarHBondContact O-N 3.36Å
913E79.8Confident77.8Confident71 Ų7172.9 Ų72.933%0.33239%0.393SS..Hα-helixtrans-69.9-37-177.2-50.7-161159.800112.6Y911 L917 M962 R965Y911-E913 VanDerWaalsContact C-N 3.27Å; Y911-E913 PolarHBondContact O-N 2.87Å; E913-L917 PolarHBondContact O-N 3.36Å; E913-M962 HydrophobicContact CB-CE 4.11Å; E913-M962 WeakPolarHBondContact OE2-CE 3.24Å; E913-R965 WeakPolarHBondContact OE1-CD 3.28Å; E913-R965 IonicContact OE1-CZ 2.81Å; E913-R965 IonicContact OE1-NE 3.67Å; E913-R965 IonicContact OE1-NH1 2.66Å; E913-R965 PolarHBondContact OE1-NH1 2.86Å; E913-R965 VanDerWaalsContact OE2-CD 3.23Å; E913-R965 WeakPolarHBondContact OE2-CD 3.1Å; E913-R965 IonicContact OE2-CZ 3.88Å; E913-R965 IonicContact OE2-NE 2.71Å; E913-R965 IonicContact OE2-NH1 3.52Å; E913-R965 PolarHBondContact OE2-NH1 3.07Å
914R81.5Confident79.1Confident16 Ų1673 Ų736%0.0639%0.385CS..Hα-helixtrans-70.1-42.6172.7-66.4-175.6-173.5145.211.4111.6Y880 M882 Y911 L916 L917 L918 V1057 F1058Y880-R914 HydrophobicContact CD2-CB 4.25Å; Y880-R914 HydrophobicContact CE2-CB 4.47Å; M882-R914 VanDerWaalsContact CE-CZ 3.47Å; M882-R914 VanDerWaalsContact CE-NH1 3.29Å; M882-R914 VanDerWaalsContact CE-NH2 3.26Å; M882-R914 PolarHBondContact SD-NH1 2.91Å; M882-R914 VanDerWaalsContact SD-NH1 3.43Å; Y911-R914 PolarHBondContact O-N 3.01Å; R914-L916 VanDerWaalsContact C-N 3.29Å; R914-L916 PolarHBondContact O-N 3.31Å; R914-L917 PolarHBondContact O-N 2.81Å; R914-L918 WeakPolarHBondContact O-CB 3.12Å; R914-L918 VanDerWaalsContact O-CG 3.29Å; R914-L918 WeakPolarHBondContact O-CG 3.38Å; R914-L918 PolarHBondContact O-N 2.86Å; R914-V1057 PolarHBondContact NH2-O 3.09Å; R914-F1058 WeakPolarHBondContact CD-OXT 3.41Å; R914-F1058 WeakPolarHBondContact CG-OXT 2.99Å; R914-F1058 PolarHBondContact NE-OXT 3.46Å
915M85.2Confident80.6Confident73 Ų7366.3 Ų66.336%0.3635%0.351SS..Hα-helixtrans-58.7-43.1177.1-174.162.278.300111.1Y880 P909 Y911 L912 L918 L919Y880-M915 HydrophobicContact CD2-CE 4.14Å; Y880-M915 HydrophobicContact CE1-CE 4.14Å; Y880-M915 HydrophobicContact CE2-CB 3.96Å; Y880-M915 HydrophobicContact CE2-CE 3.7Å; P909-M915 HydrophobicContact CB-CB 3.76Å; P909-M915 HydrophobicContact CB-CE 4.06Å; P909-M915 HydrophobicContact CB-CG 3.9Å; P909-M915 HydrophobicContact CG-CB 4.23Å; P909-M915 HydrophobicContact CG-CG 4.31Å; Y911-M915 PolarHBondContact O-N 3.05Å; L912-M915 PolarHBondContact O-N 3.32Å; M915-L918 PolarHBondContact O-N 2.86Å; M915-L919 WeakPolarHBondContact O-CB 3.49Å; M915-L919 PolarHBondContact O-N 2.8Å
916L86Confident82.2Confident101 Ų10168.2 Ų68.253%0.52935%0.346SS..Hα-helixtrans-66-42179.1-174142.2000112.4L912 R914 I920L912-L916 WeakPolarHBondContact O-CB 3.15Å; L912-L916 PolarHBondContact O-N 3.36Å; R914-L916 VanDerWaalsContact C-N 3.29Å; R914-L916 PolarHBondContact O-N 3.31Å; L916-I920 HydrophobicContact CD2-CD1 3.65Å; L916-I920 HydrophobicContact CG-CD1 4.31Å; L916-I920 VanDerWaalsContact O-CG1 3.31Å; L916-I920 WeakPolarHBondContact O-CG1 3.2Å; L916-I920 PolarHBondContact O-N 3.04Å; L916-I920 VanDerWaalsContact O-N 3.15Å
917L84.1Confident83.9Confident27 Ų2770 Ų7014%0.14136%0.355CS..Hα-helixtrans-56.5-53.3171.3172.167.3000111.1E913 R914 L919 I920 A921 F958E913-L917 PolarHBondContact O-N 3.36Å; R914-L917 PolarHBondContact O-N 2.81Å; L917-L919 VanDerWaalsContact C-N 3.29Å; L917-L919 PolarHBondContact O-N 3.19Å; L917-I920 PolarHBondContact O-N 2.87Å; L917-I920 VanDerWaalsContact O-N 3.16Å; L917-A921 WeakPolarHBondContact O-CB 3.22Å; L917-A921 PolarHBondContact O-N 3.25Å; L917-F958 HydrophobicContact CB-CD2 3.89Å; L917-F958 HydrophobicContact CB-CE2 3.76Å; L917-F958 HydrophobicContact CB-CZ 4.31Å; L917-F958 HydrophobicContact CD1-CB 3.72Å; L917-F958 HydrophobicContact CD1-CD2 3.7Å; L917-F958 HydrophobicContact CD1-CE2 4.42Å; L917-F958 HydrophobicContact CD1-CG 3.74Å; L917-F958 HydrophobicContact CD2-CB 4.25Å; L917-F958 HydrophobicContact CD2-CD1 3.54Å; L917-F958 HydrophobicContact CD2-CD2 3.77Å; L917-F958 HydrophobicContact CD2-CE1 3.66Å; L917-F958 HydrophobicContact CD2-CE2 3.88Å; L917-F958 HydrophobicContact CD2-CG 3.57Å; L917-F958 HydrophobicContact CD2-CZ 3.81Å; L917-F958 HydrophobicContact CG-CD2 3.97Å; L917-F958 HydrophobicContact CG-CE2 4.22Å; L917-F958 HydrophobicContact CG-CG 4.12Å
918L86.8Confident85.4Confident10 Ų1064.4 Ų64.45%0.05233%0.326CS..Hα-helixtrans-65.5-34.2-173.3-71.2167.9000111.7T876 I879 Y880 R914 M915 A921 N922T876-L918 HydrophobicContact CG2-CB 3.94Å; T876-L918 HydrophobicContact CG2-CD1 4.2Å; T876-L918 HydrophobicContact CG2-CD2 4.23Å; T876-L918 HydrophobicContact CG2-CG 4.35Å; I879-L918 HydrophobicContact CB-CD2 4.31Å; I879-L918 HydrophobicContact CG2-CD1 4.32Å; I879-L918 HydrophobicContact CG2-CD2 4.12Å; Y880-L918 HydrophobicContact CD2-CD1 4.07Å; Y880-L918 HydrophobicContact CG-CD1 4.4Å; R914-L918 WeakPolarHBondContact O-CB 3.12Å; R914-L918 VanDerWaalsContact O-CG 3.29Å; R914-L918 WeakPolarHBondContact O-CG 3.38Å; R914-L918 PolarHBondContact O-N 2.86Å; M915-L918 PolarHBondContact O-N 2.86Å; L918-A921 PolarHBondContact O-N 3.07Å; L918-N922 PolarHBondContact O-N 2.82Å; L918-N922 PolarHBondContact O-ND2 3.21Å
919L89.5Confident86.8Confident113 Ų11353.8 Ų53.859%0.59229%0.286SS*.Hα-helixtrans-66-42.1173.6-171.5145.7000111.8M915 L917 L923M915-L919 WeakPolarHBondContact O-CB 3.49Å; M915-L919 PolarHBondContact O-N 2.8Å; L917-L919 VanDerWaalsContact C-N 3.29Å; L917-L919 PolarHBondContact O-N 3.19Å; L919-L923 WeakPolarHBondContact O-CB 3.32Å; L919-L923 PolarHBondContact O-N 3.36Å
920I91.6Very high88Confident79 Ų7953.6 Ų53.641%0.40529%0.291SS..Hα-helixtrans-66.4-42.2174.7-63.2168.4000110.7L916 L917 L923 V924 M954L916-I920 HydrophobicContact CD2-CD1 3.65Å; L916-I920 HydrophobicContact CG-CD1 4.31Å; L916-I920 VanDerWaalsContact O-CG1 3.31Å; L916-I920 WeakPolarHBondContact O-CG1 3.2Å; L916-I920 PolarHBondContact O-N 3.04Å; L916-I920 VanDerWaalsContact O-N 3.15Å; L917-I920 PolarHBondContact O-N 2.87Å; L917-I920 VanDerWaalsContact O-N 3.16Å; I920-L923 PolarHBondContact O-N 2.85Å; I920-V924 WeakPolarHBondContact O-CG2 3.38Å; I920-V924 PolarHBondContact O-N 2.86Å; I920-M954 HydrophobicContact CG2-CE 3.81Å
921A90.7Very high89.2Confident15 Ų1556.4 Ų56.412%0.12429%0.294CS..Hα-helixtrans-61.3-46177.100000112.4L917 L918 V924 N925 M954L917-A921 WeakPolarHBondContact O-CB 3.22Å; L917-A921 PolarHBondContact O-N 3.25Å; L918-A921 PolarHBondContact O-N 3.07Å; A921-V924 PolarHBondContact O-N 3.29Å; A921-N925 WeakPolarHBondContact O-CB 3.2Å; A921-N925 PolarHBondContact O-N 3.46Å; A921-N925 PolarHBondContact O-ND2 3.47Å; A921-M954 HydrophobicContact CB-CE 4.14Å
922N92.8Very high90Very high16 Ų1655.5 Ų55.59%0.08629%0.291CS..Hα-helixtrans-65.3-40.1174.2-76.6-77000112S872 T876 L918 V924 N925 F926S872-N922 PolarHBondContact OG-OD1 2.8Å; T876-N922 PolarHBondContact OG1-ND2 3.49Å; L918-N922 PolarHBondContact O-N 2.82Å; L918-N922 PolarHBondContact O-ND2 3.21Å; N922-V924 VanDerWaalsContact C-N 3.31Å; N922-V924 PolarHBondContact O-N 3.47Å; N922-N925 PolarHBondContact O-N 3.44Å; N922-F926 HydrophobicContact CB-CE1 4.06Å; N922-F926 HydrophobicContact CB-CE2 4.2Å; N922-F926 HydrophobicContact CB-CZ 3.9Å; N922-F926 VanDerWaalsContact O-CB 3.26Å; N922-F926 WeakPolarHBondContact O-CB 3.41Å; N922-F926 WeakPolarHBondContact O-CD1 3.46Å; N922-F926 WeakPolarHBondContact O-CG 3.3Å; N922-F926 PolarHBondContact O-N 3.34Å
923L94.9Very high90.6Very high106 Ų10653.3 Ų53.356%0.55528%0.279SS*.Hα-helixtrans-58.8-43.6176.5-178.564.3000111.8L919 I920 T927L919-L923 WeakPolarHBondContact O-CB 3.32Å; L919-L923 PolarHBondContact O-N 3.36Å; I920-L923 PolarHBondContact O-N 2.85Å; L923-T927 WeakPolarHBondContact O-CB 3.32Å; L923-T927 PolarHBondContact O-N 2.97Å; L923-T927 PolarHBondContact O-OG1 3.4Å
924V95Very high91.1Very high44 Ų4455.2 Ų55.227%0.26730%0.295SS..Hα-helixtrans-65.8-48.7175.41730000110.9I920 A921 N922 F926 T927 I928 I950 M954I920-V924 WeakPolarHBondContact O-CG2 3.38Å; I920-V924 PolarHBondContact O-N 2.86Å; A921-V924 PolarHBondContact O-N 3.29Å; N922-V924 VanDerWaalsContact C-N 3.31Å; N922-V924 PolarHBondContact O-N 3.47Å; V924-F926 VanDerWaalsContact C-N 3.34Å; V924-F926 PolarHBondContact O-N 2.94Å; V924-T927 WeakPolarHBondContact O-CB 3.45Å; V924-T927 PolarHBondContact O-N 3.34Å; V924-T927 VanDerWaalsContact O-N 3.15Å; V924-I928 HydrophobicContact CG1-CD1 3.8Å; V924-I928 HydrophobicContact CG1-CG1 4.5Å; V924-I928 WeakPolarHBondContact O-CG1 3.45Å; V924-I928 PolarHBondContact O-N 2.89Å; V924-I950 HydrophobicContact CG1-CG2 3.67Å; V924-M954 HydrophobicContact CB-CE 4.3Å; V924-M954 HydrophobicContact CB-SD 3.91Å; V924-M954 HydrophobicContact CG1-SD 3.84Å; V924-M954 HydrophobicContact CG2-CE 3.98Å; V924-M954 HydrophobicContact CG2-SD 3.93Å
925N94.8Very high91.6Very high8 Ų861.3 Ų61.34%0.04332%0.322CS..Hα-helixtrans-60.7-40.2178-75.1-30.5000112.8F868 A921 N922 T927 I928 A929 N951F868-N925 HydrophobicContact CE1-CB 4.13Å; F868-N925 HydrophobicContact CZ-CB 3.93Å; A921-N925 WeakPolarHBondContact O-CB 3.2Å; A921-N925 PolarHBondContact O-N 3.46Å; A921-N925 PolarHBondContact O-ND2 3.47Å; N922-N925 PolarHBondContact O-N 3.44Å; N925-T927 VanDerWaalsContact C-N 3.33Å; N925-I928 PolarHBondContact O-N 3.44Å; N925-A929 WeakPolarHBondContact O-CB 3.46Å; N925-A929 PolarHBondContact O-N 3.01Å; N925-N951 PolarHBondContact ND2-OD1 2.92Å; N925-N951 PolarHBondContact OD1-ND2 2.77Å; N925-N951 PolarHBondContact OD1-OD1 2.76Å
926F94.8Very high91.8Very high89 Ų8963.1 Ų63.139%0.3933%0.325SS..Hα-helixtrans-68.3-35.1177.4-64.5-0.6000111.2L869 V873 N922 V924 A929 G930L869-F926 HydrophobicContact CD2-CB 4.39Å; L869-F926 HydrophobicContact CD2-CD1 3.22Å; L869-F926 HydrophobicContact CD2-CE1 3.61Å; L869-F926 HydrophobicContact CD2-CG 3.91Å; V873-F926 HydrophobicContact CG2-CZ 4.13Å; N922-F926 HydrophobicContact CB-CE1 4.06Å; N922-F926 HydrophobicContact CB-CE2 4.2Å; N922-F926 HydrophobicContact CB-CZ 3.9Å; N922-F926 VanDerWaalsContact O-CB 3.26Å; N922-F926 WeakPolarHBondContact O-CB 3.41Å; N922-F926 WeakPolarHBondContact O-CD1 3.46Å; N922-F926 WeakPolarHBondContact O-CG 3.3Å; N922-F926 PolarHBondContact O-N 3.34Å; V924-F926 VanDerWaalsContact C-N 3.34Å; V924-F926 PolarHBondContact O-N 2.94Å; F926-A929 PolarHBondContact O-N 3.5Å; F926-G930 PolarHBondContact O-N 3.41Å
927T95.4Very high91.9Very high92 Ų9259.9 Ų59.956%0.56431%0.31SS*.Hα-helixtrans-65.3-43.8173-55.40000111.4L923 V924 N925 G930 Y931L923-T927 WeakPolarHBondContact O-CB 3.32Å; L923-T927 PolarHBondContact O-N 2.97Å; L923-T927 PolarHBondContact O-OG1 3.4Å; V924-T927 WeakPolarHBondContact O-CB 3.45Å; V924-T927 PolarHBondContact O-N 3.34Å; V924-T927 VanDerWaalsContact O-N 3.15Å; N925-T927 VanDerWaalsContact C-N 3.33Å; T927-G930 PolarHBondContact O-N 3.27Å; T927-Y931 PolarHBondContact O-N 2.86Å
928I94.6Very high91.8Very high22 Ų2263.6 Ų63.611%0.11332%0.322CS..Hα-helixtrans-64.5-40.9175.8-64.1162.5000110.9V924 N925 Y931 G932 F943 I947 I950V924-I928 HydrophobicContact CG1-CD1 3.8Å; V924-I928 HydrophobicContact CG1-CG1 4.5Å; V924-I928 WeakPolarHBondContact O-CG1 3.45Å; V924-I928 PolarHBondContact O-N 2.89Å; N925-I928 PolarHBondContact O-N 3.44Å; I928-Y931 WeakPolarHBondContact O-CB 3.25Å; I928-Y931 PolarHBondContact O-N 3.08Å; I928-G932 PolarHBondContact O-N 3.05Å; I928-F943 HydrophobicContact CG2-CE2 3.65Å; I928-F943 HydrophobicContact CG2-CZ 3.9Å; I928-I947 HydrophobicContact CG2-CD1 4.45Å; I928-I947 HydrophobicContact CG2-CG1 3.85Å; I928-I950 HydrophobicContact CD1-CB 4.39Å; I928-I950 HydrophobicContact CD1-CD1 3.68Å; I928-I950 HydrophobicContact CD1-CG2 4.16Å; I928-I950 HydrophobicContact CG1-CD1 4.45Å
929A93.6Very high91.7Very high3 Ų363.6 Ų63.63%0.02532%0.322CS..Hα-helixtrans-61.8-43.4175.100000112T865 F868 L869 N925 F926 G932 I933T865-A929 HydrophobicContact CG2-CB 4.32Å; F868-A929 HydrophobicContact CD1-CB 3.92Å; F868-A929 HydrophobicContact CE1-CB 4.1Å; L869-A929 HydrophobicContact CD2-CB 4.04Å; L869-A929 HydrophobicContact CG-CB 4.5Å; N925-A929 WeakPolarHBondContact O-CB 3.46Å; N925-A929 PolarHBondContact O-N 3.01Å; F926-A929 PolarHBondContact O-N 3.5Å; A929-G932 PolarHBondContact O-N 3.15Å; A929-I933 PolarHBondContact O-N 2.82Å; A929-I933 VanDerWaalsContact O-N 3.08Å
930G93.5Very high91.8Very high34 Ų3458.2 Ų58.235%0.35129%0.294SS..Hα-helixtrans-62.7-40.2173.900000113.1F926 T927 I933 V934F926-G930 PolarHBondContact O-N 3.41Å; T927-G930 PolarHBondContact O-N 3.27Å; G930-I933 WeakPolarHBondContact O-CG2 3.45Å; G930-V934 VanDerWaalsContact O-CG2 3.31Å; G930-V934 WeakPolarHBondContact O-CG2 3.23Å; G930-V934 PolarHBondContact O-N 3.01Å
931Y94.2Very high91.7Very high135 Ų13554.6 Ų54.653%0.52928%0.275SS..Hα-helixtrans-61.6-46171.9174.6-95.1000111.7T927 I928 V934 K935 F943T927-Y931 PolarHBondContact O-N 2.86Å; I928-Y931 WeakPolarHBondContact O-CB 3.25Å; I928-Y931 PolarHBondContact O-N 3.08Å; Y931-V934 PolarHBondContact O-N 3.06Å; Y931-K935 HydrophobicContact CD2-CG 4.13Å; Y931-K935 HydrophobicContact CE1-CB 4.43Å; Y931-K935 HydrophobicContact CE2-CB 4.23Å; Y931-K935 HydrophobicContact CE2-CG 3.66Å; Y931-K935 PolarHBondContact O-N 2.75Å; Y931-F943 HydrophobicContact CD1-CE2 4.27Å
932G91.7Very high91.6Very high0 Ų055.8 Ų55.80%028%0.281CS..Hα-helixtrans-57.2-51.3179.700000113.1I928 A929 V934 R936I928-G932 PolarHBondContact O-N 3.05Å; A929-G932 PolarHBondContact O-N 3.15Å; G932-V934 VanDerWaalsContact C-N 3.33Å; G932-V934 PolarHBondContact O-N 2.79Å; G932-R936 VanDerWaalsContact O-CA 3.3Å; G932-R936 WeakPolarHBondContact O-CA 3.45Å; G932-R936 PolarHBondContact O-N 3.16Å
933I91.2Very high91.6Very high66 Ų6655.6 Ų55.634%0.33828%0.28SS..Hα-helixtrans-68.8-28.2-178.2-163.6168000113.6I862 A929 G930 R936I862-I933 HydrophobicContact CG1-CD1 4.09Å; A929-I933 PolarHBondContact O-N 2.82Å; A929-I933 VanDerWaalsContact O-N 3.08Å; G930-I933 WeakPolarHBondContact O-CG2 3.45Å; I933-R936 WeakPolarHBondContact O-CG 3.5Å
934V92.1Very high91.6Very high111 Ų11151 Ų5167%0.67326%0.256SS*.Hα-helixtrans-80.1-48.5177.6172.20000111.9G930 Y931 G932G930-V934 VanDerWaalsContact O-CG2 3.31Å; G930-V934 WeakPolarHBondContact O-CG2 3.23Å; G930-V934 PolarHBondContact O-N 3.01Å; Y931-V934 PolarHBondContact O-N 3.06Å; G932-V934 VanDerWaalsContact C-N 3.33Å; G932-V934 PolarHBondContact O-N 2.79Å
935K90.7Very high91.5Very high143 Ų14349.5 Ų49.562%0.62225%0.246SC*.Hα-helixtrans-87.5-28.2-174.9-76.8-65.2-170.1178.10114.2Y931Y931-K935 HydrophobicContact CD2-CG 4.13Å; Y931-K935 HydrophobicContact CE1-CB 4.43Å; Y931-K935 HydrophobicContact CE2-CB 4.23Å; Y931-K935 HydrophobicContact CE2-CG 3.66Å; Y931-K935 PolarHBondContact O-N 2.75Å
936R89.8Confident91.4Very high112 Ų11251 Ų5142%0.42326%0.257SS..  trans44.858.4-179.9-60.4179.1-69.1-174.4-3.5112.8W861 G932 I933W861-R936 HydrophobicContact CB-CG 4.4Å; W861-R936 HydrophobicContact CD2-CB 4.37Å; W861-R936 HydrophobicContact CD2-CG 4.09Å; W861-R936 HydrophobicContact CG-CB 4.36Å; W861-R936 HydrophobicContact CG-CG 3.83Å; G932-R936 VanDerWaalsContact O-CA 3.3Å; G932-R936 WeakPolarHBondContact O-CA 3.45Å; G932-R936 PolarHBondContact O-N 3.16Å; I933-R936 WeakPolarHBondContact O-CG 3.5Å
937P87.3Confident91.4Very high33 Ų3347.2 Ų47.221%0.21424%0.241CC..  trans-56.8138.7-178.925.4-35.7000111.6W861 D939 F943W861-P937 HydrophobicContact CH2-CG 3.84Å; W861-P937 HydrophobicContact CZ2-CG 4Å; W861-P937 WeakPolarHBondContact CZ2-O 3.19Å; P937-D939 VanDerWaalsContact C-N 3.34Å; P937-F943 HydrophobicContact CG-CB 4.06Å; P937-F943 HydrophobicContact CG-CD2 4.34Å; P937-F943 HydrophobicContact CG-CG 4.29Å
938R82.7Confident91.3Very high105 Ų10544.5 Ų44.540%0.39622%0.221SC..SBendtrans-65.9-39.7177.8-164.7-167.9-167.8116.313.4111.5E246 F940 E1000E246-R938 IonicContact OE1-CZ 3.57Å; E246-R938 IonicContact OE1-NH1 2.73Å; E246-R938 PolarHBondContact OE1-NH1 3.1Å; E246-R938 IonicContact OE1-NH2 3.44Å; E246-R938 PolarHBondContact OE1-NH2 3.5Å; E246-R938 IonicContact OE2-CZ 3.66Å; E246-R938 IonicContact OE2-NH1 2.86Å; E246-R938 PolarHBondContact OE2-NH1 2.96Å; E246-R938 IonicContact OE2-NH2 3.91Å; R938-F940 PolarHBondContact O-N 3.38Å; R938-E1000 WeakPolarHBondContact CD-O 3.49Å
939D85.6Confident91.2Very high10 Ų1047.1 Ų47.15%0.05323%0.234CC..  trans-74.374.5168.1-170.7-2.5000111.3P937 S941 T942 F943 R995 W999 E1000P937-D939 VanDerWaalsContact C-N 3.34Å; D939-S941 PolarHBondContact O-N 3.08Å; D939-S941 PolarHBondContact OD1-N 2.68Å; D939-S941 VanDerWaalsContact OD1-N 3.17Å; D939-T942 VanDerWaalsContact CG-CB 3.48Å; D939-T942 VanDerWaalsContact CG-OG1 3.31Å; D939-T942 PolarHBondContact OD1-N 2.89Å; D939-T942 PolarHBondContact OD1-OG1 3.35Å; D939-T942 WeakPolarHBondContact OD2-CB 3.27Å; D939-T942 PolarHBondContact OD2-OG1 3.5Å; D939-F943 PolarHBondContact O-N 3.31Å; D939-R995 IonicContact OD2-NH2 3.9Å; D939-W999 HydrophobicContact CB-CH2 4.12Å; D939-W999 HydrophobicContact CB-CZ2 4.13Å; D939-W999 WeakPolarHBondContact OD1-CZ2 3.4Å; D939-E1000 HydrophobicContact CB-CG 3.83Å
940F90.1Very high91.3Very high0 Ų050 Ų500%025%0.248CC..Hα-helixtrans-60.4-24.9172.1-178.5-101.7000112.3L848 V853 F860 W861 F864 R938 F943 L944L848-F940 WeakPolarHBondContact O-CE1 3.45Å; V853-F940 HydrophobicContact CG2-CB 4.11Å; F860-F940 AromaticContact CE1-CD2 3.98Å; F860-F940 HydrophobicContact CE1-CD2 3.98Å; F860-F940 HydrophobicContact CE1-CE1 4.27Å; F860-F940 AromaticContact CE1-CE2 3.67Å; F860-F940 HydrophobicContact CE1-CE2 3.67Å; F860-F940 HydrophobicContact CE1-CG 4.41Å; F860-F940 AromaticContact CE1-CZ 3.83Å; F860-F940 HydrophobicContact CE1-CZ 3.83Å; F860-F940 AromaticContact CZ-CE1 4Å; F860-F940 HydrophobicContact CZ-CE1 4Å; F860-F940 HydrophobicContact CZ-CE2 4.13Å; F860-F940 AromaticContact CZ-CZ 3.78Å; F860-F940 HydrophobicContact CZ-CZ 3.78Å; W861-F940 AromaticContact CH2-CD2 3.6Å; W861-F940 HydrophobicContact CH2-CD2 3.6Å; W861-F940 HydrophobicContact CH2-CE2 4.03Å; W861-F940 AromaticContact CZ2-CD2 3.68Å; W861-F940 HydrophobicContact CZ2-CD2 3.68Å; W861-F940 HydrophobicContact CZ2-CE2 4.4Å; W861-F940 HydrophobicContact CZ3-CD2 4.23Å; W861-F940 HydrophobicContact CZ3-CE2 4.2Å; F864-F940 AromaticContact CD1-CE2 3.93Å; F864-F940 HydrophobicContact CD1-CE2 3.93Å; F864-F940 HydrophobicContact CD1-CZ 4.15Å; F864-F940 HydrophobicContact CD2-CE2 4.29Å; F864-F940 AromaticContact CD2-CZ 3.69Å; F864-F940 HydrophobicContact CD2-CZ 3.69Å; F864-F940 HydrophobicContact CE1-CE2 4.04Å; F864-F940 HydrophobicContact CE1-CZ 4.14Å; F864-F940 HydrophobicContact CE2-CE2 4.36Å; F864-F940 AromaticContact CE2-CZ 3.65Å; F864-F940 HydrophobicContact CE2-CZ 3.65Å; F864-F940 HydrophobicContact CG-CE2 4.07Å; F864-F940 AromaticContact CG-CZ 3.94Å; F864-F940 HydrophobicContact CG-CZ 3.94Å; F864-F940 HydrophobicContact CZ-CE2 4.24Å; F864-F940 AromaticContact CZ-CZ 3.88Å; F864-F940 HydrophobicContact CZ-CZ 3.88Å; R938-F940 PolarHBondContact O-N 3.38Å; F940-F943 HydrophobicContact CD2-CD1 4.19Å; F940-F943 HydrophobicContact CE2-CD1 4.12Å; F940-F943 HydrophobicContact CE2-CE1 4.45Å; F940-F943 PolarHBondContact O-N 3.32Å; F940-L944 HydrophobicContact CE1-CD2 4.24Å; F940-L944 WeakPolarHBondContact O-CB 3.34Å; F940-L944 PolarHBondContact O-N 3.24Å
941S89.5Confident91.3Very high2 Ų249.8 Ų49.81%0.01424%0.239CC..Hα-helixtrans-77.1-45.7-176.2-68.20000112.4F805 Y813 V853 D939 F943 L944 L945F805-S941 WeakPolarHBondContact CE2-OG 3.48Å; Y813-S941 VanDerWaalsContact OH-CA 3.25Å; Y813-S941 WeakPolarHBondContact OH-CA 3.44Å; Y813-S941 WeakPolarHBondContact OH-CB 3.47Å; Y813-S941 PolarHBondContact OH-O 3Å; Y813-S941 VanDerWaalsContact OH-O 3.08Å; V853-S941 WeakPolarHBondContact CG2-OG 3.5Å; D939-S941 PolarHBondContact O-N 3.08Å; D939-S941 PolarHBondContact OD1-N 2.68Å; D939-S941 VanDerWaalsContact OD1-N 3.17Å; S941-F943 VanDerWaalsContact C-N 3.25Å; S941-F943 PolarHBondContact O-N 3.44Å; S941-L944 PolarHBondContact O-N 3.23Å; S941-L945 WeakPolarHBondContact O-CB 3.49Å; S941-L945 PolarHBondContact O-N 3.04Å
942T90.2Very high91.3Very high41 Ų4144.4 Ų44.425%0.25222%0.219SC..Hα-helixtrans-63.1-34.5169.9-65.40000111.3D939 L945 S946 Y992D939-T942 VanDerWaalsContact CG-CB 3.48Å; D939-T942 VanDerWaalsContact CG-OG1 3.31Å; D939-T942 PolarHBondContact OD1-N 2.89Å; D939-T942 PolarHBondContact OD1-OG1 3.35Å; D939-T942 WeakPolarHBondContact OD2-CB 3.27Å; D939-T942 PolarHBondContact OD2-OG1 3.5Å; T942-L945 PolarHBondContact O-N 3.14Å; T942-S946 WeakPolarHBondContact O-CB 3.47Å; T942-S946 PolarHBondContact O-N 2.75Å; T942-Y992 WeakPolarHBondContact CG2-OH 3.34Å
943F93.1Very high91.4Very high12 Ų1250.3 Ų50.35%0.05325%0.25CS..Hα-helixtrans-61.6-48.6171.9173-98.5000111.9W861 F864 I928 Y931 P937 D939 F940 S941 L945 S946 I947W861-F943 AromaticContact CH2-CD1 3.78Å; W861-F943 HydrophobicContact CH2-CD1 3.78Å; W861-F943 AromaticContact CH2-CE1 3.98Å; W861-F943 HydrophobicContact CH2-CE1 3.98Å; W861-F943 HydrophobicContact CH2-CG 4.14Å; W861-F943 HydrophobicContact CZ3-CD1 4.02Å; W861-F943 AromaticContact CZ3-CE1 3.71Å; W861-F943 HydrophobicContact CZ3-CE1 3.71Å; W861-F943 HydrophobicContact CZ3-CZ 4.09Å; F864-F943 AromaticContact CE1-CE1 3.9Å; F864-F943 HydrophobicContact CE1-CE1 3.9Å; I928-F943 HydrophobicContact CG2-CE2 3.65Å; I928-F943 HydrophobicContact CG2-CZ 3.9Å; Y931-F943 HydrophobicContact CD1-CE2 4.27Å; P937-F943 HydrophobicContact CG-CB 4.06Å; P937-F943 HydrophobicContact CG-CD2 4.34Å; P937-F943 HydrophobicContact CG-CG 4.29Å; D939-F943 PolarHBondContact O-N 3.31Å; F940-F943 HydrophobicContact CD2-CD1 4.19Å; F940-F943 HydrophobicContact CE2-CD1 4.12Å; F940-F943 HydrophobicContact CE2-CE1 4.45Å; F940-F943 PolarHBondContact O-N 3.32Å; S941-F943 VanDerWaalsContact C-N 3.25Å; S941-F943 PolarHBondContact O-N 3.44Å; F943-L945 VanDerWaalsContact C-N 3.34Å; F943-L945 PolarHBondContact O-N 3.13Å; F943-S946 WeakPolarHBondContact O-CB 3.46Å; F943-S946 PolarHBondContact O-N 3.21Å; F943-S946 PolarHBondContact O-OG 3.07Å; F943-I947 HydrophobicContact CD1-CD1 4.44Å; F943-I947 HydrophobicContact CE1-CD1 3.87Å; F943-I947 HydrophobicContact CZ-CD1 4.15Å; F943-I947 PolarHBondContact O-N 2.95Å
944L93.3Very high91.4Very high10 Ų1048.8 Ų48.85%0.05224%0.242CC..Hα-helixtrans-62.8-39.3176.5-176.858.3000112.1Y813 V845 F864 F940 S941 S946 I947 F948Y813-L944 HydrophobicContact CE1-CB 4.22Å; Y813-L944 HydrophobicContact CE1-CD2 4.28Å; Y813-L944 HydrophobicContact CE1-CG 4.01Å; Y813-L944 HydrophobicContact CE2-CD2 4.15Å; V845-L944 HydrophobicContact CG1-CD1 4.28Å; V845-L944 HydrophobicContact CG1-CD2 3.88Å; V845-L944 HydrophobicContact CG1-CG 4.37Å; F864-L944 HydrophobicContact CZ-CD1 4.42Å; F940-L944 HydrophobicContact CE1-CD2 4.24Å; F940-L944 WeakPolarHBondContact O-CB 3.34Å; F940-L944 PolarHBondContact O-N 3.24Å; S941-L944 PolarHBondContact O-N 3.23Å; L944-S946 VanDerWaalsContact C-N 3.32Å; L944-S946 PolarHBondContact O-N 3.4Å; L944-I947 HydrophobicContact CD1-CD1 4.46Å; L944-I947 WeakPolarHBondContact O-CB 3.48Å; L944-I947 PolarHBondContact O-N 3.38Å; L944-F948 HydrophobicContact CD1-CE2 4.26Å; L944-F948 HydrophobicContact CG-CE2 4.38Å; L944-F948 WeakPolarHBondContact O-CD2 3.29Å; L944-F948 PolarHBondContact O-N 3.26Å
945L92.8Very high91.4Very high12 Ų1245.2 Ų45.26%0.06322%0.217CC..Hα-helixtrans-61-41.3174.2-179.363.7000111.5M812 Y813 S941 T942 F943 I947 F948 M949M812-L945 HydrophobicContact CB-CD1 3.72Å; M812-L945 HydrophobicContact CE-CD1 4.46Å; M812-L945 HydrophobicContact CE-CD2 3.57Å; M812-L945 HydrophobicContact SD-CD1 4.44Å; M812-L945 HydrophobicContact SD-CD2 3.72Å; Y813-L945 HydrophobicContact CD1-CB 4.49Å; Y813-L945 HydrophobicContact CD1-CD1 4.18Å; Y813-L945 HydrophobicContact CE1-CB 3.9Å; Y813-L945 HydrophobicContact CE1-CD1 4.36Å; S941-L945 WeakPolarHBondContact O-CB 3.49Å; S941-L945 PolarHBondContact O-N 3.04Å; T942-L945 PolarHBondContact O-N 3.14Å; F943-L945 VanDerWaalsContact C-N 3.34Å; F943-L945 PolarHBondContact O-N 3.13Å; L945-I947 PolarHBondContact O-N 2.9Å; L945-F948 PolarHBondContact O-N 3.49Å; L945-F948 VanDerWaalsContact O-N 3.13Å; L945-M949 HydrophobicContact CD1-CG 4.09Å; L945-M949 HydrophobicContact CG-CG 4.17Å; L945-M949 WeakPolarHBondContact O-CG 3.41Å; L945-M949 PolarHBondContact O-N 3.29Å
946S92.9Very high91.5Very high38 Ų3840.9 Ų40.927%0.26620%0.202SC..Hα-helixtrans-60.4-35.3178.680.40000112.2T942 F943 L944 M949 I950T942-S946 WeakPolarHBondContact O-CB 3.47Å; T942-S946 PolarHBondContact O-N 2.75Å; F943-S946 WeakPolarHBondContact O-CB 3.46Å; F943-S946 PolarHBondContact O-N 3.21Å; F943-S946 PolarHBondContact O-OG 3.07Å; L944-S946 VanDerWaalsContact C-N 3.32Å; L944-S946 PolarHBondContact O-N 3.4Å; S946-M949 PolarHBondContact O-N 3.05Å; S946-I950 VanDerWaalsContact O-CB 3.31Å; S946-I950 WeakPolarHBondContact O-CB 3.44Å; S946-I950 WeakPolarHBondContact O-CD1 3.31Å; S946-I950 WeakPolarHBondContact O-CG1 3.48Å; S946-I950 PolarHBondContact O-N 3.36Å
947I94.2Very high91.6Very high10 Ų1042.2 Ų42.25%0.05121%0.211CC..Hα-helixtrans-61.6-49.8174-64.1169.2000110.2F864 F868 I928 F943 L944 L945 N951F864-I947 HydrophobicContact CZ-CD1 4.4Å; F868-I947 HydrophobicContact CD2-CD1 4.48Å; F868-I947 HydrophobicContact CE1-CD1 4.24Å; F868-I947 HydrophobicContact CE2-CD1 4.07Å; F868-I947 HydrophobicContact CE2-CG2 3.58Å; F868-I947 HydrophobicContact CZ-CD1 3.93Å; F868-I947 HydrophobicContact CZ-CG1 4.25Å; F868-I947 HydrophobicContact CZ-CG2 3.64Å; I928-I947 HydrophobicContact CG2-CD1 4.45Å; I928-I947 HydrophobicContact CG2-CG1 3.85Å; F943-I947 HydrophobicContact CD1-CD1 4.44Å; F943-I947 HydrophobicContact CE1-CD1 3.87Å; F943-I947 HydrophobicContact CZ-CD1 4.15Å; F943-I947 PolarHBondContact O-N 2.95Å; L944-I947 HydrophobicContact CD1-CD1 4.46Å; L944-I947 WeakPolarHBondContact O-CB 3.48Å; L944-I947 PolarHBondContact O-N 3.38Å; L945-I947 PolarHBondContact O-N 2.9Å; I947-N951 WeakPolarHBondContact O-CB 3.39Å; I947-N951 PolarHBondContact O-N 3.42Å; I947-N951 VanDerWaalsContact O-N 3.12Å; I947-N951 PolarHBondContact O-ND2 2.74Å
948F93.8Very high91.7Very high36 Ų3641.5 Ų41.516%0.15821%0.205CC..Hα-helixtrans-60.6-47.4177.7-81-81.6000112Y813 M842 V845 L944 L945 L952Y813-F948 AromaticContact CD1-CD2 3.99Å; Y813-F948 HydrophobicContact CD1-CD2 3.99Å; Y813-F948 HydrophobicContact CD1-CE2 4.27Å; M842-F948 HydrophobicContact CE-CE1 4.28Å; M842-F948 HydrophobicContact CE-CZ 3.85Å; M842-F948 HydrophobicContact SD-CE1 4.24Å; M842-F948 HydrophobicContact SD-CZ 4.1Å; V845-F948 HydrophobicContact CG1-CE2 3.75Å; V845-F948 HydrophobicContact CG1-CZ 3.91Å; L944-F948 HydrophobicContact CD1-CE2 4.26Å; L944-F948 HydrophobicContact CG-CE2 4.38Å; L944-F948 WeakPolarHBondContact O-CD2 3.29Å; L944-F948 PolarHBondContact O-N 3.26Å; L945-F948 PolarHBondContact O-N 3.49Å; L945-F948 VanDerWaalsContact O-N 3.13Å; F948-L952 WeakPolarHBondContact O-CB 3.42Å; F948-L952 PolarHBondContact O-N 2.76Å
949M93.6Very high92.2Very high76 Ų7637.1 Ų37.137%0.37419%0.188SC..Hα-helixtrans-67.3-41.2-176.1-67.9-61.2-75.600112.6L945 S946 L952 L953 W985L945-M949 HydrophobicContact CD1-CG 4.09Å; L945-M949 HydrophobicContact CG-CG 4.17Å; L945-M949 WeakPolarHBondContact O-CG 3.41Å; L945-M949 PolarHBondContact O-N 3.29Å; S946-M949 PolarHBondContact O-N 3.05Å; M949-L952 PolarHBondContact O-N 3.48Å; M949-L953 WeakPolarHBondContact O-CB 3.14Å; M949-L953 PolarHBondContact O-N 3.33Å; M949-W985 HydrophobicContact CE-CH2 4.25Å
950I94.7Very high92.5Very high63 Ų6338.1 Ų38.132%0.32320%0.198SC..Hα-helixtrans-66.7-47.4177.7-68.3166.7000110.5V924 I928 S946 L952 L953 M954V924-I950 HydrophobicContact CG1-CG2 3.67Å; I928-I950 HydrophobicContact CD1-CB 4.39Å; I928-I950 HydrophobicContact CD1-CD1 3.68Å; I928-I950 HydrophobicContact CD1-CG2 4.16Å; I928-I950 HydrophobicContact CG1-CD1 4.45Å; S946-I950 VanDerWaalsContact O-CB 3.31Å; S946-I950 WeakPolarHBondContact O-CB 3.44Å; S946-I950 WeakPolarHBondContact O-CD1 3.31Å; S946-I950 WeakPolarHBondContact O-CG1 3.48Å; S946-I950 PolarHBondContact O-N 3.36Å; I950-L952 VanDerWaalsContact C-N 3.34Å; I950-L952 PolarHBondContact O-N 2.98Å; I950-L953 PolarHBondContact O-N 2.81Å; I950-M954 HydrophobicContact CG2-CG 4.39Å; I950-M954 HydrophobicContact CG2-SD 4.01Å; I950-M954 WeakPolarHBondContact O-CB 3.28Å; I950-M954 VanDerWaalsContact O-CG 3.28Å; I950-M954 WeakPolarHBondContact O-CG 3.37Å; I950-M954 PolarHBondContact O-N 3.26Å
951N93.7Very high92.5Very high30 Ų3041 Ų4116%0.1621%0.213CC..Hα-helixtrans-63.5-39.2177.5-76.5-80.8000112M820 N925 I947 Y955M820-N951 HydrophobicContact CE-CB 3.69Å; N925-N951 PolarHBondContact ND2-OD1 2.92Å; N925-N951 PolarHBondContact OD1-ND2 2.77Å; N925-N951 PolarHBondContact OD1-OD1 2.76Å; I947-N951 WeakPolarHBondContact O-CB 3.39Å; I947-N951 PolarHBondContact O-N 3.42Å; I947-N951 VanDerWaalsContact O-N 3.12Å; I947-N951 PolarHBondContact O-ND2 2.74Å; N951-Y955 VanDerWaalsContact O-CB 3.32Å; N951-Y955 WeakPolarHBondContact O-CB 3.47Å; N951-Y955 PolarHBondContact O-N 3.05Å
952L94Very high92.4Very high23 Ų2341.1 Ų41.112%0.1221%0.213CC..Hα-helixtrans-62.6-45.4175.3172.858.7000111.9V819 M820 I823 F948 M949 I950 Y955 T956V819-L952 HydrophobicContact CB-CD1 4.04Å; V819-L952 HydrophobicContact CB-CD2 4.17Å; V819-L952 HydrophobicContact CG1-CD1 3.52Å; V819-L952 HydrophobicContact CG1-CD2 4.06Å; V819-L952 HydrophobicContact CG1-CG 4.41Å; M820-L952 HydrophobicContact CB-CD1 4.44Å; M820-L952 HydrophobicContact CE-CB 4.28Å; I823-L952 HydrophobicContact CD1-CD1 3.98Å; F948-L952 WeakPolarHBondContact O-CB 3.42Å; F948-L952 PolarHBondContact O-N 2.76Å; M949-L952 PolarHBondContact O-N 3.48Å; I950-L952 VanDerWaalsContact C-N 3.34Å; I950-L952 PolarHBondContact O-N 2.98Å; L952-Y955 PolarHBondContact O-N 3.36Å; L952-T956 WeakPolarHBondContact O-CB 3.37Å; L952-T956 PolarHBondContact O-N 3Å; L952-T956 PolarHBondContact O-OG1 2.79Å
953L93.6Very high92.5Very high124 Ų12439.2 Ų39.265%0.64920%0.201SC*.Hα-helixtrans-65.9-44.1178.9-175.6143.5000111.5M949 I950 Y955 T956 F957M949-L953 WeakPolarHBondContact O-CB 3.14Å; M949-L953 PolarHBondContact O-N 3.33Å; I950-L953 PolarHBondContact O-N 2.81Å; L953-Y955 VanDerWaalsContact C-N 3.35Å; L953-Y955 PolarHBondContact O-N 3.35Å; L953-T956 PolarHBondContact O-N 2.84Å; L953-F957 WeakPolarHBondContact O-CB 3.39Å; L953-F957 PolarHBondContact O-N 3.11Å
954M91.9Very high92.3Very high33 Ų3343.8 Ų43.816%0.16323%0.226CC..Hα-helixtrans-58.4-45.6174.2-73.5-178.666.900111.9I920 A921 V924 I950 F957 F958I920-M954 HydrophobicContact CG2-CE 3.81Å; A921-M954 HydrophobicContact CB-CE 4.14Å; V924-M954 HydrophobicContact CB-CE 4.3Å; V924-M954 HydrophobicContact CB-SD 3.91Å; V924-M954 HydrophobicContact CG1-SD 3.84Å; V924-M954 HydrophobicContact CG2-CE 3.98Å; V924-M954 HydrophobicContact CG2-SD 3.93Å; I950-M954 HydrophobicContact CG2-CG 4.39Å; I950-M954 HydrophobicContact CG2-SD 4.01Å; I950-M954 WeakPolarHBondContact O-CB 3.28Å; I950-M954 VanDerWaalsContact O-CG 3.28Å; I950-M954 WeakPolarHBondContact O-CG 3.37Å; I950-M954 PolarHBondContact O-N 3.26Å; M954-F957 PolarHBondContact O-N 3.38Å; M954-F958 WeakPolarHBondContact O-CB 3.39Å; M954-F958 PolarHBondContact O-N 3.38Å
955Y91.6Very high92.1Very high37 Ų3749.4 Ų49.415%0.14525%0.247CC..Hα-helixtrans-69-37.5-179.4-173.2-134.8000112.4M820 I823 Y824 N951 L952 L953 F958 Y959M820-Y955 HydrophobicContact CG-CD1 4.07Å; I823-Y955 HydrophobicContact CB-CD1 4.06Å; I823-Y955 HydrophobicContact CB-CE1 3.63Å; I823-Y955 HydrophobicContact CG2-CD1 3.84Å; I823-Y955 HydrophobicContact CG2-CE1 3.38Å; Y824-Y955 VanDerWaalsContact CA-OH 3.26Å; Y824-Y955 WeakPolarHBondContact CA-OH 3.34Å; N951-Y955 VanDerWaalsContact O-CB 3.32Å; N951-Y955 WeakPolarHBondContact O-CB 3.47Å; N951-Y955 PolarHBondContact O-N 3.05Å; L952-Y955 PolarHBondContact O-N 3.36Å; L953-Y955 VanDerWaalsContact C-N 3.35Å; L953-Y955 PolarHBondContact O-N 3.35Å; Y955-F958 HydrophobicContact CD2-CD1 4.27Å; Y955-F958 HydrophobicContact CE2-CD1 4.22Å; Y955-F958 PolarHBondContact O-N 3Å; Y955-Y959 PolarHBondContact O-N 3.01Å
956T92.8Very high91.8Very high52 Ų5251.3 Ų51.332%0.31926%0.255SS..Hα-helixtrans-63.6-42.6174-55.40000111.5I823 L952 L953 Y959 A960I823-T956 WeakPolarHBondContact CD1-OG1 3.14Å; L952-T956 WeakPolarHBondContact O-CB 3.37Å; L952-T956 PolarHBondContact O-N 3Å; L952-T956 PolarHBondContact O-OG1 2.79Å; L953-T956 PolarHBondContact O-N 2.84Å; T956-Y959 WeakPolarHBondContact O-CB 3.32Å; T956-Y959 PolarHBondContact O-N 3.08Å; T956-A960 PolarHBondContact O-N 3.38Å; T956-A960 VanDerWaalsContact O-N 3.13Å
957F91.9Very high91.5Very high139 Ų13960 Ų6061%0.6128%0.282SS*.Hα-helixtrans-66.2-41.5176.6-174.6-117000112.2L953 M954 Y959 A960 I961L953-F957 WeakPolarHBondContact O-CB 3.39Å; L953-F957 PolarHBondContact O-N 3.11Å; M954-F957 PolarHBondContact O-N 3.38Å; F957-Y959 PolarHBondContact O-N 2.94Å; F957-A960 PolarHBondContact O-N 2.96Å; F957-I961 HydrophobicContact CD1-CD1 3.74Å; F957-I961 HydrophobicContact CE1-CD1 3.36Å; F957-I961 HydrophobicContact CE1-CG1 4.38Å; F957-I961 HydrophobicContact CE2-CD1 4.32Å; F957-I961 HydrophobicContact CG-CD1 4.39Å; F957-I961 HydrophobicContact CZ-CD1 3.69Å; F957-I961 HydrophobicContact CZ-CG1 4.35Å; F957-I961 WeakPolarHBondContact O-CG1 3.48Å; F957-I961 PolarHBondContact O-N 3.02Å
958F90.6Very high91.3Very high18 Ų1859.8 Ų59.88%0.07928%0.281CS..Hα-helixtrans-58.7-46.6172174-101.2000112L917 M954 Y955 A960 I961 M962 F1058L917-F958 HydrophobicContact CB-CD2 3.89Å; L917-F958 HydrophobicContact CB-CE2 3.76Å; L917-F958 HydrophobicContact CB-CZ 4.31Å; L917-F958 HydrophobicContact CD1-CB 3.72Å; L917-F958 HydrophobicContact CD1-CD2 3.7Å; L917-F958 HydrophobicContact CD1-CE2 4.42Å; L917-F958 HydrophobicContact CD1-CG 3.74Å; L917-F958 HydrophobicContact CD2-CB 4.25Å; L917-F958 HydrophobicContact CD2-CD1 3.54Å; L917-F958 HydrophobicContact CD2-CD2 3.77Å; L917-F958 HydrophobicContact CD2-CE1 3.66Å; L917-F958 HydrophobicContact CD2-CE2 3.88Å; L917-F958 HydrophobicContact CD2-CG 3.57Å; L917-F958 HydrophobicContact CD2-CZ 3.81Å; L917-F958 HydrophobicContact CG-CD2 3.97Å; L917-F958 HydrophobicContact CG-CE2 4.22Å; L917-F958 HydrophobicContact CG-CG 4.12Å; M954-F958 WeakPolarHBondContact O-CB 3.39Å; M954-F958 PolarHBondContact O-N 3.38Å; Y955-F958 HydrophobicContact CD2-CD1 4.27Å; Y955-F958 HydrophobicContact CE2-CD1 4.22Å; Y955-F958 PolarHBondContact O-N 3Å; F958-A960 VanDerWaalsContact C-N 3.27Å; F958-A960 PolarHBondContact O-N 2.56Å; F958-I961 PolarHBondContact O-N 2.9Å; F958-I961 VanDerWaalsContact O-N 3.16Å; F958-M962 HydrophobicContact CD1-CG 4.01Å; F958-M962 HydrophobicContact CD2-CG 3.84Å; F958-M962 HydrophobicContact CD2-SD 4.41Å; F958-M962 HydrophobicContact CE1-CG 3.63Å; F958-M962 HydrophobicContact CE2-CE 4.3Å; F958-M962 HydrophobicContact CE2-CG 3.44Å; F958-M962 VanDerWaalsContact CE2-CG 3.44Å; F958-M962 HydrophobicContact CE2-SD 3.65Å; F958-M962 HydrophobicContact CG-CG 4.13Å; F958-M962 HydrophobicContact CZ-CE 3.9Å; F958-M962 HydrophobicContact CZ-CG 3.34Å; F958-M962 HydrophobicContact CZ-SD 3.8Å; F958-M962 WeakPolarHBondContact O-CB 3.28Å; F958-M962 VanDerWaalsContact O-CG 3.3Å; F958-M962 WeakPolarHBondContact O-CG 3.48Å; F958-M962 PolarHBondContact O-N 3.15Å; F958-F1058 HydrophobicContact CE1-CD2 4.26Å
959Y92.4Very high91.1Very high13 Ų1367.8 Ų67.85%0.05131%0.31CS..Hα-helixtrans-55.4-44.4177.6-163.9-91.4000111.6I823 T826 R827 Y955 T956 F957 M962 K963 V1043 D1044 F1058I823-Y959 HydrophobicContact CG2-CD2 3.57Å; I823-Y959 HydrophobicContact CG2-CE2 4.19Å; I823-Y959 HydrophobicContact CG2-CG 3.93Å; T826-Y959 WeakPolarHBondContact CG2-OH 3.41Å; R827-Y959 HydrophobicContact CG-CE2 3.84Å; R827-Y959 PolarHBondContact NE-OH 3.06Å; Y955-Y959 PolarHBondContact O-N 3.01Å; T956-Y959 WeakPolarHBondContact O-CB 3.32Å; T956-Y959 PolarHBondContact O-N 3.08Å; F957-Y959 PolarHBondContact O-N 2.94Å; Y959-M962 PolarHBondContact O-N 3.46Å; Y959-K963 WeakPolarHBondContact O-CB 3.3Å; Y959-K963 PolarHBondContact O-N 2.86Å; Y959-K963 VanDerWaalsContact O-N 3.08Å; Y959-V1043 HydrophobicContact CE1-CG1 4.17Å; Y959-V1043 HydrophobicContact CE1-CG2 4.34Å; Y959-D1044 VanDerWaalsContact OH-CG 3.28Å; Y959-D1044 PolarHBondContact OH-OD1 3.03Å; Y959-D1044 PolarHBondContact OH-OD2 3.42Å; Y959-F1058 AromaticContact CD2-CE2 3.63Å; Y959-F1058 HydrophobicContact CD2-CE2 3.63Å; Y959-F1058 HydrophobicContact CD2-CZ 4.29Å; Y959-F1058 AromaticContact CE2-CE2 3.67Å; Y959-F1058 HydrophobicContact CE2-CE2 3.67Å; Y959-F1058 HydrophobicContact CE2-CZ 4.01Å; Y959-F1058 HydrophobicContact CG-CE2 4.25Å
960A91.6Very high90.9Very high31 Ų3165.8 Ų65.826%0.25630%0.299SS..Hα-helixtrans-64.8-44.1176.800000113T956 F957 F958 K963 L964 F970T956-A960 PolarHBondContact O-N 3.38Å; T956-A960 VanDerWaalsContact O-N 3.13Å; F957-A960 PolarHBondContact O-N 2.96Å; F958-A960 VanDerWaalsContact C-N 3.27Å; F958-A960 PolarHBondContact O-N 2.56Å; A960-K963 PolarHBondContact O-N 3.47Å; A960-L964 WeakPolarHBondContact O-CG 3.31Å; A960-L964 PolarHBondContact O-N 3.28Å; A960-L964 VanDerWaalsContact O-N 3.16Å; A960-F970 HydrophobicContact CB-CZ 4.14Å
961I90.3Very high90.6Very high62 Ų6266.4 Ų66.432%0.31830%0.301SS..Hα-helixtrans-61.3-45.9176-73.3172.5000111.3F957 F958 K963 L964 R965F957-I961 HydrophobicContact CD1-CD1 3.74Å; F957-I961 HydrophobicContact CE1-CD1 3.36Å; F957-I961 HydrophobicContact CE1-CG1 4.38Å; F957-I961 HydrophobicContact CE2-CD1 4.32Å; F957-I961 HydrophobicContact CG-CD1 4.39Å; F957-I961 HydrophobicContact CZ-CD1 3.69Å; F957-I961 HydrophobicContact CZ-CG1 4.35Å; F957-I961 WeakPolarHBondContact O-CG1 3.48Å; F957-I961 PolarHBondContact O-N 3.02Å; F958-I961 PolarHBondContact O-N 2.9Å; F958-I961 VanDerWaalsContact O-N 3.16Å; I961-K963 VanDerWaalsContact C-N 3.3Å; I961-K963 PolarHBondContact O-N 3.4Å; I961-L964 WeakPolarHBondContact O-CB 3.34Å; I961-L964 PolarHBondContact O-N 2.9Å; I961-R965 PolarHBondContact O-N 2.92Å
962M88.4Confident90.5Very high4 Ų472 Ų722%0.0233%0.328CS..Hα-helixtrans-65.6-36.9-177.3-69-59.5-81.200111.8E913 F958 Y959 R965 H966 F1058E913-M962 HydrophobicContact CB-CE 4.11Å; E913-M962 WeakPolarHBondContact OE2-CE 3.24Å; F958-M962 HydrophobicContact CD1-CG 4.01Å; F958-M962 HydrophobicContact CD2-CG 3.84Å; F958-M962 HydrophobicContact CD2-SD 4.41Å; F958-M962 HydrophobicContact CE1-CG 3.63Å; F958-M962 HydrophobicContact CE2-CE 4.3Å; F958-M962 HydrophobicContact CE2-CG 3.44Å; F958-M962 VanDerWaalsContact CE2-CG 3.44Å; F958-M962 HydrophobicContact CE2-SD 3.65Å; F958-M962 HydrophobicContact CG-CG 4.13Å; F958-M962 HydrophobicContact CZ-CE 3.9Å; F958-M962 HydrophobicContact CZ-CG 3.34Å; F958-M962 HydrophobicContact CZ-SD 3.8Å; F958-M962 WeakPolarHBondContact O-CB 3.28Å; F958-M962 VanDerWaalsContact O-CG 3.3Å; F958-M962 WeakPolarHBondContact O-CG 3.48Å; F958-M962 PolarHBondContact O-N 3.15Å; Y959-M962 PolarHBondContact O-N 3.46Å; M962-R965 PolarHBondContact O-N 3.41Å; M962-R965 PolarHBondContact SD-NH1 3.22Å; M962-H966 PolarHBondContact O-N 2.78Å; M962-H966 PolarHBondContact O-ND1 3.39Å; M962-F1058 HydrophobicContact CB-CB 4.37Å; M962-F1058 HydrophobicContact CB-CD1 3.98Å; M962-F1058 HydrophobicContact CB-CD2 3.52Å; M962-F1058 HydrophobicContact CB-CE1 4.04Å; M962-F1058 HydrophobicContact CB-CE2 3.59Å; M962-F1058 HydrophobicContact CB-CG 3.72Å; M962-F1058 HydrophobicContact CB-CZ 3.86Å; M962-F1058 HydrophobicContact CE-CB 3.32Å; M962-F1058 HydrophobicContact CE-CG 3.99Å; M962-F1058 HydrophobicContact CG-CB 4.4Å; M962-F1058 HydrophobicContact CG-CD2 3.96Å; M962-F1058 HydrophobicContact CG-CE2 4.41Å; M962-F1058 HydrophobicContact CG-CG 4.2Å
963K91.4Very high90.3Very high0 Ų074.4 Ų74.40%034%0.34CS..Hα-helixtrans-58.9-46.6171.8-163.7168.8-178.6770111.6Y959 A960 I961 R967 E968 F970 V1043 D1044 D1046Y959-K963 WeakPolarHBondContact O-CB 3.3Å; Y959-K963 PolarHBondContact O-N 2.86Å; Y959-K963 VanDerWaalsContact O-N 3.08Å; A960-K963 PolarHBondContact O-N 3.47Å; I961-K963 VanDerWaalsContact C-N 3.3Å; I961-K963 PolarHBondContact O-N 3.4Å; K963-R967 PolarHBondContact O-N 3.2Å; K963-E968 HydrophobicContact CD-CB 4.48Å; K963-E968 HydrophobicContact CG-CB 3.54Å; K963-E968 HydrophobicContact CG-CG 4.44Å; K963-E968 WeakPolarHBondContact CG-OE2 3.44Å; K963-E968 IonicContact NZ-OE2 3.88Å; K963-E968 PolarHBondContact NZ-OE2 2.98Å; K963-E968 WeakPolarHBondContact O-CB 3.28Å; K963-E968 PolarHBondContact O-N 3.23Å; K963-F970 HydrophobicContact CB-CZ 4.3Å; K963-F970 HydrophobicContact CD-CD1 4.23Å; K963-F970 HydrophobicContact CD-CE1 3.78Å; K963-F970 HydrophobicContact CD-CZ 4.04Å; K963-F970 HydrophobicContact CG-CZ 4.43Å; K963-V1043 HydrophobicContact CD-CG2 4.18Å; K963-V1043 WeakPolarHBondContact CE-O 3.36Å; K963-V1043 PolarHBondContact NZ-O 3.48Å; K963-D1044 IonicContact NZ-OD1 2.73Å; K963-D1044 PolarHBondContact NZ-OD1 2.89Å; K963-D1046 WeakPolarHBondContact CE-OD1 3.43Å; K963-D1046 IonicContact NZ-OD1 2.73Å; K963-D1046 PolarHBondContact NZ-OD1 3.48Å; K963-D1046 IonicContact NZ-OD2 3.5Å
964L89.8Confident90.3Very high109 Ų10968.5 Ų68.557%0.57131%0.309SS*.Hα-helixtrans-63.1-46175.2-68.6170.6000112.6A960 I961 H966 R967 F970A960-L964 WeakPolarHBondContact O-CG 3.31Å; A960-L964 PolarHBondContact O-N 3.28Å; A960-L964 VanDerWaalsContact O-N 3.16Å; I961-L964 WeakPolarHBondContact O-CB 3.34Å; I961-L964 PolarHBondContact O-N 2.9Å; L964-H966 VanDerWaalsContact C-N 3.33Å; L964-H966 PolarHBondContact O-N 2.83Å; L964-R967 PolarHBondContact O-N 2.92Å; L964-F970 HydrophobicContact CD1-CE2 4.45Å; L964-F970 HydrophobicContact CD2-CD2 4.12Å; L964-F970 HydrophobicContact CD2-CE2 3.72Å; L964-F970 HydrophobicContact CG-CE2 3.86Å
965R88.6Confident90.4Very high128 Ų12870.4 Ų70.448%0.48332%0.32SS..Hα-helixtrans-61-40.4-179.1-173.4-177-76.4146.8-4.3112E913 I961 M962 R967E913-R965 WeakPolarHBondContact OE1-CD 3.28Å; E913-R965 IonicContact OE1-CZ 2.81Å; E913-R965 IonicContact OE1-NE 3.67Å; E913-R965 IonicContact OE1-NH1 2.66Å; E913-R965 PolarHBondContact OE1-NH1 2.86Å; E913-R965 VanDerWaalsContact OE2-CD 3.23Å; E913-R965 WeakPolarHBondContact OE2-CD 3.1Å; E913-R965 IonicContact OE2-CZ 3.88Å; E913-R965 IonicContact OE2-NE 2.71Å; E913-R965 IonicContact OE2-NH1 3.52Å; E913-R965 PolarHBondContact OE2-NH1 3.07Å; I961-R965 PolarHBondContact O-N 2.92Å; M962-R965 PolarHBondContact O-N 3.41Å; M962-R965 PolarHBondContact SD-NH1 3.22Å; R965-R967 PolarHBondContact O-N 3.41Å
966H86.5Confident90.5Very high52 Ų5272.3 Ų72.324%0.24134%0.335CS..THydrogen-bonded Turntrans-78.68.4176.9-68.585.5000114.1M962 L964 E968 F1056M962-H966 PolarHBondContact O-N 2.78Å; M962-H966 PolarHBondContact O-ND1 3.39Å; L964-H966 VanDerWaalsContact C-N 3.33Å; L964-H966 PolarHBondContact O-N 2.83Å; H966-E968 HydrophobicContact CB-CG 4.42Å; H966-E968 PolarHBondContact O-N 2.99Å; H966-F1056 HydrophobicContact CB-CD2 4.4Å; H966-F1056 AromaticContact CD2-CD2 3.52Å; H966-F1056 AromaticContact CD2-CG 3.67Å
967R86.9Confident90.7Very high219 Ų21971.3 Ų71.383%0.82633%0.326SS*.THydrogen-bonded Turntrans56.928.7-179.5-55.2178.7176.8174.1-1.8113.4K963 L964 R965K963-R967 PolarHBondContact O-N 3.2Å; L964-R967 PolarHBondContact O-N 2.92Å; R965-R967 PolarHBondContact O-N 3.41Å
968E89.8Confident90.8Very high7 Ų767 Ų673%0.03331%0.308CS..  trans-75.9151165.1-62-174.9-172.700109.1R827 K963 H966 L1047R827-E968 IonicContact CZ-OE1 2.76Å; R827-E968 IonicContact CZ-OE2 2.68Å; R827-E968 IonicContact NH1-OE1 2.76Å; R827-E968 PolarHBondContact NH1-OE1 2.93Å; R827-E968 IonicContact NH1-OE2 2.99Å; R827-E968 IonicContact NH2-OE1 2.79Å; R827-E968 PolarHBondContact NH2-OE1 3.3Å; R827-E968 IonicContact NH2-OE2 3.53Å; R827-E968 PolarHBondContact NH2-OE2 3.03Å; K963-E968 HydrophobicContact CD-CB 4.48Å; K963-E968 HydrophobicContact CG-CB 3.54Å; K963-E968 HydrophobicContact CG-CG 4.44Å; K963-E968 WeakPolarHBondContact CG-OE2 3.44Å; K963-E968 IonicContact NZ-OE2 3.88Å; K963-E968 PolarHBondContact NZ-OE2 2.98Å; K963-E968 WeakPolarHBondContact O-CB 3.28Å; K963-E968 PolarHBondContact O-N 3.23Å; H966-E968 HydrophobicContact CB-CG 4.42Å; H966-E968 PolarHBondContact O-N 2.99Å; E968-L1047 HydrophobicContact CG-CD2 4.1Å; E968-L1047 WeakPolarHBondContact OE2-CD1 3.39Å
969R88.8Confident91.1Very high204 Ų20471.7 Ų71.777%0.7733%0.334SS*.  trans-114.8126.5-170.7-67.9-174.1-178.4-176.70.5110.3Q971 D1046R969-Q971 PolarHBondContact O-N 3.41Å; R969-D1046 PolarHBondContact N-OD2 3.48Å; R969-D1046 WeakPolarHBondContact O-CB 3.38Å
970F89Confident91.3Very high34 Ų3474.3 Ų74.315%0.14935%0.348CS..  trans-63.8129.1165.5-63.1-78.6000109.7A960 K963 L964 L975 I978 V1043A960-F970 HydrophobicContact CB-CZ 4.14Å; K963-F970 HydrophobicContact CB-CZ 4.3Å; K963-F970 HydrophobicContact CD-CD1 4.23Å; K963-F970 HydrophobicContact CD-CE1 3.78Å; K963-F970 HydrophobicContact CD-CZ 4.04Å; K963-F970 HydrophobicContact CG-CZ 4.43Å; L964-F970 HydrophobicContact CD1-CE2 4.45Å; L964-F970 HydrophobicContact CD2-CD2 4.12Å; L964-F970 HydrophobicContact CD2-CE2 3.72Å; L964-F970 HydrophobicContact CG-CE2 3.86Å; F970-L975 HydrophobicContact CB-CD1 4.47Å; F970-L975 HydrophobicContact CB-CD2 3.72Å; F970-L975 HydrophobicContact CB-CG 3.77Å; F970-L975 HydrophobicContact CD2-CD2 4.45Å; F970-L975 HydrophobicContact CG-CD2 4.23Å; F970-I978 HydrophobicContact CD1-CD1 3.89Å; F970-I978 HydrophobicContact CE1-CD1 3.94Å; F970-I978 HydrophobicContact CG-CD1 4.35Å; F970-I978 HydrophobicContact CZ-CD1 4.46Å; F970-V1043 HydrophobicContact CD1-CG2 4.18Å; F970-V1043 HydrophobicContact CE1-CG2 3.77Å
971Q89.6Confident91.5Very high76 Ų7673.5 Ų73.536%0.35534%0.34SS..  trans-70.9157.2170-61-168.5-6.400109.8R969 L973 S974 L975 D1045 D1046R969-Q971 PolarHBondContact O-N 3.41Å; Q971-L973 PolarHBondContact O-N 3.01Å; Q971-S974 WeakPolarHBondContact O-CA 3.35Å; Q971-S974 WeakPolarHBondContact O-CB 3.32Å; Q971-S974 PolarHBondContact O-N 3.37Å; Q971-L975 PolarHBondContact O-N 3.15Å; Q971-D1045 PolarHBondContact NE2-O 3.38Å; Q971-D1046 HydrophobicContact CG-CB 4.14Å; Q971-D1046 VanDerWaalsContact NE2-N 3.19Å
972M90.5Very high91.7Very high148 Ų14874.6 Ų74.673%0.72935%0.352SS*.Hα-helixtrans-57-35.9179.7-68.1-6416100112.6L975 V976M972-L975 HydrophobicContact CE-CD1 4.48Å; M972-L975 PolarHBondContact O-N 3.46Å; M972-L975 HydrophobicContact SD-CD1 4.02Å; M972-V976 WeakPolarHBondContact O-CG2 3.22Å; M972-V976 PolarHBondContact O-N 3.27Å
973L90.8Very high92.2Very high72 Ų7278.6 Ų78.638%0.37738%0.377SS..Hα-helixtrans-63.5-43.2174.3-177.460.7000112.1Q971 V976 Y977 Y1042Q971-L973 PolarHBondContact O-N 3.01Å; L973-V976 PolarHBondContact O-N 3.04Å; L973-Y977 HydrophobicContact CD1-CD2 4.13Å; L973-Y977 HydrophobicContact CD1-CE2 3.53Å; L973-Y977 HydrophobicContact CD2-CE2 4.25Å; L973-Y977 HydrophobicContact CG-CD2 4.05Å; L973-Y977 HydrophobicContact CG-CE2 3.66Å; L973-Y977 VanDerWaalsContact O-CD2 3.25Å; L973-Y977 WeakPolarHBondContact O-CD2 3.48Å; L973-Y977 PolarHBondContact O-N 3.31Å; L973-Y1042 HydrophobicContact CD2-CD1 3.59Å; L973-Y1042 HydrophobicContact CD2-CE1 3.73Å; L973-Y1042 HydrophobicContact CD2-CG 4.04Å
974S92.7Very high92.4Very high0 Ų079.2 Ų79.20%038%0.381CS..Hα-helixtrans-64.3-41.2176.5-31.80000111.2Q971 Y977 I978 Y1042Q971-S974 WeakPolarHBondContact O-CA 3.35Å; Q971-S974 WeakPolarHBondContact O-CB 3.32Å; Q971-S974 PolarHBondContact O-N 3.37Å; S974-Y977 PolarHBondContact O-N 3.02Å; S974-I978 WeakPolarHBondContact O-CG1 3.19Å; S974-I978 PolarHBondContact O-N 3.37Å; S974-Y1042 PolarHBondContact OG-O 3.04Å
975L93.7Very high92.7Very high74 Ų7477 Ų7739%0.38737%0.365SS..Hα-helixtrans-62.7-41.2175.1-70.7172.5000112.5F970 Q971 M972 I978 L979F970-L975 HydrophobicContact CB-CD1 4.47Å; F970-L975 HydrophobicContact CB-CD2 3.72Å; F970-L975 HydrophobicContact CB-CG 3.77Å; F970-L975 HydrophobicContact CD2-CD2 4.45Å; F970-L975 HydrophobicContact CG-CD2 4.23Å; Q971-L975 PolarHBondContact O-N 3.15Å; M972-L975 HydrophobicContact CE-CD1 4.48Å; M972-L975 PolarHBondContact O-N 3.46Å; M972-L975 HydrophobicContact SD-CD1 4.02Å; L975-I978 HydrophobicContact CD2-CD1 4.43Å; L975-I978 PolarHBondContact O-N 2.99Å; L975-L979 PolarHBondContact O-N 3.16Å
976V94.8Very high93Very high76 Ų7673.1 Ų73.146%0.46137%0.365SS..Hα-helixtrans-61.4-43.8173.8168.80000110.8M972 L973 L979 L980M972-V976 WeakPolarHBondContact O-CG2 3.22Å; M972-V976 PolarHBondContact O-N 3.27Å; L973-V976 PolarHBondContact O-N 3.04Å; V976-L979 PolarHBondContact O-N 3.27Å; V976-L980 HydrophobicContact CG1-CD1 3.81Å; V976-L980 HydrophobicContact CG1-CG 4.34Å; V976-L980 WeakPolarHBondContact O-CB 3.36Å; V976-L980 VanDerWaalsContact O-CG 3.31Å; V976-L980 WeakPolarHBondContact O-CG 3.42Å; V976-L980 PolarHBondContact O-N 3.04Å
977Y95.7Very high93.5Very high32 Ų3273.5 Ų73.513%0.12537%0.373CS..Hα-helixtrans-66.9-34.8175.5-72.2-54.5000113.5L973 S974 L980 T981 F1035 M1038 Y1042L973-Y977 HydrophobicContact CD1-CD2 4.13Å; L973-Y977 HydrophobicContact CD1-CE2 3.53Å; L973-Y977 HydrophobicContact CD2-CE2 4.25Å; L973-Y977 HydrophobicContact CG-CD2 4.05Å; L973-Y977 HydrophobicContact CG-CE2 3.66Å; L973-Y977 VanDerWaalsContact O-CD2 3.25Å; L973-Y977 WeakPolarHBondContact O-CD2 3.48Å; L973-Y977 PolarHBondContact O-N 3.31Å; S974-Y977 PolarHBondContact O-N 3.02Å; Y977-L980 HydrophobicContact CD1-CD1 4.42Å; Y977-T981 WeakPolarHBondContact O-CB 3.2Å; Y977-T981 PolarHBondContact O-N 3.2Å; Y977-T981 PolarHBondContact O-OG1 2.68Å; Y977-F1035 HydrophobicContact CD1-CD1 4.07Å; Y977-F1035 HydrophobicContact CE1-CD1 4.18Å; Y977-M1038 HydrophobicContact CD1-CB 3.73Å; Y977-M1038 HydrophobicContact CD1-CG 4.43Å; Y977-M1038 HydrophobicContact CD2-CB 4.08Å; Y977-M1038 HydrophobicContact CE1-CB 3.58Å; Y977-M1038 HydrophobicContact CE1-CG 3.84Å; Y977-M1038 HydrophobicContact CE2-CB 3.93Å; Y977-M1038 HydrophobicContact CG-CB 3.99Å; Y977-Y1042 HydrophobicContact CD2-CD2 4.32Å; Y977-Y1042 AromaticContact CE2-CD2 3.76Å; Y977-Y1042 HydrophobicContact CE2-CD2 3.76Å; Y977-Y1042 HydrophobicContact CE2-CE2 4.27Å; Y977-Y1042 HydrophobicContact CE2-CG 4.3Å
978I95.1Very high93.9Very high48 Ų4863.1 Ų63.125%0.24633%0.334CS..Hα-helixtrans-59.4-51.8171.7-69.2167000109.9F970 S974 L975 L980 T981 C982 L1039F970-I978 HydrophobicContact CD1-CD1 3.89Å; F970-I978 HydrophobicContact CE1-CD1 3.94Å; F970-I978 HydrophobicContact CG-CD1 4.35Å; F970-I978 HydrophobicContact CZ-CD1 4.46Å; S974-I978 WeakPolarHBondContact O-CG1 3.19Å; S974-I978 PolarHBondContact O-N 3.37Å; L975-I978 HydrophobicContact CD2-CD1 4.43Å; L975-I978 PolarHBondContact O-N 2.99Å; I978-L980 PolarHBondContact O-N 3.35Å; I978-T981 PolarHBondContact O-N 3.47Å; I978-C982 PolarHBondContact O-N 2.8Å; I978-C982 PolarHBondContact O-SG 3.25Å; I978-C982 VanDerWaalsContact O-SG 3.35Å; I978-L1039 HydrophobicContact CD1-CD1 4.24Å; I978-L1039 HydrophobicContact CG1-CD1 3.52Å; I978-L1039 HydrophobicContact CG1-CD2 3.85Å; I978-L1039 HydrophobicContact CG1-CG 4.35Å
979L96.2Very high94.1Very high117 Ų11765.6 Ų65.661%0.61335%0.349SS*.Hα-helixtrans-59.3-49.4-179.8179.263.6000111.9L975 V976 T981 C982 V983L975-L979 PolarHBondContact O-N 3.16Å; V976-L979 PolarHBondContact O-N 3.27Å; L979-T981 VanDerWaalsContact C-N 3.34Å; L979-T981 PolarHBondContact O-N 3.02Å; L979-C982 PolarHBondContact O-N 2.84Å; L979-V983 HydrophobicContact CD1-CG2 4.17Å; L979-V983 WeakPolarHBondContact O-CG2 3.14Å; L979-V983 PolarHBondContact O-N 3.43Å
980L96.3Very high94.4Very high68 Ų6863.7 Ų63.736%0.35634%0.343SS..Hα-helixtrans-59.4-44.6178.3-72.2172000111.7V976 Y977 I978 V983 S984 F1035V976-L980 HydrophobicContact CG1-CD1 3.81Å; V976-L980 HydrophobicContact CG1-CG 4.34Å; V976-L980 WeakPolarHBondContact O-CB 3.36Å; V976-L980 VanDerWaalsContact O-CG 3.31Å; V976-L980 WeakPolarHBondContact O-CG 3.42Å; V976-L980 PolarHBondContact O-N 3.04Å; Y977-L980 HydrophobicContact CD1-CD1 4.42Å; I978-L980 PolarHBondContact O-N 3.35Å; L980-V983 PolarHBondContact O-N 2.91Å; L980-S984 VanDerWaalsContact O-CB 3.31Å; L980-S984 WeakPolarHBondContact O-CB 3.46Å; L980-S984 PolarHBondContact O-N 3.36Å; L980-S984 PolarHBondContact O-OG 2.98Å; L980-S984 VanDerWaalsContact O-OG 3.06Å; L980-F1035 HydrophobicContact CB-CD1 4.45Å; L980-F1035 HydrophobicContact CB-CD2 3.82Å; L980-F1035 HydrophobicContact CB-CE2 3.99Å; L980-F1035 HydrophobicContact CB-CG 4.07Å; L980-F1035 HydrophobicContact CB-CZ 4.39Å; L980-F1035 HydrophobicContact CD1-CD1 4.33Å; L980-F1035 HydrophobicContact CD1-CE1 3.98Å; L980-F1035 HydrophobicContact CD1-CE2 4.47Å; L980-F1035 HydrophobicContact CD1-CZ 4.05Å; L980-F1035 HydrophobicContact CD2-CE2 4.42Å; L980-F1035 HydrophobicContact CD2-CZ 4.49Å
981T96.3Very high94.7Very high14 Ų1464.2 Ų64.29%0.08635%0.346CS..Hα-helixtrans-61.5-46.3177.9-60.20000111.6Y977 I978 L979 S984 W985 F1035 S1036Y977-T981 WeakPolarHBondContact O-CB 3.2Å; Y977-T981 PolarHBondContact O-N 3.2Å; Y977-T981 PolarHBondContact O-OG1 2.68Å; I978-T981 PolarHBondContact O-N 3.47Å; L979-T981 VanDerWaalsContact C-N 3.34Å; L979-T981 PolarHBondContact O-N 3.02Å; T981-S984 PolarHBondContact O-OG 3.18Å; T981-W985 WeakPolarHBondContact O-CB 3.4Å; T981-W985 VanDerWaalsContact O-CD1 3.28Å; T981-W985 PolarHBondContact O-N 3.41Å; T981-F1035 VanDerWaalsContact OG1-C 3.3Å; T981-F1035 WeakPolarHBondContact OG1-CB 3.35Å; T981-F1035 PolarHBondContact OG1-O 3.28Å; T981-S1036 WeakPolarHBondContact CG2-OG 3.31Å
982C95.7Very high94.7Very high85 Ų8564 Ų6457%0.57434%0.342SS*.Hα-helixtrans-65.4-43179.4-70.20000112.5I978 L979 G986I978-C982 PolarHBondContact O-N 2.8Å; I978-C982 PolarHBondContact O-SG 3.25Å; I978-C982 VanDerWaalsContact O-SG 3.35Å; L979-C982 PolarHBondContact O-N 2.84Å; C982-G986 PolarHBondContact O-N 2.83Å
983V97.1Very high94.7Very high87 Ų8764.3 Ų64.353%0.52734%0.34SS..Hα-helixtrans-66.5-47.1178.4172.40000110.9L979 L980 G986 C987L979-V983 HydrophobicContact CD1-CG2 4.17Å; L979-V983 WeakPolarHBondContact O-CG2 3.14Å; L979-V983 PolarHBondContact O-N 3.43Å; L980-V983 PolarHBondContact O-N 2.91Å; V983-G986 PolarHBondContact O-N 2.67Å; V983-C987 PolarHBondContact O-N 2.7Å; V983-C987 VanDerWaalsContact O-N 3.1Å; V983-C987 PolarHBondContact O-SG 3Å; V983-C987 VanDerWaalsContact O-SG 3.4Å
984S96.3Very high94.7Very high13 Ų1364.7 Ų64.79%0.09134%0.339CS..Hα-helixtrans-68-41.3-176.971.10000112L980 T981 C987 A988 S1032L980-S984 VanDerWaalsContact O-CB 3.31Å; L980-S984 WeakPolarHBondContact O-CB 3.46Å; L980-S984 PolarHBondContact O-N 3.36Å; L980-S984 PolarHBondContact O-OG 2.98Å; L980-S984 VanDerWaalsContact O-OG 3.06Å; T981-S984 PolarHBondContact O-OG 3.18Å; S984-C987 PolarHBondContact O-N 2.91Å; S984-A988 WeakPolarHBondContact O-CB 3.42Å; S984-A988 PolarHBondContact O-N 2.86Å; S984-S1032 WeakPolarHBondContact CB-OG 3.49Å; S984-S1032 PolarHBondContact O-OG 3.49Å; S984-S1032 VanDerWaalsContact OG-CA 3.28Å; S984-S1032 WeakPolarHBondContact OG-CA 3.24Å; S984-S1032 VanDerWaalsContact OG-CB 3.31Å; S984-S1032 WeakPolarHBondContact OG-CB 3.45Å; S984-S1032 PolarHBondContact OG-OG 3.1Å
985W96.3Very high94.3Very high63 Ų6370 Ų7024%0.23936%0.359CS..Hα-helixtrans-65.3-39.6174.2-85.2115.7000112.2M949 T981 C987 A988 T989 S1032 M1033 S1036M949-W985 HydrophobicContact CE-CH2 4.25Å; T981-W985 WeakPolarHBondContact O-CB 3.4Å; T981-W985 VanDerWaalsContact O-CD1 3.28Å; T981-W985 PolarHBondContact O-N 3.41Å; W985-C987 VanDerWaalsContact C-N 3.33Å; W985-C987 PolarHBondContact O-N 3.3Å; W985-A988 HydrophobicContact CE3-CB 4.33Å; W985-A988 PolarHBondContact O-N 3.3Å; W985-T989 WeakPolarHBondContact O-CB 3.44Å; W985-T989 PolarHBondContact O-N 3.14Å; W985-T989 PolarHBondContact O-OG1 3.25Å; W985-S1032 VanDerWaalsContact CE2-CB 3.48Å; W985-S1032 PolarHBondContact N-OG 3.29Å; W985-M1033 HydrophobicContact CH2-CG 4.15Å; W985-M1033 HydrophobicContact CH2-SD 4.24Å; W985-M1033 HydrophobicContact CZ2-CG 3.85Å; W985-M1033 HydrophobicContact CZ2-SD 3.73Å; W985-S1036 PolarHBondContact NE1-OG 3.24Å; W985-S1036 VanDerWaalsContact NE1-OG 3.11Å
986G95.6Very high94.1Very high46 Ų4666.7 Ų66.747%0.47434%0.342SS..Hα-helixtrans-57.4-46.5175.200000112.2C982 V983 Y990C982-G986 PolarHBondContact O-N 2.83Å; V983-G986 PolarHBondContact O-N 2.67Å; G986-Y990 PolarHBondContact O-N 3.09Å
987C95.9Very high93.9Very high61 Ų6164.7 Ų64.741%0.41233%0.33SS..Hα-helixtrans-65.2-43.8174.5-64.80000112.3V983 S984 W985 Y990 F991 L1028V983-C987 PolarHBondContact O-N 2.7Å; V983-C987 VanDerWaalsContact O-N 3.1Å; V983-C987 PolarHBondContact O-SG 3Å; V983-C987 VanDerWaalsContact O-SG 3.4Å; S984-C987 PolarHBondContact O-N 2.91Å; W985-C987 VanDerWaalsContact C-N 3.33Å; W985-C987 PolarHBondContact O-N 3.3Å; C987-Y990 PolarHBondContact O-N 3.28Å; C987-F991 WeakPolarHBondContact O-CD2 3.11Å; C987-L1028 HydrophobicContact CB-CD1 4.01Å; C987-L1028 HydrophobicContact CB-CD2 4.46Å
988A96.6Very high93.6Very high0 Ų064 Ų640%033%0.329CS..Hα-helixtrans-60.9-47.5178.300000111.6S984 W985 Y990 F991 Y992 L1028S984-A988 WeakPolarHBondContact O-CB 3.42Å; S984-A988 PolarHBondContact O-N 2.86Å; W985-A988 HydrophobicContact CE3-CB 4.33Å; W985-A988 PolarHBondContact O-N 3.3Å; A988-Y990 VanDerWaalsContact C-N 3.26Å; A988-Y990 PolarHBondContact O-N 3.13Å; A988-F991 PolarHBondContact O-N 3.35Å; A988-F991 VanDerWaalsContact O-N 3.11Å; A988-Y992 PolarHBondContact O-N 3.37Å; A988-L1028 HydrophobicContact CB-CB 3.74Å
989T93.4Very high93.2Very high59 Ų5963 Ų6336%0.36232%0.323SS..Hα-helixtrans-60.9-32.7-179.3-61.70000112.7W985 Y992 F993W985-T989 WeakPolarHBondContact O-CB 3.44Å; W985-T989 PolarHBondContact O-N 3.14Å; W985-T989 PolarHBondContact O-OG1 3.25Å; T989-Y992 PolarHBondContact O-N 3.37Å; T989-F993 HydrophobicContact CG2-CD2 3.96Å; T989-F993 HydrophobicContact CG2-CE2 3.49Å; T989-F993 VanDerWaalsContact CG2-CE2 3.49Å; T989-F993 HydrophobicContact CG2-CZ 4.47Å; T989-F993 WeakPolarHBondContact O-CD2 3.18Å; T989-F993 PolarHBondContact O-N 3.38Å
990Y95.3Very high92.6Very high164 Ų16459.5 Ų59.564%0.64330%0.303SS*.Hα-helixtrans-60-48.2173173.9-95.4000112.1G986 C987 A988G986-Y990 PolarHBondContact O-N 3.09Å; C987-Y990 PolarHBondContact O-N 3.28Å; A988-Y990 VanDerWaalsContact C-N 3.26Å; A988-Y990 PolarHBondContact O-N 3.13Å
991F94.8Very high92.2Very high46 Ų4658.6 Ų58.620%0.20230%0.3CS..Hα-helixtrans-70.7-33.8178.4-75.6-78.5000112.8C987 A988 F993 H994 A1021 V1024 W1025 L1028C987-F991 WeakPolarHBondContact O-CD2 3.11Å; A988-F991 PolarHBondContact O-N 3.35Å; A988-F991 VanDerWaalsContact O-N 3.11Å; F991-F993 VanDerWaalsContact C-N 3.27Å; F991-F993 PolarHBondContact O-N 3.05Å; F991-H994 PolarHBondContact O-N 2.94Å; F991-A1021 HydrophobicContact CD1-CB 4.11Å; F991-V1024 HydrophobicContact CD1-CB 4.13Å; F991-V1024 HydrophobicContact CD1-CG1 3.95Å; F991-V1024 HydrophobicContact CD2-CG1 3.75Å; F991-V1024 HydrophobicContact CE1-CB 4.27Å; F991-V1024 HydrophobicContact CE1-CG1 3.88Å; F991-V1024 HydrophobicContact CE2-CG1 3.68Å; F991-V1024 HydrophobicContact CG-CB 4.35Å; F991-V1024 HydrophobicContact CG-CG1 3.89Å; F991-V1024 HydrophobicContact CZ-CG1 3.75Å; F991-W1025 HydrophobicContact CB-CB 4.05Å; F991-L1028 HydrophobicContact CD2-CD1 3.58Å; F991-L1028 HydrophobicContact CE2-CD1 3.91Å
992Y90.6Very high91.8Very high70 Ų7059.1 Ų59.128%0.27530%0.303SS..Hα-helixtrans-56.1-38.2176.2-178.8-105.5000113.6T942 A988 T989 H994 W1025T942-Y992 WeakPolarHBondContact CG2-OH 3.34Å; A988-Y992 PolarHBondContact O-N 3.37Å; T989-Y992 PolarHBondContact O-N 3.37Å; Y992-H994 VanDerWaalsContact C-N 3.27Å; Y992-H994 PolarHBondContact O-N 3.33Å; Y992-W1025 HydrophobicContact CD2-CD2 4.35Å; Y992-W1025 AromaticContact CD2-CE2 3.78Å; Y992-W1025 HydrophobicContact CD2-CZ2 4.14Å; Y992-W1025 AromaticContact CD2-NE1 3.62Å; Y992-W1025 HydrophobicContact CE2-CZ2 4.47Å
993F89.8Confident91.6Very high155 Ų15555.9 Ų55.968%0.6828%0.281SS*.THydrogen-bonded Turntrans-77.7-11178.1-71.4-60000113.5T989 F991 R995T989-F993 HydrophobicContact CG2-CD2 3.96Å; T989-F993 HydrophobicContact CG2-CE2 3.49Å; T989-F993 VanDerWaalsContact CG2-CE2 3.49Å; T989-F993 HydrophobicContact CG2-CZ 4.47Å; T989-F993 WeakPolarHBondContact O-CD2 3.18Å; T989-F993 PolarHBondContact O-N 3.38Å; F991-F993 VanDerWaalsContact C-N 3.27Å; F991-F993 PolarHBondContact O-N 3.05Å; F993-R995 PolarHBondContact O-N 3.41Å
994H89.7Confident91.3Very high81 Ų8151.7 Ų51.738%0.37526%0.256SS..SBendtrans-91.668.8179.7-15789.1000111.6F991 Y992 T996 Q1011 A1021F991-H994 PolarHBondContact O-N 2.94Å; Y992-H994 VanDerWaalsContact C-N 3.27Å; Y992-H994 PolarHBondContact O-N 3.33Å; H994-T996 PolarHBondContact O-N 2.74Å; H994-Q1011 PolarHBondContact NE2-NE2 3.41Å; H994-A1021 HydrophobicContact CB-CB 4.21Å
995R85.2Confident91Very high111 Ų11158.7 Ų58.742%0.41928%0.281SS..  trans-64.4120.3-178-68-179.5169.5-160.6-9.6112.2D939 F993 E1000D939-R995 IonicContact OD2-NH2 3.9Å; F993-R995 PolarHBondContact O-N 3.41Å; R995-E1000 IonicContact CZ-OE1 3.58Å; R995-E1000 IonicContact NH1-OE1 3.59Å; R995-E1000 PolarHBondContact NH1-OE1 3.4Å; R995-E1000 IonicContact NH2-OE1 3.81Å
996T90.2Very high90.8Very high5 Ų555.8 Ų55.83%0.03127%0.27CS..SBendtrans-92.8-18.217254.30000113.4H994 L1009 D1020 A1021H994-T996 PolarHBondContact O-N 2.74Å; T996-L1009 CarbonylContact O-C 3.15Å; T996-L1009 VanDerWaalsContact O-C 3.31Å; T996-D1020 WeakPolarHBondContact CB-OD2 3.48Å; T996-D1020 WeakPolarHBondContact CG2-OD2 3.43Å; T996-D1020 PolarHBondContact OG1-OD2 3.24Å; T996-A1021 HydrophobicContact CG2-CB 4.16Å
997T90.3Very high90.6Very high34 Ų3453.8 Ų53.821%0.20925%0.248CC..  trans-145.5161.6179.958.40000111Y715 N717Y715-T997 WeakPolarHBondContact O-CG2 3.18Å; N717-T997 HydrophobicContact CB-CG2 3.89Å; N717-T997 VanDerWaalsContact N-CG2 3.35Å
998T88.8Confident90.3Very high17 Ų1752.9 Ų52.910%0.10424%0.244CC..  trans-157.2137.2165.8179.70000112.6Y715 E1000 V1001 S1006 L1009Y715-T998 WeakPolarHBondContact CD2-O 3.41Å; T998-E1000 VanDerWaalsContact C-N 3.33Å; T998-E1000 WeakPolarHBondContact OG1-CB 3.35Å; T998-E1000 WeakPolarHBondContact OG1-CG 3.25Å; T998-E1000 PolarHBondContact OG1-N 3.15Å; T998-E1000 VanDerWaalsContact OG1-N 3.15Å; T998-E1000 PolarHBondContact OG1-OE1 2.88Å; T998-V1001 HydrophobicContact CG2-CG2 3.83Å; T998-S1006 PolarHBondContact N-OG 3.34Å; T998-S1006 VanDerWaalsContact O-CB 3.28Å; T998-S1006 WeakPolarHBondContact O-CB 3.43Å; T998-S1006 PolarHBondContact O-OG 3.49Å; T998-L1009 HydrophobicContact CG2-CD1 3.79Å
999W86.8Confident90.1Very high27 Ų2756.4 Ų56.410%0.10226%0.263CS..THydrogen-bonded Turntrans-85-3.8174.358.1-94.3000113.3F802 F805 V853 D939 V1001F802-W999 AromaticContact CD2-CE3 3.84Å; F802-W999 HydrophobicContact CD2-CE3 3.84Å; F802-W999 AromaticContact CD2-CZ3 3.88Å; F802-W999 HydrophobicContact CD2-CZ3 3.88Å; F802-W999 HydrophobicContact CE2-CZ3 4.27Å; F805-W999 HydrophobicContact CB-CZ2 4.31Å; V853-W999 HydrophobicContact CG1-CH2 4.01Å; V853-W999 HydrophobicContact CG1-CZ3 3.84Å; V853-W999 HydrophobicContact CG2-CH2 4.18Å; D939-W999 HydrophobicContact CB-CH2 4.12Å; D939-W999 HydrophobicContact CB-CZ2 4.13Å; D939-W999 WeakPolarHBondContact OD1-CZ2 3.4Å; W999-V1001 PolarHBondContact O-N 2.88Å
1000E84Confident90Very high43 Ų4353.9 Ų53.920%0.20125%0.247CC..THydrogen-bonded Turntrans-68.7-17.6178.9-66.8178.4-108.500113.6R938 D939 R995 T998R938-E1000 WeakPolarHBondContact CD-O 3.49Å; D939-E1000 HydrophobicContact CB-CG 3.83Å; R995-E1000 IonicContact CZ-OE1 3.58Å; R995-E1000 IonicContact NH1-OE1 3.59Å; R995-E1000 PolarHBondContact NH1-OE1 3.4Å; R995-E1000 IonicContact NH2-OE1 3.81Å; T998-E1000 VanDerWaalsContact C-N 3.33Å; T998-E1000 WeakPolarHBondContact OG1-CB 3.35Å; T998-E1000 WeakPolarHBondContact OG1-CG 3.25Å; T998-E1000 PolarHBondContact OG1-N 3.15Å; T998-E1000 VanDerWaalsContact OG1-N 3.15Å; T998-E1000 PolarHBondContact OG1-OE1 2.88Å
1001V86.6Confident89.8Confident50 Ų5049.9 Ų49.930%0.30323%0.234SC..SBendtrans-120.9-177.7-178.4-58.10000109.5Y715 T998 W999 R1005Y715-V1001 VanDerWaalsContact CE2-O 3.29Å; Y715-V1001 WeakPolarHBondContact CE2-O 3.3Å; T998-V1001 HydrophobicContact CG2-CG2 3.83Å; W999-V1001 PolarHBondContact O-N 2.88Å; V1001-R1005 HydrophobicContact CB-CB 4.11Å; V1001-R1005 HydrophobicContact CB-CG 4.24Å; V1001-R1005 HydrophobicContact CG2-CB 3.85Å; V1001-R1005 HydrophobicContact CG2-CG 4.1Å
1002T89.2Confident89.5Confident24 Ų2451.5 Ų51.515%0.14725%0.25CC..  trans-69.8161.2173.551.90000113.5C242 S243 A1004 R1005 S1006C242-T1002 WeakPolarHBondContact O-CB 3.36Å; C242-T1002 WeakPolarHBondContact O-CG2 3.22Å; C242-T1002 PolarHBondContact O-OG1 2.95Å; S243-T1002 VanDerWaalsContact C-CG2 3.41Å; S243-T1002 WeakPolarHBondContact O-CG2 3.48Å; T1002-A1004 VanDerWaalsContact C-N 3.31Å; T1002-A1004 PolarHBondContact O-N 3.47Å; T1002-R1005 PolarHBondContact O-N 3.31Å; T1002-R1005 WeakPolarHBondContact OG1-CB 3.27Å; T1002-S1006 PolarHBondContact O-N 3.13Å
1003P90.5Very high89.5Confident17 Ų1749.4 Ų49.411%0.1125%0.245CC..Hα-helixtrans-56.2-46.7178-21.231.9000111.7D712 Y715 R1005 S1006 R1007D712-P1003 HydrophobicContact CB-CB 3.96Å; D712-P1003 HydrophobicContact CB-CG 3.88Å; D712-P1003 VanDerWaalsContact O-CG 3.24Å; D712-P1003 WeakPolarHBondContact O-CG 3.18Å; Y715-P1003 HydrophobicContact CE1-CB 4.47Å; Y715-P1003 HydrophobicContact CE1-CG 3.91Å; Y715-P1003 HydrophobicContact CE2-CB 4.36Å; Y715-P1003 HydrophobicContact CE2-CG 4.15Å; Y715-P1003 VanDerWaalsContact OH-CD 3.25Å; Y715-P1003 WeakPolarHBondContact OH-CD 3.17Å; Y715-P1003 WeakPolarHBondContact OH-CG 3.32Å; P1003-R1005 PolarHBondContact O-N 3.44Å; P1003-S1006 PolarHBondContact O-N 3.05Å; P1003-R1007 WeakPolarHBondContact O-CG 3.42Å; P1003-R1007 PolarHBondContact O-N 2.79Å
1004A91.1Very high89.5Confident0 Ų046.3 Ų46.30%024%0.239CC..Hα-helixtrans-59.9-27.7178.800000114.3T211 T213 C242 T1002T211-A1004 WeakPolarHBondContact OG1-CB 3.48Å; T213-A1004 HydrophobicContact CG2-CB 3.89Å; T213-A1004 PolarHBondContact OG1-O 2.74Å; C242-A1004 HydrophobicContact CB-CB 3.66Å; T1002-A1004 VanDerWaalsContact C-N 3.31Å; T1002-A1004 PolarHBondContact O-N 3.47Å
1005R90.7Very high89.4Confident160 Ų16046 Ų4660%0.60424%0.239SC*.Hα-helixtrans-92.7-31178.9-168170.8-170.8156.93.9112V1001 T1002 P1003 R1007 A1008V1001-R1005 HydrophobicContact CB-CB 4.11Å; V1001-R1005 HydrophobicContact CB-CG 4.24Å; V1001-R1005 HydrophobicContact CG2-CB 3.85Å; V1001-R1005 HydrophobicContact CG2-CG 4.1Å; T1002-R1005 PolarHBondContact O-N 3.31Å; T1002-R1005 WeakPolarHBondContact OG1-CB 3.27Å; P1003-R1005 PolarHBondContact O-N 3.44Å; R1005-R1007 VanDerWaalsContact C-N 3.3Å; R1005-R1007 PolarHBondContact O-N 2.84Å; R1005-A1008 WeakPolarHBondContact O-CB 3.48Å; R1005-A1008 PolarHBondContact O-N 3.23Å
1006S92.6Very high89.4Confident2 Ų244.7 Ų44.71%0.01424%0.24CC..Hα-helixtrans-60.4-42.1168.5-176.20000110.8T998 T1002 P1003 A1008 L1009T998-S1006 PolarHBondContact N-OG 3.34Å; T998-S1006 VanDerWaalsContact O-CB 3.28Å; T998-S1006 WeakPolarHBondContact O-CB 3.43Å; T998-S1006 PolarHBondContact O-OG 3.49Å; T1002-S1006 PolarHBondContact O-N 3.13Å; P1003-S1006 PolarHBondContact O-N 3.05Å; S1006-A1008 PolarHBondContact O-N 3.4Å; S1006-A1008 VanDerWaalsContact O-N 3.14Å; S1006-L1009 WeakPolarHBondContact O-CB 3.41Å; S1006-L1009 PolarHBondContact O-N 2.9Å
1007R91.6Very high89.2Confident4 Ų450.8 Ų50.82%0.01527%0.272CS..G310 helixtrans-60.4-22.9178.7-71.5-178.1-167.9102.55.7114.6T211 L215 E711 D712 F718 P1003 R1005 L1009 N1010T211-R1007 PolarHBondContact O-NH1 2.98Å; L215-R1007 WeakPolarHBondContact CD2-O 3.31Å; E711-R1007 PolarHBondContact O-NH2 3.05Å; D712-R1007 IonicContact OD1-CZ 2.75Å; D712-R1007 IonicContact OD1-NH1 3.9Å; D712-R1007 PolarHBondContact OD1-NH1 3.21Å; D712-R1007 IonicContact OD1-NH2 2.95Å; D712-R1007 PolarHBondContact OD1-NH2 2.72Å; F718-R1007 HydrophobicContact CD2-CG 4.12Å; F718-R1007 HydrophobicContact CE2-CG 4.32Å; F718-R1007 VanDerWaalsContact CE2-NE 3.34Å; P1003-R1007 WeakPolarHBondContact O-CG 3.42Å; P1003-R1007 PolarHBondContact O-N 2.79Å; R1005-R1007 VanDerWaalsContact C-N 3.3Å; R1005-R1007 PolarHBondContact O-N 2.84Å; R1007-L1009 PolarHBondContact O-N 2.75Å; R1007-N1010 WeakPolarHBondContact O-CB 3.46Å; R1007-N1010 PolarHBondContact O-N 3.48Å
1008A89.3Confident89.1Confident41 Ų4149.2 Ų49.234%0.33926%0.263SS..G310 helixtrans-67.9-12.4174.400000113.4T214 R1005 S1006T214-A1008 WeakPolarHBondContact OG1-CB 3.36Å; R1005-A1008 WeakPolarHBondContact O-CB 3.48Å; R1005-A1008 PolarHBondContact O-N 3.23Å; S1006-A1008 PolarHBondContact O-N 3.4Å; S1006-A1008 VanDerWaalsContact O-N 3.14Å
1009L91.1Very high89.2Confident74 Ų7448.6 Ų48.639%0.38726%0.259SS..G310 helixtrans-97.3-6.4175.3-56.4175.8000113.3T996 T998 S1006 R1007T996-L1009 CarbonylContact O-C 3.15Å; T996-L1009 VanDerWaalsContact O-C 3.31Å; T998-L1009 HydrophobicContact CG2-CD1 3.79Å; S1006-L1009 WeakPolarHBondContact O-CB 3.41Å; S1006-L1009 PolarHBondContact O-N 2.9Å; R1007-L1009 PolarHBondContact O-N 2.75Å
1010N92.3Very high89.5Confident7 Ų747.6 Ų47.64%0.03726%0.255CS..  trans-60.5139.8-177.6-70.55.4000110.6L215 Y716 N717 F718 E719 R1007L215-N1010 HydrophobicContact CD2-CB 4.08Å; Y716-N1010 PolarHBondContact O-ND2 3.49Å; Y716-N1010 PolarHBondContact O-OD1 3.29Å; N717-N1010 WeakPolarHBondContact OD1-CA 3.33Å; N717-N1010 VanDerWaalsContact OD1-CB 3.31Å; N717-N1010 WeakPolarHBondContact OD1-CB 3.44Å; F718-N1010 PolarHBondContact N-ND2 3.3Å; E719-N1010 HydrophobicContact CG-CB 4.25Å; R1007-N1010 WeakPolarHBondContact O-CB 3.46Å; R1007-N1010 PolarHBondContact O-N 3.48Å
1011Q90.4Very high90Very high79 Ų7945.6 Ų45.637%0.36925%0.246SC..  trans-139.8150.4-176.1-77.7-164.258.600110.8N717 H994N717-Q1011 PolarHBondContact ND2-O 2.91Å; N717-Q1011 PolarHBondContact OD1-N 3.48Å; N717-Q1011 VanDerWaalsContact OD1-N 3.08Å; N717-Q1011 PolarHBondContact OD1-O 3.23Å; N717-Q1011 VanDerWaalsContact OD1-O 3.11Å; H994-Q1011 PolarHBondContact NE2-NE2 3.41Å
1012P89Confident90.3Very high80 Ų8045.2 Ų45.252%0.51924%0.241SC..  trans-60.8158.1176.628.1-36.7000111.5
1013C89.7Confident90.5Very high26 Ų2644.1 Ų44.118%0.17623%0.234CC..  trans-55.6144.5175.4-58.90000112.5C720 H722C720-C1013 WeakPolarHBondContact CA-SG 3.2Å; C720-C1013 HydrophobicContact CB-CB 4.12Å; C720-C1013 WeakPolarHBondContact CB-SG 3.42Å; C720-C1013 WeakPolarHBondContact SG-CA 3.44Å; C720-C1013 WeakPolarHBondContact SG-CB 3.39Å; C720-C1013 CovalentContact SG-SG 2.03Å; C720-C1013 PolarHBondContact SG-SG 2.95Å; H722-C1013 PolarHBondContact NE2-SG 3.14Å
1014V90.8Very high90.7Very high91 Ų9144 Ų4455%0.55223%0.233SC*.SBendtrans-101.1-31.7-177.6-1780000111.6Y1019V1014-Y1019 PolarHBondContact N-O 3.17Å
1015L87.9Confident91Very high73 Ų7344.8 Ų44.838%0.38224%0.236SC..BIsolated β-bridgetrans-127.5126-174.1178.567000111.6D1017 F1018 Y1019 V1024L1015-D1017 PolarHBondContact O-N 2.9Å; L1015-D1017 VanDerWaalsContact O-N 3.15Å; L1015-F1018 PolarHBondContact O-N 3.24Å; L1015-F1018 VanDerWaalsContact O-N 3.09Å; L1015-Y1019 HydrophobicContact CD2-CD2 4.28Å; L1015-Y1019 HydrophobicContact CG-CD2 4.43Å; L1015-Y1019 PolarHBondContact N-O 2.82Å; L1015-Y1019 VanDerWaalsContact N-O 3.08Å; L1015-Y1019 PolarHBondContact O-N 2.88Å; L1015-V1024 HydrophobicContact CB-CG2 4.07Å; L1015-V1024 HydrophobicContact CD2-CG2 3.98Å
1016L84.8Confident91.2Very high85 Ų8537.1 Ų37.145%0.44521%0.207SC..THydrogen-bonded Turntrans54.624.4178.1-61.9173.6000115.2P290 F1018P290-L1016 HydrophobicContact CB-CD1 4.38Å; P290-L1016 HydrophobicContact CG-CB 4.16Å; P290-L1016 HydrophobicContact CG-CD1 4.42Å; L1016-F1018 PolarHBondContact O-N 2.9Å
1017D85.2Confident91.3Very high132 Ų13238.1 Ų38.171%0.70621%0.211SC*.THydrogen-bonded Turntrans48.837.5-171.4-54.3-33.9000112.5H722 L1015H722-D1017 PolarHBondContact NE2-O 2.99Å; L1015-D1017 PolarHBondContact O-N 2.9Å; L1015-D1017 VanDerWaalsContact O-N 3.15Å
1018F88.2Confident91.5Very high2 Ų240 Ų401%0.00922%0.222CC..THydrogen-bonded Turntrans-147.8-28-173.8-168-98.2000115.6Y287 P290 H722 N731 L1015 L1016Y287-F1018 AromaticContact CD1-CE2 3.38Å; Y287-F1018 HydrophobicContact CD1-CE2 3.38Å; Y287-F1018 AromaticContact CD1-CZ 3.67Å; Y287-F1018 HydrophobicContact CD1-CZ 3.67Å; Y287-F1018 HydrophobicContact CD2-CE2 4.47Å; Y287-F1018 AromaticContact CE1-CE2 3.51Å; Y287-F1018 HydrophobicContact CE1-CE2 3.51Å; Y287-F1018 AromaticContact CE1-CZ 3.98Å; Y287-F1018 HydrophobicContact CE1-CZ 3.98Å; Y287-F1018 AromaticContact CG-CE2 3.91Å; Y287-F1018 HydrophobicContact CG-CE2 3.91Å; Y287-F1018 HydrophobicContact CG-CZ 4.44Å; P290-F1018 HydrophobicContact CB-CB 3.84Å; P290-F1018 HydrophobicContact CB-CD1 3.36Å; P290-F1018 HydrophobicContact CB-CD2 4.43Å; P290-F1018 HydrophobicContact CB-CE1 4Å; P290-F1018 HydrophobicContact CB-CG 3.6Å; P290-F1018 HydrophobicContact CG-CB 3.55Å; P290-F1018 HydrophobicContact CG-CD1 3.94Å; P290-F1018 HydrophobicContact CG-CD2 4.2Å; P290-F1018 HydrophobicContact CG-CG 3.61Å; H722-F1018 HydrophobicContact CB-CD2 4.09Å; H722-F1018 HydrophobicContact CB-CE2 3.54Å; H722-F1018 HydrophobicContact CB-CZ 4.18Å; H722-F1018 AromaticContact CD2-CD2 3.57Å; H722-F1018 AromaticContact CD2-CE2 3.93Å; H722-F1018 PolarHBondContact CD2-O 3.36Å; H722-F1018 AromaticContact CG-CD2 3.67Å; H722-F1018 AromaticContact CG-CE2 3.66Å; N731-F1018 HydrophobicContact CB-CD1 4.05Å; N731-F1018 HydrophobicContact CB-CE1 3.64Å; N731-F1018 HydrophobicContact CB-CZ 3.97Å; N731-F1018 VanDerWaalsContact CB-O 3.27Å; N731-F1018 WeakPolarHBondContact CB-O 3.45Å; L1015-F1018 PolarHBondContact O-N 3.24Å; L1015-F1018 VanDerWaalsContact O-N 3.09Å; L1016-F1018 PolarHBondContact O-N 2.9Å
1019Y91.8Very high91.9Very high3 Ų338.1 Ų38.11%0.01221%0.206CC..BIsolated β-bridgetrans-117.4135.9-179-62.4-64.1000110.5P290 A294 N731 I734 V1014 L1015 D1023 F1027P290-Y1019 VanDerWaalsContact C-OH 3.28Å; P290-Y1019 HydrophobicContact CB-CD2 4.44Å; P290-Y1019 HydrophobicContact CB-CE2 3.61Å; P290-Y1019 PolarHBondContact O-OH 2.81Å; A294-Y1019 WeakPolarHBondContact CB-OH 3.31Å; N731-Y1019 HydrophobicContact CB-CD1 4.29Å; I734-Y1019 HydrophobicContact CG2-CE1 4.35Å; I734-Y1019 VanDerWaalsContact CG2-OH 3.24Å; I734-Y1019 WeakPolarHBondContact CG2-OH 3.32Å; V1014-Y1019 PolarHBondContact N-O 3.17Å; L1015-Y1019 HydrophobicContact CD2-CD2 4.28Å; L1015-Y1019 HydrophobicContact CG-CD2 4.43Å; L1015-Y1019 PolarHBondContact N-O 2.82Å; L1015-Y1019 VanDerWaalsContact N-O 3.08Å; L1015-Y1019 PolarHBondContact O-N 2.88Å; Y1019-D1023 WeakPolarHBondContact CA-OD2 3.35Å; Y1019-D1023 HydrophobicContact CD1-CB 3.81Å; Y1019-D1023 HydrophobicContact CG-CB 4.17Å; Y1019-F1027 HydrophobicContact CD1-CE2 4.02Å; Y1019-F1027 HydrophobicContact CD1-CZ 4.1Å; Y1019-F1027 AromaticContact CD2-CE2 3.82Å; Y1019-F1027 HydrophobicContact CD2-CE2 3.82Å; Y1019-F1027 HydrophobicContact CD2-CZ 4.29Å; Y1019-F1027 HydrophobicContact CE1-CE2 4.02Å; Y1019-F1027 AromaticContact CE1-CZ 3.66Å; Y1019-F1027 HydrophobicContact CE1-CZ 3.66Å; Y1019-F1027 AromaticContact CE2-CE2 3.81Å; Y1019-F1027 HydrophobicContact CE2-CE2 3.81Å; Y1019-F1027 AromaticContact CE2-CZ 3.86Å; Y1019-F1027 HydrophobicContact CE2-CZ 3.86Å; Y1019-F1027 AromaticContact CG-CE2 3.92Å; Y1019-F1027 HydrophobicContact CG-CE2 3.92Å; Y1019-F1027 HydrophobicContact CG-CZ 4.4Å; Y1019-F1027 AromaticContact CZ-CE2 3.94Å; Y1019-F1027 AromaticContact CZ-CZ 3.54Å
1020D92.4Very high92.2Very high6 Ų634.6 Ų34.63%0.03219%0.187CC..  trans-89.4-175.4174.890.5-11.1000112.7N717 C720 T996 H1022 D1023 V1024N717-D1020 PolarHBondContact ND2-OD2 3.28Å; C720-D1020 HydrophobicContact CB-CB 4.04Å; T996-D1020 WeakPolarHBondContact CB-OD2 3.48Å; T996-D1020 WeakPolarHBondContact CG2-OD2 3.43Å; T996-D1020 PolarHBondContact OG1-OD2 3.24Å; D1020-H1022 VanDerWaalsContact C-N 3.27Å; D1020-H1022 PolarHBondContact O-N 3.07Å; D1020-H1022 WeakPolarHBondContact OD1-CA 3.34Å; D1020-H1022 WeakPolarHBondContact OD1-CB 3.38Å; D1020-H1022 PolarHBondContact OD1-N 3.13Å; D1020-D1023 PolarHBondContact N-OD2 3.29Å; D1020-D1023 PolarHBondContact O-N 2.93Å; D1020-D1023 PolarHBondContact OD1-N 3.39Å; D1020-V1024 WeakPolarHBondContact O-CG2 3.36Å; D1020-V1024 PolarHBondContact O-N 3.44Å; D1020-V1024 VanDerWaalsContact O-N 3.13Å
1021A93.9Very high92.4Very high2 Ų235.8 Ų35.82%0.01719%0.193CC..Hα-helixtrans-62.9-32.2179.500000113.2F991 H994 T996 W1025F991-A1021 HydrophobicContact CD1-CB 4.11Å; H994-A1021 HydrophobicContact CB-CB 4.21Å; T996-A1021 HydrophobicContact CG2-CB 4.16Å; A1021-W1025 PolarHBondContact O-N 3.17Å; A1021-W1025 VanDerWaalsContact O-N 3.08Å
1022H93.5Very high92.7Very high42 Ų4232 Ų3219%0.19418%0.176CC..Hα-helixtrans-77.6-39.3-179.9-167.971.7000111H797 D1020 V1024 W1025 H1026H797-H1022 AromaticContact CE1-CD2 3.56Å; H797-H1022 AromaticContact CE1-NE2 3.02Å; H797-H1022 PolarHBondContact CE1-NE2 3.34Å; H797-H1022 AromaticContact ND1-NE2 3.98Å; H797-H1022 AromaticContact NE2-CD2 3.9Å; H797-H1022 AromaticContact NE2-NE2 3.11Å; H797-H1022 PolarHBondContact NE2-NE2 2.77Å; H797-H1022 VanDerWaalsContact NE2-NE2 3.11Å; D1020-H1022 VanDerWaalsContact C-N 3.27Å; D1020-H1022 PolarHBondContact O-N 3.07Å; D1020-H1022 WeakPolarHBondContact OD1-CA 3.34Å; D1020-H1022 WeakPolarHBondContact OD1-CB 3.38Å; D1020-H1022 PolarHBondContact OD1-N 3.13Å; H1022-V1024 VanDerWaalsContact C-N 3.3Å; H1022-V1024 PolarHBondContact O-N 3.35Å; H1022-W1025 AromaticContact CE1-CE3 3.6Å; H1022-W1025 AromaticContact CE1-CZ3 3.86Å; H1022-W1025 AromaticContact NE2-CE3 3.99Å; H1022-W1025 WeakPolarHBondContact O-CA 3.27Å; H1022-W1025 VanDerWaalsContact O-CB 3.28Å; H1022-W1025 WeakPolarHBondContact O-CB 3.46Å; H1022-W1025 PolarHBondContact O-N 3.14Å; H1022-H1026 AromaticContact CD2-CD2 3.62Å; H1022-H1026 AromaticContact CD2-NE2 3.1Å; H1022-H1026 PolarHBondContact CD2-NE2 2.79Å; H1022-H1026 AromaticContact CE1-NE2 3.99Å; H1022-H1026 AromaticContact NE2-CD2 3.76Å; H1022-H1026 AromaticContact NE2-CE1 3.63Å; H1022-H1026 AromaticContact NE2-NE2 2.94Å; H1022-H1026 PolarHBondContact NE2-NE2 2.91Å; H1022-H1026 PolarHBondContact O-CD2 2.86Å; H1022-H1026 PolarHBondContact O-N 3.46Å
1023D94.4Very high93.1Very high0 Ų029.5 Ų29.50%016%0.157CC..Hα-helixtrans-55.7-43.5168.5-77.4-40.7000112.5N731 N732 S735 Y1019 D1020 W1025 H1026 F1027N731-D1023 PolarHBondContact ND2-OD2 3.2Å; N732-D1023 WeakPolarHBondContact CA-OD1 3.21Å; N732-D1023 PolarHBondContact OD1-OD1 3.11Å; S735-D1023 WeakPolarHBondContact CB-OD1 3.46Å; S735-D1023 PolarHBondContact OG-OD1 3.42Å; Y1019-D1023 WeakPolarHBondContact CA-OD2 3.35Å; Y1019-D1023 HydrophobicContact CD1-CB 3.81Å; Y1019-D1023 HydrophobicContact CG-CB 4.17Å; D1020-D1023 PolarHBondContact N-OD2 3.29Å; D1020-D1023 PolarHBondContact O-N 2.93Å; D1020-D1023 PolarHBondContact OD1-N 3.39Å; D1023-W1025 VanDerWaalsContact C-N 3.3Å; D1023-W1025 PolarHBondContact O-N 2.63Å; D1023-H1026 PolarHBondContact O-N 2.85Å; D1023-F1027 PolarHBondContact O-N 3.18Å
1024V94.8Very high93.5Very high14 Ų1428.6 Ų28.69%0.08515%0.15CC..Hα-helixtrans-66.7-32.3175.9175.30000111.6F991 L1015 D1020 H1022 F1027 L1028F991-V1024 HydrophobicContact CD1-CB 4.13Å; F991-V1024 HydrophobicContact CD1-CG1 3.95Å; F991-V1024 HydrophobicContact CD2-CG1 3.75Å; F991-V1024 HydrophobicContact CE1-CB 4.27Å; F991-V1024 HydrophobicContact CE1-CG1 3.88Å; F991-V1024 HydrophobicContact CE2-CG1 3.68Å; F991-V1024 HydrophobicContact CG-CB 4.35Å; F991-V1024 HydrophobicContact CG-CG1 3.89Å; F991-V1024 HydrophobicContact CZ-CG1 3.75Å; L1015-V1024 HydrophobicContact CB-CG2 4.07Å; L1015-V1024 HydrophobicContact CD2-CG2 3.98Å; D1020-V1024 WeakPolarHBondContact O-CG2 3.36Å; D1020-V1024 PolarHBondContact O-N 3.44Å; D1020-V1024 VanDerWaalsContact O-N 3.13Å; H1022-V1024 VanDerWaalsContact C-N 3.3Å; H1022-V1024 PolarHBondContact O-N 3.35Å; V1024-F1027 PolarHBondContact O-N 2.96Å; V1024-L1028 HydrophobicContact CG1-CD1 3.86Å; V1024-L1028 HydrophobicContact CG1-CG 4.4Å; V1024-L1028 WeakPolarHBondContact O-CG 3.49Å; V1024-L1028 PolarHBondContact O-N 3.44Å; V1024-L1028 VanDerWaalsContact O-N 3.1Å
1025W95.5Very high93.8Very high17 Ų1725.4 Ų25.46%0.06413%0.129CC..Hα-helixtrans-60.2-53169.217178.5000111.5M812 F991 Y992 A1021 H1022 D1023 F1027 L1028 S1029M812-W1025 HydrophobicContact CE-CH2 4.1Å; M812-W1025 HydrophobicContact CE-CZ2 4.35Å; F991-W1025 HydrophobicContact CB-CB 4.05Å; Y992-W1025 HydrophobicContact CD2-CD2 4.35Å; Y992-W1025 AromaticContact CD2-CE2 3.78Å; Y992-W1025 HydrophobicContact CD2-CZ2 4.14Å; Y992-W1025 AromaticContact CD2-NE1 3.62Å; Y992-W1025 HydrophobicContact CE2-CZ2 4.47Å; A1021-W1025 PolarHBondContact O-N 3.17Å; A1021-W1025 VanDerWaalsContact O-N 3.08Å; H1022-W1025 AromaticContact CE1-CE3 3.6Å; H1022-W1025 AromaticContact CE1-CZ3 3.86Å; H1022-W1025 AromaticContact NE2-CE3 3.99Å; H1022-W1025 WeakPolarHBondContact O-CA 3.27Å; H1022-W1025 VanDerWaalsContact O-CB 3.28Å; H1022-W1025 WeakPolarHBondContact O-CB 3.46Å; H1022-W1025 PolarHBondContact O-N 3.14Å; D1023-W1025 VanDerWaalsContact C-N 3.3Å; D1023-W1025 PolarHBondContact O-N 2.63Å; W1025-F1027 PolarHBondContact O-N 2.88Å; W1025-L1028 PolarHBondContact O-N 3.5Å; W1025-S1029 WeakPolarHBondContact O-CB 3.44Å; W1025-S1029 PolarHBondContact O-N 2.86Å; W1025-S1029 PolarHBondContact O-OG 3.27Å
1026H95.5Very high94.2Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-53.2-39.2178.6-69.4-84.1000112.4N736 Y739 S793 H797 H1022 D1023 S1029 S1030N736-H1026 PolarHBondContact ND2-CE1 3.41Å; N736-H1026 VanDerWaalsContact ND2-CE1 3.27Å; N736-H1026 PolarHBondContact ND2-ND1 3.42Å; N736-H1026 PolarHBondContact OD1-CE1 3.39Å; N736-H1026 PolarHBondContact OD1-ND1 3.23Å; Y739-H1026 HydrophobicContact CE2-CB 4.15Å; Y739-H1026 AromaticContact CE2-ND1 3.75Å; S793-H1026 PolarHBondContact OG-CE1 3.09Å; S793-H1026 VanDerWaalsContact OG-CE1 3.25Å; H797-H1026 AromaticContact CD2-CE1 3.46Å; H797-H1026 PolarHBondContact CD2-CE1 3.15Å; H797-H1026 VanDerWaalsContact CD2-CE1 3.46Å; H797-H1026 AromaticContact CD2-NE2 3.53Å; H797-H1026 AromaticContact NE2-CE1 3.43Å; H797-H1026 PolarHBondContact NE2-CE1 2.81Å; H797-H1026 AromaticContact NE2-NE2 3.44Å; H797-H1026 PolarHBondContact NE2-NE2 2.9Å; H1022-H1026 AromaticContact CD2-CD2 3.62Å; H1022-H1026 AromaticContact CD2-NE2 3.1Å; H1022-H1026 PolarHBondContact CD2-NE2 2.79Å; H1022-H1026 AromaticContact CE1-NE2 3.99Å; H1022-H1026 AromaticContact NE2-CD2 3.76Å; H1022-H1026 AromaticContact NE2-CE1 3.63Å; H1022-H1026 AromaticContact NE2-NE2 2.94Å; H1022-H1026 PolarHBondContact NE2-NE2 2.91Å; H1022-H1026 PolarHBondContact O-CD2 2.86Å; H1022-H1026 PolarHBondContact O-N 3.46Å; D1023-H1026 PolarHBondContact O-N 2.85Å; H1026-S1029 WeakPolarHBondContact CA-OG 3.49Å; H1026-S1029 PolarHBondContact O-OG 3.23Å; H1026-S1030 WeakPolarHBondContact O-CB 3.49Å; H1026-S1030 PolarHBondContact O-N 3.12Å; H1026-S1030 VanDerWaalsContact O-N 3.17Å; H1026-S1030 PolarHBondContact O-OG 3.44Å; H1026-S1030 VanDerWaalsContact O-OG 3.06Å
1027F95.5Very high94.8Very high22 Ų2219 Ų1910%0.09610%0.098CC..Hα-helixtrans-64.6-50175.7-68.8-32000112.8A294 Y298 S735 Y1019 D1023 V1024 W1025 S1030 I1031A294-F1027 HydrophobicContact CB-CE1 3.8Å; A294-F1027 HydrophobicContact CB-CZ 3.65Å; Y298-F1027 HydrophobicContact CE2-CD1 4.06Å; Y298-F1027 HydrophobicContact CE2-CE1 4.16Å; Y298-F1027 VanDerWaalsContact OH-CA 3.28Å; Y298-F1027 WeakPolarHBondContact OH-CA 3.49Å; Y298-F1027 WeakPolarHBondContact OH-CD1 3.38Å; Y298-F1027 PolarHBondContact OH-O 3.18Å; S735-F1027 VanDerWaalsContact CA-CE1 3.42Å; S735-F1027 WeakPolarHBondContact O-CD1 3.46Å; Y1019-F1027 HydrophobicContact CD1-CE2 4.02Å; Y1019-F1027 HydrophobicContact CD1-CZ 4.1Å; Y1019-F1027 AromaticContact CD2-CE2 3.82Å; Y1019-F1027 HydrophobicContact CD2-CE2 3.82Å; Y1019-F1027 HydrophobicContact CD2-CZ 4.29Å; Y1019-F1027 HydrophobicContact CE1-CE2 4.02Å; Y1019-F1027 AromaticContact CE1-CZ 3.66Å; Y1019-F1027 HydrophobicContact CE1-CZ 3.66Å; Y1019-F1027 AromaticContact CE2-CE2 3.81Å; Y1019-F1027 HydrophobicContact CE2-CE2 3.81Å; Y1019-F1027 AromaticContact CE2-CZ 3.86Å; Y1019-F1027 HydrophobicContact CE2-CZ 3.86Å; Y1019-F1027 AromaticContact CG-CE2 3.92Å; Y1019-F1027 HydrophobicContact CG-CE2 3.92Å; Y1019-F1027 HydrophobicContact CG-CZ 4.4Å; Y1019-F1027 AromaticContact CZ-CE2 3.94Å; Y1019-F1027 AromaticContact CZ-CZ 3.54Å; D1023-F1027 PolarHBondContact O-N 3.18Å; V1024-F1027 PolarHBondContact O-N 2.96Å; W1025-F1027 PolarHBondContact O-N 2.88Å; F1027-S1030 PolarHBondContact O-OG 3.15Å; F1027-I1031 WeakPolarHBondContact O-CG1 3.16Å; F1027-I1031 PolarHBondContact O-N 3.09Å
1028L96.1Very high95.3Very high44 Ų4412.8 Ų12.823%0.236%0.064CC..Hα-helixtrans-72.9-36.2-176.4-66.5170.4000112.5C987 A988 F991 V1024 W1025 S1032C987-L1028 HydrophobicContact CB-CD1 4.01Å; C987-L1028 HydrophobicContact CB-CD2 4.46Å; A988-L1028 HydrophobicContact CB-CB 3.74Å; F991-L1028 HydrophobicContact CD2-CD1 3.58Å; F991-L1028 HydrophobicContact CE2-CD1 3.91Å; V1024-L1028 HydrophobicContact CG1-CD1 3.86Å; V1024-L1028 HydrophobicContact CG1-CG 4.4Å; V1024-L1028 WeakPolarHBondContact O-CG 3.49Å; V1024-L1028 PolarHBondContact O-N 3.44Å; V1024-L1028 VanDerWaalsContact O-N 3.1Å; W1025-L1028 PolarHBondContact O-N 3.5Å; L1028-S1032 WeakPolarHBondContact O-CB 3.39Å; L1028-S1032 PolarHBondContact O-N 3.31Å; L1028-S1032 PolarHBondContact O-OG 3.05Å
1029S96.7Very high95.6Very high1 Ų113.8 Ų13.81%0.0077%0.07CC..Hα-helixtrans-68.5-40.5177.859.90000112.1Y739 W1025 H1026 I1031 S1032 M1033Y739-S1029 VanDerWaalsContact CZ-OG 3.31Å; Y739-S1029 PolarHBondContact OH-OG 3.04Å; W1025-S1029 WeakPolarHBondContact O-CB 3.44Å; W1025-S1029 PolarHBondContact O-N 2.86Å; W1025-S1029 PolarHBondContact O-OG 3.27Å; H1026-S1029 WeakPolarHBondContact CA-OG 3.49Å; H1026-S1029 PolarHBondContact O-OG 3.23Å; S1029-I1031 PolarHBondContact O-N 3.2Å; S1029-S1032 WeakPolarHBondContact O-CB 3.47Å; S1029-S1032 PolarHBondContact O-N 3Å; S1029-S1032 VanDerWaalsContact O-N 3.14Å; S1029-M1033 PolarHBondContact O-N 3.27Å
1030S97.3Very high95.8Very high0 Ų014.8 Ų14.80%08%0.075CC..Hα-helixtrans-63.6-42.4177.2670000112.1Y298 Y739 L742 H1026 F1027 S1032 M1033 F1034Y298-S1030 PolarHBondContact OH-OG 2.62Å; Y739-S1030 VanDerWaalsContact CD1-CB 3.45Å; L742-S1030 WeakPolarHBondContact CD1-O 3.37Å; H1026-S1030 WeakPolarHBondContact O-CB 3.49Å; H1026-S1030 PolarHBondContact O-N 3.12Å; H1026-S1030 VanDerWaalsContact O-N 3.17Å; H1026-S1030 PolarHBondContact O-OG 3.44Å; H1026-S1030 VanDerWaalsContact O-OG 3.06Å; F1027-S1030 PolarHBondContact O-OG 3.15Å; S1030-S1032 VanDerWaalsContact C-N 3.34Å; S1030-S1032 PolarHBondContact O-N 3.44Å; S1030-M1033 PolarHBondContact O-N 3.46Å; S1030-F1034 PolarHBondContact O-N 3.1Å
1031I97.5Very high95.8Very high32 Ų3214.8 Ų14.816%0.1648%0.075CC..Hα-helixtrans-60.7-43.3171.3-67.8171.3000110.9Y298 F301 L742 F1027 S1029 F1034 F1035Y298-I1031 HydrophobicContact CE1-CD1 4.39Å; Y298-I1031 HydrophobicContact CE1-CG1 4.03Å; F301-I1031 HydrophobicContact CE1-CG2 4.44Å; F301-I1031 HydrophobicContact CE2-CD1 4.36Å; F301-I1031 HydrophobicContact CE2-CG1 4.34Å; F301-I1031 HydrophobicContact CZ-CD1 4.26Å; F301-I1031 HydrophobicContact CZ-CG1 4Å; F301-I1031 HydrophobicContact CZ-CG2 3.94Å; L742-I1031 HydrophobicContact CD1-CG1 4.08Å; F1027-I1031 WeakPolarHBondContact O-CG1 3.16Å; F1027-I1031 PolarHBondContact O-N 3.09Å; S1029-I1031 PolarHBondContact O-N 3.2Å; I1031-F1034 PolarHBondContact O-N 3.42Å; I1031-F1035 HydrophobicContact CG2-CD2 3.73Å; I1031-F1035 HydrophobicContact CG2-CE2 3.32Å; I1031-F1035 HydrophobicContact CG2-CZ 4.07Å; I1031-F1035 WeakPolarHBondContact O-CD2 3.32Å; I1031-F1035 PolarHBondContact O-N 2.94Å
1032S97.1Very high95.8Very high0 Ų016.5 Ų16.50%08%0.081CC..Hα-helixtrans-65.6-42.1-179.6-58.10000113.1S984 W985 L1028 S1029 S1030 F1035 S1036S984-S1032 WeakPolarHBondContact CB-OG 3.49Å; S984-S1032 PolarHBondContact O-OG 3.49Å; S984-S1032 VanDerWaalsContact OG-CA 3.28Å; S984-S1032 WeakPolarHBondContact OG-CA 3.24Å; S984-S1032 VanDerWaalsContact OG-CB 3.31Å; S984-S1032 WeakPolarHBondContact OG-CB 3.45Å; S984-S1032 PolarHBondContact OG-OG 3.1Å; W985-S1032 VanDerWaalsContact CE2-CB 3.48Å; W985-S1032 PolarHBondContact N-OG 3.29Å; L1028-S1032 WeakPolarHBondContact O-CB 3.39Å; L1028-S1032 PolarHBondContact O-N 3.31Å; L1028-S1032 PolarHBondContact O-OG 3.05Å; S1029-S1032 WeakPolarHBondContact O-CB 3.47Å; S1029-S1032 PolarHBondContact O-N 3Å; S1029-S1032 VanDerWaalsContact O-N 3.14Å; S1030-S1032 VanDerWaalsContact C-N 3.34Å; S1030-S1032 PolarHBondContact O-N 3.44Å; S1032-F1035 PolarHBondContact O-N 3.21Å; S1032-S1036 WeakPolarHBondContact O-CB 3.28Å; S1032-S1036 PolarHBondContact O-N 2.98Å; S1032-S1036 PolarHBondContact O-OG 2.96Å; S1032-S1036 VanDerWaalsContact O-OG 3.11Å
1033M96.6Very high95.8Very high27 Ų2715.3 Ų15.313%0.1338%0.077CC..Hα-helixtrans-63.3-42.4173.9-78.1-68.6-83.900111.5L786 L815 W985 S1029 S1030 F1035 S1036 F1037L786-M1033 HydrophobicContact CD1-CB 3.79Å; L786-M1033 HydrophobicContact CD1-CE 4.17Å; L786-M1033 HydrophobicContact CD1-CG 4.26Å; L786-M1033 HydrophobicContact CD2-CB 4.46Å; L815-M1033 HydrophobicContact CB-CE 4.16Å; L815-M1033 HydrophobicContact CD1-CE 4.05Å; L815-M1033 HydrophobicContact CD2-CE 3.88Å; L815-M1033 HydrophobicContact CG-CE 4.28Å; W985-M1033 HydrophobicContact CH2-CG 4.15Å; W985-M1033 HydrophobicContact CH2-SD 4.24Å; W985-M1033 HydrophobicContact CZ2-CG 3.85Å; W985-M1033 HydrophobicContact CZ2-SD 3.73Å; S1029-M1033 PolarHBondContact O-N 3.27Å; S1030-M1033 PolarHBondContact O-N 3.46Å; M1033-F1035 PolarHBondContact O-N 2.81Å; M1033-S1036 PolarHBondContact O-N 2.65Å; M1033-F1037 HydrophobicContact CE-CE1 3.71Å; M1033-F1037 HydrophobicContact CE-CZ 3.87Å; M1033-F1037 WeakPolarHBondContact O-CB 3.28Å; M1033-F1037 VanDerWaalsContact O-CD1 3.24Å; M1033-F1037 WeakPolarHBondContact O-CD1 3.42Å; M1033-F1037 VanDerWaalsContact O-CG 3.3Å; M1033-F1037 WeakPolarHBondContact O-CG 3.42Å; M1033-F1037 PolarHBondContact O-N 3.33Å; M1033-F1037 HydrophobicContact SD-CE1 4.35Å
1034F97.5Very high95.7Very high7 Ų716 Ų163%0.0318%0.081CC..Hα-helixtrans-60.3-44174.5-179.7-98.2000112.4F301 L742 L745 F746 L749 S1030 I1031 F1037 M1038F301-F1034 HydrophobicContact CD1-CD1 4.11Å; F301-F1034 HydrophobicContact CD1-CE1 4Å; F301-F1034 HydrophobicContact CE1-CD1 4.2Å; F301-F1034 HydrophobicContact CE1-CE1 4.45Å; L742-F1034 HydrophobicContact CB-CB 4.05Å; L742-F1034 HydrophobicContact CB-CD2 3.96Å; L742-F1034 HydrophobicContact CB-CG 4.2Å; L742-F1034 HydrophobicContact CD1-CB 3.97Å; L742-F1034 HydrophobicContact CD1-CG 4.47Å; L742-F1034 HydrophobicContact CD2-CB 4.47Å; L742-F1034 HydrophobicContact CD2-CD1 4.42Å; L742-F1034 HydrophobicContact CD2-CD2 4.18Å; L742-F1034 HydrophobicContact CD2-CG 4.1Å; L742-F1034 HydrophobicContact CG-CB 4.39Å; L742-F1034 HydrophobicContact CG-CG 4.49Å; L745-F1034 HydrophobicContact CB-CE2 4.31Å; L745-F1034 HydrophobicContact CD2-CE2 3.9Å; L745-F1034 HydrophobicContact CD2-CZ 3.77Å; L745-F1034 HydrophobicContact CG-CE2 3.97Å; L745-F1034 HydrophobicContact CG-CZ 4.16Å; F746-F1034 HydrophobicContact CB-CD2 4.41Å; F746-F1034 HydrophobicContact CB-CE2 4.35Å; L749-F1034 HydrophobicContact CD1-CE2 4.24Å; L749-F1034 HydrophobicContact CD1-CZ 3.97Å; S1030-F1034 PolarHBondContact O-N 3.1Å; I1031-F1034 PolarHBondContact O-N 3.42Å; F1034-F1037 PolarHBondContact O-N 3.04Å; F1034-M1038 HydrophobicContact CD1-CG 4.26Å; F1034-M1038 HydrophobicContact CE1-CG 3.84Å; F1034-M1038 HydrophobicContact CE2-CE 4.18Å; F1034-M1038 HydrophobicContact CZ-CE 4.16Å; F1034-M1038 HydrophobicContact CZ-CG 4Å; F1034-M1038 HydrophobicContact CZ-SD 4.25Å; F1034-M1038 WeakPolarHBondContact O-CG 3.28Å; F1034-M1038 PolarHBondContact O-N 2.83Å
1035F97Very high95.4Very high25 Ų2516.7 Ų16.711%0.118%0.084CC..Hα-helixtrans-68.7-37.4176-66.7-39.4000113.1F301 Y977 L980 T981 I1031 S1032 M1033 F1037 M1038 L1039F301-F1035 AromaticContact CE1-CE1 3.82Å; F301-F1035 HydrophobicContact CE1-CE1 3.82Å; F301-F1035 HydrophobicContact CE1-CE2 4.48Å; F301-F1035 AromaticContact CE1-CZ 3.63Å; F301-F1035 HydrophobicContact CE1-CZ 3.63Å; F301-F1035 HydrophobicContact CZ-CZ 4.04Å; Y977-F1035 HydrophobicContact CD1-CD1 4.07Å; Y977-F1035 HydrophobicContact CE1-CD1 4.18Å; L980-F1035 HydrophobicContact CB-CD1 4.45Å; L980-F1035 HydrophobicContact CB-CD2 3.82Å; L980-F1035 HydrophobicContact CB-CE2 3.99Å; L980-F1035 HydrophobicContact CB-CG 4.07Å; L980-F1035 HydrophobicContact CB-CZ 4.39Å; L980-F1035 HydrophobicContact CD1-CD1 4.33Å; L980-F1035 HydrophobicContact CD1-CE1 3.98Å; L980-F1035 HydrophobicContact CD1-CE2 4.47Å; L980-F1035 HydrophobicContact CD1-CZ 4.05Å; L980-F1035 HydrophobicContact CD2-CE2 4.42Å; L980-F1035 HydrophobicContact CD2-CZ 4.49Å; T981-F1035 VanDerWaalsContact OG1-C 3.3Å; T981-F1035 WeakPolarHBondContact OG1-CB 3.35Å; T981-F1035 PolarHBondContact OG1-O 3.28Å; I1031-F1035 HydrophobicContact CG2-CD2 3.73Å; I1031-F1035 HydrophobicContact CG2-CE2 3.32Å; I1031-F1035 HydrophobicContact CG2-CZ 4.07Å; I1031-F1035 WeakPolarHBondContact O-CD2 3.32Å; I1031-F1035 PolarHBondContact O-N 2.94Å; S1032-F1035 PolarHBondContact O-N 3.21Å; M1033-F1035 PolarHBondContact O-N 2.81Å; F1035-F1037 VanDerWaalsContact C-N 3.31Å; F1035-F1037 PolarHBondContact O-N 3.23Å; F1035-M1038 PolarHBondContact O-N 2.91Å; F1035-L1039 WeakPolarHBondContact O-CB 3.25Å; F1035-L1039 PolarHBondContact O-N 3.38Å
1036S96.6Very high95.1Very high22 Ų2217.8 Ų17.815%0.1549%0.091CC..Hα-helixtrans-60.2-40.2170.7-67.60000112.1T981 W985 S1032 M1033 L1039 I1040T981-S1036 WeakPolarHBondContact CG2-OG 3.31Å; W985-S1036 PolarHBondContact NE1-OG 3.24Å; W985-S1036 VanDerWaalsContact NE1-OG 3.11Å; S1032-S1036 WeakPolarHBondContact O-CB 3.28Å; S1032-S1036 PolarHBondContact O-N 2.98Å; S1032-S1036 PolarHBondContact O-OG 2.96Å; S1032-S1036 VanDerWaalsContact O-OG 3.11Å; M1033-S1036 PolarHBondContact O-N 2.65Å; S1036-L1039 WeakPolarHBondContact O-CB 3.31Å; S1036-L1039 PolarHBondContact O-N 3.48Å; S1036-I1040 WeakPolarHBondContact O-CG1 3.37Å; S1036-I1040 PolarHBondContact O-N 3.14Å
1037F97.3Very high94.7Very high1 Ų117.9 Ų17.90%0.0049%0.091CC..Hα-helixtrans-70.7-40178.2-74.614.3000112.2F746 M782 L786 L815 V819 M1033 F1034 F1035 I1040 M1041F746-F1037 HydrophobicContact CD1-CD2 4.02Å; F746-F1037 HydrophobicContact CD2-CB 3.76Å; F746-F1037 HydrophobicContact CD2-CD2 4.15Å; F746-F1037 HydrophobicContact CE1-CD2 4.07Å; F746-F1037 HydrophobicContact CE2-CB 3.47Å; F746-F1037 VanDerWaalsContact CE2-CB 3.47Å; F746-F1037 HydrophobicContact CE2-CD2 4.26Å; F746-F1037 HydrophobicContact CE2-CG 4.35Å; F746-F1037 HydrophobicContact CG-CB 4.49Å; F746-F1037 HydrophobicContact CG-CD2 4.05Å; F746-F1037 HydrophobicContact CZ-CB 3.91Å; F746-F1037 HydrophobicContact CZ-CD2 4.2Å; F746-F1037 HydrophobicContact CZ-CG 4.42Å; M782-F1037 HydrophobicContact CB-CD2 4.41Å; M782-F1037 HydrophobicContact CB-CE2 3.86Å; M782-F1037 HydrophobicContact CB-CZ 4.07Å; M782-F1037 HydrophobicContact CE-CD1 3.57Å; M782-F1037 HydrophobicContact CE-CD2 4.19Å; M782-F1037 HydrophobicContact CE-CE1 3.67Å; M782-F1037 HydrophobicContact CE-CE2 4.26Å; M782-F1037 HydrophobicContact CE-CG 3.85Å; M782-F1037 HydrophobicContact CE-CZ 4Å; M782-F1037 WeakPolarHBondContact O-CE2 3.35Å; L786-F1037 HydrophobicContact CB-CE2 3.95Å; L786-F1037 HydrophobicContact CB-CZ 4.47Å; L786-F1037 HydrophobicContact CD2-CD2 4.2Å; L786-F1037 HydrophobicContact CD2-CE2 3.92Å; L786-F1037 HydrophobicContact CG-CE2 4.4Å; L815-F1037 HydrophobicContact CD2-CZ 3.76Å; V819-F1037 HydrophobicContact CG2-CD1 4.47Å; V819-F1037 HydrophobicContact CG2-CE1 3.65Å; V819-F1037 HydrophobicContact CG2-CZ 4.35Å; M1033-F1037 HydrophobicContact CE-CE1 3.71Å; M1033-F1037 HydrophobicContact CE-CZ 3.87Å; M1033-F1037 WeakPolarHBondContact O-CB 3.28Å; M1033-F1037 VanDerWaalsContact O-CD1 3.24Å; M1033-F1037 WeakPolarHBondContact O-CD1 3.42Å; M1033-F1037 VanDerWaalsContact O-CG 3.3Å; M1033-F1037 WeakPolarHBondContact O-CG 3.42Å; M1033-F1037 PolarHBondContact O-N 3.33Å; M1033-F1037 HydrophobicContact SD-CE1 4.35Å; F1034-F1037 PolarHBondContact O-N 3.04Å; F1035-F1037 VanDerWaalsContact C-N 3.31Å; F1035-F1037 PolarHBondContact O-N 3.23Å; F1037-I1040 PolarHBondContact O-N 2.98Å; F1037-M1041 WeakPolarHBondContact O-CB 3.42Å; F1037-M1041 PolarHBondContact O-N 3.45Å
1038M95.6Very high94.2Very high2 Ų220 Ų201%0.0111%0.109CC..Hα-helixtrans-59.9-46169.8-74.7-66.4107.800111.1F746 L749 Y977 F1034 F1035 I1040 M1041 Y1042F746-M1038 HydrophobicContact CD2-CE 3.35Å; F746-M1038 HydrophobicContact CE2-CE 3.55Å; L749-M1038 HydrophobicContact CB-CE 4.32Å; L749-M1038 HydrophobicContact CD1-CE 3.53Å; L749-M1038 HydrophobicContact CD1-SD 3.98Å; Y977-M1038 HydrophobicContact CD1-CB 3.73Å; Y977-M1038 HydrophobicContact CD1-CG 4.43Å; Y977-M1038 HydrophobicContact CD2-CB 4.08Å; Y977-M1038 HydrophobicContact CE1-CB 3.58Å; Y977-M1038 HydrophobicContact CE1-CG 3.84Å; Y977-M1038 HydrophobicContact CE2-CB 3.93Å; Y977-M1038 HydrophobicContact CG-CB 3.99Å; F1034-M1038 HydrophobicContact CD1-CG 4.26Å; F1034-M1038 HydrophobicContact CE1-CG 3.84Å; F1034-M1038 HydrophobicContact CE2-CE 4.18Å; F1034-M1038 HydrophobicContact CZ-CE 4.16Å; F1034-M1038 HydrophobicContact CZ-CG 4Å; F1034-M1038 HydrophobicContact CZ-SD 4.25Å; F1034-M1038 WeakPolarHBondContact O-CG 3.28Å; F1034-M1038 PolarHBondContact O-N 2.83Å; F1035-M1038 PolarHBondContact O-N 2.91Å; M1038-I1040 PolarHBondContact O-N 3.3Å; M1038-M1041 HydrophobicContact CE-SD 4.48Å; M1038-M1041 PolarHBondContact O-N 2.97Å; M1038-M1041 VanDerWaalsContact O-N 3.08Å; M1038-Y1042 VanDerWaalsContact O-CD2 3.3Å; M1038-Y1042 WeakPolarHBondContact O-CD2 3.47Å; M1038-Y1042 PolarHBondContact O-N 3.48Å; M1038-Y1042 HydrophobicContact SD-CD2 4.42Å; M1038-Y1042 HydrophobicContact SD-CE2 3.96Å
1039L95.7Very high93.6Very high23 Ų2326.5 Ų26.512%0.1214%0.135CC..Hα-helixtrans-54.6-52.4176.7174.254.8000111.1I978 F1035 S1036 M1041 Y1042 V1043I978-L1039 HydrophobicContact CD1-CD1 4.24Å; I978-L1039 HydrophobicContact CG1-CD1 3.52Å; I978-L1039 HydrophobicContact CG1-CD2 3.85Å; I978-L1039 HydrophobicContact CG1-CG 4.35Å; F1035-L1039 WeakPolarHBondContact O-CB 3.25Å; F1035-L1039 PolarHBondContact O-N 3.38Å; S1036-L1039 WeakPolarHBondContact O-CB 3.31Å; S1036-L1039 PolarHBondContact O-N 3.48Å; L1039-M1041 PolarHBondContact O-N 3.3Å; L1039-Y1042 CarbonylContact O-C 3.59Å; L1039-Y1042 PolarHBondContact O-N 2.81Å; L1039-Y1042 VanDerWaalsContact O-N 3.11Å; L1039-V1043 HydrophobicContact CD1-CB 4.32Å; L1039-V1043 VanDerWaalsContact O-CB 3.28Å; L1039-V1043 WeakPolarHBondContact O-CB 3.5Å; L1039-V1043 PolarHBondContact O-N 3Å
1040I94.7Very high93Very high23 Ų2331 Ų3112%0.11815%0.152CC..Hα-helixtrans-62.8-29.4179.1-65.3167.8000112F779 V819 K822 I823 S1036 F1037 M1038F779-I1040 HydrophobicContact CE1-CG2 4.07Å; F779-I1040 HydrophobicContact CZ-CG2 4.49Å; V819-I1040 HydrophobicContact CG1-CD1 3.47Å; V819-I1040 VanDerWaalsContact CG1-CD1 3.47Å; K822-I1040 HydrophobicContact CG-CG2 3.73Å; I823-I1040 HydrophobicContact CD1-CD1 4.22Å; I823-I1040 HydrophobicContact CG1-CD1 4.15Å; I823-I1040 HydrophobicContact CG1-CG1 4.43Å; S1036-I1040 WeakPolarHBondContact O-CG1 3.37Å; S1036-I1040 PolarHBondContact O-N 3.14Å; F1037-I1040 PolarHBondContact O-N 2.98Å; M1038-I1040 PolarHBondContact O-N 3.3Å
1041M94Very high92.5Very high6 Ų632.8 Ų32.83%0.0316%0.164CC..Hα-helixtrans-74.8-28.8175.5-171.5177.3-71.200113.9F746 T750 R753 F779 F1037 M1038 L1039F746-M1041 HydrophobicContact CD2-CE 4.49Å; F746-M1041 HydrophobicContact CE1-CE 4.33Å; F746-M1041 HydrophobicContact CE2-CE 3.54Å; F746-M1041 HydrophobicContact CZ-CE 3.47Å; F746-M1041 VanDerWaalsContact CZ-CE 3.47Å; T750-M1041 WeakPolarHBondContact OG1-CE 3.48Å; R753-M1041 VanDerWaalsContact CD-SD 3.59Å; F779-M1041 HydrophobicContact CD1-CE 4.35Å; F779-M1041 HydrophobicContact CE1-CB 4.27Å; F779-M1041 HydrophobicContact CG-CE 4.33Å; F779-M1041 HydrophobicContact CZ-CB 4.2Å; F779-M1041 HydrophobicContact CZ-CG 4.37Å; F1037-M1041 WeakPolarHBondContact O-CB 3.42Å; F1037-M1041 PolarHBondContact O-N 3.45Å; M1038-M1041 HydrophobicContact CE-SD 4.48Å; M1038-M1041 PolarHBondContact O-N 2.97Å; M1038-M1041 VanDerWaalsContact O-N 3.08Å; L1039-M1041 PolarHBondContact O-N 3.3Å
1042Y92.8Very high92Very high39 Ų3933 Ų3315%0.15316%0.163CC..Hα-helixtrans-113-1.7-173.3-74.4-78.6000114.7L973 S974 Y977 M1038 L1039 D1044 D1045L973-Y1042 HydrophobicContact CD2-CD1 3.59Å; L973-Y1042 HydrophobicContact CD2-CE1 3.73Å; L973-Y1042 HydrophobicContact CD2-CG 4.04Å; S974-Y1042 PolarHBondContact OG-O 3.04Å; Y977-Y1042 HydrophobicContact CD2-CD2 4.32Å; Y977-Y1042 AromaticContact CE2-CD2 3.76Å; Y977-Y1042 HydrophobicContact CE2-CD2 3.76Å; Y977-Y1042 HydrophobicContact CE2-CE2 4.27Å; Y977-Y1042 HydrophobicContact CE2-CG 4.3Å; M1038-Y1042 VanDerWaalsContact O-CD2 3.3Å; M1038-Y1042 WeakPolarHBondContact O-CD2 3.47Å; M1038-Y1042 PolarHBondContact O-N 3.48Å; M1038-Y1042 HydrophobicContact SD-CD2 4.42Å; M1038-Y1042 HydrophobicContact SD-CE2 3.96Å; L1039-Y1042 CarbonylContact O-C 3.59Å; L1039-Y1042 PolarHBondContact O-N 2.81Å; L1039-Y1042 VanDerWaalsContact O-N 3.11Å; Y1042-D1044 PolarHBondContact O-N 2.82Å; Y1042-D1045 WeakPolarHBondContact CD1-OD2 3.39Å
1043V93.4Very high91.3Very high17 Ų1737.5 Ų37.510%0.10319%0.187CC..THydrogen-bonded Turntrans-66.4-32.9-173.863.60000113.6Y959 K963 F970 L1039Y959-V1043 HydrophobicContact CE1-CG1 4.17Å; Y959-V1043 HydrophobicContact CE1-CG2 4.34Å; K963-V1043 HydrophobicContact CD-CG2 4.18Å; K963-V1043 WeakPolarHBondContact CE-O 3.36Å; K963-V1043 PolarHBondContact NZ-O 3.48Å; F970-V1043 HydrophobicContact CD1-CG2 4.18Å; F970-V1043 HydrophobicContact CE1-CG2 3.77Å; L1039-V1043 HydrophobicContact CD1-CB 4.32Å; L1039-V1043 VanDerWaalsContact O-CB 3.28Å; L1039-V1043 WeakPolarHBondContact O-CB 3.5Å; L1039-V1043 PolarHBondContact O-N 3Å
1044D91.8Very high90.8Very high15 Ų1541 Ų418%0.0820%0.203CC..THydrogen-bonded Turntrans-107.917.6-176.8-66.9-62.2000114.7I772 T826 R827 Y959 K963 Y1042 D1046 L1047I772-D1044 HydrophobicContact CD1-CB 3.82Å; T826-D1044 VanDerWaalsContact CG2-OD2 3.28Å; T826-D1044 WeakPolarHBondContact CG2-OD2 3.48Å; R827-D1044 IonicContact CZ-OD1 3.73Å; R827-D1044 IonicContact NH2-OD1 3.53Å; R827-D1044 PolarHBondContact NH2-OD1 3.06Å; Y959-D1044 VanDerWaalsContact OH-CG 3.28Å; Y959-D1044 PolarHBondContact OH-OD1 3.03Å; Y959-D1044 PolarHBondContact OH-OD2 3.42Å; K963-D1044 IonicContact NZ-OD1 2.73Å; K963-D1044 PolarHBondContact NZ-OD1 2.89Å; Y1042-D1044 PolarHBondContact O-N 2.82Å; D1044-D1046 PolarHBondContact O-N 3.08Å; D1044-L1047 HydrophobicContact CB-CD1 4.41Å; D1044-L1047 WeakPolarHBondContact O-CB 3.29Å; D1044-L1047 PolarHBondContact O-N 3.47Å
1045D88.9Confident90.3Very high28 Ų2840.7 Ų40.715%0.1520%0.202CC..G310 helixtrans-67.4-16.1-179.7-80.75.5000112.9R753 Q971 Y1042 L1047 S1048R753-D1045 IonicContact CZ-OD1 3.61Å; R753-D1045 IonicContact CZ-OD2 3.51Å; R753-D1045 IonicContact NH1-OD1 3.66Å; R753-D1045 IonicContact NH1-OD2 2.83Å; R753-D1045 PolarHBondContact NH1-OD2 3.42Å; R753-D1045 IonicContact NH2-OD1 2.67Å; R753-D1045 PolarHBondContact NH2-OD1 3.01Å; R753-D1045 IonicContact NH2-OD2 3.25Å; R753-D1045 PolarHBondContact NH2-OD2 2.96Å; Q971-D1045 PolarHBondContact NE2-O 3.38Å; Y1042-D1045 WeakPolarHBondContact CD1-OD2 3.39Å; D1045-L1047 VanDerWaalsContact C-N 3.28Å; D1045-L1047 PolarHBondContact O-N 3.02Å; D1045-S1048 WeakPolarHBondContact O-CB 3.34Å; D1045-S1048 PolarHBondContact O-N 2.9Å; D1045-S1048 PolarHBondContact O-OG 3.38Å
1046D89.1Confident89.8Confident40 Ų4042 Ų4221%0.21421%0.207CC..G310 helixtrans-64.8-29.8169.773.2-50.1000113K963 R969 Q971 D1044K963-D1046 WeakPolarHBondContact CE-OD1 3.43Å; K963-D1046 IonicContact NZ-OD1 2.73Å; K963-D1046 PolarHBondContact NZ-OD1 3.48Å; K963-D1046 IonicContact NZ-OD2 3.5Å; R969-D1046 PolarHBondContact N-OD2 3.48Å; R969-D1046 WeakPolarHBondContact O-CB 3.38Å; Q971-D1046 HydrophobicContact CG-CB 4.14Å; Q971-D1046 VanDerWaalsContact NE2-N 3.19Å; D1044-D1046 PolarHBondContact O-N 3.08Å
1047L88.6Confident89.2Confident1 Ų141.4 Ų41.41%0.00520%0.203CC..G310 helixtrans-83.9-7.9179.7-61.7179.8000113.9G771 I772 R827 E968 D1044 D1045 K1049 R1050 I1055G771-L1047 WeakPolarHBondContact CA-O 3.39Å; I772-L1047 HydrophobicContact CD1-CD1 3.88Å; I772-L1047 HydrophobicContact CG1-CD1 4.27Å; R827-L1047 VanDerWaalsContact NH2-CD1 3.34Å; E968-L1047 HydrophobicContact CG-CD2 4.1Å; E968-L1047 WeakPolarHBondContact OE2-CD1 3.39Å; D1044-L1047 HydrophobicContact CB-CD1 4.41Å; D1044-L1047 WeakPolarHBondContact O-CB 3.29Å; D1044-L1047 PolarHBondContact O-N 3.47Å; D1045-L1047 VanDerWaalsContact C-N 3.28Å; D1045-L1047 PolarHBondContact O-N 3.02Å; L1047-K1049 PolarHBondContact O-N 3.46Å; L1047-R1050 HydrophobicContact CD2-CB 4.5Å; L1047-R1050 WeakPolarHBondContact O-CB 3.34Å; L1047-R1050 PolarHBondContact O-N 3.03Å; L1047-I1055 HydrophobicContact CB-CD1 4.15Å; L1047-I1055 HydrophobicContact CD1-CD1 4.43Å; L1047-I1055 HydrophobicContact CD1-CG2 3.72Å; L1047-I1055 HydrophobicContact CD2-CG1 4.43Å
1048S83.6Confident88.5Confident68 Ų6842 Ų4248%0.47621%0.205SC..G310 helixtrans-53.2-27.9-17457.10000115.2D1045D1045-S1048 WeakPolarHBondContact O-CB 3.34Å; D1045-S1048 PolarHBondContact O-N 2.9Å; D1045-S1048 PolarHBondContact O-OG 3.38Å
1049K82.8Confident88.1Confident180 Ų18044 Ų4478%0.78322%0.215SC*.G310 helixtrans-105.11.4178-60.5-177.8-177.2177.60114.4L770 L1047L770-K1049 VanDerWaalsContact CD2-O 3.31Å; L770-K1049 WeakPolarHBondContact CD2-O 3.37Å; L1047-K1049 PolarHBondContact O-N 3.46Å
1050R85.2Confident87.7Confident94 Ų9445.1 Ų45.136%0.35522%0.22SC..SBendtrans-89.2134.4-177.3-140.8173.4-167.1168.31.1109.2G771 L1047 Q1054 I1055G771-R1050 PolarHBondContact N-O 3.31Å; L1047-R1050 HydrophobicContact CD2-CB 4.5Å; L1047-R1050 WeakPolarHBondContact O-CB 3.34Å; L1047-R1050 PolarHBondContact O-N 3.03Å; R1050-Q1054 HydrophobicContact CG-CB 4.38Å; R1050-I1055 HydrophobicContact CB-CD1 4.39Å; R1050-I1055 HydrophobicContact CB-CG1 4.26Å
1051P85.7Confident87.3Confident39 Ų3946.3 Ų46.325%0.25323%0.226SC..BIsolated β-bridgetrans-69145.8177.331.3-36.5000110.6N1053 Q1054P1051-N1053 WeakPolarHBondContact CB-OD1 3.19Å; P1051-N1053 PolarHBondContact O-N 3.21Å; P1051-N1053 VanDerWaalsContact O-N 3.14Å; P1051-Q1054 HydrophobicContact CG-CB 4.31Å; P1051-Q1054 HydrophobicContact CG-CG 3.94Å; P1051-Q1054 PolarHBondContact O-N 3.37Å
1052R86.9Confident86.9Confident36 Ų3648.7 Ų48.714%0.13624%0.237CC..G310 helixtrans-61.9-24.2-171.2-74.8-178.3-171.6156.517.8115.6V661 S662 S665 Q768 V769 G771 Q1054 I1055V661-R1052 HydrophobicContact CG1-CG 4.27Å; V661-R1052 PolarHBondContact N-O 3Å; S662-R1052 PolarHBondContact N-O 3.38Å; S665-R1052 WeakPolarHBondContact OG-CD 3.48Å; S665-R1052 PolarHBondContact OG-NH1 2.95Å; Q768-R1052 PolarHBondContact O-NH1 3.16Å; Q768-R1052 VanDerWaalsContact O-NH1 3.13Å; Q768-R1052 PolarHBondContact O-NH2 2.97Å; V769-R1052 WeakPolarHBondContact O-CG 3.46Å; V769-R1052 PolarHBondContact O-N 3.4Å; G771-R1052 WeakPolarHBondContact O-CG 3.42Å; G771-R1052 PolarHBondContact O-NE 3.45Å; R1052-Q1054 PolarHBondContact O-N 3.18Å; R1052-I1055 PolarHBondContact O-N 2.99Å
1053N84.2Confident86.6Confident94 Ų9449.3 Ų49.350%0.50324%0.242SC..G310 helixtrans-75.43.217466.9-20.1000113.9Y660 S662 P1051Y660-N1053 WeakPolarHBondContact CD1-O 3.36Å; Y660-N1053 WeakPolarHBondContact CE1-O 3.41Å; S662-N1053 WeakPolarHBondContact OG-CA 3.43Å; P1051-N1053 WeakPolarHBondContact CB-OD1 3.19Å; P1051-N1053 PolarHBondContact O-N 3.21Å; P1051-N1053 VanDerWaalsContact O-N 3.14Å
1054Q84.8Confident86.1Confident102 Ų10251.5 Ų51.548%0.47725%0.252SS..G310 helixtrans-121.16.1173.7-63.8179.6-0.700112.5R1050 P1051 R1052R1050-Q1054 HydrophobicContact CG-CB 4.38Å; P1051-Q1054 HydrophobicContact CG-CB 4.31Å; P1051-Q1054 HydrophobicContact CG-CG 3.94Å; P1051-Q1054 PolarHBondContact O-N 3.37Å; R1052-Q1054 PolarHBondContact O-N 3.18Å
1055I87.5Confident85.7Confident0 Ų054.1 Ų54.10%026%0.264CS..SBendtrans-104.8115.8177.7-55.6174.7000107.8Y660 V661 I772 L1047 R1050 R1052Y660-I1055 CarbonylContact C-O 3.58Å; Y660-I1055 VanDerWaalsContact CA-O 3.32Å; Y660-I1055 WeakPolarHBondContact CA-O 3.24Å; V661-I1055 HydrophobicContact CB-CB 4.21Å; V661-I1055 HydrophobicContact CB-CG2 4.36Å; V661-I1055 HydrophobicContact CG2-CB 3.93Å; V661-I1055 HydrophobicContact CG2-CG2 3.57Å; V661-I1055 PolarHBondContact N-O 3.03Å; I772-I1055 HydrophobicContact CG1-CD1 4.35Å; L1047-I1055 HydrophobicContact CB-CD1 4.15Å; L1047-I1055 HydrophobicContact CD1-CD1 4.43Å; L1047-I1055 HydrophobicContact CD1-CG2 3.72Å; L1047-I1055 HydrophobicContact CD2-CG1 4.43Å; R1050-I1055 HydrophobicContact CB-CD1 4.39Å; R1050-I1055 HydrophobicContact CB-CG1 4.26Å; R1052-I1055 PolarHBondContact O-N 2.99Å
1056F86.1Confident85.5Confident51 Ų5156.1 Ų56.122%0.22427%0.273CS..BIsolated β-bridgetrans-74.2145.8-179.8-64.6-73.3000111.9L658 Y660 R827 H966L658-F1056 HydrophobicContact CB-CE1 4.46Å; L658-F1056 HydrophobicContact CD2-CD1 4.03Å; L658-F1056 HydrophobicContact CD2-CE1 3.42Å; L658-F1056 VanDerWaalsContact CD2-CE1 3.42Å; L658-F1056 HydrophobicContact CD2-CZ 4.2Å; Y660-F1056 HydrophobicContact CD1-CD1 4.03Å; Y660-F1056 HydrophobicContact CD1-CE1 4.13Å; Y660-F1056 AromaticContact CE1-CD1 3.59Å; Y660-F1056 HydrophobicContact CE1-CD1 3.59Å; Y660-F1056 AromaticContact CE1-CE1 3.23Å; Y660-F1056 HydrophobicContact CE1-CE1 3.23Å; Y660-F1056 HydrophobicContact CE1-CG 4.37Å; Y660-F1056 AromaticContact CE1-CZ 3.77Å; Y660-F1056 HydrophobicContact CE1-CZ 3.77Å; Y660-F1056 AromaticContact CZ-CE1 3.5Å; Y660-F1056 VanDerWaalsContact CZ-CE1 3.5Å; Y660-F1056 WeakPolarHBondContact OH-CE1 3.45Å; R827-F1056 PolarHBondContact NH1-O 3.34Å; H966-F1056 HydrophobicContact CB-CD2 4.4Å; H966-F1056 AromaticContact CD2-CD2 3.52Å; H966-F1056 AromaticContact CD2-CG 3.67Å
1057V84Confident85.2Confident10 Ų1057.4 Ų57.46%0.06128%0.278CS..  trans-101.5128.1170.7-178.90000108.6L659 Y660 V661 L664 R827 H828 M882 R914L659-V1057 HydrophobicContact CB-CB 4.46Å; L659-V1057 HydrophobicContact CD2-CB 4.45Å; L659-V1057 PolarHBondContact O-N 2.65Å; Y660-V1057 VanDerWaalsContact C-CG2 3.48Å; V661-V1057 HydrophobicContact CB-CG2 4.4Å; V661-V1057 HydrophobicContact CG2-CG2 3.75Å; L664-V1057 HydrophobicContact CD1-CG1 3.92Å; L664-V1057 HydrophobicContact CD1-CG2 4.24Å; R827-V1057 HydrophobicContact CB-CG1 4.31Å; H828-V1057 VanDerWaalsContact NE2-CG1 3.32Å; H828-V1057 WeakPolarHBondContact NE2-CG1 3.48Å; M882-V1057 HydrophobicContact CE-CB 4.45Å; M882-V1057 HydrophobicContact CE-CG1 3.42Å; M882-V1057 VanDerWaalsContact CE-CG1 3.42Å; R914-V1057 PolarHBondContact NH2-O 3.09Å
1058F82.7Confident84.9Confident14 Ų1462.5 Ų62.56%0.06130%0.302CS..  trans-1330-178.947.4-107.2000111.9R827 H828 R914 F958 Y959 M962R827-F1058 HydrophobicContact CG-CE2 4.24Å; R827-F1058 HydrophobicContact CG-CZ 4.28Å; H828-F1058 PolarHBondContact CE1-O 3.34Å; R914-F1058 WeakPolarHBondContact CD-OXT 3.41Å; R914-F1058 WeakPolarHBondContact CG-OXT 2.99Å; R914-F1058 PolarHBondContact NE-OXT 3.46Å; F958-F1058 HydrophobicContact CE1-CD2 4.26Å; Y959-F1058 AromaticContact CD2-CE2 3.63Å; Y959-F1058 HydrophobicContact CD2-CE2 3.63Å; Y959-F1058 HydrophobicContact CD2-CZ 4.29Å; Y959-F1058 AromaticContact CE2-CE2 3.67Å; Y959-F1058 HydrophobicContact CE2-CE2 3.67Å; Y959-F1058 HydrophobicContact CE2-CZ 4.01Å; Y959-F1058 HydrophobicContact CG-CE2 4.25Å; M962-F1058 HydrophobicContact CB-CB 4.37Å; M962-F1058 HydrophobicContact CB-CD1 3.98Å; M962-F1058 HydrophobicContact CB-CD2 3.52Å; M962-F1058 HydrophobicContact CB-CE1 4.04Å; M962-F1058 HydrophobicContact CB-CE2 3.59Å; M962-F1058 HydrophobicContact CB-CG 3.72Å; M962-F1058 HydrophobicContact CB-CZ 3.86Å; M962-F1058 HydrophobicContact CE-CB 3.32Å; M962-F1058 HydrophobicContact CE-CG 3.99Å; M962-F1058 HydrophobicContact CG-CB 4.4Å; M962-F1058 HydrophobicContact CG-CD2 3.96Å; M962-F1058 HydrophobicContact CG-CE2 4.41Å; M962-F1058 HydrophobicContact CG-CG 4.2Å

Retrieved 1,058 of 1,058 residues in 926 ms (Link to these results)

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