A0A087XPW5_POEFO Loading...

Osteoclast stimulatory transmembrane protein

AlphaFold DB , UniProt , Accession A0A087XPW5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 440 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
1M68.8Low86.1Confident212 Ų212116.5 Ų116.5100%1.04460%0.602SS**  0-41.30-156144.994.100113.6K5M1-K5 PolarHBondContact O-N 3.46Å
2Q81.3Confident86.7Confident173 Ų173114.7 Ų114.781%0.80858%0.582SS**Hα-helixtrans-69.1-40.8-177.3-166148.6-22.100114.6L4 K5 S6Q2-L4 PolarHBondContact O-N 3.05Å; Q2-K5 PolarHBondContact O-N 3.12Å; Q2-S6 PolarHBondContact O-N 3.33Å
3A82.2Confident87.2Confident82 Ų82110.2 Ų110.268%0.67856%0.56SS**Hα-helixtrans-61-43.6175.300000112.6K5 S6 L7A3-K5 PolarHBondContact O-N 3.09Å; A3-S6 PolarHBondContact O-N 3.19Å; A3-L7 WeakPolarHBondContact O-CB 3.49Å; A3-L7 PolarHBondContact O-N 2.98Å
4L85.5Confident87.7Confident109 Ų109102.3 Ų102.357%0.57152%0.52SS*.Hα-helixtrans-61.3-43176-177.965.6000112Q2 L7 L8Q2-L4 PolarHBondContact O-N 3.05Å; L4-L7 PolarHBondContact O-N 3.01Å; L4-L8 HydrophobicContact CG-CD1 4.21Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.31Å
5K87.6Confident88.1Confident131 Ų13196.3 Ų96.357%0.5749%0.489SS*.Hα-helixtrans-62.4-44.1176.7-175.9174.9177.8-179.80111.4M1 Q2 A3 L8 F9M1-K5 PolarHBondContact O-N 3.46Å; Q2-K5 PolarHBondContact O-N 3.12Å; A3-K5 PolarHBondContact O-N 3.09Å; K5-L8 PolarHBondContact O-N 3Å; K5-F9 HydrophobicContact CD-CE2 4.23Å; K5-F9 HydrophobicContact CG-CD2 3.91Å; K5-F9 HydrophobicContact CG-CE2 3.6Å; K5-F9 WeakPolarHBondContact O-CD2 3.3Å; K5-F9 PolarHBondContact O-N 3Å; K5-F9 VanDerWaalsContact O-N 3.09Å
6S88.4Confident88.5Confident82 Ų8290.4 Ų90.457%0.57346%0.459SS*.Hα-helixtrans-62.1-43.8177-167.60000112.1Q2 A3 F9 Y10Q2-S6 PolarHBondContact O-N 3.33Å; A3-S6 PolarHBondContact O-N 3.19Å; S6-F9 PolarHBondContact O-N 3.35Å; S6-Y10 PolarHBondContact O-N 3.47Å
7L89.2Confident88.7Confident102 Ų10288.6 Ų88.653%0.53445%0.447SS..Hα-helixtrans-62.1-45.3177.1-17866.2000111.6A3 L4 F9 Y10 V11A3-L7 WeakPolarHBondContact O-CB 3.49Å; A3-L7 PolarHBondContact O-N 2.98Å; L4-L7 PolarHBondContact O-N 3.01Å; L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 3.46Å; L7-Y10 PolarHBondContact O-N 2.95Å; L7-V11 HydrophobicContact CD1-CG2 4.28Å; L7-V11 HydrophobicContact CG-CG2 4.39Å; L7-V11 WeakPolarHBondContact O-CB 3.43Å; L7-V11 VanDerWaalsContact O-CG2 3.29Å; L7-V11 WeakPolarHBondContact O-CG2 3.34Å; L7-V11 PolarHBondContact O-N 3.06Å
8L89.1Confident88.7Confident106 Ų10688.5 Ų88.556%0.55545%0.453SS*.Hα-helixtrans-60.1-41.7177.4-78165.8000112.4L4 K5 W12L4-L8 HydrophobicContact CG-CD1 4.21Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.31Å; K5-L8 PolarHBondContact O-N 3Å; L8-W12 VanDerWaalsContact O-CB 3.27Å; L8-W12 WeakPolarHBondContact O-CB 3.45Å; L8-W12 PolarHBondContact O-N 3.08Å
9F90.5Very high88.7Confident132 Ų13287.8 Ų87.858%0.57946%0.462SS*.Hα-helixtrans-65-43.7175.6-81.7-63.1000112.2K5 S6 L7 W12 D13K5-F9 HydrophobicContact CD-CE2 4.23Å; K5-F9 HydrophobicContact CG-CD2 3.91Å; K5-F9 HydrophobicContact CG-CE2 3.6Å; K5-F9 WeakPolarHBondContact O-CD2 3.3Å; K5-F9 PolarHBondContact O-N 3Å; K5-F9 VanDerWaalsContact O-N 3.09Å; S6-F9 PolarHBondContact O-N 3.35Å; L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 3.46Å; F9-W12 PolarHBondContact O-N 3.06Å; F9-D13 VanDerWaalsContact O-CB 3.32Å; F9-D13 WeakPolarHBondContact O-CB 3.5Å; F9-D13 PolarHBondContact O-N 2.93Å
10Y91.9Very high88.5Confident100 Ų10084.8 Ų84.839%0.39245%0.448SS..Hα-helixtrans-60.7-49177174.8-103000111.8S6 L7 W12 D13 V14S6-Y10 PolarHBondContact O-N 3.47Å; L7-Y10 PolarHBondContact O-N 2.95Å; Y10-W12 VanDerWaalsContact C-N 3.34Å; Y10-W12 PolarHBondContact O-N 2.91Å; Y10-D13 PolarHBondContact O-N 3.31Å; Y10-V14 HydrophobicContact CD2-CG2 4.32Å; Y10-V14 HydrophobicContact CE1-CG2 4.14Å; Y10-V14 HydrophobicContact CE2-CG2 3.86Å; Y10-V14 WeakPolarHBondContact O-CG2 3.36Å; Y10-V14 PolarHBondContact O-N 2.93Å
11V92.8Very high88.6Confident52 Ų5284.4 Ų84.432%0.31545%0.452SS..Hα-helixtrans-59.9-43.8178168.10000111.2L7 Y15 I31L7-V11 HydrophobicContact CD1-CG2 4.28Å; L7-V11 HydrophobicContact CG-CG2 4.39Å; L7-V11 WeakPolarHBondContact O-CB 3.43Å; L7-V11 VanDerWaalsContact O-CG2 3.29Å; L7-V11 WeakPolarHBondContact O-CG2 3.34Å; L7-V11 PolarHBondContact O-N 3.06Å; V11-Y15 WeakPolarHBondContact O-CB 3.46Å; V11-Y15 PolarHBondContact O-N 3.26Å; V11-I31 HydrophobicContact CB-CD1 4.42Å; V11-I31 HydrophobicContact CG1-CD1 3.64Å; V11-I31 HydrophobicContact CG1-CG1 3.97Å
12W93.7Very high89.6Confident95 Ų9577.2 Ų77.236%0.3643%0.432SS..Hα-helixtrans-64.9-41.5177.2-177.7-101.7000112.8L8 F9 Y10 Y15 S16 T84 I403 S406 F407L8-W12 VanDerWaalsContact O-CB 3.27Å; L8-W12 WeakPolarHBondContact O-CB 3.45Å; L8-W12 PolarHBondContact O-N 3.08Å; F9-W12 PolarHBondContact O-N 3.06Å; Y10-W12 VanDerWaalsContact C-N 3.34Å; Y10-W12 PolarHBondContact O-N 2.91Å; W12-Y15 PolarHBondContact O-N 3.42Å; W12-S16 WeakPolarHBondContact O-CB 3.43Å; W12-S16 PolarHBondContact O-N 2.98Å; W12-S16 PolarHBondContact O-OG 3.43Å; W12-T84 HydrophobicContact CH2-CG2 3.91Å; W12-T84 HydrophobicContact CZ3-CG2 4.07Å; W12-I403 HydrophobicContact CH2-CG1 4Å; W12-I403 HydrophobicContact CH2-CG2 4.45Å; W12-I403 HydrophobicContact CZ2-CG1 4.26Å; W12-S406 PolarHBondContact NE1-OG 3.4Å; W12-F407 HydrophobicContact CH2-CE2 4.42Å
13D92.5Very high89.9Confident56 Ų5673.3 Ų73.330%0.29943%0.425SS..Hα-helixtrans-62.8-50.9178.4-17176.3000111F9 Y10 Y15 S16 K17 R409F9-D13 VanDerWaalsContact O-CB 3.32Å; F9-D13 WeakPolarHBondContact O-CB 3.5Å; F9-D13 PolarHBondContact O-N 2.93Å; Y10-D13 PolarHBondContact O-N 3.31Å; D13-Y15 VanDerWaalsContact C-N 3.31Å; D13-Y15 PolarHBondContact O-N 3.34Å; D13-S16 PolarHBondContact O-N 3.06Å; D13-S16 PolarHBondContact O-OG 3.31Å; D13-K17 WeakPolarHBondContact O-CB 3.42Å; D13-K17 PolarHBondContact O-N 3Å; D13-K17 VanDerWaalsContact O-N 3.1Å; D13-R409 IonicContact OD1-CZ 2.76Å; D13-R409 IonicContact OD1-NH1 3.02Å; D13-R409 IonicContact OD1-NH2 3.26Å; D13-R409 PolarHBondContact OD1-NH2 3.49Å
14V94.1Very high90.4Very high0 Ų071 Ų710%040%0.4CS..Hα-helixtrans-58.5-44.1176.1172.10000111.2Y10 S16 K17 E24 L28Y10-V14 HydrophobicContact CD2-CG2 4.32Å; Y10-V14 HydrophobicContact CE1-CG2 4.14Å; Y10-V14 HydrophobicContact CE2-CG2 3.86Å; Y10-V14 WeakPolarHBondContact O-CG2 3.36Å; Y10-V14 PolarHBondContact O-N 2.93Å; V14-S16 PolarHBondContact O-N 3.02Å; V14-K17 PolarHBondContact O-N 3.48Å; V14-E24 HydrophobicContact CG1-CB 4.17Å; V14-E24 WeakPolarHBondContact CG1-O 3.44Å; V14-E24 HydrophobicContact CG2-CB 4.36Å; V14-E24 HydrophobicContact CG2-CG 4.16Å; V14-L28 HydrophobicContact CG1-CB 4.17Å
15Y94Very high90.8Very high13 Ų1369.4 Ų69.45%0.05139%0.391CS..Hα-helixtrans-65.6-36.1-178-177-113.4000113.5V11 W12 D13 L28 I31 R80 T84 F407V11-Y15 WeakPolarHBondContact O-CB 3.46Å; V11-Y15 PolarHBondContact O-N 3.26Å; W12-Y15 PolarHBondContact O-N 3.42Å; D13-Y15 VanDerWaalsContact C-N 3.31Å; D13-Y15 PolarHBondContact O-N 3.34Å; Y15-L28 HydrophobicContact CD2-CD1 3.87Å; Y15-I31 HydrophobicContact CD2-CB 4.44Å; Y15-I31 HydrophobicContact CD2-CG2 3.56Å; Y15-I31 HydrophobicContact CE2-CG2 4.03Å; Y15-I31 HydrophobicContact CG-CG2 4.18Å; Y15-R80 HydrophobicContact CE2-CG 4.41Å; Y15-R80 PolarHBondContact O-NH1 3.34Å; Y15-T84 HydrophobicContact CE1-CG2 4.46Å; Y15-T84 VanDerWaalsContact CE1-OG1 3.24Å; Y15-T84 WeakPolarHBondContact CE1-OG1 3.44Å; Y15-T84 PolarHBondContact OH-OG1 3.39Å; Y15-F407 HydrophobicContact CD1-CE2 4.39Å; Y15-F407 AromaticContact CD1-CZ 3.78Å; Y15-F407 HydrophobicContact CD1-CZ 3.78Å; Y15-F407 HydrophobicContact CE1-CE2 4.38Å; Y15-F407 AromaticContact CE1-CZ 3.64Å; Y15-F407 HydrophobicContact CE1-CZ 3.64Å
16S93.8Very high91.1Very high1 Ų169.2 Ų69.21%0.00740%0.395CS..Hα-helixtrans-86.6-13-17856.90000114.3W12 D13 V14 H77 F407W12-S16 WeakPolarHBondContact O-CB 3.43Å; W12-S16 PolarHBondContact O-N 2.98Å; W12-S16 PolarHBondContact O-OG 3.43Å; D13-S16 PolarHBondContact O-N 3.06Å; D13-S16 PolarHBondContact O-OG 3.31Å; V14-S16 PolarHBondContact O-N 3.02Å; S16-H77 PolarHBondContact O-NE2 3.15Å; S16-F407 WeakPolarHBondContact O-CA 3.46Å
17K92.1Very high91.3Very high60 Ų6067 Ų6726%0.26138%0.38SS..  trans-69.7135.4-179.8-163.1173.2178.9-175.50112.1D13 V14 E24 H77 R80D13-K17 WeakPolarHBondContact O-CB 3.42Å; D13-K17 PolarHBondContact O-N 3Å; D13-K17 VanDerWaalsContact O-N 3.1Å; V14-K17 PolarHBondContact O-N 3.48Å; K17-E24 VanDerWaalsContact NZ-CD 3.3Å; K17-E24 IonicContact NZ-OE1 2.63Å; K17-E24 PolarHBondContact NZ-OE1 2.87Å; K17-E24 IonicContact NZ-OE2 3.94Å; K17-E24 PolarHBondContact NZ-OE2 2.89Å; K17-H77 PolarHBondContact O-CD2 3.35Å; K17-R80 PolarHBondContact O-NH1 3.27Å; K17-R80 VanDerWaalsContact O-NH1 3.1Å
18P89.8Confident91.5Very high87 Ų8762.2 Ų62.257%0.56536%0.355SS*.SBendtrans-69.7-44.818025-32.1000113H77P18-H77 WeakPolarHBondContact CA-CD2 3.5Å
19A87.6Confident91.8Very high75 Ų7560.3 Ų60.362%0.6235%0.345SS*.SBendtrans-123.589.5179.200000110
20P86Confident92Very high28 Ų2857.4 Ų57.418%0.18234%0.341CS..  trans-71.5148.9171.131.6-35.5000110.6E24 I25 L28P20-E24 WeakPolarHBondContact CA-OE2 3.3Å; P20-E24 HydrophobicContact CB-CB 3.85Å; P20-I25 HydrophobicContact CB-CG1 4.45Å; P20-I25 HydrophobicContact CG-CG1 4.37Å; P20-L28 HydrophobicContact CG-CD2 3.76Å
21S89.7Confident92.1Very high76 Ų7653.5 Ų53.553%0.53133%0.327SS..  trans-132.4144.5-17757.80000112.4S23 E24S21-S23 PolarHBondContact O-N 3.41Å; S21-E24 PolarHBondContact N-OE2 3.36Å; S21-E24 VanDerWaalsContact N-OE2 3.07Å; S21-E24 WeakPolarHBondContact O-CB 3.42Å; S21-E24 PolarHBondContact O-N 2.91Å
22G90.9Very high92.2Very high61 Ų6151 Ų5163%0.62931%0.312SS*.THydrogen-bonded Turntrans65.4-129.3175.700000112.9E24 I25G22-E24 PolarHBondContact O-N 3.01Å; G22-I25 PolarHBondContact O-N 3.39Å
23S87.4Confident92.3Very high92 Ų9248.3 Ų48.364%0.64331%0.307SS*.Hα-helixtrans-63.3-22-179.254.40000113.8S21 I25 L26 S27S21-S23 PolarHBondContact O-N 3.41Å; S23-I25 PolarHBondContact O-N 3.44Å; S23-L26 PolarHBondContact O-N 3.17Å; S23-S27 PolarHBondContact O-N 3.29Å
24E92.7Very high92.4Very high33 Ų3349.7 Ų49.715%0.15432%0.318CS..Hα-helixtrans-62.5-28.2176.3-61.8177.9162.600112.4V14 K17 P20 S21 G22 L26 S27 L28V14-E24 HydrophobicContact CG1-CB 4.17Å; V14-E24 WeakPolarHBondContact CG1-O 3.44Å; V14-E24 HydrophobicContact CG2-CB 4.36Å; V14-E24 HydrophobicContact CG2-CG 4.16Å; K17-E24 VanDerWaalsContact NZ-CD 3.3Å; K17-E24 IonicContact NZ-OE1 2.63Å; K17-E24 PolarHBondContact NZ-OE1 2.87Å; K17-E24 IonicContact NZ-OE2 3.94Å; K17-E24 PolarHBondContact NZ-OE2 2.89Å; P20-E24 WeakPolarHBondContact CA-OE2 3.3Å; P20-E24 HydrophobicContact CB-CB 3.85Å; S21-E24 PolarHBondContact N-OE2 3.36Å; S21-E24 VanDerWaalsContact N-OE2 3.07Å; S21-E24 WeakPolarHBondContact O-CB 3.42Å; S21-E24 PolarHBondContact O-N 2.91Å; G22-E24 PolarHBondContact O-N 3.01Å; E24-L26 VanDerWaalsContact C-N 3.34Å; E24-S27 PolarHBondContact O-N 3.39Å; E24-L28 WeakPolarHBondContact O-CB 3.46Å; E24-L28 PolarHBondContact O-N 3.04Å
25I93.7Very high92.3Very high75 Ų7554.7 Ų54.739%0.38534%0.34SS..Hα-helixtrans-64.7-42.1178.6-62.1174000110.3P20 G22 S23 L28 L29 F74P20-I25 HydrophobicContact CB-CG1 4.45Å; P20-I25 HydrophobicContact CG-CG1 4.37Å; G22-I25 PolarHBondContact O-N 3.39Å; S23-I25 PolarHBondContact O-N 3.44Å; I25-L28 PolarHBondContact O-N 3.5Å; I25-L29 WeakPolarHBondContact O-CB 3.49Å; I25-L29 PolarHBondContact O-N 3.03Å; I25-F74 HydrophobicContact CG2-CE2 4.26Å; I25-F74 HydrophobicContact CG2-CZ 4Å
26L92.7Very high92.4Very high127 Ų12754.2 Ų54.267%0.66534%0.339SS*.Hα-helixtrans-66.2-41.1178.1-175.165.2000110.9S23 E24 L29 S30S23-L26 PolarHBondContact O-N 3.17Å; E24-L26 VanDerWaalsContact C-N 3.34Å; L26-L29 PolarHBondContact O-N 3.03Å; L26-S30 WeakPolarHBondContact O-CB 3.43Å; L26-S30 PolarHBondContact O-N 3.18Å
27S92.8Very high92.5Very high36 Ų3659.3 Ų59.325%0.25237%0.37SS..Hα-helixtrans-62.8-44.9174-59.90000111.8S23 E24 L29 S30 I31S23-S27 PolarHBondContact O-N 3.29Å; E24-S27 PolarHBondContact O-N 3.39Å; S27-L29 PolarHBondContact O-N 3.45Å; S27-S30 WeakPolarHBondContact O-CB 3.34Å; S27-S30 PolarHBondContact O-N 2.99Å; S27-I31 WeakPolarHBondContact O-CD1 3.39Å; S27-I31 WeakPolarHBondContact O-CG1 3.25Å; S27-I31 PolarHBondContact O-N 3.08Å
28L94.8Very high92.7Very high2 Ų263 Ų631%0.0139%0.386CS..Hα-helixtrans-60.9-45.4175.5179.263.8000111.5V14 Y15 P20 E24 I25 S30 I31 C32 F74V14-L28 HydrophobicContact CG1-CB 4.17Å; Y15-L28 HydrophobicContact CD2-CD1 3.87Å; P20-L28 HydrophobicContact CG-CD2 3.76Å; E24-L28 WeakPolarHBondContact O-CB 3.46Å; E24-L28 PolarHBondContact O-N 3.04Å; I25-L28 PolarHBondContact O-N 3.5Å; L28-S30 VanDerWaalsContact C-N 3.31Å; L28-S30 PolarHBondContact O-N 2.94Å; L28-I31 PolarHBondContact O-N 3.01Å; L28-C32 WeakPolarHBondContact O-CB 3.4Å; L28-C32 PolarHBondContact O-N 3.04Å; L28-C32 PolarHBondContact O-SG 2.75Å; L28-F74 HydrophobicContact CD2-CD2 4.18Å; L28-F74 HydrophobicContact CD2-CE2 4.3Å; L28-F74 HydrophobicContact CG-CD2 4.15Å; L28-F74 HydrophobicContact CG-CE2 4.39Å
29L94.9Very high92.8Very high66 Ų6660.5 Ų60.535%0.34637%0.369SS..Hα-helixtrans-59.2-43.5177.6-178.763.1000111.4I25 L26 S27 S33 L70 F74I25-L29 WeakPolarHBondContact O-CB 3.49Å; I25-L29 PolarHBondContact O-N 3.03Å; L26-L29 PolarHBondContact O-N 3.03Å; S27-L29 PolarHBondContact O-N 3.45Å; L29-S33 VanDerWaalsContact O-CB 3.26Å; L29-S33 WeakPolarHBondContact O-CB 3.48Å; L29-S33 PolarHBondContact O-N 2.92Å; L29-S33 PolarHBondContact O-OG 3.47Å; L29-L70 HydrophobicContact CD1-CD1 4.29Å; L29-F74 HydrophobicContact CB-CD2 4.34Å; L29-F74 HydrophobicContact CB-CE2 3.97Å; L29-F74 HydrophobicContact CD1-CD2 4.13Å; L29-F74 HydrophobicContact CD1-CE2 4.22Å
30S94.8Very high93.2Very high70 Ų7057 Ų5749%0.4934%0.341SS..Hα-helixtrans-61-46.9175.2-178.20000111.7L26 S27 L28 S33 T34L26-S30 WeakPolarHBondContact O-CB 3.43Å; L26-S30 PolarHBondContact O-N 3.18Å; S27-S30 WeakPolarHBondContact O-CB 3.34Å; S27-S30 PolarHBondContact O-N 2.99Å; L28-S30 VanDerWaalsContact C-N 3.31Å; L28-S30 PolarHBondContact O-N 2.94Å; S30-S33 PolarHBondContact O-N 3.41Å; S30-T34 WeakPolarHBondContact O-CG2 3.4Å; S30-T34 PolarHBondContact O-N 3.45Å; S30-T34 PolarHBondContact O-OG1 3.21Å
31I93.6Very high93.6Very high18 Ų1857.7 Ų57.79%0.09235%0.353CS..Hα-helixtrans-62.2-49.4178.6-63.9158000110.8V11 Y15 S27 L28 S33 T34 F35V11-I31 HydrophobicContact CB-CD1 4.42Å; V11-I31 HydrophobicContact CG1-CD1 3.64Å; V11-I31 HydrophobicContact CG1-CG1 3.97Å; Y15-I31 HydrophobicContact CD2-CB 4.44Å; Y15-I31 HydrophobicContact CD2-CG2 3.56Å; Y15-I31 HydrophobicContact CE2-CG2 4.03Å; Y15-I31 HydrophobicContact CG-CG2 4.18Å; S27-I31 WeakPolarHBondContact O-CD1 3.39Å; S27-I31 WeakPolarHBondContact O-CG1 3.25Å; S27-I31 PolarHBondContact O-N 3.08Å; L28-I31 PolarHBondContact O-N 3.01Å; I31-S33 VanDerWaalsContact C-N 3.3Å; I31-S33 PolarHBondContact O-N 2.93Å; I31-T34 PolarHBondContact O-N 3.17Å; I31-T34 PolarHBondContact O-OG1 3.24Å; I31-F35 HydrophobicContact CG2-CD2 3.74Å; I31-F35 HydrophobicContact CG2-CE2 3.63Å; I31-F35 VanDerWaalsContact O-CD2 3.26Å; I31-F35 WeakPolarHBondContact O-CD2 3.37Å; I31-F35 PolarHBondContact O-N 3.19Å; I31-F35 VanDerWaalsContact O-N 3.08Å
32C95.3Very high93.7Very high1 Ų158.7 Ų58.71%0.00735%0.351CS..Hα-helixtrans-62.9-37.2178.2-69.60000112.1L28 F35 A36 L70L28-C32 WeakPolarHBondContact O-CB 3.4Å; L28-C32 PolarHBondContact O-N 3.04Å; L28-C32 PolarHBondContact O-SG 2.75Å; C32-F35 PolarHBondContact O-N 3.35Å; C32-A36 VanDerWaalsContact O-CB 3.3Å; C32-A36 WeakPolarHBondContact O-CB 3.38Å; C32-A36 PolarHBondContact O-N 3.24Å; C32-L70 HydrophobicContact CB-CD1 3.82Å
33S95.8Very high93.8Very high38 Ų3857.3 Ų57.327%0.26633%0.33SS..Hα-helixtrans-65.7-44.4177.1-59.60000112L29 S30 I31 F35 A36 V37L29-S33 VanDerWaalsContact O-CB 3.26Å; L29-S33 WeakPolarHBondContact O-CB 3.48Å; L29-S33 PolarHBondContact O-N 2.92Å; L29-S33 PolarHBondContact O-OG 3.47Å; S30-S33 PolarHBondContact O-N 3.41Å; I31-S33 VanDerWaalsContact C-N 3.3Å; I31-S33 PolarHBondContact O-N 2.93Å; S33-F35 PolarHBondContact O-N 2.83Å; S33-A36 PolarHBondContact O-N 3.19Å; S33-V37 WeakPolarHBondContact O-CG2 3.36Å; S33-V37 PolarHBondContact O-N 3.39Å
34T94.7Very high94.1Very high84 Ų8455.4 Ų55.452%0.51531%0.31SS..Hα-helixtrans-62.8-43.3177.353.40000111.8S30 I31 F38S30-T34 WeakPolarHBondContact O-CG2 3.4Å; S30-T34 PolarHBondContact O-N 3.45Å; S30-T34 PolarHBondContact O-OG1 3.21Å; I31-T34 PolarHBondContact O-N 3.17Å; I31-T34 PolarHBondContact O-OG1 3.24Å; T34-F38 VanDerWaalsContact O-CB 3.25Å; T34-F38 WeakPolarHBondContact O-CB 3.46Å; T34-F38 PolarHBondContact O-N 3.28Å
35F92.1Very high94Very high105 Ų10559.2 Ų59.246%0.46133%0.328SS..Hα-helixtrans-62.3-42.8173.8-82.6-62.8000112.7I31 C32 S33 F38 T39I31-F35 HydrophobicContact CG2-CD2 3.74Å; I31-F35 HydrophobicContact CG2-CE2 3.63Å; I31-F35 VanDerWaalsContact O-CD2 3.26Å; I31-F35 WeakPolarHBondContact O-CD2 3.37Å; I31-F35 PolarHBondContact O-N 3.19Å; I31-F35 VanDerWaalsContact O-N 3.08Å; C32-F35 PolarHBondContact O-N 3.35Å; S33-F35 PolarHBondContact O-N 2.83Å; F35-F38 PolarHBondContact O-N 2.88Å; F35-T39 WeakPolarHBondContact O-CB 3.27Å; F35-T39 WeakPolarHBondContact O-CG2 3.44Å; F35-T39 PolarHBondContact O-N 3.24Å; F35-T39 PolarHBondContact O-OG1 3.39Å
36A96Very high93.7Very high4 Ų459 Ų593%0.03332%0.322CS..Hα-helixtrans-63.5-46.717900000112.2C32 S33 T39 G40 S66 M69 L70C32-A36 VanDerWaalsContact O-CB 3.3Å; C32-A36 WeakPolarHBondContact O-CB 3.38Å; C32-A36 PolarHBondContact O-N 3.24Å; S33-A36 PolarHBondContact O-N 3.19Å; A36-T39 PolarHBondContact O-OG1 2.74Å; A36-G40 PolarHBondContact O-N 3.34Å; A36-S66 WeakPolarHBondContact CB-O 3.4Å; A36-M69 HydrophobicContact CB-CB 4.37Å; A36-L70 HydrophobicContact CB-CB 3.89Å
37V96.1Very high93.5Very high108 Ų10853.8 Ų53.866%0.65530%0.295SS*.Hα-helixtrans-63.9-45.1177.6171.80000110.9S33 G40 G41S33-V37 WeakPolarHBondContact O-CG2 3.36Å; S33-V37 PolarHBondContact O-N 3.39Å; V37-G40 PolarHBondContact O-N 3.35Å; V37-G41 PolarHBondContact O-N 2.91Å
38F94.8Very high93.4Very high137 Ų13753.5 Ų53.560%0.60129%0.293SS*.Hα-helixtrans-63-49.9-179.7-179.1-103.1000111.9T34 F35 G40 G41 L42T34-F38 VanDerWaalsContact O-CB 3.25Å; T34-F38 WeakPolarHBondContact O-CB 3.46Å; T34-F38 PolarHBondContact O-N 3.28Å; F35-F38 PolarHBondContact O-N 2.88Å; F38-G40 VanDerWaalsContact C-N 3.35Å; F38-G40 PolarHBondContact O-N 3.43Å; F38-G41 PolarHBondContact O-N 3.45Å; F38-L42 HydrophobicContact CD1-CD1 3.96Å; F38-L42 HydrophobicContact CE1-CD1 3.47Å; F38-L42 VanDerWaalsContact CE1-CD1 3.47Å; F38-L42 HydrophobicContact CE1-CG 4.37Å; F38-L42 HydrophobicContact CZ-CD1 3.84Å; F38-L42 HydrophobicContact CZ-CG 4.42Å; F38-L42 WeakPolarHBondContact O-CG 3.43Å; F38-L42 PolarHBondContact O-N 3.25Å
39T92.8Very high92.9Very high34 Ų3459.4 Ų59.421%0.20932%0.321CS..Hα-helixtrans-68.2-34.8179.553.90000112.2F35 A36 L42 L43F35-T39 WeakPolarHBondContact O-CB 3.27Å; F35-T39 WeakPolarHBondContact O-CG2 3.44Å; F35-T39 PolarHBondContact O-N 3.24Å; F35-T39 PolarHBondContact O-OG1 3.39Å; A36-T39 PolarHBondContact O-OG1 2.74Å; T39-L42 PolarHBondContact O-N 3.06Å; T39-L43 WeakPolarHBondContact O-CB 3.44Å; T39-L43 PolarHBondContact O-N 3.07Å
40G95.4Very high92.1Very high3 Ų360.2 Ų60.23%0.03133%0.328CS..Hα-helixtrans-62.9-44.8172.100000113.6A36 V37 F38 L42 L43 H44 S66A36-G40 PolarHBondContact O-N 3.34Å; V37-G40 PolarHBondContact O-N 3.35Å; F38-G40 VanDerWaalsContact C-N 3.35Å; F38-G40 PolarHBondContact O-N 3.43Å; G40-L42 VanDerWaalsContact C-N 3.34Å; G40-L42 PolarHBondContact O-N 3.45Å; G40-L43 PolarHBondContact O-N 3.34Å; G40-H44 PolarHBondContact O-N 2.93Å; G40-S66 VanDerWaalsContact CA-OG 3.28Å; G40-S66 WeakPolarHBondContact CA-OG 3.48Å
41G94.9Very high91.4Very high42 Ų4257.4 Ų57.443%0.43331%0.308SS..Hα-helixtrans-61.6-42174.900000112.4V37 F38 H44 H45V37-G41 PolarHBondContact O-N 2.91Å; F38-G41 PolarHBondContact O-N 3.45Å; G41-H44 PolarHBondContact O-N 3.47Å; G41-H45 WeakPolarHBondContact O-CB 3.41Å; G41-H45 PolarHBondContact O-N 3.25Å
42L92.1Very high90.9Very high96 Ų9663.8 Ų63.850%0.50334%0.335SS..Hα-helixtrans-61.5-43.7173.3-72.1175.5000111.9F38 T39 G40 H45 W46F38-L42 HydrophobicContact CD1-CD1 3.96Å; F38-L42 HydrophobicContact CE1-CD1 3.47Å; F38-L42 VanDerWaalsContact CE1-CD1 3.47Å; F38-L42 HydrophobicContact CE1-CG 4.37Å; F38-L42 HydrophobicContact CZ-CD1 3.84Å; F38-L42 HydrophobicContact CZ-CG 4.42Å; F38-L42 WeakPolarHBondContact O-CG 3.43Å; F38-L42 PolarHBondContact O-N 3.25Å; T39-L42 PolarHBondContact O-N 3.06Å; G40-L42 VanDerWaalsContact C-N 3.34Å; G40-L42 PolarHBondContact O-N 3.45Å; L42-H45 PolarHBondContact O-N 2.89Å; L42-W46 VanDerWaalsContact O-CB 3.26Å; L42-W46 WeakPolarHBondContact O-CB 3.48Å; L42-W46 PolarHBondContact O-N 2.97Å
43L91.9Very high90.4Very high33 Ų3368.3 Ų68.317%0.17335%0.352CS..Hα-helixtrans-63.2-43.7177.2-179.661.4000111.6T39 G40 W46 L47 Y65T39-L43 WeakPolarHBondContact O-CB 3.44Å; T39-L43 PolarHBondContact O-N 3.07Å; G40-L43 PolarHBondContact O-N 3.34Å; L43-W46 HydrophobicContact CD1-CE3 3.84Å; L43-W46 HydrophobicContact CD1-CZ3 4.26Å; L43-W46 PolarHBondContact O-N 2.91Å; L43-L47 HydrophobicContact CD1-CD1 4.03Å; L43-L47 HydrophobicContact CD1-CG 4.11Å; L43-L47 HydrophobicContact CD2-CD1 4.5Å; L43-L47 HydrophobicContact CG-CD1 3.85Å; L43-L47 HydrophobicContact CG-CG 4.37Å; L43-L47 WeakPolarHBondContact O-CB 3.5Å; L43-L47 WeakPolarHBondContact O-CG 3.45Å; L43-L47 PolarHBondContact O-N 3.38Å; L43-Y65 HydrophobicContact CB-CD1 4.38Å; L43-Y65 HydrophobicContact CD2-CD1 3.54Å; L43-Y65 HydrophobicContact CD2-CD2 3.87Å; L43-Y65 HydrophobicContact CD2-CE1 4.2Å; L43-Y65 HydrophobicContact CD2-CE2 4.48Å; L43-Y65 HydrophobicContact CD2-CG 3.34Å
44H94.1Very high90.1Very high52 Ų5271.4 Ų71.424%0.24137%0.366CS..Hα-helixtrans-60.5-48.9176.4176.965.7000111.8G40 G41 W46 L47 S48 S58 V59 A62G40-H44 PolarHBondContact O-N 2.93Å; G41-H44 PolarHBondContact O-N 3.47Å; H44-W46 VanDerWaalsContact C-N 3.27Å; H44-W46 PolarHBondContact O-N 3.19Å; H44-L47 PolarHBondContact O-N 3.02Å; H44-S48 VanDerWaalsContact O-CB 3.3Å; H44-S48 WeakPolarHBondContact O-CB 3.39Å; H44-S48 PolarHBondContact O-N 3.29Å; H44-S58 PolarHBondContact CE1-OG 2.97Å; H44-S58 PolarHBondContact ND1-OG 3.5Å; H44-S58 PolarHBondContact O-OG 3.08Å; H44-V59 VanDerWaalsContact CE1-CG2 3.46Å; H44-V59 WeakPolarHBondContact CE1-CG2 3.26Å; H44-A62 HydrophobicContact CB-CB 3.66Å
45H91.9Very high90Very high112 Ų11273 Ų7352%0.51937%0.368SS..Hα-helixtrans-58.6-43.7177.1-177.181.9000110.7G41 L42 Q49G41-H45 WeakPolarHBondContact O-CB 3.41Å; G41-H45 PolarHBondContact O-N 3.25Å; L42-H45 PolarHBondContact O-N 2.89Å; H45-Q49 VanDerWaalsContact O-CB 3.22Å; H45-Q49 WeakPolarHBondContact O-CB 3.35Å; H45-Q49 PolarHBondContact O-N 2.82Å
46W87.3Confident90.1Very high72 Ų7272 Ų7227%0.27337%0.369SS..Iπ-helixtrans-65-46.3178.8-175.249.1000112.5L42 L43 H44 T50 L51 A217L42-W46 VanDerWaalsContact O-CB 3.26Å; L42-W46 WeakPolarHBondContact O-CB 3.48Å; L42-W46 PolarHBondContact O-N 2.97Å; L43-W46 HydrophobicContact CD1-CE3 3.84Å; L43-W46 HydrophobicContact CD1-CZ3 4.26Å; L43-W46 PolarHBondContact O-N 2.91Å; H44-W46 VanDerWaalsContact C-N 3.27Å; H44-W46 PolarHBondContact O-N 3.19Å; W46-T50 VanDerWaalsContact CD1-CB 3.48Å; W46-T50 WeakPolarHBondContact O-CA 3.41Å; W46-T50 VanDerWaalsContact O-CB 3.23Å; W46-T50 WeakPolarHBondContact O-CB 3.46Å; W46-T50 PolarHBondContact O-N 2.87Å; W46-T50 VanDerWaalsContact O-N 3.09Å; W46-L51 HydrophobicContact CD2-CD1 4.28Å; W46-L51 HydrophobicContact CE3-CD1 4.46Å; W46-L51 HydrophobicContact CH2-CD1 3.9Å; W46-L51 HydrophobicContact CZ2-CD1 3.67Å; W46-L51 HydrophobicContact CZ2-CD2 4.15Å; W46-L51 HydrophobicContact CZ2-CG 4.12Å; W46-L51 HydrophobicContact CZ3-CD1 4.31Å; W46-L51 PolarHBondContact O-N 2.66Å; W46-A217 HydrophobicContact CH2-CB 3.41Å; W46-A217 VanDerWaalsContact CH2-CB 3.41Å; W46-A217 HydrophobicContact CZ2-CB 3.12Å
47L88.6Confident90Very high16 Ų1673.4 Ų73.48%0.08438%0.381CS..Iπ-helixtrans-62.5-44.7177.1-75.9169000112.4L43 H44 L51 K52 Y53 S58 T61L43-L47 HydrophobicContact CD1-CD1 4.03Å; L43-L47 HydrophobicContact CD1-CG 4.11Å; L43-L47 HydrophobicContact CD2-CD1 4.5Å; L43-L47 HydrophobicContact CG-CD1 3.85Å; L43-L47 HydrophobicContact CG-CG 4.37Å; L43-L47 WeakPolarHBondContact O-CB 3.5Å; L43-L47 WeakPolarHBondContact O-CG 3.45Å; L43-L47 PolarHBondContact O-N 3.38Å; H44-L47 PolarHBondContact O-N 3.02Å; L47-L51 HydrophobicContact CD2-CD1 4.05Å; L47-L51 CarbonylContact O-C 3.58Å; L47-L51 WeakPolarHBondContact O-CB 3.48Å; L47-K52 PolarHBondContact O-N 2.89Å; L47-K52 VanDerWaalsContact O-N 3.13Å; L47-Y53 HydrophobicContact CD2-CD2 4Å; L47-Y53 HydrophobicContact CD2-CE2 4.25Å; L47-Y53 HydrophobicContact CD2-CG 4.45Å; L47-Y53 PolarHBondContact O-N 3.36Å; L47-S58 VanDerWaalsContact CB-OG 3.28Å; L47-S58 WeakPolarHBondContact CB-OG 3.43Å; L47-T61 HydrophobicContact CD1-CG2 3.78Å
48S89.9Confident89.9Confident31 Ų3168.2 Ų68.222%0.21735%0.35CS..Iπ-helixtrans-75.3-56.3-177.9175.30000112.1H44 K52H44-S48 VanDerWaalsContact O-CB 3.3Å; H44-S48 WeakPolarHBondContact O-CB 3.39Å; H44-S48 PolarHBondContact O-N 3.29Å; S48-K52 VanDerWaalsContact O-CA 3.28Å; S48-K52 WeakPolarHBondContact O-CA 3.49Å; S48-K52 PolarHBondContact O-N 2.87Å
49Q84.6Confident89.9Confident126 Ų12664.2 Ų64.259%0.58934%0.336SS*.Iπ-helixtrans-83.6-40.9-168.9-61.8-67.3-21.500112.5H45H45-Q49 VanDerWaalsContact O-CB 3.22Å; H45-Q49 WeakPolarHBondContact O-CB 3.35Å; H45-Q49 PolarHBondContact O-N 2.82Å
50T78.5Confident90Very high82 Ų8268.7 Ų68.750%0.50336%0.355SS..Iπ-helixtrans-89.5-47.7-175.9-51.70000111.2W46W46-T50 VanDerWaalsContact CD1-CB 3.48Å; W46-T50 WeakPolarHBondContact O-CA 3.41Å; W46-T50 VanDerWaalsContact O-CB 3.23Å; W46-T50 WeakPolarHBondContact O-CB 3.46Å; W46-T50 PolarHBondContact O-N 2.87Å; W46-T50 VanDerWaalsContact O-N 3.09Å
51L78.1Confident89.9Confident11 Ų1171.8 Ų71.86%0.05837%0.373CS..THydrogen-bonded Turntrans-89.9-9.4-175.5-59.5-175.5000113.3W46 L47 Y53 R214W46-L51 HydrophobicContact CD2-CD1 4.28Å; W46-L51 HydrophobicContact CE3-CD1 4.46Å; W46-L51 HydrophobicContact CH2-CD1 3.9Å; W46-L51 HydrophobicContact CZ2-CD1 3.67Å; W46-L51 HydrophobicContact CZ2-CD2 4.15Å; W46-L51 HydrophobicContact CZ2-CG 4.12Å; W46-L51 HydrophobicContact CZ3-CD1 4.31Å; W46-L51 PolarHBondContact O-N 2.66Å; L47-L51 HydrophobicContact CD2-CD1 4.05Å; L47-L51 CarbonylContact O-C 3.58Å; L47-L51 WeakPolarHBondContact O-CB 3.48Å; L51-Y53 VanDerWaalsContact C-N 3.29Å; L51-Y53 HydrophobicContact CB-CD2 3.66Å; L51-Y53 HydrophobicContact CB-CE2 3.9Å; L51-Y53 HydrophobicContact CD1-CE2 4.26Å; L51-Y53 PolarHBondContact O-N 3.43Å; L51-R214 HydrophobicContact CB-CG 4.19Å; L51-R214 HydrophobicContact CD1-CG 4.08Å; L51-R214 HydrophobicContact CD2-CB 4.31Å; L51-R214 HydrophobicContact CD2-CG 3.49Å; L51-R214 VanDerWaalsContact CD2-CG 3.49Å; L51-R214 HydrophobicContact CG-CG 4.1Å; L51-R214 VanDerWaalsContact O-CZ 3.28Å; L51-R214 PolarHBondContact O-NE 3.33Å; L51-R214 VanDerWaalsContact O-NE 3.14Å; L51-R214 PolarHBondContact O-NH2 3.33Å
52K84.3Confident90Very high153 Ų15370.1 Ų70.167%0.66536%0.355SS*.  trans54.241.3179-56.6-172.2176.6-171.10113.3L47 S48 L210L47-K52 PolarHBondContact O-N 2.89Å; L47-K52 VanDerWaalsContact O-N 3.13Å; S48-K52 VanDerWaalsContact O-CA 3.28Å; S48-K52 WeakPolarHBondContact O-CA 3.49Å; S48-K52 PolarHBondContact O-N 2.87Å; K52-L210 HydrophobicContact CD-CD1 4.45Å
53Y83.7Confident90.2Very high95 Ų9569.1 Ų69.137%0.37336%0.356SS..  trans-72.6153.4167.3-85.1-98.1000110.4L47 L51 R214L47-Y53 HydrophobicContact CD2-CD2 4Å; L47-Y53 HydrophobicContact CD2-CE2 4.25Å; L47-Y53 HydrophobicContact CD2-CG 4.45Å; L47-Y53 PolarHBondContact O-N 3.36Å; L51-Y53 VanDerWaalsContact C-N 3.29Å; L51-Y53 HydrophobicContact CB-CD2 3.66Å; L51-Y53 HydrophobicContact CB-CE2 3.9Å; L51-Y53 HydrophobicContact CD1-CE2 4.26Å; L51-Y53 PolarHBondContact O-N 3.43Å; Y53-R214 HydrophobicContact CE2-CG 4.43Å; Y53-R214 VanDerWaalsContact CE2-CZ 3.46Å
54D91.3Very high90.4Very high103 Ų10374.9 Ų74.955%0.55138%0.38SS*.  trans-54.1147.4171179.367.3000111.1V56 A57 S58D54-V56 VanDerWaalsContact C-N 3.31Å; D54-V56 PolarHBondContact O-N 3Å; D54-V56 VanDerWaalsContact OD2-CB 3.31Å; D54-V56 WeakPolarHBondContact OD2-CB 3.42Å; D54-V56 PolarHBondContact OD2-N 3.29Å; D54-A57 HydrophobicContact CB-CB 4.3Å; D54-A57 PolarHBondContact O-N 3.21Å; D54-S58 WeakPolarHBondContact O-CB 3.47Å; D54-S58 PolarHBondContact O-N 3.48Å
55H91.9Very high90.4Very high119 Ų11976 Ų7655%0.55138%0.382SS*.Hα-helixtrans-58.3-44.3-176.5-177-86.6000111.6S58 V59H55-S58 PolarHBondContact O-N 3.27Å; H55-V59 VanDerWaalsContact O-CG2 3.32Å; H55-V59 WeakPolarHBondContact O-CG2 3.45Å; H55-V59 PolarHBondContact O-N 3.12Å
56V94.3Very high90.6Very high82 Ų8272 Ų7250%0.49737%0.366SS..Hα-helixtrans-64.6-47.8-179.2-178.50000110.2D54 S58 V59 Q60D54-V56 VanDerWaalsContact C-N 3.31Å; D54-V56 PolarHBondContact O-N 3Å; D54-V56 VanDerWaalsContact OD2-CB 3.31Å; D54-V56 WeakPolarHBondContact OD2-CB 3.42Å; D54-V56 PolarHBondContact OD2-N 3.29Å; V56-S58 VanDerWaalsContact C-N 3.34Å; V56-S58 PolarHBondContact O-N 3.49Å; V56-V59 PolarHBondContact O-N 3Å; V56-Q60 HydrophobicContact CG1-CG 4.33Å; V56-Q60 WeakPolarHBondContact O-CB 3.36Å; V56-Q60 VanDerWaalsContact O-CG 3.32Å; V56-Q60 WeakPolarHBondContact O-CG 3.25Å; V56-Q60 PolarHBondContact O-N 2.9Å
57A92.8Very high91.1Very high34 Ų3472.7 Ų72.728%0.28138%0.379SS..Hα-helixtrans-61.8-41.1179.100000112.3D54 T61D54-A57 HydrophobicContact CB-CB 4.3Å; D54-A57 PolarHBondContact O-N 3.21Å; A57-T61 WeakPolarHBondContact O-CB 3.31Å; A57-T61 PolarHBondContact O-N 2.96Å; A57-T61 PolarHBondContact O-OG1 3.21Å
58S93.9Very high91.4Very high0 Ų074.6 Ų74.60%039%0.391CS..Hα-helixtrans-64.8-46.4177.8-177.30000111.9H44 L47 D54 H55 V56 A62H44-S58 PolarHBondContact CE1-OG 2.97Å; H44-S58 PolarHBondContact ND1-OG 3.5Å; H44-S58 PolarHBondContact O-OG 3.08Å; L47-S58 VanDerWaalsContact CB-OG 3.28Å; L47-S58 WeakPolarHBondContact CB-OG 3.43Å; D54-S58 WeakPolarHBondContact O-CB 3.47Å; D54-S58 PolarHBondContact O-N 3.48Å; H55-S58 PolarHBondContact O-N 3.27Å; V56-S58 VanDerWaalsContact C-N 3.34Å; V56-S58 PolarHBondContact O-N 3.49Å; S58-A62 VanDerWaalsContact O-CB 3.31Å; S58-A62 WeakPolarHBondContact O-CB 3.24Å; S58-A62 PolarHBondContact O-N 3.45Å
59V95.2Very high91.6Very high52 Ų5274.4 Ų74.432%0.31539%0.387SS..Hα-helixtrans-64.2-49178.2171.90000110.9H44 H55 V56 T61 A62 C63H44-V59 VanDerWaalsContact CE1-CG2 3.46Å; H44-V59 WeakPolarHBondContact CE1-CG2 3.26Å; H55-V59 VanDerWaalsContact O-CG2 3.32Å; H55-V59 WeakPolarHBondContact O-CG2 3.45Å; H55-V59 PolarHBondContact O-N 3.12Å; V56-V59 PolarHBondContact O-N 3Å; V59-T61 PolarHBondContact O-N 3.2Å; V59-A62 PolarHBondContact O-N 2.85Å; V59-C63 WeakPolarHBondContact O-CB 3.37Å; V59-C63 PolarHBondContact O-N 2.86Å; V59-C63 PolarHBondContact O-SG 3.35Å; V59-C63 VanDerWaalsContact O-SG 3.34Å
60Q95.4Very high92.1Very high128 Ų12870.6 Ų70.660%0.59837%0.371SS*.Hα-helixtrans-58.4-46.7-180-75.3178-18.700111.9V56 A62 C63 F64V56-Q60 HydrophobicContact CG1-CG 4.33Å; V56-Q60 WeakPolarHBondContact O-CB 3.36Å; V56-Q60 VanDerWaalsContact O-CG 3.32Å; V56-Q60 WeakPolarHBondContact O-CG 3.25Å; V56-Q60 PolarHBondContact O-N 2.9Å; Q60-A62 PolarHBondContact O-N 3.26Å; Q60-C63 PolarHBondContact O-N 3.06Å; Q60-F64 WeakPolarHBondContact O-CB 3.23Å; Q60-F64 PolarHBondContact O-N 3.48Å
61T93.6Very high92.9Very high68 Ų6871.1 Ų71.142%0.41737%0.37SS..Hα-helixtrans-62.9-43.3178.9-55.30000111.5L47 A57 V59 F64 Y65L47-T61 HydrophobicContact CD1-CG2 3.78Å; A57-T61 WeakPolarHBondContact O-CB 3.31Å; A57-T61 PolarHBondContact O-N 2.96Å; A57-T61 PolarHBondContact O-OG1 3.21Å; V59-T61 PolarHBondContact O-N 3.2Å; T61-F64 PolarHBondContact O-N 3.03Å; T61-Y65 VanDerWaalsContact O-CB 3.27Å; T61-Y65 WeakPolarHBondContact O-CB 3.4Å; T61-Y65 PolarHBondContact O-N 3.23Å
62A95.9Very high93.6Very high7 Ų772.3 Ų72.36%0.05838%0.377CS..Hα-helixtrans-66.4-40.2178.800000112.5H44 S58 V59 Q60 Y65 S66H44-A62 HydrophobicContact CB-CB 3.66Å; S58-A62 VanDerWaalsContact O-CB 3.31Å; S58-A62 WeakPolarHBondContact O-CB 3.24Å; S58-A62 PolarHBondContact O-N 3.45Å; V59-A62 PolarHBondContact O-N 2.85Å; Q60-A62 PolarHBondContact O-N 3.26Å; A62-Y65 PolarHBondContact O-N 2.92Å; A62-S66 WeakPolarHBondContact O-CB 3.34Å; A62-S66 PolarHBondContact O-N 3.25Å; A62-S66 PolarHBondContact O-OG 3.46Å
63C96.2Very high94Very high75 Ų7565.3 Ų65.351%0.50735%0.348SS..Hα-helixtrans-63.1-49.5175.3-73.30000111.3V59 Q60 Y65 S66 V67V59-C63 WeakPolarHBondContact O-CB 3.37Å; V59-C63 PolarHBondContact O-N 2.86Å; V59-C63 PolarHBondContact O-SG 3.35Å; V59-C63 VanDerWaalsContact O-SG 3.34Å; Q60-C63 PolarHBondContact O-N 3.06Å; C63-Y65 VanDerWaalsContact C-N 3.33Å; C63-Y65 PolarHBondContact O-N 3.19Å; C63-S66 PolarHBondContact O-N 3.24Å; C63-S66 VanDerWaalsContact O-N 3.17Å; C63-V67 WeakPolarHBondContact O-CG2 3.27Å; C63-V67 PolarHBondContact O-N 3.32Å
64F96.2Very high94.5Very high154 Ų15463.7 Ų63.768%0.67534%0.343SS*.Hα-helixtrans-58.8-45.3177.8179.2-98000111.8Q60 T61 T68Q60-F64 WeakPolarHBondContact O-CB 3.23Å; Q60-F64 PolarHBondContact O-N 3.48Å; T61-F64 PolarHBondContact O-N 3.03Å; F64-T68 WeakPolarHBondContact O-CB 3.31Å; F64-T68 PolarHBondContact O-N 2.95Å; F64-T68 PolarHBondContact O-OG1 2.95Å
65Y95.1Very high94.6Very high77 Ų7763.9 Ų63.930%0.30234%0.343SS..Hα-helixtrans-59.2-46.4174.4170.2-96.8000112.1L43 T61 A62 C63 V67 T68 M69L43-Y65 HydrophobicContact CB-CD1 4.38Å; L43-Y65 HydrophobicContact CD2-CD1 3.54Å; L43-Y65 HydrophobicContact CD2-CD2 3.87Å; L43-Y65 HydrophobicContact CD2-CE1 4.2Å; L43-Y65 HydrophobicContact CD2-CE2 4.48Å; L43-Y65 HydrophobicContact CD2-CG 3.34Å; T61-Y65 VanDerWaalsContact O-CB 3.27Å; T61-Y65 WeakPolarHBondContact O-CB 3.4Å; T61-Y65 PolarHBondContact O-N 3.23Å; A62-Y65 PolarHBondContact O-N 2.92Å; C63-Y65 VanDerWaalsContact C-N 3.33Å; C63-Y65 PolarHBondContact O-N 3.19Å; Y65-V67 PolarHBondContact O-N 3.45Å; Y65-T68 PolarHBondContact O-N 3.25Å; Y65-M69 HydrophobicContact CD1-CG 4.12Å; Y65-M69 HydrophobicContact CD2-CG 3.98Å; Y65-M69 HydrophobicContact CE1-CG 3.69Å; Y65-M69 HydrophobicContact CE2-CG 3.52Å; Y65-M69 HydrophobicContact CE2-SD 3.94Å; Y65-M69 HydrophobicContact CG-CG 4.26Å; Y65-M69 WeakPolarHBondContact O-CB 3.38Å; Y65-M69 VanDerWaalsContact O-CG 3.3Å; Y65-M69 WeakPolarHBondContact O-CG 3.32Å; Y65-M69 PolarHBondContact O-N 2.64Å
66S96.6Very high94.6Very high26 Ų2663.5 Ų63.518%0.18234%0.34CS..Hα-helixtrans-62.8-45.3-178-56.40000111.8A36 G40 A62 C63 M69 L70A36-S66 WeakPolarHBondContact CB-O 3.4Å; G40-S66 VanDerWaalsContact CA-OG 3.28Å; G40-S66 WeakPolarHBondContact CA-OG 3.48Å; A62-S66 WeakPolarHBondContact O-CB 3.34Å; A62-S66 PolarHBondContact O-N 3.25Å; A62-S66 PolarHBondContact O-OG 3.46Å; C63-S66 PolarHBondContact O-N 3.24Å; C63-S66 VanDerWaalsContact O-N 3.17Å; S66-M69 PolarHBondContact O-N 2.71Å; S66-L70 WeakPolarHBondContact O-CB 3.38Å; S66-L70 PolarHBondContact O-N 3.37Å
67V96.9Very high94.6Very high87 Ų8760.6 Ų60.653%0.52732%0.321SS..Hα-helixtrans-61.9-46.1175.9173.70000110.3C63 Y65 M69 L70 L71C63-V67 WeakPolarHBondContact O-CG2 3.27Å; C63-V67 PolarHBondContact O-N 3.32Å; Y65-V67 PolarHBondContact O-N 3.45Å; V67-M69 PolarHBondContact O-N 3.19Å; V67-L70 PolarHBondContact O-N 2.87Å; V67-L71 HydrophobicContact CG1-CD1 3.98Å; V67-L71 HydrophobicContact CG1-CG 4.42Å; V67-L71 WeakPolarHBondContact O-CG 3.47Å; V67-L71 PolarHBondContact O-N 3.23Å
68T95.1Very high94.6Very high56 Ų5661.8 Ų61.834%0.34433%0.326SS..Hα-helixtrans-61-45.5178.1-56.90000111.3F64 Y65 L70 L71 V72F64-T68 WeakPolarHBondContact O-CB 3.31Å; F64-T68 PolarHBondContact O-N 2.95Å; F64-T68 PolarHBondContact O-OG1 2.95Å; Y65-T68 PolarHBondContact O-N 3.25Å; T68-L70 VanDerWaalsContact C-N 3.35Å; T68-L70 PolarHBondContact O-N 3.27Å; T68-L71 PolarHBondContact O-N 2.8Å; T68-V72 HydrophobicContact CG2-CG2 4.14Å; T68-V72 VanDerWaalsContact O-CB 3.25Å; T68-V72 WeakPolarHBondContact O-CB 3.4Å; T68-V72 VanDerWaalsContact O-CG2 3.26Å; T68-V72 WeakPolarHBondContact O-CG2 3.24Å; T68-V72 PolarHBondContact O-N 3.03Å
69M93.9Very high94.6Very high28 Ų2865.4 Ų65.414%0.13835%0.345CS..Hα-helixtrans-62.7-40178-78.4-65.5-69.600112.4A36 Y65 S66 V67 S73 L83A36-M69 HydrophobicContact CB-CB 4.37Å; Y65-M69 HydrophobicContact CD1-CG 4.12Å; Y65-M69 HydrophobicContact CD2-CG 3.98Å; Y65-M69 HydrophobicContact CE1-CG 3.69Å; Y65-M69 HydrophobicContact CE2-CG 3.52Å; Y65-M69 HydrophobicContact CE2-SD 3.94Å; Y65-M69 HydrophobicContact CG-CG 4.26Å; Y65-M69 WeakPolarHBondContact O-CB 3.38Å; Y65-M69 VanDerWaalsContact O-CG 3.3Å; Y65-M69 WeakPolarHBondContact O-CG 3.32Å; Y65-M69 PolarHBondContact O-N 2.64Å; S66-M69 PolarHBondContact O-N 2.71Å; V67-M69 PolarHBondContact O-N 3.19Å; M69-S73 WeakPolarHBondContact O-CB 3.34Å; M69-S73 PolarHBondContact O-N 3.4Å; M69-S73 PolarHBondContact O-OG 3.09Å; M69-L83 HydrophobicContact CE-CD1 3.62Å; M69-L83 HydrophobicContact CE-CD2 3.76Å; M69-L83 HydrophobicContact CE-CG 4.24Å; M69-L83 HydrophobicContact SD-CD1 4.08Å; M69-L83 HydrophobicContact SD-CD2 4.06Å
70L96.3Very high94.6Very high46 Ų4663.1 Ų63.124%0.24133%0.331CS..Hα-helixtrans-62.1-52.8174.6175.258.1000110.9L29 C32 A36 S66 V67 T68 V72 S73 F74L29-L70 HydrophobicContact CD1-CD1 4.29Å; C32-L70 HydrophobicContact CB-CD1 3.82Å; A36-L70 HydrophobicContact CB-CB 3.89Å; S66-L70 WeakPolarHBondContact O-CB 3.38Å; S66-L70 PolarHBondContact O-N 3.37Å; V67-L70 PolarHBondContact O-N 2.87Å; T68-L70 VanDerWaalsContact C-N 3.35Å; T68-L70 PolarHBondContact O-N 3.27Å; L70-V72 PolarHBondContact O-N 2.98Å; L70-S73 PolarHBondContact O-N 3.36Å; L70-F74 WeakPolarHBondContact O-CB 3.11Å; L70-F74 PolarHBondContact O-N 3.45Å
71L94.8Very high94.5Very high92 Ų9257 Ų5748%0.48230%0.302SS..Hα-helixtrans-60.9-48.3-179.3-68.7174.2000111.3V67 T68 F74 L75V67-L71 HydrophobicContact CG1-CD1 3.98Å; V67-L71 HydrophobicContact CG1-CG 4.42Å; V67-L71 WeakPolarHBondContact O-CG 3.47Å; V67-L71 PolarHBondContact O-N 3.23Å; T68-L71 PolarHBondContact O-N 2.8Å; L71-F74 PolarHBondContact O-N 3.06Å; L71-L75 VanDerWaalsContact O-CB 3.27Å; L71-L75 WeakPolarHBondContact O-CB 3.13Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.43Å; L71-L75 PolarHBondContact O-N 3.32Å
72V93.1Very high94.6Very high37 Ų3754.1 Ų54.122%0.22428%0.284CS..Hα-helixtrans-62.9-46.5-179.2166.50000111.2T68 L70 F76 L79T68-V72 HydrophobicContact CG2-CG2 4.14Å; T68-V72 VanDerWaalsContact O-CB 3.25Å; T68-V72 WeakPolarHBondContact O-CB 3.4Å; T68-V72 VanDerWaalsContact O-CG2 3.26Å; T68-V72 WeakPolarHBondContact O-CG2 3.24Å; T68-V72 PolarHBondContact O-N 3.03Å; L70-V72 PolarHBondContact O-N 2.98Å; V72-F76 WeakPolarHBondContact O-CB 3.25Å; V72-F76 PolarHBondContact O-N 2.86Å; V72-L79 HydrophobicContact CG1-CB 3.6Å; V72-L79 HydrophobicContact CG1-CD1 3.46Å; V72-L79 VanDerWaalsContact CG1-CD1 3.46Å; V72-L79 HydrophobicContact CG1-CG 4.1Å
73S92.1Very high94.5Very high6 Ų655.4 Ų55.44%0.04229%0.29CS..Hα-helixtrans-69.4-36179.4-55.60000111.6M69 L70 R80 L83M69-S73 WeakPolarHBondContact O-CB 3.34Å; M69-S73 PolarHBondContact O-N 3.4Å; M69-S73 PolarHBondContact O-OG 3.09Å; L70-S73 PolarHBondContact O-N 3.36Å; S73-R80 WeakPolarHBondContact O-CD 3.45Å; S73-R80 WeakPolarHBondContact O-CG 3.44Å; S73-R80 PolarHBondContact O-NE 3.25Å; S73-L83 WeakPolarHBondContact OG-CD1 3.41Å
74F93.6Very high94.4Very high60 Ų6053.1 Ų53.126%0.26327%0.274SS..Hα-helixtrans-72.8-46180-176.8-107.6000112I25 L28 L29 L70 L71I25-F74 HydrophobicContact CG2-CE2 4.26Å; I25-F74 HydrophobicContact CG2-CZ 4Å; L28-F74 HydrophobicContact CD2-CD2 4.18Å; L28-F74 HydrophobicContact CD2-CE2 4.3Å; L28-F74 HydrophobicContact CG-CD2 4.15Å; L28-F74 HydrophobicContact CG-CE2 4.39Å; L29-F74 HydrophobicContact CB-CD2 4.34Å; L29-F74 HydrophobicContact CB-CE2 3.97Å; L29-F74 HydrophobicContact CD1-CD2 4.13Å; L29-F74 HydrophobicContact CD1-CE2 4.22Å; L70-F74 WeakPolarHBondContact O-CB 3.11Å; L70-F74 PolarHBondContact O-N 3.45Å; L71-F74 PolarHBondContact O-N 3.06Å
75L93Very high94.3Very high108 Ų10845.8 Ų45.857%0.56524%0.242SC*.Hα-helixtrans-85.3-34.2-170.4-60.4173.3000113.7L71L71-L75 VanDerWaalsContact O-CB 3.27Å; L71-L75 WeakPolarHBondContact O-CB 3.13Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.43Å; L71-L75 PolarHBondContact O-N 3.32Å
76F93.6Very high94.1Very high111 Ų11143.8 Ų43.849%0.48724%0.238SC..  trans-112.3101.5-170.9-60.6-85000112V72 L79 R80V72-F76 WeakPolarHBondContact O-CB 3.25Å; V72-F76 PolarHBondContact O-N 2.86Å; F76-L79 HydrophobicContact CB-CB 3.92Å; F76-L79 HydrophobicContact CB-CD1 3.74Å; F76-L79 HydrophobicContact CB-CG 3.96Å; F76-L79 HydrophobicContact CD2-CD1 4.21Å; F76-L79 HydrophobicContact CG-CD1 3.97Å; F76-L79 PolarHBondContact O-N 2.89Å; F76-L79 VanDerWaalsContact O-N 3.13Å; F76-R80 PolarHBondContact O-N 3.22Å; F76-R80 VanDerWaalsContact O-N 3.1Å
77H93.1Very high93.8Very high20 Ų2048.8 Ų48.89%0.09326%0.261CS..Hα-helixtrans-55.3-44.3178.3173.7-93.7000114.7S16 K17 P18 L79 R80 C81 F407 F408S16-H77 PolarHBondContact O-NE2 3.15Å; K17-H77 PolarHBondContact O-CD2 3.35Å; P18-H77 WeakPolarHBondContact CA-CD2 3.5Å; H77-L79 VanDerWaalsContact C-N 3.3Å; H77-L79 PolarHBondContact O-N 3.05Å; H77-R80 WeakPolarHBondContact O-CB 3.32Å; H77-R80 PolarHBondContact O-N 3.25Å; H77-C81 PolarHBondContact O-N 2.84Å; H77-F407 AromaticContact CD2-CD1 3.8Å; H77-F407 AromaticContact CE1-CD1 3.87Å; H77-F407 PolarHBondContact CE1-O 3.4Å; H77-F407 AromaticContact NE2-CD1 3.41Å; H77-F407 WeakPolarHBondContact NE2-CD1 3.42Å; H77-F407 PolarHBondContact NE2-O 3.49Å; H77-F408 AromaticContact CE1-CE1 3.93Å; H77-F408 AromaticContact CE1-CZ 3.83Å; H77-F408 AromaticContact ND1-CE1 3.88Å; H77-F408 AromaticContact ND1-CZ 3.72Å
78P94Very high93.6Very high60 Ų6044.9 Ų44.939%0.3924%0.238SC..Hα-helixtrans-64-35.2176.6-22.934.4000113C81 V82 L232 F408P78-C81 WeakPolarHBondContact O-CB 3.43Å; P78-C81 PolarHBondContact O-N 2.98Å; P78-V82 WeakPolarHBondContact O-CG2 3.49Å; P78-V82 PolarHBondContact O-N 2.92Å; P78-L232 HydrophobicContact CB-CD2 4.25Å; P78-F408 HydrophobicContact CB-CZ 4.18Å; P78-F408 HydrophobicContact CG-CZ 4.22Å
79L93.2Very high93.5Very high75 Ų7542.2 Ų42.239%0.39322%0.222SC..Hα-helixtrans-71-35.8179.9-67.2175.8000111.4V72 F76 H77 C81 V82 L83V72-L79 HydrophobicContact CG1-CB 3.6Å; V72-L79 HydrophobicContact CG1-CD1 3.46Å; V72-L79 VanDerWaalsContact CG1-CD1 3.46Å; V72-L79 HydrophobicContact CG1-CG 4.1Å; F76-L79 HydrophobicContact CB-CB 3.92Å; F76-L79 HydrophobicContact CB-CD1 3.74Å; F76-L79 HydrophobicContact CB-CG 3.96Å; F76-L79 HydrophobicContact CD2-CD1 4.21Å; F76-L79 HydrophobicContact CG-CD1 3.97Å; F76-L79 PolarHBondContact O-N 2.89Å; F76-L79 VanDerWaalsContact O-N 3.13Å; H77-L79 VanDerWaalsContact C-N 3.3Å; H77-L79 PolarHBondContact O-N 3.05Å; L79-C81 VanDerWaalsContact C-N 3.3Å; L79-C81 PolarHBondContact O-N 3.42Å; L79-V82 PolarHBondContact O-N 3.45Å; L79-L83 WeakPolarHBondContact O-CB 3.24Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.39Å; L79-L83 PolarHBondContact O-N 2.87Å
80R94.3Very high93.4Very high5 Ų542.9 Ų42.92%0.01923%0.227CC..Hα-helixtrans-53.3-47.7168.2-72.3-174.8-101158.9-1.9112.2Y15 K17 S73 F76 H77 V82 L83 T84 F407Y15-R80 HydrophobicContact CE2-CG 4.41Å; Y15-R80 PolarHBondContact O-NH1 3.34Å; K17-R80 PolarHBondContact O-NH1 3.27Å; K17-R80 VanDerWaalsContact O-NH1 3.1Å; S73-R80 WeakPolarHBondContact O-CD 3.45Å; S73-R80 WeakPolarHBondContact O-CG 3.44Å; S73-R80 PolarHBondContact O-NE 3.25Å; F76-R80 PolarHBondContact O-N 3.22Å; F76-R80 VanDerWaalsContact O-N 3.1Å; H77-R80 WeakPolarHBondContact O-CB 3.32Å; H77-R80 PolarHBondContact O-N 3.25Å; R80-V82 PolarHBondContact O-N 3.48Å; R80-L83 PolarHBondContact O-N 3.28Å; R80-T84 PolarHBondContact O-N 3.48Å; R80-T84 PolarHBondContact O-OG1 3.09Å; R80-F407 HydrophobicContact CB-CE1 3.57Å; R80-F407 HydrophobicContact CB-CZ 4.14Å
81C95.1Very high93.1Very high0 Ų042.4 Ų42.40%023%0.227CC..Hα-helixtrans-59.8-47.6178.1-174.60000111.2H77 P78 L79 L83 T84 M85 L232 F407 F408H77-C81 PolarHBondContact O-N 2.84Å; P78-C81 WeakPolarHBondContact O-CB 3.43Å; P78-C81 PolarHBondContact O-N 2.98Å; L79-C81 VanDerWaalsContact C-N 3.3Å; L79-C81 PolarHBondContact O-N 3.42Å; C81-L83 PolarHBondContact O-N 3.18Å; C81-T84 PolarHBondContact O-N 3.25Å; C81-M85 WeakPolarHBondContact O-CB 3.34Å; C81-M85 VanDerWaalsContact O-CG 3.24Å; C81-M85 WeakPolarHBondContact O-CG 3.44Å; C81-M85 PolarHBondContact O-N 3.47Å; C81-M85 VanDerWaalsContact SG-SD 3.67Å; C81-L232 HydrophobicContact CB-CD2 4.23Å; C81-F407 HydrophobicContact CB-CB 4.11Å; C81-F407 HydrophobicContact CB-CD1 3.62Å; C81-F407 HydrophobicContact CB-CD2 4.21Å; C81-F407 HydrophobicContact CB-CE1 4.07Å; C81-F407 HydrophobicContact CB-CG 3.71Å; C81-F408 HydrophobicContact CB-CE2 4.14Å
82V95.4Very high92.9Very high6 Ų638.2 Ų38.24%0.03621%0.206CC..Hα-helixtrans-58.7-47.8177.4173.10000110.9P78 L79 R80 T84 M85 T86 I225 A229 L232P78-V82 WeakPolarHBondContact O-CG2 3.49Å; P78-V82 PolarHBondContact O-N 2.92Å; L79-V82 PolarHBondContact O-N 3.45Å; R80-V82 PolarHBondContact O-N 3.48Å; V82-T84 PolarHBondContact O-N 3.01Å; V82-M85 WeakPolarHBondContact O-CB 3.44Å; V82-M85 PolarHBondContact O-N 2.84Å; V82-T86 WeakPolarHBondContact O-CG2 3.17Å; V82-T86 PolarHBondContact O-N 3.2Å; V82-T86 VanDerWaalsContact O-N 3.09Å; V82-I225 HydrophobicContact CG1-CG2 4.28Å; V82-A229 HydrophobicContact CG1-CB 4.24Å; V82-A229 HydrophobicContact CG2-CB 4.24Å; V82-L232 HydrophobicContact CG2-CB 4.29Å; V82-L232 HydrophobicContact CG2-CD2 3.58Å
83L92.6Very high92.6Very high34 Ų3441.1 Ų41.118%0.17822%0.215CC..Hα-helixtrans-60.7-44.1179.5-70.4175.2000111.5M69 S73 L79 R80 C81 M85 T86M69-L83 HydrophobicContact CE-CD1 3.62Å; M69-L83 HydrophobicContact CE-CD2 3.76Å; M69-L83 HydrophobicContact CE-CG 4.24Å; M69-L83 HydrophobicContact SD-CD1 4.08Å; M69-L83 HydrophobicContact SD-CD2 4.06Å; S73-L83 WeakPolarHBondContact OG-CD1 3.41Å; L79-L83 WeakPolarHBondContact O-CB 3.24Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.39Å; L79-L83 PolarHBondContact O-N 2.87Å; R80-L83 PolarHBondContact O-N 3.28Å; C81-L83 PolarHBondContact O-N 3.18Å; L83-M85 VanDerWaalsContact C-N 3.29Å; L83-M85 PolarHBondContact O-N 3.06Å; L83-T86 WeakPolarHBondContact O-CB 3.38Å; L83-T86 PolarHBondContact O-N 2.91Å; L83-T86 PolarHBondContact O-OG1 3.47Å
84T93.6Very high92.5Very high28 Ų2842.4 Ų42.417%0.17222%0.22CC..Hα-helixtrans-65.3-35.8177.4-50.60000111.7W12 Y15 R80 C81 V82 T86 P88 I403W12-T84 HydrophobicContact CH2-CG2 3.91Å; W12-T84 HydrophobicContact CZ3-CG2 4.07Å; Y15-T84 HydrophobicContact CE1-CG2 4.46Å; Y15-T84 VanDerWaalsContact CE1-OG1 3.24Å; Y15-T84 WeakPolarHBondContact CE1-OG1 3.44Å; Y15-T84 PolarHBondContact OH-OG1 3.39Å; R80-T84 PolarHBondContact O-N 3.48Å; R80-T84 PolarHBondContact O-OG1 3.09Å; C81-T84 PolarHBondContact O-N 3.25Å; V82-T84 PolarHBondContact O-N 3.01Å; T84-T86 VanDerWaalsContact C-N 3.3Å; T84-T86 PolarHBondContact O-N 2.95Å; T84-P88 VanDerWaalsContact O-CD 3.23Å; T84-P88 WeakPolarHBondContact O-CD 3.38Å; T84-I403 HydrophobicContact CG2-CD1 4.12Å; T84-I403 HydrophobicContact CG2-CG1 4.46Å; T84-I403 HydrophobicContact CG2-CG2 4.12Å
85M94.3Very high92.2Very high0 Ų039.5 Ų39.50%021%0.208CC..Hα-helixtrans-73.1-16.6177-75.2169.643.500114.3C81 V82 L83 L87 P88 T89 S228 Y231 L232 I403 C404C81-M85 WeakPolarHBondContact O-CB 3.34Å; C81-M85 VanDerWaalsContact O-CG 3.24Å; C81-M85 WeakPolarHBondContact O-CG 3.44Å; C81-M85 PolarHBondContact O-N 3.47Å; C81-M85 VanDerWaalsContact SG-SD 3.67Å; V82-M85 WeakPolarHBondContact O-CB 3.44Å; V82-M85 PolarHBondContact O-N 2.84Å; L83-M85 VanDerWaalsContact C-N 3.29Å; L83-M85 PolarHBondContact O-N 3.06Å; M85-L87 VanDerWaalsContact C-N 3.27Å; M85-L87 PolarHBondContact O-N 3.32Å; M85-P88 VanDerWaalsContact O-CD 3.28Å; M85-P88 WeakPolarHBondContact O-CD 3.27Å; M85-P88 WeakPolarHBondContact O-CG 3.37Å; M85-T89 VanDerWaalsContact O-CB 3.27Å; M85-T89 WeakPolarHBondContact O-CB 3.44Å; M85-T89 PolarHBondContact O-N 2.99Å; M85-T89 PolarHBondContact O-OG1 3.14Å; M85-S228 WeakPolarHBondContact CE-O 3.12Å; M85-Y231 HydrophobicContact CE-CD1 3.44Å; M85-Y231 VanDerWaalsContact CE-CD1 3.44Å; M85-Y231 HydrophobicContact CE-CE1 4.35Å; M85-Y231 HydrophobicContact CE-CG 4Å; M85-Y231 HydrophobicContact SD-CD1 4.46Å; M85-L232 HydrophobicContact CE-CB 4.44Å; M85-I403 HydrophobicContact CG-CB 4.16Å; M85-I403 HydrophobicContact CG-CD1 4.31Å; M85-I403 HydrophobicContact CG-CG2 3.81Å; M85-C404 PolarHBondContact SD-SG 2.83Å
86T92.3Very high92.1Very high35 Ų3535 Ų3522%0.21518%0.183CC..Hα-helixtrans-58.4-42.5177.960.50000111.2V82 L83 T84 T89 V90 I225V82-T86 WeakPolarHBondContact O-CG2 3.17Å; V82-T86 PolarHBondContact O-N 3.2Å; V82-T86 VanDerWaalsContact O-N 3.09Å; L83-T86 WeakPolarHBondContact O-CB 3.38Å; L83-T86 PolarHBondContact O-N 2.91Å; L83-T86 PolarHBondContact O-OG1 3.47Å; T84-T86 VanDerWaalsContact C-N 3.3Å; T84-T86 PolarHBondContact O-N 2.95Å; T86-T89 CarbonylContact O-C 3.5Å; T86-T89 WeakPolarHBondContact O-CA 3.29Å; T86-T89 WeakPolarHBondContact O-CB 3.5Å; T86-T89 PolarHBondContact O-N 2.77Å; T86-T89 VanDerWaalsContact O-N 3.1Å; T86-V90 VanDerWaalsContact O-CG2 3.31Å; T86-V90 WeakPolarHBondContact O-CG2 2.96Å; T86-V90 PolarHBondContact O-N 3.45Å; T86-I225 HydrophobicContact CG2-CG1 4.04Å
87L90.7Very high91.9Very high130 Ų13036 Ų3668%0.68119%0.187SC*.Hα-helixtrans-58.8-56.9-179.4-178.668000113.1M85 T89 V90M85-L87 VanDerWaalsContact C-N 3.27Å; M85-L87 PolarHBondContact O-N 3.32Å; L87-T89 PolarHBondContact O-N 2.8Å; L87-V90 WeakPolarHBondContact O-CB 3.19Å; L87-V90 PolarHBondContact O-N 3.35Å; L87-V90 VanDerWaalsContact O-N 3.16Å
88P92.8Very high91.6Very high6 Ų637.3 Ų37.34%0.03920%0.195CC..Hα-helixtrans-65.9-26174.225.5-33.7000112.3T84 M85 V90 C91 T92 A396 L399 R400 I403T84-P88 VanDerWaalsContact O-CD 3.23Å; T84-P88 WeakPolarHBondContact O-CD 3.38Å; M85-P88 VanDerWaalsContact O-CD 3.28Å; M85-P88 WeakPolarHBondContact O-CD 3.27Å; M85-P88 WeakPolarHBondContact O-CG 3.37Å; P88-V90 VanDerWaalsContact C-N 3.27Å; P88-V90 PolarHBondContact O-N 2.87Å; P88-C91 PolarHBondContact O-N 3.13Å; P88-T92 WeakPolarHBondContact O-CG2 3.43Å; P88-A396 HydrophobicContact CB-CB 4.42Å; P88-A396 WeakPolarHBondContact O-CB 3.34Å; P88-L399 HydrophobicContact CB-CB 4.35Å; P88-L399 HydrophobicContact CB-CD2 4.05Å; P88-L399 HydrophobicContact CB-CG 4.22Å; P88-L399 HydrophobicContact CG-CD2 4.48Å; P88-L399 HydrophobicContact CG-CG 4.43Å; P88-R400 HydrophobicContact CB-CG 3.89Å; P88-R400 HydrophobicContact CG-CG 3.74Å; P88-I403 HydrophobicContact CG-CD1 3.72Å
89T92.1Very high91.4Very high0 Ų035.5 Ų35.50%018%0.182CC..Hα-helixtrans-64.7-31.3173.8-59.70000112.2M85 T86 L87 C91 T92 L224 E227 S228 R400M85-T89 VanDerWaalsContact O-CB 3.27Å; M85-T89 WeakPolarHBondContact O-CB 3.44Å; M85-T89 PolarHBondContact O-N 2.99Å; M85-T89 PolarHBondContact O-OG1 3.14Å; T86-T89 CarbonylContact O-C 3.5Å; T86-T89 WeakPolarHBondContact O-CA 3.29Å; T86-T89 WeakPolarHBondContact O-CB 3.5Å; T86-T89 PolarHBondContact O-N 2.77Å; T86-T89 VanDerWaalsContact O-N 3.1Å; L87-T89 PolarHBondContact O-N 2.8Å; T89-C91 PolarHBondContact O-N 3.32Å; T89-T92 WeakPolarHBondContact O-CB 3.03Å; T89-T92 PolarHBondContact O-N 3.47Å; T89-T92 VanDerWaalsContact O-N 3.13Å; T89-T92 PolarHBondContact O-OG1 3.25Å; T89-L224 HydrophobicContact CG2-CD2 3.92Å; T89-E227 HydrophobicContact CG2-CB 4.27Å; T89-S228 PolarHBondContact OG1-OG 3.07Å; T89-R400 VanDerWaalsContact OG1-CD 3.25Å; T89-R400 WeakPolarHBondContact OG1-CD 3.22Å
90V91.1Very high91.3Very high41 Ų4133 Ų3325%0.24817%0.169CC..Hα-helixtrans-57.6-40.8169.8-1720000110.7T86 L87 P88 T92 G95 L224 M389T86-V90 VanDerWaalsContact O-CG2 3.31Å; T86-V90 WeakPolarHBondContact O-CG2 2.96Å; T86-V90 PolarHBondContact O-N 3.45Å; L87-V90 WeakPolarHBondContact O-CB 3.19Å; L87-V90 PolarHBondContact O-N 3.35Å; L87-V90 VanDerWaalsContact O-N 3.16Å; P88-V90 VanDerWaalsContact C-N 3.27Å; P88-V90 PolarHBondContact O-N 2.87Å; V90-T92 PolarHBondContact O-N 2.91Å; V90-G95 WeakPolarHBondContact O-CA 3.44Å; V90-G95 PolarHBondContact O-N 3.02Å; V90-L224 HydrophobicContact CG2-CD1 3.69Å; V90-L224 HydrophobicContact CG2-CD2 4.32Å; V90-M389 HydrophobicContact CG1-CE 3.97Å
91C90.6Very high91Very high36 Ų3634.9 Ų34.924%0.24318%0.182CC..THydrogen-bonded Turntrans-7718-179.9-61.90000113.9P88 T89 L392 E393 A396P88-C91 PolarHBondContact O-N 3.13Å; T89-C91 PolarHBondContact O-N 3.32Å; C91-L392 HydrophobicContact CB-CB 4.4Å; C91-E393 VanDerWaalsContact O-CA 3.23Å; C91-E393 WeakPolarHBondContact O-CA 3.31Å; C91-A396 HydrophobicContact CB-CB 3.69Å
92T89.8Confident90.6Very high5 Ų535.9 Ų35.93%0.03119%0.191CC..SBendtrans-110.7-169.3177.372.70000112P88 T89 V90 Q94 G95 R96 A396P88-T92 WeakPolarHBondContact O-CG2 3.43Å; T89-T92 WeakPolarHBondContact O-CB 3.03Å; T89-T92 PolarHBondContact O-N 3.47Å; T89-T92 VanDerWaalsContact O-N 3.13Å; T89-T92 PolarHBondContact O-OG1 3.25Å; V90-T92 PolarHBondContact O-N 2.91Å; T92-Q94 PolarHBondContact O-N 2.98Å; T92-Q94 PolarHBondContact OG1-N 3.43Å; T92-G95 PolarHBondContact O-N 3.4Å; T92-R96 PolarHBondContact O-N 2.89Å; T92-A396 HydrophobicContact CG2-CB 4.11Å
93K88.1Confident90.4Very high98 Ų9835.6 Ų35.643%0.42619%0.189SC..Hα-helixtrans-50.1-31.8173-48.5-163.6174.5179.20112.8R96 K97 E393K93-R96 PolarHBondContact O-N 3.49Å; K93-K97 WeakPolarHBondContact O-CG 3.26Å; K93-K97 PolarHBondContact O-N 3.34Å; K93-E393 WeakPolarHBondContact CE-OE1 3.46Å; K93-E393 WeakPolarHBondContact CG-OE1 3.31Å
94Q88.8Confident90.3Very high32 Ų3237 Ų3715%0.1520%0.199CC..Hα-helixtrans-67.7-46.5-178.8-59.7-61.52.800112.4T92 R96 K97 L98 F220 L224 E227T92-Q94 PolarHBondContact O-N 2.98Å; T92-Q94 PolarHBondContact OG1-N 3.43Å; Q94-R96 VanDerWaalsContact C-N 3.31Å; Q94-R96 PolarHBondContact O-N 2.73Å; Q94-K97 WeakPolarHBondContact O-CB 3.21Å; Q94-K97 PolarHBondContact O-N 3.1Å; Q94-L98 PolarHBondContact O-N 3.21Å; Q94-F220 WeakPolarHBondContact O-CE2 3.43Å; Q94-L224 HydrophobicContact CB-CD2 4.09Å; Q94-E227 HydrophobicContact CG-CB 4.44Å; Q94-E227 HydrophobicContact CG-CG 4.02Å; Q94-E227 PolarHBondContact NE2-OE2 2.77Å
95G88.6Confident89.9Confident0 Ų037 Ų370%020%0.197CC..Hα-helixtrans-68.9-29.2175.900000113.4V90 T92 L98 L99V90-G95 WeakPolarHBondContact O-CA 3.44Å; V90-G95 PolarHBondContact O-N 3.02Å; T92-G95 PolarHBondContact O-N 3.4Å; G95-L98 WeakPolarHBondContact O-CB 3.48Å; G95-L98 PolarHBondContact O-N 3.07Å; G95-L98 VanDerWaalsContact O-N 3.17Å; G95-L99 PolarHBondContact O-N 2.84Å
96R90Very high89.6Confident13 Ų1338 Ų385%0.04920%0.202CC..Hα-helixtrans-63.6-40.6170.2-69.3-159.7-55.9-82.17.1112.7T92 K93 Q94 L98 L99 I100 S279 S386 M389 E393T92-R96 PolarHBondContact O-N 2.89Å; K93-R96 PolarHBondContact O-N 3.49Å; Q94-R96 VanDerWaalsContact C-N 3.31Å; Q94-R96 PolarHBondContact O-N 2.73Å; R96-L98 PolarHBondContact O-N 2.66Å; R96-L99 PolarHBondContact O-N 3.28Å; R96-I100 WeakPolarHBondContact O-CG1 3.13Å; R96-I100 PolarHBondContact O-N 3.37Å; R96-S279 PolarHBondContact NH2-OG 3.18Å; R96-S386 WeakPolarHBondContact CD-O 3.08Å; R96-M389 HydrophobicContact CG-CB 3.68Å; R96-M389 HydrophobicContact CG-SD 4.03Å; R96-E393 IonicContact CZ-OE2 3.83Å; R96-E393 IonicContact NH1-OE2 2.73Å; R96-E393 PolarHBondContact NH1-OE2 3.2Å; R96-E393 IonicContact NH2-OE2 2.64Å; R96-E393 PolarHBondContact NH2-OE2 3.37Å
97K88.8Confident89.5Confident132 Ų13236.8 Ų36.857%0.57419%0.194SC*.Hα-helixtrans-59.1-37.9173-72.7176.9-179.7-177.60111.5K93 Q94 S101K93-K97 WeakPolarHBondContact O-CG 3.26Å; K93-K97 PolarHBondContact O-N 3.34Å; Q94-K97 WeakPolarHBondContact O-CB 3.21Å; Q94-K97 PolarHBondContact O-N 3.1Å; K97-S101 VanDerWaalsContact O-CB 3.27Å; K97-S101 WeakPolarHBondContact O-CB 3.39Å; K97-S101 PolarHBondContact O-N 3.46Å
98L87.6Confident89.3Confident47 Ų4732.8 Ų32.825%0.24618%0.176CC..Hα-helixtrans-62.8-51.4172.6174.770.1000111.9Q94 G95 R96 I100 S101 A102 F220Q94-L98 PolarHBondContact O-N 3.21Å; G95-L98 WeakPolarHBondContact O-CB 3.48Å; G95-L98 PolarHBondContact O-N 3.07Å; G95-L98 VanDerWaalsContact O-N 3.17Å; R96-L98 PolarHBondContact O-N 2.66Å; L98-I100 VanDerWaalsContact C-N 3.26Å; L98-I100 PolarHBondContact O-N 2.76Å; L98-S101 PolarHBondContact O-N 3.41Å; L98-S101 VanDerWaalsContact O-N 3.14Å; L98-A102 VanDerWaalsContact O-CB 3.32Å; L98-A102 WeakPolarHBondContact O-CB 3.23Å; L98-A102 PolarHBondContact O-N 3.33Å; L98-F220 HydrophobicContact CB-CD1 4.38Å; L98-F220 HydrophobicContact CB-CD2 3.6Å; L98-F220 HydrophobicContact CB-CE1 4.14Å; L98-F220 HydrophobicContact CB-CE2 3.36Å; L98-F220 HydrophobicContact CB-CG 4.1Å; L98-F220 HydrophobicContact CB-CZ 3.62Å; L98-F220 HydrophobicContact CD1-CB 3.96Å; L98-F220 HydrophobicContact CD1-CD1 3.98Å; L98-F220 HydrophobicContact CD1-CD2 4Å; L98-F220 HydrophobicContact CD1-CE1 4.45Å; L98-F220 HydrophobicContact CD1-CG 3.68Å; L98-F220 HydrophobicContact CD2-CD1 3.47Å; L98-F220 VanDerWaalsContact CD2-CD1 3.47Å; L98-F220 HydrophobicContact CD2-CD2 4.28Å; L98-F220 HydrophobicContact CD2-CE1 3.18Å; L98-F220 HydrophobicContact CD2-CE2 4.08Å; L98-F220 HydrophobicContact CD2-CG 3.98Å; L98-F220 HydrophobicContact CD2-CZ 3.51Å; L98-F220 HydrophobicContact CG-CD1 4.11Å; L98-F220 HydrophobicContact CG-CD2 4.13Å; L98-F220 HydrophobicContact CG-CE1 4.07Å; L98-F220 HydrophobicContact CG-CE2 4.14Å; L98-F220 HydrophobicContact CG-CG 4.1Å; L98-F220 HydrophobicContact CG-CZ 4.06Å
99L90.4Very high88.8Confident22 Ų2233.5 Ų33.512%0.11518%0.179CC..Hα-helixtrans-58-42.4-178.9-71176.2000111.3G95 R96 A102 S103 F382 M385 S386 M389G95-L99 PolarHBondContact O-N 2.84Å; R96-L99 PolarHBondContact O-N 3.28Å; L99-A102 PolarHBondContact O-N 3.44Å; L99-S103 WeakPolarHBondContact O-CB 3.33Å; L99-S103 PolarHBondContact O-N 3.49Å; L99-S103 PolarHBondContact O-OG 2.94Å; L99-F382 HydrophobicContact CD2-CD1 4.07Å; L99-F382 HydrophobicContact CD2-CE1 4.42Å; L99-F382 HydrophobicContact CD2-CG 4.32Å; L99-M385 HydrophobicContact CD1-CB 3.93Å; L99-S386 WeakPolarHBondContact CB-OG 3.46Å; L99-S386 WeakPolarHBondContact CD1-OG 3.33Å; L99-M389 HydrophobicContact CD1-CE 4.1Å; L99-M389 HydrophobicContact CD1-SD 3.65Å
100I89.9Confident88.4Confident23 Ų2335.6 Ų35.612%0.11819%0.19CC..Hα-helixtrans-63.9-48175.5-66165.7000110.4R96 L98 A102 S103 V104 Y286R96-I100 WeakPolarHBondContact O-CG1 3.13Å; R96-I100 PolarHBondContact O-N 3.37Å; L98-I100 VanDerWaalsContact C-N 3.26Å; L98-I100 PolarHBondContact O-N 2.76Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 3.07Å; I100-S103 WeakPolarHBondContact O-CB 3.31Å; I100-S103 PolarHBondContact O-N 3.02Å; I100-S103 VanDerWaalsContact O-N 3.15Å; I100-V104 WeakPolarHBondContact O-CG2 3.43Å; I100-V104 PolarHBondContact O-N 3.47Å; I100-Y286 HydrophobicContact CD1-CD2 3.93Å; I100-Y286 HydrophobicContact CD1-CE2 4.42Å; I100-Y286 HydrophobicContact CD1-CG 4.35Å; I100-Y286 HydrophobicContact CG2-CD1 3.98Å; I100-Y286 HydrophobicContact CG2-CD2 4.5Å; I100-Y286 HydrophobicContact CG2-CE1 4.39Å; I100-Y286 HydrophobicContact CG2-CG 4.05Å
101S88.7Confident88.4Confident44 Ų4434 Ų3431%0.30818%0.18SC..Hα-helixtrans-62-39.8178.8-170.70000112.6K97 L98 S103 V104 M105 L216K97-S101 VanDerWaalsContact O-CB 3.27Å; K97-S101 WeakPolarHBondContact O-CB 3.39Å; K97-S101 PolarHBondContact O-N 3.46Å; L98-S101 PolarHBondContact O-N 3.41Å; L98-S101 VanDerWaalsContact O-N 3.14Å; S101-S103 VanDerWaalsContact C-N 3.34Å; S101-V104 PolarHBondContact O-N 3.32Å; S101-M105 VanDerWaalsContact O-CB 3.3Å; S101-M105 WeakPolarHBondContact O-CB 3.45Å; S101-M105 PolarHBondContact O-N 3.47Å; S101-L216 VanDerWaalsContact OG-CD1 3.32Å; S101-L216 WeakPolarHBondContact OG-CD1 3.28Å
102A87.6Confident88.2Confident21 Ų2135.1 Ų35.117%0.17418%0.183CC..Hα-helixtrans-67.5-37.1175.600000111.1L98 L99 I100 M105 I106 F382L98-A102 VanDerWaalsContact O-CB 3.32Å; L98-A102 WeakPolarHBondContact O-CB 3.23Å; L98-A102 PolarHBondContact O-N 3.33Å; L99-A102 PolarHBondContact O-N 3.44Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 3.07Å; A102-M105 WeakPolarHBondContact O-CB 3.35Å; A102-M105 PolarHBondContact O-N 3.33Å; A102-I106 VanDerWaalsContact O-CG1 3.28Å; A102-I106 WeakPolarHBondContact O-CG1 3.48Å; A102-I106 PolarHBondContact O-N 3.36Å; A102-F382 HydrophobicContact CB-CD2 4.4Å; A102-F382 HydrophobicContact CB-CE2 3.78Å; A102-F382 HydrophobicContact CB-CZ 4.49Å
103S91.1Very high88Confident0 Ų036 Ų360%019%0.189CC..Hα-helixtrans-64.1-45.6174.6-55.30000111.5L99 I100 S101 M105 I106 L107 F382L99-S103 WeakPolarHBondContact O-CB 3.33Å; L99-S103 PolarHBondContact O-N 3.49Å; L99-S103 PolarHBondContact O-OG 2.94Å; I100-S103 WeakPolarHBondContact O-CB 3.31Å; I100-S103 PolarHBondContact O-N 3.02Å; I100-S103 VanDerWaalsContact O-N 3.15Å; S101-S103 VanDerWaalsContact C-N 3.34Å; S103-M105 VanDerWaalsContact C-N 3.32Å; S103-M105 PolarHBondContact O-N 3.1Å; S103-I106 PolarHBondContact O-N 2.73Å; S103-L107 WeakPolarHBondContact O-CB 3.42Å; S103-L107 PolarHBondContact O-N 3.3Å; S103-F382 WeakPolarHBondContact OG-CD2 3.37Å
104V89.6Confident88Confident64 Ų6432 Ų3239%0.38817%0.172SC..Hα-helixtrans-61.6-42.1174173.10000110.9I100 S101 I106 L107 V108I100-V104 WeakPolarHBondContact O-CG2 3.43Å; I100-V104 PolarHBondContact O-N 3.47Å; S101-V104 PolarHBondContact O-N 3.32Å; V104-I106 PolarHBondContact O-N 3.39Å; V104-L107 WeakPolarHBondContact O-CB 3.41Å; V104-L107 PolarHBondContact O-N 2.99Å; V104-V108 HydrophobicContact CG1-CG2 4.25Å; V104-V108 WeakPolarHBondContact O-CB 3.31Å; V104-V108 VanDerWaalsContact O-CG2 3.29Å; V104-V108 WeakPolarHBondContact O-CG2 3.49Å; V104-V108 PolarHBondContact O-N 3.21Å
105M86.1Confident87.9Confident27 Ų2731.5 Ų31.513%0.13317%0.171CC..Hα-helixtrans-61.1-45.3176.7-173.757.875.200111.9S101 A102 S103 L107 V108 L109 S212 N213 L216S101-M105 VanDerWaalsContact O-CB 3.3Å; S101-M105 WeakPolarHBondContact O-CB 3.45Å; S101-M105 PolarHBondContact O-N 3.47Å; A102-M105 WeakPolarHBondContact O-CB 3.35Å; A102-M105 PolarHBondContact O-N 3.33Å; S103-M105 VanDerWaalsContact C-N 3.32Å; S103-M105 PolarHBondContact O-N 3.1Å; M105-L107 VanDerWaalsContact C-N 3.31Å; M105-L107 PolarHBondContact O-N 3.3Å; M105-V108 PolarHBondContact O-N 3.28Å; M105-L109 HydrophobicContact CG-CD1 3.67Å; M105-L109 HydrophobicContact CG-CG 4.45Å; M105-L109 VanDerWaalsContact O-CB 3.27Å; M105-L109 WeakPolarHBondContact O-CB 3.27Å; M105-L109 WeakPolarHBondContact O-CG 3.24Å; M105-L109 PolarHBondContact O-N 2.97Å; M105-L109 HydrophobicContact SD-CD1 3.45Å; M105-L109 WeakPolarHBondContact SD-CD1 3.39Å; M105-L109 HydrophobicContact SD-CG 3.9Å; M105-S212 WeakPolarHBondContact CE-OG 3.43Å; M105-N213 VanDerWaalsContact CG-OD1 3.22Å; M105-N213 WeakPolarHBondContact CG-OD1 3.47Å; M105-L216 HydrophobicContact CE-CD2 4.3Å
106I87.3Confident87.7Confident22 Ų2232.7 Ų32.711%0.11318%0.178CC..Hα-helixtrans-60.3-43.1175.1-73165.2000110.9A102 S103 V104 L109 N110 V375 L378 L379 F382A102-I106 VanDerWaalsContact O-CG1 3.28Å; A102-I106 WeakPolarHBondContact O-CG1 3.48Å; A102-I106 PolarHBondContact O-N 3.36Å; S103-I106 PolarHBondContact O-N 2.73Å; V104-I106 PolarHBondContact O-N 3.39Å; I106-L109 PolarHBondContact O-N 2.84Å; I106-N110 WeakPolarHBondContact O-CB 3.43Å; I106-N110 PolarHBondContact O-N 2.87Å; I106-N110 PolarHBondContact O-ND2 3.46Å; I106-V375 HydrophobicContact CG2-CG1 3.61Å; I106-L378 HydrophobicContact CD1-CD2 3.53Å; I106-L378 HydrophobicContact CD1-CG 3.94Å; I106-L378 HydrophobicContact CG1-CD2 4.43Å; I106-L379 HydrophobicContact CB-CD2 4.23Å; I106-L379 HydrophobicContact CG2-CD1 4.39Å; I106-L379 HydrophobicContact CG2-CD2 4.04Å; I106-L379 HydrophobicContact CG2-CG 4.09Å; I106-F382 HydrophobicContact CD1-CD2 3.95Å; I106-F382 HydrophobicContact CD1-CE2 3.36Å; I106-F382 HydrophobicContact CD1-CZ 4.18Å
107L90.3Very high87.3Confident9 Ų933.4 Ų33.45%0.04718%0.184CC..Iπ-helixtrans-59.4-52.3177.3-172.579.6000111S103 V104 M105 L109 V111 I112 I290 I293 V294S103-L107 WeakPolarHBondContact O-CB 3.42Å; S103-L107 PolarHBondContact O-N 3.3Å; V104-L107 WeakPolarHBondContact O-CB 3.41Å; V104-L107 PolarHBondContact O-N 2.99Å; M105-L107 VanDerWaalsContact C-N 3.31Å; M105-L107 PolarHBondContact O-N 3.3Å; L107-L109 VanDerWaalsContact C-N 3.29Å; L107-L109 PolarHBondContact O-N 3.49Å; L107-V111 HydrophobicContact CD1-CB 3.73Å; L107-V111 HydrophobicContact CD1-CG1 3.91Å; L107-V111 HydrophobicContact CD1-CG2 3.88Å; L107-V111 HydrophobicContact CG-CB 4.31Å; L107-V111 WeakPolarHBondContact O-CA 2.86Å; L107-V111 WeakPolarHBondContact O-CB 3.2Å; L107-V111 PolarHBondContact O-N 3.39Å; L107-I112 PolarHBondContact O-N 3.39Å; L107-I290 HydrophobicContact CD1-CG2 4.39Å; L107-I293 HydrophobicContact CD1-CB 4.01Å; L107-I293 HydrophobicContact CD1-CG2 3.75Å; L107-I293 HydrophobicContact CD2-CB 4.15Å; L107-I293 HydrophobicContact CD2-CD1 3.6Å; L107-I293 HydrophobicContact CD2-CG1 4.46Å; L107-I293 HydrophobicContact CD2-CG2 4.03Å; L107-I293 HydrophobicContact CG-CG2 4.11Å; L107-V294 HydrophobicContact CD1-CG2 4.04Å
108V85.9Confident87.2Confident47 Ų4727.1 Ų27.129%0.28516%0.156SC..Iπ-helixtrans-63.2-33.6-179.1171.50000112.4V104 M105 I112 P113 L205V104-V108 HydrophobicContact CG1-CG2 4.25Å; V104-V108 WeakPolarHBondContact O-CB 3.31Å; V104-V108 VanDerWaalsContact O-CG2 3.29Å; V104-V108 WeakPolarHBondContact O-CG2 3.49Å; V104-V108 PolarHBondContact O-N 3.21Å; M105-V108 PolarHBondContact O-N 3.28Å; V108-I112 HydrophobicContact CB-CD1 4.33Å; V108-I112 HydrophobicContact CG2-CD1 3.89Å; V108-P113 WeakPolarHBondContact O-CD 3.45Å; V108-L205 HydrophobicContact CG1-CD2 3.43Å; V108-L205 VanDerWaalsContact CG1-CD2 3.43Å
109L81.9Confident87Confident20 Ų2027.2 Ų27.211%0.10516%0.158CC..Iπ-helixtrans-96.3-9.7-173.7-67.4174.8000115.3M105 I106 L107 K209M105-L109 HydrophobicContact CG-CD1 3.67Å; M105-L109 HydrophobicContact CG-CG 4.45Å; M105-L109 VanDerWaalsContact O-CB 3.27Å; M105-L109 WeakPolarHBondContact O-CB 3.27Å; M105-L109 WeakPolarHBondContact O-CG 3.24Å; M105-L109 PolarHBondContact O-N 2.97Å; M105-L109 HydrophobicContact SD-CD1 3.45Å; M105-L109 WeakPolarHBondContact SD-CD1 3.39Å; M105-L109 HydrophobicContact SD-CG 3.9Å; I106-L109 PolarHBondContact O-N 2.84Å; L107-L109 VanDerWaalsContact C-N 3.29Å; L107-L109 PolarHBondContact O-N 3.49Å; L109-K209 HydrophobicContact CB-CD 4.08Å; L109-K209 HydrophobicContact CD1-CB 4.35Å; L109-K209 HydrophobicContact CD1-CD 4.17Å; L109-K209 HydrophobicContact CD1-CG 3.77Å; L109-K209 HydrophobicContact CD2-CB 3.81Å; L109-K209 HydrophobicContact CD2-CD 4.22Å; L109-K209 HydrophobicContact CD2-CG 4.03Å; L109-K209 HydrophobicContact CG-CD 4.41Å; L109-K209 HydrophobicContact CG-CG 4.34Å; L109-K209 PolarHBondContact O-NZ 3.09Å
110N85.1Confident86.5Confident45 Ų4526.9 Ų26.924%0.24116%0.161CC..Iπ-helixtrans-131.7-49-177.8-55.7-81.6000111.8I106 N114 K209 V375I106-N110 WeakPolarHBondContact O-CB 3.43Å; I106-N110 PolarHBondContact O-N 2.87Å; I106-N110 PolarHBondContact O-ND2 3.46Å; N110-N114 WeakPolarHBondContact O-CB 2.77Å; N110-N114 PolarHBondContact O-N 3.4Å; N110-K209 PolarHBondContact OD1-NZ 2.98Å; N110-V375 HydrophobicContact CB-CG1 4.18Å; N110-V375 HydrophobicContact CB-CG2 4.01Å
111V89.9Confident86Confident6 Ų625.8 Ų25.84%0.03616%0.155CC..Iπ-helixtrans-78.6-49.7-175.3-176.70000110.9L107 N114 I115 I293 V294 D297 V375L107-V111 HydrophobicContact CD1-CB 3.73Å; L107-V111 HydrophobicContact CD1-CG1 3.91Å; L107-V111 HydrophobicContact CD1-CG2 3.88Å; L107-V111 HydrophobicContact CG-CB 4.31Å; L107-V111 WeakPolarHBondContact O-CA 2.86Å; L107-V111 WeakPolarHBondContact O-CB 3.2Å; L107-V111 PolarHBondContact O-N 3.39Å; V111-N114 WeakPolarHBondContact O-CA 3.29Å; V111-N114 WeakPolarHBondContact O-CB 3.3Å; V111-N114 PolarHBondContact O-N 2.95Å; V111-I115 HydrophobicContact CG1-CD1 3.98Å; V111-I115 HydrophobicContact CG1-CG1 4.42Å; V111-I115 WeakPolarHBondContact O-CG1 3.26Å; V111-I115 PolarHBondContact O-N 2.92Å; V111-I293 HydrophobicContact CG1-CG2 4.33Å; V111-V294 HydrophobicContact CG2-CG2 4.34Å; V111-D297 HydrophobicContact CG1-CB 3.76Å; V111-V375 HydrophobicContact CG2-CG1 4.05Å
112I87.3Confident85.6Confident60 Ų6025 Ų2531%0.30815%0.148SC..Hα-helixtrans-58.1-48.6179.7-62.1-176.2000111.7L107 V108 N114 I115 T116L107-I112 PolarHBondContact O-N 3.39Å; V108-I112 HydrophobicContact CB-CD1 4.33Å; V108-I112 HydrophobicContact CG2-CD1 3.89Å; I112-N114 PolarHBondContact O-N 3.29Å; I112-I115 WeakPolarHBondContact O-CB 3.43Å; I112-I115 PolarHBondContact O-N 3.36Å; I112-T116 PolarHBondContact O-N 2.97Å; I112-T116 PolarHBondContact O-OG1 3Å
113P84.3Confident85.1Confident24 Ų2425.7 Ų25.716%0.15615%0.154CC..Hα-helixtrans-63.4-30.1176.9-23.935.3000113.1V108 T116 V117V108-P113 WeakPolarHBondContact O-CD 3.45Å; P113-T116 PolarHBondContact O-N 2.9Å; P113-V117 WeakPolarHBondContact O-CG2 3.42Å; P113-V117 PolarHBondContact O-N 3.34Å
114N87.7Confident84.4Confident13 Ų1329.3 Ų29.37%0.0717%0.167CC..Hα-helixtrans-67.3-47.7175.3-160.668000110.9N110 V111 I112 T116 V117 N118 D297 S369N110-N114 WeakPolarHBondContact O-CB 2.77Å; N110-N114 PolarHBondContact O-N 3.4Å; V111-N114 WeakPolarHBondContact O-CA 3.29Å; V111-N114 WeakPolarHBondContact O-CB 3.3Å; V111-N114 PolarHBondContact O-N 2.95Å; I112-N114 PolarHBondContact O-N 3.29Å; N114-T116 VanDerWaalsContact C-N 3.33Å; N114-T116 PolarHBondContact O-N 2.91Å; N114-V117 PolarHBondContact O-N 3.32Å; N114-N118 PolarHBondContact ND2-ND2 3.37Å; N114-N118 PolarHBondContact O-N 3.33Å; N114-N118 PolarHBondContact O-ND2 2.84Å; N114-D297 VanDerWaalsContact ND2-CG 3.3Å; N114-D297 PolarHBondContact ND2-OD1 3.48Å; N114-D297 PolarHBondContact ND2-OD2 3.13Å; N114-S369 PolarHBondContact ND2-O 2.88Å; N114-S369 WeakPolarHBondContact OD1-CB 3.31Å; N114-S369 PolarHBondContact OD1-O 3.08Å; N114-S369 PolarHBondContact OD1-OG 3.42Å
115I88.2Confident83.7Confident23 Ų2326.7 Ų26.712%0.11815%0.151CC..Hα-helixtrans-55.5-49.6171.5-63.9168.6000109.6V111 I112 V117 N118 V119 I293 D297V111-I115 HydrophobicContact CG1-CD1 3.98Å; V111-I115 HydrophobicContact CG1-CG1 4.42Å; V111-I115 WeakPolarHBondContact O-CG1 3.26Å; V111-I115 PolarHBondContact O-N 2.92Å; I112-I115 WeakPolarHBondContact O-CB 3.43Å; I112-I115 PolarHBondContact O-N 3.36Å; I115-V117 VanDerWaalsContact C-N 3.29Å; I115-V117 PolarHBondContact O-N 2.96Å; I115-N118 PolarHBondContact O-N 2.63Å; I115-N118 VanDerWaalsContact O-N 3.14Å; I115-V119 HydrophobicContact CG2-CG2 3.91Å; I115-V119 WeakPolarHBondContact O-CB 3.44Å; I115-V119 VanDerWaalsContact O-CG2 3.31Å; I115-V119 WeakPolarHBondContact O-CG2 3.38Å; I115-V119 PolarHBondContact O-N 3.4Å; I115-I293 HydrophobicContact CD1-CG2 4.04Å; I115-D297 HydrophobicContact CD1-CB 3.99Å; I115-D297 HydrophobicContact CG1-CB 3.58Å; I115-D297 WeakPolarHBondContact CG1-OD1 3.4Å; I115-D297 PolarHBondContact N-OD1 3.26Å
116T83.1Confident83.2Confident25 Ų2530.6 Ų30.615%0.15317%0.172CC..Hα-helixtrans-56.6-41179.3-57.20000112.1I112 P113 N114 G120 F198I112-T116 PolarHBondContact O-N 2.97Å; I112-T116 PolarHBondContact O-OG1 3Å; P113-T116 PolarHBondContact O-N 2.9Å; N114-T116 VanDerWaalsContact C-N 3.33Å; N114-T116 PolarHBondContact O-N 2.91Å; T116-G120 PolarHBondContact O-N 2.9Å; T116-F198 HydrophobicContact CG2-CB 4.4Å; T116-F198 HydrophobicContact CG2-CD1 3.5Å; T116-F198 HydrophobicContact CG2-CE1 4.21Å; T116-F198 HydrophobicContact CG2-CG 4.37Å
117V82.4Confident82.5Confident28 Ų2832.3 Ų32.317%0.1718%0.179CC..Hα-helixtrans-67.1-45176.5168.40000111.4P113 N114 I115 G120 A121 K202P113-V117 WeakPolarHBondContact O-CG2 3.42Å; P113-V117 PolarHBondContact O-N 3.34Å; N114-V117 PolarHBondContact O-N 3.32Å; I115-V117 VanDerWaalsContact C-N 3.29Å; I115-V117 PolarHBondContact O-N 2.96Å; V117-G120 CarbonylContact O-C 3.59Å; V117-G120 PolarHBondContact O-N 3.42Å; V117-A121 PolarHBondContact O-N 3.24Å; V117-K202 HydrophobicContact CG2-CD 4.21Å
118N87.4Confident81.8Confident0 Ų033 Ų330%018%0.184CC..Hα-helixtrans-69.9-38.1-179.9-66.8-31.1000112.2N114 I115 G120 A121 V122 V300 V304 S369N114-N118 PolarHBondContact ND2-ND2 3.37Å; N114-N118 PolarHBondContact O-N 3.33Å; N114-N118 PolarHBondContact O-ND2 2.84Å; I115-N118 PolarHBondContact O-N 2.63Å; I115-N118 VanDerWaalsContact O-N 3.14Å; N118-G120 VanDerWaalsContact C-N 3.34Å; N118-A121 WeakPolarHBondContact O-CA 3.25Å; N118-A121 VanDerWaalsContact O-CB 3.27Å; N118-A121 WeakPolarHBondContact O-CB 3.45Å; N118-A121 PolarHBondContact O-N 3.15Å; N118-V122 WeakPolarHBondContact O-CG2 3.26Å; N118-V122 PolarHBondContact O-N 3.48Å; N118-V300 HydrophobicContact CB-CG1 3.62Å; N118-V304 HydrophobicContact CB-CG2 4.29Å; N118-V304 WeakPolarHBondContact O-CG2 3.09Å; N118-S369 PolarHBondContact ND2-O 3.06Å; N118-S369 PolarHBondContact OD1-N 3.19Å; N118-S369 PolarHBondContact OD1-O 3.25Å
119V83.3Confident81.3Confident48 Ų4831.7 Ų31.729%0.29118%0.176SC..Hα-helixtrans-64.2-40.5170.4173.30000110.6I115 A121 V122 A123 F198 V300I115-V119 HydrophobicContact CG2-CG2 3.91Å; I115-V119 WeakPolarHBondContact O-CB 3.44Å; I115-V119 VanDerWaalsContact O-CG2 3.31Å; I115-V119 WeakPolarHBondContact O-CG2 3.38Å; I115-V119 PolarHBondContact O-N 3.4Å; V119-A121 VanDerWaalsContact C-N 3.26Å; V119-A121 PolarHBondContact O-N 3.26Å; V119-V122 WeakPolarHBondContact O-CB 3.35Å; V119-V122 PolarHBondContact O-N 2.64Å; V119-V122 VanDerWaalsContact O-N 3.17Å; V119-A123 WeakPolarHBondContact O-CB 3.31Å; V119-A123 PolarHBondContact O-N 3.41Å; V119-F198 HydrophobicContact CB-CE1 4.14Å; V119-F198 HydrophobicContact CG1-CE1 3.65Å; V119-F198 HydrophobicContact CG1-CZ 3.84Å; V119-V300 HydrophobicContact CG2-CG1 3.85Å
120G79.1Confident80.8Confident16 Ų1632.1 Ų32.117%0.16518%0.182CC..Hα-helixtrans-62-33.6172.600000112.6T116 V117 N118 R124T116-G120 PolarHBondContact O-N 2.9Å; V117-G120 CarbonylContact O-C 3.59Å; V117-G120 PolarHBondContact O-N 3.42Å; N118-G120 VanDerWaalsContact C-N 3.34Å; G120-R124 WeakPolarHBondContact O-CB 3.36Å; G120-R124 WeakPolarHBondContact O-CG 3.32Å; G120-R124 PolarHBondContact O-N 3.3Å; G120-R124 PolarHBondContact O-NE 2.98Å
121A80.1Confident80.2Confident0 Ų032.3 Ų32.30%018%0.182CC..Hα-helixtrans-64.2-48.5169.700000111.8V117 N118 V119 A123 R124 I125 V304 V366V117-A121 PolarHBondContact O-N 3.24Å; N118-A121 WeakPolarHBondContact O-CA 3.25Å; N118-A121 VanDerWaalsContact O-CB 3.27Å; N118-A121 WeakPolarHBondContact O-CB 3.45Å; N118-A121 PolarHBondContact O-N 3.15Å; V119-A121 VanDerWaalsContact C-N 3.26Å; V119-A121 PolarHBondContact O-N 3.26Å; A121-A123 VanDerWaalsContact C-N 3.32Å; A121-A123 PolarHBondContact O-N 3.2Å; A121-R124 PolarHBondContact O-N 3.33Å; A121-I125 WeakPolarHBondContact O-CG1 3.49Å; A121-I125 PolarHBondContact O-N 3.41Å; A121-V304 HydrophobicContact CB-CG1 4.18Å; A121-V304 HydrophobicContact CB-CG2 4.38Å; A121-V366 HydrophobicContact CB-CG1 3.22Å
122V79.4Confident79.4Confident27 Ų2732.2 Ų32.216%0.16418%0.182CC..Hα-helixtrans-56.3-46.8173.81790000111.2N118 V119 R124 I125 L126 I303 V304 I307N118-V122 WeakPolarHBondContact O-CG2 3.26Å; N118-V122 PolarHBondContact O-N 3.48Å; V119-V122 WeakPolarHBondContact O-CB 3.35Å; V119-V122 PolarHBondContact O-N 2.64Å; V119-V122 VanDerWaalsContact O-N 3.17Å; V122-R124 VanDerWaalsContact C-N 3.33Å; V122-R124 PolarHBondContact O-N 3.06Å; V122-I125 PolarHBondContact O-N 2.98Å; V122-L126 HydrophobicContact CG1-CD1 3.93Å; V122-L126 HydrophobicContact CG1-CG 4.26Å; V122-L126 WeakPolarHBondContact O-CG 3.42Å; V122-L126 PolarHBondContact O-N 3.05Å; V122-I303 HydrophobicContact CG2-CG2 4.49Å; V122-V304 HydrophobicContact CG2-CG2 3.41Å; V122-V304 VanDerWaalsContact CG2-CG2 3.41Å; V122-I307 HydrophobicContact CG1-CD1 4.39Å
123A76.6Confident78.6Confident35 Ų3531.7 Ų31.729%0.28918%0.178SC..Hα-helixtrans-62.5-39.2179.800000112.2V119 A121 L126 K127 I194V119-A123 WeakPolarHBondContact O-CB 3.31Å; V119-A123 PolarHBondContact O-N 3.41Å; A121-A123 VanDerWaalsContact C-N 3.32Å; A121-A123 PolarHBondContact O-N 3.2Å; A123-L126 PolarHBondContact O-N 3.41Å; A123-K127 VanDerWaalsContact O-CB 3.32Å; A123-K127 WeakPolarHBondContact O-CB 3.35Å; A123-K127 PolarHBondContact O-N 2.98Å; A123-I194 HydrophobicContact CB-CG2 4.4Å
124R76.4Confident77.9Confident76 Ų7631.7 Ų31.729%0.28718%0.178SC..Hα-helixtrans-65.9-40.2174.2-77.9-175.3-69.8-177.24.5112.3G120 A121 V122 K127 C128 T367G120-R124 WeakPolarHBondContact O-CB 3.36Å; G120-R124 WeakPolarHBondContact O-CG 3.32Å; G120-R124 PolarHBondContact O-N 3.3Å; G120-R124 PolarHBondContact O-NE 2.98Å; A121-R124 PolarHBondContact O-N 3.33Å; V122-R124 VanDerWaalsContact C-N 3.33Å; V122-R124 PolarHBondContact O-N 3.06Å; R124-K127 WeakPolarHBondContact O-CB 3.19Å; R124-K127 PolarHBondContact O-N 3.33Å; R124-C128 VanDerWaalsContact O-CB 3.28Å; R124-C128 WeakPolarHBondContact O-CB 3.48Å; R124-C128 PolarHBondContact O-N 2.98Å; R124-C128 PolarHBondContact O-SG 3.36Å; R124-C128 VanDerWaalsContact O-SG 3.35Å; R124-T367 PolarHBondContact NH2-OG1 3Å
125I76.8Confident77Confident10 Ų1037.2 Ų37.25%0.05120%0.197CC..Hα-helixtrans-62.9-50.2173.9-64.4163.6000110.1A121 V122 K127 C128 T129 V304 I307 V308 V311 V366A121-I125 WeakPolarHBondContact O-CG1 3.49Å; A121-I125 PolarHBondContact O-N 3.41Å; V122-I125 PolarHBondContact O-N 2.98Å; I125-K127 VanDerWaalsContact C-N 3.31Å; I125-K127 PolarHBondContact O-N 3.1Å; I125-C128 WeakPolarHBondContact O-CB 3.47Å; I125-C128 PolarHBondContact O-N 3.13Å; I125-C128 VanDerWaalsContact O-N 3.11Å; I125-T129 WeakPolarHBondContact O-CB 3.45Å; I125-T129 PolarHBondContact O-N 3.36Å; I125-T129 PolarHBondContact O-OG1 3.18Å; I125-V304 HydrophobicContact CD1-CG1 4.28Å; I125-I307 HydrophobicContact CD1-CG2 4.23Å; I125-I307 HydrophobicContact CG2-CG2 3.81Å; I125-V308 HydrophobicContact CD1-CG2 3.53Å; I125-V311 HydrophobicContact CG2-CB 4.38Å; I125-V311 HydrophobicContact CG2-CG1 4.38Å; I125-V311 HydrophobicContact CG2-CG2 3.78Å; I125-V366 HydrophobicContact CD1-CG1 4.23Å; I125-V366 HydrophobicContact CD1-CG2 4.36Å; I125-V366 HydrophobicContact CG1-CG1 4.3Å; I125-V366 HydrophobicContact CG1-CG2 3.67Å
126L75.3Confident76.1Confident109 Ų10938 Ų3857%0.57120%0.203SC*.Hα-helixtrans-58.3-42.9177.7-71.8173.4000112.1V122 A123 A130V122-L126 HydrophobicContact CG1-CD1 3.93Å; V122-L126 HydrophobicContact CG1-CG 4.26Å; V122-L126 WeakPolarHBondContact O-CG 3.42Å; V122-L126 PolarHBondContact O-N 3.05Å; A123-L126 PolarHBondContact O-N 3.41Å; L126-A130 WeakPolarHBondContact O-CB 3.26Å; L126-A130 PolarHBondContact O-N 3.16Å
127K73Confident75.4Confident58 Ų5840.1 Ų40.125%0.25221%0.213SC..Hα-helixtrans-54.6-54.7172.2160.1-178.2-164172.50110.4A123 R124 I125 T129 A130 E131 I191A123-K127 VanDerWaalsContact O-CB 3.32Å; A123-K127 WeakPolarHBondContact O-CB 3.35Å; A123-K127 PolarHBondContact O-N 2.98Å; R124-K127 WeakPolarHBondContact O-CB 3.19Å; R124-K127 PolarHBondContact O-N 3.33Å; I125-K127 VanDerWaalsContact C-N 3.31Å; I125-K127 PolarHBondContact O-N 3.1Å; K127-T129 PolarHBondContact O-N 3.39Å; K127-A130 CarbonylContact O-C 3.56Å; K127-A130 PolarHBondContact O-N 2.94Å; K127-E131 WeakPolarHBondContact CE-OE1 3.45Å; K127-E131 HydrophobicContact CG-CG 4.33Å; K127-E131 IonicContact NZ-OE1 3.8Å; K127-E131 WeakPolarHBondContact O-CB 3.27Å; K127-E131 WeakPolarHBondContact O-CG 3.43Å; K127-E131 PolarHBondContact O-N 3.17Å; K127-I191 HydrophobicContact CB-CD1 4.47Å; K127-I191 HydrophobicContact CB-CG2 3.83Å; K127-I191 HydrophobicContact CD-CG2 3.17Å; K127-I191 HydrophobicContact CG-CD1 4.2Å; K127-I191 HydrophobicContact CG-CG2 3.43Å; K127-I191 VanDerWaalsContact CG-CG2 3.43Å
128C74.5Confident74.6Confident22 Ų2240.1 Ų40.115%0.14921%0.212CC..Hα-helixtrans-60.2-47.4-176.4-88.50000112.8R124 I125 A130 E131 G132 C364R124-C128 VanDerWaalsContact O-CB 3.28Å; R124-C128 WeakPolarHBondContact O-CB 3.48Å; R124-C128 PolarHBondContact O-N 2.98Å; R124-C128 PolarHBondContact O-SG 3.36Å; R124-C128 VanDerWaalsContact O-SG 3.35Å; I125-C128 WeakPolarHBondContact O-CB 3.47Å; I125-C128 PolarHBondContact O-N 3.13Å; I125-C128 VanDerWaalsContact O-N 3.11Å; C128-A130 VanDerWaalsContact C-N 3.31Å; C128-A130 PolarHBondContact O-N 3.45Å; C128-E131 PolarHBondContact O-N 2.81Å; C128-G132 PolarHBondContact O-N 2.87Å; C128-C364 HydrophobicContact CB-CB 3.79Å; C128-C364 WeakPolarHBondContact CB-SG 3.5Å; C128-C364 WeakPolarHBondContact SG-CB 3.45Å; C128-C364 CovalentContact SG-SG 1.98Å; C128-C364 PolarHBondContact SG-SG 2.72Å
129T75.1Confident73.4Confident20 Ų2045.7 Ų45.712%0.12324%0.242CC..Hα-helixtrans-60.3-44.1175.1-57.40000110.4I125 K127 G132 F133 V311 P359I125-T129 WeakPolarHBondContact O-CB 3.45Å; I125-T129 PolarHBondContact O-N 3.36Å; I125-T129 PolarHBondContact O-OG1 3.18Å; K127-T129 PolarHBondContact O-N 3.39Å; T129-G132 PolarHBondContact O-N 2.85Å; T129-F133 HydrophobicContact CG2-CD2 3.63Å; T129-F133 HydrophobicContact CG2-CE2 3.34Å; T129-F133 HydrophobicContact CG2-CZ 4.32Å; T129-F133 WeakPolarHBondContact O-CB 3.19Å; T129-F133 WeakPolarHBondContact O-CD2 3.44Å; T129-F133 WeakPolarHBondContact O-CG 3.25Å; T129-F133 PolarHBondContact O-N 3.21Å; T129-V311 VanDerWaalsContact OG1-CG1 3.23Å; T129-V311 WeakPolarHBondContact OG1-CG1 3.34Å; T129-P359 HydrophobicContact CG2-CB 4.18Å
130A72.8Confident72.4Confident29 Ų2944.1 Ų44.124%0.2423%0.233CC..Hα-helixtrans-67.2-38176.700000112.8L126 K127 C128 T134L126-A130 WeakPolarHBondContact O-CB 3.26Å; L126-A130 PolarHBondContact O-N 3.16Å; K127-A130 CarbonylContact O-C 3.56Å; K127-A130 PolarHBondContact O-N 2.94Å; C128-A130 VanDerWaalsContact C-N 3.31Å; C128-A130 PolarHBondContact O-N 3.45Å; A130-T134 WeakPolarHBondContact O-CB 3.48Å; A130-T134 PolarHBondContact O-N 3.24Å; A130-T134 PolarHBondContact O-OG1 2.98Å
131E72.1Confident71.7Confident50 Ų5046.4 Ų46.423%0.23425%0.246CC..Hα-helixtrans-67.4-42.5175.1-79.9-176-176.400111.2K127 C128 T134 R135K127-E131 WeakPolarHBondContact CE-OE1 3.45Å; K127-E131 HydrophobicContact CG-CG 4.33Å; K127-E131 IonicContact NZ-OE1 3.8Å; K127-E131 WeakPolarHBondContact O-CB 3.27Å; K127-E131 WeakPolarHBondContact O-CG 3.43Å; K127-E131 PolarHBondContact O-N 3.17Å; C128-E131 PolarHBondContact O-N 2.81Å; E131-T134 PolarHBondContact O-N 2.97Å; E131-R135 VanDerWaalsContact O-CB 3.28Å; E131-R135 WeakPolarHBondContact O-CB 3.43Å; E131-R135 WeakPolarHBondContact O-CG 3.25Å; E131-R135 PolarHBondContact O-N 2.72Å
132G71.7Confident71.3Confident4 Ų453.3 Ų53.34%0.04128%0.279CS..Hα-helixtrans-59.5-52.4172.400000110.8C128 T129 T134 R135 T136C128-G132 PolarHBondContact O-N 2.87Å; T129-G132 PolarHBondContact O-N 2.85Å; G132-T134 PolarHBondContact O-N 3.36Å; G132-R135 PolarHBondContact O-N 3.28Å; G132-T136 PolarHBondContact O-N 3.19Å; G132-T136 PolarHBondContact O-OG1 3.18Å; G132-T136 VanDerWaalsContact O-OG1 3.05Å
133F71.8Confident71Confident48 Ų4852.7 Ų52.721%0.21128%0.276CS..Hα-helixtrans-57.8-46.3175.4-78.2-46.3000112.7T129 T136 L137 F314 F357 P359T129-F133 HydrophobicContact CG2-CD2 3.63Å; T129-F133 HydrophobicContact CG2-CE2 3.34Å; T129-F133 HydrophobicContact CG2-CZ 4.32Å; T129-F133 WeakPolarHBondContact O-CB 3.19Å; T129-F133 WeakPolarHBondContact O-CD2 3.44Å; T129-F133 WeakPolarHBondContact O-CG 3.25Å; T129-F133 PolarHBondContact O-N 3.21Å; F133-T136 PolarHBondContact O-N 3.23Å; F133-L137 WeakPolarHBondContact O-CA 3.12Å; F133-L137 WeakPolarHBondContact O-CB 3.38Å; F133-L137 PolarHBondContact O-N 3.34Å; F133-F314 HydrophobicContact CE1-CE1 4.4Å; F133-F314 AromaticContact CZ-CD1 3.91Å; F133-F314 HydrophobicContact CZ-CD1 3.91Å; F133-F314 AromaticContact CZ-CE1 3.75Å; F133-F314 HydrophobicContact CZ-CE1 3.75Å; F133-F314 HydrophobicContact CZ-CZ 4.47Å; F133-F357 AromaticContact CD1-CD2 3.33Å; F133-F357 HydrophobicContact CD1-CD2 3.33Å; F133-F357 AromaticContact CD1-CE2 3.55Å; F133-F357 HydrophobicContact CD1-CE2 3.55Å; F133-F357 AromaticContact CE1-CD2 3.53Å; F133-F357 HydrophobicContact CE1-CD2 3.53Å; F133-F357 AromaticContact CE1-CE2 3.53Å; F133-F357 HydrophobicContact CE1-CE2 3.53Å; F133-F357 HydrophobicContact CG-CD2 4.48Å; F133-F357 HydrophobicContact CZ-CE2 4.49Å; F133-P359 HydrophobicContact CD1-CB 4.5Å; F133-P359 HydrophobicContact CE1-CB 4.05Å; F133-P359 HydrophobicContact CE1-CG 4.1Å; F133-P359 HydrophobicContact CE2-CB 4.25Å; F133-P359 HydrophobicContact CZ-CB 3.9Å; F133-P359 HydrophobicContact CZ-CG 3.95Å
134T69.7Low70.9Confident25 Ų2555.6 Ų55.615%0.15328%0.282CS..Hα-helixtrans-65.7-40.1179.1-60.80000110.6A130 E131 G132 L138A130-T134 WeakPolarHBondContact O-CB 3.48Å; A130-T134 PolarHBondContact O-N 3.24Å; A130-T134 PolarHBondContact O-OG1 2.98Å; E131-T134 PolarHBondContact O-N 2.97Å; G132-T134 PolarHBondContact O-N 3.36Å; T134-L138 HydrophobicContact CG2-CD1 3.26Å; T134-L138 HydrophobicContact CG2-CG 3.67Å; T134-L138 WeakPolarHBondContact O-CA 3.26Å; T134-L138 WeakPolarHBondContact O-CB 3.27Å; T134-L138 WeakPolarHBondContact O-CG 3.22Å; T134-L138 PolarHBondContact O-N 3.09Å
135R69.1Low70.9Confident128 Ų12854.5 Ų54.548%0.48328%0.282SS..Hα-helixtrans-63.3-50176.2-78.5176.7-174.91785.5110.8E131 G132 N139E131-R135 VanDerWaalsContact O-CB 3.28Å; E131-R135 WeakPolarHBondContact O-CB 3.43Å; E131-R135 WeakPolarHBondContact O-CG 3.25Å; E131-R135 PolarHBondContact O-N 2.72Å; G132-R135 PolarHBondContact O-N 3.28Å; R135-N139 WeakPolarHBondContact O-CB 3.42Å; R135-N139 PolarHBondContact O-N 3.45Å
136T69.1Low70.9Confident40 Ų4057.6 Ų57.625%0.24530%0.296CS..Hα-helixtrans-72.5-33.4-178.1-40.30000112.5G132 F133 F357 N358G132-T136 PolarHBondContact O-N 3.19Å; G132-T136 PolarHBondContact O-OG1 3.18Å; G132-T136 VanDerWaalsContact O-OG1 3.05Å; F133-T136 PolarHBondContact O-N 3.23Å; T136-F357 HydrophobicContact CG2-CB 3.86Å; T136-N358 PolarHBondContact OG1-O 3.42Å
137L68.8Low71.1Confident69 Ų6952.9 Ų52.936%0.36127%0.273SS..Hα-helixtrans-70.9-49.1174.1-17390000111.7F133 N139 S140 W355 F357F133-L137 WeakPolarHBondContact O-CA 3.12Å; F133-L137 WeakPolarHBondContact O-CB 3.38Å; F133-L137 PolarHBondContact O-N 3.34Å; L137-N139 VanDerWaalsContact C-N 3.3Å; L137-N139 PolarHBondContact O-N 3.34Å; L137-S140 WeakPolarHBondContact O-CB 3.16Å; L137-S140 PolarHBondContact O-N 2.92Å; L137-S140 PolarHBondContact O-OG 3.33Å; L137-W355 HydrophobicContact CD1-CZ2 4.16Å; L137-F357 HydrophobicContact CD1-CD1 4.19Å; L137-F357 HydrophobicContact CD1-CE1 4.38Å
138L64.4Low71.2Confident28 Ų2852.1 Ų52.115%0.14727%0.269CS..Hα-helixtrans-77.2-17.1-179.4-56.2-176.8000112.6T134 S140 V180 V183 R184T134-L138 HydrophobicContact CG2-CD1 3.26Å; T134-L138 HydrophobicContact CG2-CG 3.67Å; T134-L138 WeakPolarHBondContact O-CA 3.26Å; T134-L138 WeakPolarHBondContact O-CB 3.27Å; T134-L138 WeakPolarHBondContact O-CG 3.22Å; T134-L138 PolarHBondContact O-N 3.09Å; L138-S140 PolarHBondContact O-N 3.48Å; L138-V180 HydrophobicContact CB-CB 4.16Å; L138-V180 HydrophobicContact CB-CG1 3.74Å; L138-V180 HydrophobicContact CD1-CB 4.37Å; L138-V180 HydrophobicContact CD1-CG1 3.68Å; L138-V180 HydrophobicContact CD2-CB 4.49Å; L138-V180 HydrophobicContact CD2-CG1 3.24Å; L138-V180 HydrophobicContact CG-CG1 3.67Å; L138-V183 HydrophobicContact CD1-CB 4.29Å; L138-V183 HydrophobicContact CD1-CG1 4.14Å; L138-V183 HydrophobicContact CD2-CG1 4.2Å; L138-R184 HydrophobicContact CD1-CB 4.32Å
139N62.1Low71.3Confident118 Ų11857.1 Ų57.163%0.63129%0.285SS*.THydrogen-bonded Turntrans-80.312.6167.8-158.533.5000112.4R135 L137 S141R135-N139 WeakPolarHBondContact O-CB 3.42Å; R135-N139 PolarHBondContact O-N 3.45Å; L137-N139 VanDerWaalsContact C-N 3.3Å; L137-N139 PolarHBondContact O-N 3.34Å; N139-S141 PolarHBondContact O-N 3.2Å
140S62.5Low71.6Confident14 Ų1457.6 Ų57.610%0.09829%0.287CS..THydrogen-bonded Turntrans-73.830.1171.175.20000113.4L137 L138 E142 P143 F144L137-S140 WeakPolarHBondContact O-CB 3.16Å; L137-S140 PolarHBondContact O-N 2.92Å; L137-S140 PolarHBondContact O-OG 3.33Å; L138-S140 PolarHBondContact O-N 3.48Å; S140-E142 PolarHBondContact O-N 2.86Å; S140-P143 VanDerWaalsContact O-CD 3.23Å; S140-P143 WeakPolarHBondContact O-CD 3.39Å; S140-P143 WeakPolarHBondContact O-CG 3.48Å; S140-F144 PolarHBondContact O-N 3.1Å
141S65.5Low71.8Confident64 Ų6459 Ų5945%0.44829%0.29SS..Hα-helixtrans-60.1-31.6177.761.70000111N139 N145N139-S141 PolarHBondContact O-N 3.2Å; S141-N145 WeakPolarHBondContact O-CB 3.33Å; S141-N145 PolarHBondContact O-N 3.05Å; S141-N145 PolarHBondContact O-ND2 3.5Å
142E70.3Confident72Confident145 Ų14557.1 Ų57.168%0.67828%0.282SS*.Hα-helixtrans-64-57.5-179.9-170.9168.1-15500113.6S140 F144 N145 E146S140-E142 PolarHBondContact O-N 2.86Å; E142-F144 PolarHBondContact O-N 3.03Å; E142-N145 PolarHBondContact O-N 3.38Å; E142-E146 WeakPolarHBondContact O-CB 3.23Å; E142-E146 PolarHBondContact O-N 2.87Å
143P74.6Confident72.2Confident15 Ų1561.8 Ų61.810%0.09730%0.303CS..Hα-helixtrans-66-33.117924-35.4000113.5S140 E146 A147 W355S140-P143 VanDerWaalsContact O-CD 3.23Å; S140-P143 WeakPolarHBondContact O-CD 3.39Å; S140-P143 WeakPolarHBondContact O-CG 3.48Å; P143-E146 PolarHBondContact O-N 3.28Å; P143-A147 VanDerWaalsContact O-CB 3.31Å; P143-A147 WeakPolarHBondContact O-CB 3.32Å; P143-A147 PolarHBondContact O-N 3.42Å; P143-W355 HydrophobicContact CB-CE3 4.38Å; P143-W355 HydrophobicContact CG-CB 4.14Å; P143-W355 HydrophobicContact CG-CD2 4.23Å; P143-W355 HydrophobicContact CG-CE3 4.27Å; P143-W355 HydrophobicContact CG-CG 4.2Å
144F73.9Confident72.4Confident95 Ų9562.3 Ų62.342%0.41731%0.306SS..Hα-helixtrans-68.2-42.1174.2-91.6-84000112.2S140 E142 E146 K148 I321S140-F144 PolarHBondContact O-N 3.1Å; E142-F144 PolarHBondContact O-N 3.03Å; F144-E146 VanDerWaalsContact C-N 3.33Å; F144-K148 WeakPolarHBondContact O-CB 3.28Å; F144-K148 PolarHBondContact O-N 3.26Å; F144-I321 HydrophobicContact CD1-CD1 4.26Å; F144-I321 HydrophobicContact CD2-CD1 4.04Å; F144-I321 HydrophobicContact CE1-CD1 3.76Å; F144-I321 HydrophobicContact CE2-CD1 3.52Å; F144-I321 HydrophobicContact CG-CD1 4.4Å; F144-I321 HydrophobicContact CZ-CD1 3.37Å
145N75.4Confident72.5Confident53 Ų5361.8 Ų61.828%0.28330%0.304SS..Hα-helixtrans-69.4-33.7175.9-75.8-44.1000111.7S141 E142 R149S141-N145 WeakPolarHBondContact O-CB 3.33Å; S141-N145 PolarHBondContact O-N 3.05Å; S141-N145 PolarHBondContact O-ND2 3.5Å; E142-N145 PolarHBondContact O-N 3.38Å; N145-R149 WeakPolarHBondContact O-CB 3.44Å; N145-R149 VanDerWaalsContact O-CG 3.3Å; N145-R149 WeakPolarHBondContact O-CG 3.39Å; N145-R149 PolarHBondContact O-N 2.92Å
146E78Confident72.5Confident76 Ų7658.2 Ų58.236%0.35529%0.294SS..Hα-helixtrans-65.5-48.8173.1-166.4180172.400111.3E142 P143 F144 K148 R149 D150 Y353E142-E146 WeakPolarHBondContact O-CB 3.23Å; E142-E146 PolarHBondContact O-N 2.87Å; P143-E146 PolarHBondContact O-N 3.28Å; F144-E146 VanDerWaalsContact C-N 3.33Å; E146-K148 VanDerWaalsContact C-N 3.27Å; E146-K148 PolarHBondContact O-N 3.46Å; E146-R149 PolarHBondContact O-N 3.49Å; E146-R149 VanDerWaalsContact O-N 3.13Å; E146-D150 WeakPolarHBondContact O-CB 3.42Å; E146-D150 PolarHBondContact O-N 3.13Å; E146-Y353 HydrophobicContact CB-CD1 4.42Å; E146-Y353 HydrophobicContact CB-CE1 4.45Å; E146-Y353 HydrophobicContact CG-CD1 4.32Å; E146-Y353 HydrophobicContact CG-CE1 4.1Å
147A78.1Confident72.5Confident10 Ų1064.2 Ų64.28%0.08331%0.312CS..Hα-helixtrans-58.3-39.4175.900000113.2P143 L151 V323 Y353P143-A147 VanDerWaalsContact O-CB 3.31Å; P143-A147 WeakPolarHBondContact O-CB 3.32Å; P143-A147 PolarHBondContact O-N 3.42Å; A147-L151 VanDerWaalsContact O-CB 3.26Å; A147-L151 WeakPolarHBondContact O-CB 3.47Å; A147-L151 PolarHBondContact O-N 3.41Å; A147-L151 VanDerWaalsContact O-N 3.09Å; A147-V323 HydrophobicContact CB-CG2 4.3Å; A147-Y353 HydrophobicContact CB-CD1 4.05Å; A147-Y353 HydrophobicContact CB-CD2 3.6Å; A147-Y353 HydrophobicContact CB-CE1 3.97Å; A147-Y353 HydrophobicContact CB-CE2 3.53Å; A147-Y353 HydrophobicContact CB-CG 3.87Å
148K75.8Confident72.3Confident42 Ų4263.3 Ų63.318%0.18331%0.31CS..Hα-helixtrans-64.6-49.5173.6-177-172.462.4148.50111.6F144 E146 D150 L151 V152 D173F144-K148 WeakPolarHBondContact O-CB 3.28Å; F144-K148 PolarHBondContact O-N 3.26Å; E146-K148 VanDerWaalsContact C-N 3.27Å; E146-K148 PolarHBondContact O-N 3.46Å; K148-D150 PolarHBondContact O-N 3.04Å; K148-L151 PolarHBondContact O-N 3.09Å; K148-V152 VanDerWaalsContact O-CG2 3.3Å; K148-V152 WeakPolarHBondContact O-CG2 3.44Å; K148-V152 PolarHBondContact O-N 2.87Å; K148-D173 WeakPolarHBondContact CE-OD1 3.38Å; K148-D173 PolarHBondContact NZ-O 3.43Å; K148-D173 IonicContact NZ-OD1 3.38Å; K148-D173 PolarHBondContact NZ-OD1 3.35Å
149R77.3Confident72.2Confident126 Ų12664.6 Ų64.648%0.47532%0.315SS..Hα-helixtrans-59.5-46.8-179.5-80.6-172.7-60.8-105.50.6111.4N145 E146 L151 V152 E153N145-R149 WeakPolarHBondContact O-CB 3.44Å; N145-R149 VanDerWaalsContact O-CG 3.3Å; N145-R149 WeakPolarHBondContact O-CG 3.39Å; N145-R149 PolarHBondContact O-N 2.92Å; E146-R149 PolarHBondContact O-N 3.49Å; E146-R149 VanDerWaalsContact O-N 3.13Å; R149-L151 PolarHBondContact O-N 3.08Å; R149-V152 PolarHBondContact O-N 3.37Å; R149-E153 WeakPolarHBondContact O-CB 3.32Å; R149-E153 PolarHBondContact O-N 3.27Å
150D80.3Confident71.9Confident31 Ų3170 Ų7017%0.16633%0.327CS..Hα-helixtrans-64.7-40.7179.9-74.43.9000112E146 K148 V152 E153 E154 F349 K351 Y353E146-D150 WeakPolarHBondContact O-CB 3.42Å; E146-D150 PolarHBondContact O-N 3.13Å; K148-D150 PolarHBondContact O-N 3.04Å; D150-V152 VanDerWaalsContact C-N 3.33Å; D150-V152 PolarHBondContact O-N 3.34Å; D150-E153 PolarHBondContact O-N 2.9Å; D150-E154 VanDerWaalsContact O-CB 3.31Å; D150-E154 WeakPolarHBondContact O-CB 3.36Å; D150-E154 PolarHBondContact O-N 3.26Å; D150-F349 HydrophobicContact CB-CZ 4.11Å; D150-K351 WeakPolarHBondContact OD2-CE 3.23Å; D150-K351 IonicContact OD2-NZ 3.61Å; D150-K351 PolarHBondContact OD2-NZ 2.86Å; D150-Y353 WeakPolarHBondContact CB-OH 3.22Å; D150-Y353 WeakPolarHBondContact OD2-CE1 3.4Å; D150-Y353 PolarHBondContact OD2-OH 2.85Å
151L76.6Confident71.5Confident59 Ų5978.2 Ų78.231%0.30936%0.363SS..Hα-helixtrans-60.9-43.3174.4179.264.1000111.5A147 K148 R149 A155 Y325A147-L151 VanDerWaalsContact O-CB 3.26Å; A147-L151 WeakPolarHBondContact O-CB 3.47Å; A147-L151 PolarHBondContact O-N 3.41Å; A147-L151 VanDerWaalsContact O-N 3.09Å; K148-L151 PolarHBondContact O-N 3.09Å; R149-L151 PolarHBondContact O-N 3.08Å; L151-A155 VanDerWaalsContact O-CB 3.28Å; L151-A155 WeakPolarHBondContact O-CB 3.35Å; L151-A155 PolarHBondContact O-N 3.13Å; L151-A155 VanDerWaalsContact O-N 3.11Å; L151-Y325 HydrophobicContact CD1-CD1 3.35Å; L151-Y325 HydrophobicContact CD1-CE1 3.41Å; L151-Y325 VanDerWaalsContact CD1-CE1 3.41Å; L151-Y325 HydrophobicContact CD1-CG 4.22Å
152V76.4Confident70.9Confident10 Ų1079.2 Ų79.26%0.06136%0.364CS..Hα-helixtrans-70.4-42.8179.11720000111.1K148 R149 D150 A155 I156 D173K148-V152 VanDerWaalsContact O-CG2 3.3Å; K148-V152 WeakPolarHBondContact O-CG2 3.44Å; K148-V152 PolarHBondContact O-N 2.87Å; R149-V152 PolarHBondContact O-N 3.37Å; D150-V152 VanDerWaalsContact C-N 3.33Å; D150-V152 PolarHBondContact O-N 3.34Å; V152-A155 PolarHBondContact O-N 3.49Å; V152-I156 HydrophobicContact CG1-CD1 3.64Å; V152-I156 HydrophobicContact CG1-CG1 4.36Å; V152-I156 WeakPolarHBondContact O-CB 3.41Å; V152-I156 WeakPolarHBondContact O-CD1 3.42Å; V152-I156 WeakPolarHBondContact O-CG1 3.37Å; V152-I156 PolarHBondContact O-N 2.72Å; V152-D173 HydrophobicContact CG1-CB 4.41Å; V152-D173 HydrophobicContact CG2-CB 4.25Å
153E77.1Confident70.2Confident102 Ų10278.8 Ų78.848%0.47737%0.365SS..Hα-helixtrans-62.8-47.1177.8-173.1179.2164.300111.3R149 D150 A155 I156 R157R149-E153 WeakPolarHBondContact O-CB 3.32Å; R149-E153 PolarHBondContact O-N 3.27Å; D150-E153 PolarHBondContact O-N 2.9Å; E153-A155 VanDerWaalsContact C-N 3.33Å; E153-A155 PolarHBondContact O-N 3.27Å; E153-I156 PolarHBondContact O-N 2.93Å; E153-R157 WeakPolarHBondContact O-CG 3.26Å; E153-R157 PolarHBondContact O-N 3.23Å; E153-R157 IonicContact OE1-CZ 3.74Å; E153-R157 IonicContact OE1-NE 3.7Å; E153-R157 PolarHBondContact OE1-NE 3.35Å; E153-R157 IonicContact OE1-NH2 3.66Å; E153-R157 PolarHBondContact OE1-NH2 3.1Å
154E75.4Confident69.4Low58 Ų5881.2 Ų81.227%0.27138%0.383SS..Hα-helixtrans-66.2-37.5-179-16567.5-167.100111.5D150 R157 Y325 I347 F349D150-E154 VanDerWaalsContact O-CB 3.31Å; D150-E154 WeakPolarHBondContact O-CB 3.36Å; D150-E154 PolarHBondContact O-N 3.26Å; E154-R157 PolarHBondContact O-N 3.44Å; E154-Y325 HydrophobicContact CB-CE1 4.48Å; E154-Y325 VanDerWaalsContact CB-OH 3.24Å; E154-Y325 WeakPolarHBondContact CB-OH 3.39Å; E154-Y325 HydrophobicContact CG-CE1 4.5Å; E154-Y325 WeakPolarHBondContact CG-OH 3.25Å; E154-I347 HydrophobicContact CG-CG2 4.29Å; E154-F349 HydrophobicContact CB-CD2 4.11Å; E154-F349 HydrophobicContact CB-CE2 4.37Å; E154-F349 HydrophobicContact CG-CB 4.43Å; E154-F349 HydrophobicContact CG-CD2 3.76Å; E154-F349 HydrophobicContact CG-CE2 4.44Å; E154-F349 HydrophobicContact CG-CG 4.41Å
155A71.9Confident68.7Low15 Ų1580.3 Ų80.312%0.12438%0.381CS..Hα-helixtrans-67.1-35.9173.600000112.8L151 V152 E153 L169L151-A155 VanDerWaalsContact O-CB 3.28Å; L151-A155 WeakPolarHBondContact O-CB 3.35Å; L151-A155 PolarHBondContact O-N 3.13Å; L151-A155 VanDerWaalsContact O-N 3.11Å; V152-A155 PolarHBondContact O-N 3.49Å; E153-A155 VanDerWaalsContact C-N 3.33Å; E153-A155 PolarHBondContact O-N 3.27Å; A155-L169 HydrophobicContact CB-CD1 3.5Å; A155-L169 VanDerWaalsContact CB-CD1 3.5Å
156I70Confident68Low52 Ų5278.6 Ų78.627%0.26737%0.372SS..Hα-helixtrans-68.6-35.9176.2-71.6169.4000111.7V152 E153 V158 V166 R170V152-I156 HydrophobicContact CG1-CD1 3.64Å; V152-I156 HydrophobicContact CG1-CG1 4.36Å; V152-I156 WeakPolarHBondContact O-CB 3.41Å; V152-I156 WeakPolarHBondContact O-CD1 3.42Å; V152-I156 WeakPolarHBondContact O-CG1 3.37Å; V152-I156 PolarHBondContact O-N 2.72Å; E153-I156 PolarHBondContact O-N 2.93Å; I156-V158 PolarHBondContact O-N 3.06Å; I156-V166 HydrophobicContact CG1-CG1 4.12Å; I156-R170 HydrophobicContact CD1-CG 4.08Å
157R69.2Low67.2Low166 Ų16678 Ų7863%0.62637%0.374SS*.Hα-helixtrans-60.1-31.8-178.4-81.9177.4168.9-149.7-1.9113.6E153 E154E153-R157 WeakPolarHBondContact O-CG 3.26Å; E153-R157 PolarHBondContact O-N 3.23Å; E153-R157 IonicContact OE1-CZ 3.74Å; E153-R157 IonicContact OE1-NE 3.7Å; E153-R157 PolarHBondContact OE1-NE 3.35Å; E153-R157 IonicContact OE1-NH2 3.66Å; E153-R157 PolarHBondContact OE1-NH2 3.1Å; E154-R157 PolarHBondContact O-N 3.44Å
158V63.8Low66.5Low51 Ų5182.1 Ų82.131%0.30940%0.395SS..Hα-helixtrans-97.4-26.4-168.6174.90000112.4I156 R160 L346 I347I156-V158 PolarHBondContact O-N 3.06Å; V158-R160 PolarHBondContact O-N 2.94Å; V158-L346 HydrophobicContact CG1-CB 4.47Å; V158-L346 HydrophobicContact CG1-CD2 3.39Å; V158-L346 HydrophobicContact CG1-CG 3.55Å; V158-I347 HydrophobicContact CB-CD1 3.67Å; V158-I347 HydrophobicContact CB-CG1 4.06Å; V158-I347 HydrophobicContact CG1-CD1 3.77Å; V158-I347 HydrophobicContact CG1-CG1 3.79Å; V158-I347 HydrophobicContact CG2-CD1 3.72Å; V158-I347 HydrophobicContact CG2-CG1 3.82Å
159Q62.8Low66.1Low54 Ų5482 Ų8225%0.25240%0.396SS..  trans-107.168.6-172.6-155.7154.723.900112E161 D162 V166Q159-E161 VanDerWaalsContact C-N 3.3Å; Q159-D162 HydrophobicContact CG-CB 3.86Å; Q159-V166 HydrophobicContact CB-CG2 4.1Å; Q159-V166 WeakPolarHBondContact O-CG2 3.32Å
160R54.2Low65.4Low233 Ų23383.2 Ų83.288%0.87940%0.4SS*.SBendtrans-74-19.2176.1-117.9-174.6-151.51727.7113.9V158V158-R160 PolarHBondContact O-N 2.94Å
161E54.5Low64.7Low186 Ų18687.3 Ų87.387%0.86942%0.417SS*.SBendtrans-104.9-25.4-168.8-64.7-176.8170.300114Q159Q159-E161 VanDerWaalsContact C-N 3.3Å
162D53.8Low64.2Low85 Ų8588.2 Ų88.246%0.45542%0.422SS..  trans-105.993.8176.8-95.6-30.6000111.8Q159 S164Q159-D162 HydrophobicContact CG-CB 3.86Å; D162-S164 PolarHBondContact O-N 3.33Å; D162-S164 VanDerWaalsContact O-N 3.11Å
163L54.6Low63.7Low136 Ų13690.7 Ų90.771%0.71244%0.435SS*.Hα-helixtrans-59.7-21.7-178.1-109.884.2000114.2T167L163-T167 WeakPolarHBondContact O-CB 3.3Å; L163-T167 PolarHBondContact O-N 3.47Å; L163-T167 PolarHBondContact O-OG1 3.21Å
164S57.5Low63Low66 Ų6693.2 Ų93.246%0.46245%0.446SS..Hα-helixtrans-75.9-38.2-169.963.60000113.9D162 T167 N168D162-S164 PolarHBondContact O-N 3.33Å; D162-S164 VanDerWaalsContact O-N 3.11Å; S164-T167 WeakPolarHBondContact CA-OG1 3.47Å; S164-T167 PolarHBondContact O-OG1 2.95Å; S164-T167 VanDerWaalsContact O-OG1 3.05Å; S164-N168 PolarHBondContact O-N 3.07Å; S164-N168 VanDerWaalsContact O-N 3.14Å; S164-N168 PolarHBondContact O-ND2 3.21Å; S164-N168 VanDerWaalsContact O-ND2 3.08Å
165I59.8Low62Low76 Ų7697.8 Ų97.839%0.3947%0.465SS..Hα-helixtrans-75.7-42.2178-59.5-168000110.2T167 N168 L169I165-T167 VanDerWaalsContact C-N 3.31Å; I165-T167 PolarHBondContact O-N 3.37Å; I165-N168 PolarHBondContact O-N 3.42Å; I165-L169 HydrophobicContact CG2-CD1 3.79Å; I165-L169 HydrophobicContact CG2-CG 4.27Å; I165-L169 WeakPolarHBondContact O-CB 3.46Å; I165-L169 WeakPolarHBondContact O-CG 3.3Å; I165-L169 PolarHBondContact O-N 3.34Å
166V60.3Low61.3Low16 Ų1699.9 Ų99.910%0.09748%0.476CS..Hα-helixtrans-59.7-40.5174.4170.60000111.7I156 Q159 R170I156-V166 HydrophobicContact CG1-CG1 4.12Å; Q159-V166 HydrophobicContact CB-CG2 4.1Å; Q159-V166 WeakPolarHBondContact O-CG2 3.32Å; V166-R170 WeakPolarHBondContact O-CB 3.35Å; V166-R170 WeakPolarHBondContact O-CG 3.26Å; V166-R170 PolarHBondContact O-N 3.23Å
167T61Low60.7Low63 Ų63105.3 Ų105.339%0.38750%0.501SS..Hα-helixtrans-68.8-38.3175.735.70000112.6L163 S164 I165 K171L163-T167 WeakPolarHBondContact O-CB 3.3Å; L163-T167 PolarHBondContact O-N 3.47Å; L163-T167 PolarHBondContact O-OG1 3.21Å; S164-T167 WeakPolarHBondContact CA-OG1 3.47Å; S164-T167 PolarHBondContact O-OG1 2.95Å; S164-T167 VanDerWaalsContact O-OG1 3.05Å; I165-T167 VanDerWaalsContact C-N 3.31Å; I165-T167 PolarHBondContact O-N 3.37Å; T167-K171 WeakPolarHBondContact O-CB 3.42Å; T167-K171 VanDerWaalsContact O-CG 3.24Å; T167-K171 WeakPolarHBondContact O-CG 3.45Å; T167-K171 PolarHBondContact O-N 3.17Å
168N65.4Low60.4Low98 Ų98101.8 Ų101.852%0.52450%0.497SS..Hα-helixtrans-69.1-35.3175.7-73.7-32.9000112.9S164 I165 K171 L172S164-N168 PolarHBondContact O-N 3.07Å; S164-N168 VanDerWaalsContact O-N 3.14Å; S164-N168 PolarHBondContact O-ND2 3.21Å; S164-N168 VanDerWaalsContact O-ND2 3.08Å; I165-N168 PolarHBondContact O-N 3.42Å; N168-K171 WeakPolarHBondContact O-CB 3.3Å; N168-K171 PolarHBondContact O-N 2.86Å; N168-L172 PolarHBondContact O-N 2.8Å
169L65.8Low60.4Low39 Ų39104.4 Ų104.420%0.20451%0.51CS..Hα-helixtrans-75.2-37176.2-69.9172.8000112.7A155 I165 K171 L172 D173A155-L169 HydrophobicContact CB-CD1 3.5Å; A155-L169 VanDerWaalsContact CB-CD1 3.5Å; I165-L169 HydrophobicContact CG2-CD1 3.79Å; I165-L169 HydrophobicContact CG2-CG 4.27Å; I165-L169 WeakPolarHBondContact O-CB 3.46Å; I165-L169 WeakPolarHBondContact O-CG 3.3Å; I165-L169 PolarHBondContact O-N 3.34Å; L169-K171 VanDerWaalsContact C-N 3.27Å; L169-K171 PolarHBondContact O-N 3.39Å; L169-L172 HydrophobicContact CD2-CD2 4.16Å; L169-L172 VanDerWaalsContact O-CB 3.31Å; L169-L172 WeakPolarHBondContact O-CB 3.28Å; L169-L172 PolarHBondContact O-N 3.08Å; L169-L172 VanDerWaalsContact O-N 3.13Å; L169-D173 PolarHBondContact O-N 3.48Å
170R64.3Low60.7Low151 Ų151103.8 Ų103.857%0.5751%0.509SS*.Hα-helixtrans-62.6-36.4168.1-80.3-174.7-172169.54.2112I156 V166 D173 H174I156-R170 HydrophobicContact CD1-CG 4.08Å; V166-R170 WeakPolarHBondContact O-CB 3.35Å; V166-R170 WeakPolarHBondContact O-CG 3.26Å; V166-R170 PolarHBondContact O-N 3.23Å; R170-D173 PolarHBondContact O-N 3.4Å; R170-H174 PolarHBondContact O-N 3.18Å
171K64.5Low61.4Low117 Ų11795.5 Ų95.551%0.50949%0.487SS..Hα-helixtrans-64.2-42.5170.5-77177.8-178.7177.70110.9T167 N168 L169 D173 H174 F175T167-K171 WeakPolarHBondContact O-CB 3.42Å; T167-K171 VanDerWaalsContact O-CG 3.24Å; T167-K171 WeakPolarHBondContact O-CG 3.45Å; T167-K171 PolarHBondContact O-N 3.17Å; N168-K171 WeakPolarHBondContact O-CB 3.3Å; N168-K171 PolarHBondContact O-N 2.86Å; L169-K171 VanDerWaalsContact C-N 3.27Å; L169-K171 PolarHBondContact O-N 3.39Å; K171-D173 VanDerWaalsContact C-N 3.32Å; K171-D173 PolarHBondContact O-N 2.88Å; K171-H174 PolarHBondContact O-N 2.89Å; K171-H174 VanDerWaalsContact O-N 3.12Å; K171-F175 HydrophobicContact CB-CD2 3.91Å; K171-F175 HydrophobicContact CB-CE2 4.13Å; K171-F175 HydrophobicContact CG-CD2 4.33Å; K171-F175 HydrophobicContact CG-CE2 4.03Å; K171-F175 WeakPolarHBondContact O-CB 3.43Å; K171-F175 WeakPolarHBondContact O-CD2 3.33Å; K171-F175 PolarHBondContact O-N 2.95Å
172L65.3Low62.2Low79 Ų7993.9 Ų93.941%0.41448%0.48SS..Hα-helixtrans-57.3-45.6176-168.573000111.4N168 L169 H174 F175 T176N168-L172 PolarHBondContact O-N 2.8Å; L169-L172 HydrophobicContact CD2-CD2 4.16Å; L169-L172 VanDerWaalsContact O-CB 3.31Å; L169-L172 WeakPolarHBondContact O-CB 3.28Å; L169-L172 PolarHBondContact O-N 3.08Å; L169-L172 VanDerWaalsContact O-N 3.13Å; L172-H174 VanDerWaalsContact C-N 3.26Å; L172-H174 PolarHBondContact O-N 3.43Å; L172-F175 PolarHBondContact O-N 3.3Å; L172-T176 HydrophobicContact CD1-CG2 3.56Å; L172-T176 HydrophobicContact CG-CG2 4.2Å; L172-T176 PolarHBondContact O-N 2.94Å; L172-T176 PolarHBondContact O-OG1 2.61Å
173D65.9Low62.9Low62 Ų6293.1 Ų93.133%0.33248%0.478SS..Hα-helixtrans-59.2-36.9176.4-172.540.6000113K148 V152 L169 R170 K171K148-D173 WeakPolarHBondContact CE-OD1 3.38Å; K148-D173 PolarHBondContact NZ-O 3.43Å; K148-D173 IonicContact NZ-OD1 3.38Å; K148-D173 PolarHBondContact NZ-OD1 3.35Å; V152-D173 HydrophobicContact CG1-CB 4.41Å; V152-D173 HydrophobicContact CG2-CB 4.25Å; L169-D173 PolarHBondContact O-N 3.48Å; R170-D173 PolarHBondContact O-N 3.4Å; K171-D173 VanDerWaalsContact C-N 3.32Å; K171-D173 PolarHBondContact O-N 2.88Å
174H63.7Low63.5Low155 Ų15593.1 Ų93.172%0.71847%0.468SS*.Hα-helixtrans-83.9-32.6-176.6-157.160.3000114.2R170 K171 L172R170-H174 PolarHBondContact O-N 3.18Å; K171-H174 PolarHBondContact O-N 2.89Å; K171-H174 VanDerWaalsContact O-N 3.12Å; L172-H174 VanDerWaalsContact C-N 3.26Å; L172-H174 PolarHBondContact O-N 3.43Å
175F54.2Low64.2Low154 Ų15493.8 Ų93.868%0.67547%0.473SS*.Hα-helixtrans-99.8-22.8-170.3-73.6-67.8000115.2K171 L172 H177K171-F175 HydrophobicContact CB-CD2 3.91Å; K171-F175 HydrophobicContact CB-CE2 4.13Å; K171-F175 HydrophobicContact CG-CD2 4.33Å; K171-F175 HydrophobicContact CG-CE2 4.03Å; K171-F175 WeakPolarHBondContact O-CB 3.43Å; K171-F175 WeakPolarHBondContact O-CD2 3.33Å; K171-F175 PolarHBondContact O-N 2.95Å; L172-F175 PolarHBondContact O-N 3.3Å; F175-H177 PolarHBondContact O-N 2.7Å
176T56.1Low64.9Low58 Ų5893.9 Ų93.936%0.35648%0.477SS..  trans-87.590.2-179.762.80000110.8L172L172-T176 HydrophobicContact CD1-CG2 3.56Å; L172-T176 HydrophobicContact CG-CG2 4.2Å; L172-T176 PolarHBondContact O-N 2.94Å; L172-T176 PolarHBondContact O-OG1 2.61Å
177H58.8Low65.3Low167 Ų16798 Ų9877%0.77349%0.494SS*.  trans-83.3115.7164.5-169.274.3000108.8F175 D179F175-H177 PolarHBondContact O-N 2.7Å; H177-D179 PolarHBondContact O-N 3.41Å
178V62.9Low65.8Low92 Ų9298 Ų9856%0.55850%0.497SS*.  trans-82.196.3176.3-178.10000108.1
179D63.4Low66.4Low106 Ų106100.3 Ų100.357%0.56750%0.502SS*.  trans-88130.1174.9-174.29.5000110.8H177 S181H177-D179 PolarHBondContact O-N 3.41Å; D179-S181 WeakPolarHBondContact OD1-CB 3.46Å; D179-S181 PolarHBondContact OD1-N 3.34Å; D179-S181 PolarHBondContact OD1-OG 2.95Å; D179-S181 VanDerWaalsContact OD1-OG 3.08Å; D179-S181 PolarHBondContact OD2-OG 3.5Å
180V67.8Low66.8Low41 Ų41102.2 Ų102.225%0.24852%0.515CS..  trans-112.913.4-178-143.90000112.3L138 V183 R184L138-V180 HydrophobicContact CB-CB 4.16Å; L138-V180 HydrophobicContact CB-CG1 3.74Å; L138-V180 HydrophobicContact CD1-CB 4.37Å; L138-V180 HydrophobicContact CD1-CG1 3.68Å; L138-V180 HydrophobicContact CD2-CB 4.49Å; L138-V180 HydrophobicContact CD2-CG1 3.24Å; L138-V180 HydrophobicContact CG-CG1 3.67Å; V180-V183 HydrophobicContact CG1-CB 4.35Å; V180-V183 HydrophobicContact CG1-CG2 4.44Å; V180-R184 PolarHBondContact O-N 3.41Å
181S69.8Low67Low59 Ų5996.2 Ų96.241%0.41349%0.494SS..Hα-helixtrans-66.8-37.8-177.5680000114.1D179 R184 S185D179-S181 WeakPolarHBondContact OD1-CB 3.46Å; D179-S181 PolarHBondContact OD1-N 3.34Å; D179-S181 PolarHBondContact OD1-OG 2.95Å; D179-S181 VanDerWaalsContact OD1-OG 3.08Å; D179-S181 PolarHBondContact OD2-OG 3.5Å; S181-R184 WeakPolarHBondContact O-CB 3.32Å; S181-R184 PolarHBondContact O-N 3.07Å; S181-S185 PolarHBondContact O-N 2.91Å
182E72.1Confident67.3Low152 Ų15292 Ų9271%0.7148%0.484SS*.Hα-helixtrans-68.4-41.8-178.5-174.3173.2-169.900112.2R184 S185 T186E182-R184 VanDerWaalsContact C-N 3.32Å; E182-R184 PolarHBondContact O-N 3.19Å; E182-S185 PolarHBondContact O-N 3.17Å; E182-T186 PolarHBondContact O-N 2.88Å; E182-T186 PolarHBondContact O-OG1 3.37Å; E182-T186 VanDerWaalsContact O-OG1 3.08Å
183V67.3Low67.8Low68 Ų6893.8 Ų93.841%0.41249%0.49SS..Hα-helixtrans-60.8-44.9174.3-178.90000109.8L138 V180 S185 T186 F187L138-V183 HydrophobicContact CD1-CB 4.29Å; L138-V183 HydrophobicContact CD1-CG1 4.14Å; L138-V183 HydrophobicContact CD2-CG1 4.2Å; V180-V183 HydrophobicContact CG1-CB 4.35Å; V180-V183 HydrophobicContact CG1-CG2 4.44Å; V183-S185 PolarHBondContact O-N 3.27Å; V183-T186 PolarHBondContact O-N 3.39Å; V183-F187 HydrophobicContact CG1-CD2 4.23Å; V183-F187 HydrophobicContact CG1-CE2 4.31Å; V183-F187 WeakPolarHBondContact O-CD2 3.36Å; V183-F187 PolarHBondContact O-N 2.82Å
184R67.2Low67.9Low137 Ų13794.5 Ų94.552%0.51749%0.493SS..Hα-helixtrans-58.7-46.5175.4-174.1-172.9-61.3-148.6-0.6112.1L138 V180 S181 E182 S188L138-R184 HydrophobicContact CD1-CB 4.32Å; V180-R184 PolarHBondContact O-N 3.41Å; S181-R184 WeakPolarHBondContact O-CB 3.32Å; S181-R184 PolarHBondContact O-N 3.07Å; E182-R184 VanDerWaalsContact C-N 3.32Å; E182-R184 PolarHBondContact O-N 3.19Å; R184-S188 PolarHBondContact O-N 2.92Å; R184-S188 VanDerWaalsContact O-N 3.17Å; R184-S188 PolarHBondContact O-OG 3.45Å
185S72.9Confident68.2Low79 Ų7992 Ų9255%0.55248%0.482SS*.Hα-helixtrans-62.5-43.8-178.9-178.50000112.8S181 E182 V183 S188 K189S181-S185 PolarHBondContact O-N 2.91Å; E182-S185 PolarHBondContact O-N 3.17Å; V183-S185 PolarHBondContact O-N 3.27Å; S185-S188 PolarHBondContact O-N 2.84Å; S185-K189 PolarHBondContact O-N 3.31Å; S185-K189 VanDerWaalsContact O-N 3.09Å
186T74.1Confident69.2Low78 Ų7889.2 Ų89.248%0.47948%0.477SS..Hα-helixtrans-63.9-44.6-179.4-59.80000111.6E182 V183 K189 V190E182-T186 PolarHBondContact O-N 2.88Å; E182-T186 PolarHBondContact O-OG1 3.37Å; E182-T186 VanDerWaalsContact O-OG1 3.08Å; V183-T186 PolarHBondContact O-N 3.39Å; T186-K189 PolarHBondContact O-N 2.99Å; T186-V190 PolarHBondContact O-N 3.32Å
187F70Confident70.1Confident103 Ų10391.9 Ų91.945%0.45249%0.489SS..Hα-helixtrans-62.4-46.2177.3-92.4-98.3000111.9V183 K189 V190 I191V183-F187 HydrophobicContact CG1-CD2 4.23Å; V183-F187 HydrophobicContact CG1-CE2 4.31Å; V183-F187 WeakPolarHBondContact O-CD2 3.36Å; V183-F187 PolarHBondContact O-N 2.82Å; F187-K189 VanDerWaalsContact C-N 3.27Å; F187-K189 PolarHBondContact O-N 3.5Å; F187-V190 PolarHBondContact O-N 3.39Å; F187-I191 WeakPolarHBondContact O-CB 3.45Å; F187-I191 VanDerWaalsContact O-CD1 3.3Å; F187-I191 WeakPolarHBondContact O-CD1 3.3Å; F187-I191 WeakPolarHBondContact O-CG1 3.44Å; F187-I191 PolarHBondContact O-N 3.5Å; F187-I191 VanDerWaalsContact O-N 3.17Å
188S70.3Confident70.7Confident64 Ų6487.7 Ų87.745%0.44847%0.469SS..Hα-helixtrans-60.1-36177-640000113R184 S185 G192R184-S188 PolarHBondContact O-N 2.92Å; R184-S188 VanDerWaalsContact O-N 3.17Å; R184-S188 PolarHBondContact O-OG 3.45Å; S185-S188 PolarHBondContact O-N 2.84Å; S188-G192 PolarHBondContact O-N 3.47Å
189K78.9Confident71Confident145 Ų14586 Ų8663%0.6346%0.462SS*.Hα-helixtrans-67.8-47.9179.1-173.7178.4179.1179.50112.9S185 T186 F187 I191 G192 Q193S185-K189 PolarHBondContact O-N 3.31Å; S185-K189 VanDerWaalsContact O-N 3.09Å; T186-K189 PolarHBondContact O-N 2.99Å; F187-K189 VanDerWaalsContact C-N 3.27Å; F187-K189 PolarHBondContact O-N 3.5Å; K189-I191 VanDerWaalsContact C-N 3.27Å; K189-I191 PolarHBondContact O-N 2.89Å; K189-G192 PolarHBondContact O-N 3.42Å; K189-Q193 PolarHBondContact O-N 3.23Å
190V73.8Confident71.5Confident80 Ų8087 Ų8749%0.48546%0.462SS..Hα-helixtrans-60.3-42.6178.6172.10000110.5T186 F187 Q193 I194T186-V190 PolarHBondContact O-N 3.32Å; F187-V190 PolarHBondContact O-N 3.39Å; V190-Q193 PolarHBondContact O-N 2.87Å; V190-I194 PolarHBondContact O-N 3.27Å
191I67.6Low71.6Confident25 Ų2587.1 Ų87.113%0.12847%0.468CS..Hα-helixtrans-65.3-43.4-179.8-71.1168.8000111.7K127 F187 K189 Q193 I194K127-I191 HydrophobicContact CB-CD1 4.47Å; K127-I191 HydrophobicContact CB-CG2 3.83Å; K127-I191 HydrophobicContact CD-CG2 3.17Å; K127-I191 HydrophobicContact CG-CD1 4.2Å; K127-I191 HydrophobicContact CG-CG2 3.43Å; K127-I191 VanDerWaalsContact CG-CG2 3.43Å; F187-I191 WeakPolarHBondContact O-CB 3.45Å; F187-I191 VanDerWaalsContact O-CD1 3.3Å; F187-I191 WeakPolarHBondContact O-CD1 3.3Å; F187-I191 WeakPolarHBondContact O-CG1 3.44Å; F187-I191 PolarHBondContact O-N 3.5Å; F187-I191 VanDerWaalsContact O-N 3.17Å; K189-I191 VanDerWaalsContact C-N 3.27Å; K189-I191 PolarHBondContact O-N 2.89Å; I191-Q193 VanDerWaalsContact C-N 3.34Å; I191-Q193 PolarHBondContact O-N 3.37Å; I191-I194 PolarHBondContact O-N 3Å
192G71.6Confident71.7Confident29 Ų2988.2 Ų88.230%0.29947%0.465SS..Hα-helixtrans-63.9-35177.600000113.7S188 K189 I194 E195 V196S188-G192 PolarHBondContact O-N 3.47Å; K189-G192 PolarHBondContact O-N 3.42Å; G192-I194 VanDerWaalsContact C-N 3.33Å; G192-I194 PolarHBondContact O-N 2.83Å; G192-E195 PolarHBondContact O-N 3Å; G192-V196 WeakPolarHBondContact O-CG2 3.41Å; G192-V196 PolarHBondContact O-N 2.81Å
193Q75.6Confident71.7Confident116 Ų11684.7 Ų84.754%0.54245%0.451SS..Hα-helixtrans-64.9-35.2178.2-76.4-177.3-24.800113K189 V190 I191 N197K189-Q193 PolarHBondContact O-N 3.23Å; V190-Q193 PolarHBondContact O-N 2.87Å; I191-Q193 VanDerWaalsContact C-N 3.34Å; I191-Q193 PolarHBondContact O-N 3.37Å; Q193-N197 PolarHBondContact O-N 3.37Å; Q193-N197 PolarHBondContact O-ND2 3.22Å
194I68.6Low72Confident77 Ų7785 Ų8540%0.39545%0.45SS..Hα-helixtrans-65.2-44178.7-65.6169.9000110.4A123 V190 I191 G192 F198A123-I194 HydrophobicContact CB-CG2 4.4Å; V190-I194 PolarHBondContact O-N 3.27Å; I191-I194 PolarHBondContact O-N 3Å; G192-I194 VanDerWaalsContact C-N 3.33Å; G192-I194 PolarHBondContact O-N 2.83Å; I194-F198 HydrophobicContact CG2-CD2 4.17Å; I194-F198 HydrophobicContact CG2-CE2 4.17Å; I194-F198 VanDerWaalsContact O-CD2 3.23Å; I194-F198 WeakPolarHBondContact O-CD2 3.46Å; I194-F198 PolarHBondContact O-N 3.28Å
195E69.6Low72.1Confident102 Ų10280.5 Ų80.548%0.47744%0.436SS..Hα-helixtrans-66.2-43.3-177.5-175169.3-172.600113G192 N197 F198 S199G192-E195 PolarHBondContact O-N 3Å; E195-N197 PolarHBondContact O-N 3.18Å; E195-F198 PolarHBondContact O-N 3.49Å; E195-S199 WeakPolarHBondContact O-CB 3.35Å; E195-S199 PolarHBondContact O-N 3.28Å
196V75.6Confident71.9Confident96 Ų9685.7 Ų85.758%0.58244%0.443SS*.Hα-helixtrans-62.7-43.7-179.71740000111.3G192 F198 S199 H200G192-V196 WeakPolarHBondContact O-CG2 3.41Å; G192-V196 PolarHBondContact O-N 2.81Å; V196-F198 PolarHBondContact O-N 2.91Å; V196-S199 PolarHBondContact O-N 3.01Å; V196-H200 WeakPolarHBondContact O-CB 3.28Å; V196-H200 PolarHBondContact O-N 2.9Å
197N74.1Confident71.8Confident114 Ų11487.8 Ų87.861%0.6145%0.452SS*.Hα-helixtrans-63.7-40.5179.9-72.5-20.8000112.2Q193 E195 A201Q193-N197 PolarHBondContact O-N 3.37Å; Q193-N197 PolarHBondContact O-ND2 3.22Å; E195-N197 PolarHBondContact O-N 3.18Å; N197-A201 PolarHBondContact O-N 3.47Å
198F70.6Confident71.9Confident78 Ų7889.6 Ų89.634%0.34246%0.457SS..Hα-helixtrans-69.7-40.6178-87.8-106.5000112.4T116 V119 I194 E195 V196 K202T116-F198 HydrophobicContact CG2-CB 4.4Å; T116-F198 HydrophobicContact CG2-CD1 3.5Å; T116-F198 HydrophobicContact CG2-CE1 4.21Å; T116-F198 HydrophobicContact CG2-CG 4.37Å; V119-F198 HydrophobicContact CB-CE1 4.14Å; V119-F198 HydrophobicContact CG1-CE1 3.65Å; V119-F198 HydrophobicContact CG1-CZ 3.84Å; I194-F198 HydrophobicContact CG2-CD2 4.17Å; I194-F198 HydrophobicContact CG2-CE2 4.17Å; I194-F198 VanDerWaalsContact O-CD2 3.23Å; I194-F198 WeakPolarHBondContact O-CD2 3.46Å; I194-F198 PolarHBondContact O-N 3.28Å; E195-F198 PolarHBondContact O-N 3.49Å; V196-F198 PolarHBondContact O-N 2.91Å; F198-K202 PolarHBondContact O-N 2.67Å
199S71Confident72.1Confident58 Ų5890 Ų9041%0.40645%0.45SS..Hα-helixtrans-66.4-42.3178.9-173.10000112.4E195 V196 K202 N203E195-S199 WeakPolarHBondContact O-CB 3.35Å; E195-S199 PolarHBondContact O-N 3.28Å; V196-S199 PolarHBondContact O-N 3.01Å; S199-K202 PolarHBondContact O-N 3.4Å; S199-N203 PolarHBondContact O-N 3.47Å; S199-N203 VanDerWaalsContact O-N 3.08Å; S199-N203 PolarHBondContact O-ND2 3.3Å
200H73.6Confident71.6Confident125 Ų12586.4 Ų86.458%0.57944%0.438SS*.Hα-helixtrans-61.8-46.3178.8-173.7-100.8000112.2V196 K202 N203 L204V196-H200 WeakPolarHBondContact O-CB 3.28Å; V196-H200 PolarHBondContact O-N 2.9Å; H200-K202 VanDerWaalsContact C-N 3.33Å; H200-K202 PolarHBondContact O-N 3.15Å; H200-N203 PolarHBondContact O-N 3.5Å; H200-L204 VanDerWaalsContact CE1-CD1 3.44Å; H200-L204 WeakPolarHBondContact CE1-CD1 3.43Å; H200-L204 WeakPolarHBondContact O-CG 3.46Å; H200-L204 PolarHBondContact O-N 2.94Å
201A70.2Confident71.7Confident44 Ų4486.7 Ų86.736%0.36444%0.436SS..Hα-helixtrans-60.5-41176.700000112.4N197 L205N197-A201 PolarHBondContact O-N 3.47Å; A201-L205 WeakPolarHBondContact O-CD1 3.29Å; A201-L205 PolarHBondContact O-N 2.71Å; A201-L205 VanDerWaalsContact O-N 3.15Å
202K71.6Confident72Confident83 Ų8387.6 Ų87.636%0.36145%0.445SS..Hα-helixtrans-63.2-45.2178.5177.9-178.2174.9179.30112.8V117 F198 S199 H200 L205 R206V117-K202 HydrophobicContact CG2-CD 4.21Å; F198-K202 PolarHBondContact O-N 2.67Å; S199-K202 PolarHBondContact O-N 3.4Å; H200-K202 VanDerWaalsContact C-N 3.33Å; H200-K202 PolarHBondContact O-N 3.15Å; K202-L205 PolarHBondContact O-N 3.5Å; K202-R206 PolarHBondContact O-N 2.89Å; K202-R206 VanDerWaalsContact O-N 3.13Å
203N72.7Confident72Confident78 Ų7889.4 Ų89.442%0.41745%0.448SS..Hα-helixtrans-68.4-42.7-176.9-69.5-22.9000111.4S199 H200 L205 R206 D207S199-N203 PolarHBondContact O-N 3.47Å; S199-N203 VanDerWaalsContact O-N 3.08Å; S199-N203 PolarHBondContact O-ND2 3.3Å; H200-N203 PolarHBondContact O-N 3.5Å; N203-L205 PolarHBondContact O-N 3.49Å; N203-R206 PolarHBondContact O-N 2.98Å; N203-R206 VanDerWaalsContact O-N 3.11Å; N203-D207 PolarHBondContact O-N 2.94Å
204L72Confident72.1Confident74 Ų7486.7 Ų86.739%0.38743%0.432SS..Hα-helixtrans-55.9-48.8172.7-69.8172.4000111.6H200 R206 D207 Y208H200-L204 VanDerWaalsContact CE1-CD1 3.44Å; H200-L204 WeakPolarHBondContact CE1-CD1 3.43Å; H200-L204 WeakPolarHBondContact O-CG 3.46Å; H200-L204 PolarHBondContact O-N 2.94Å; L204-R206 PolarHBondContact O-N 3.21Å; L204-D207 PolarHBondContact O-N 2.92Å; L204-Y208 HydrophobicContact CB-CD2 4.49Å; L204-Y208 HydrophobicContact CD2-CE2 3.9Å; L204-Y208 WeakPolarHBondContact O-CD2 3.21Å; L204-Y208 PolarHBondContact O-N 3.27Å; L204-Y208 VanDerWaalsContact O-N 3.13Å
205L69.9Low72.7Confident43 Ų4387.7 Ų87.723%0.22544%0.437CS..Hα-helixtrans-59.3-34.3178.5-84.5157.2000113.2V108 A201 K202 N203V108-L205 HydrophobicContact CG1-CD2 3.43Å; V108-L205 VanDerWaalsContact CG1-CD2 3.43Å; A201-L205 WeakPolarHBondContact O-CD1 3.29Å; A201-L205 PolarHBondContact O-N 2.71Å; A201-L205 VanDerWaalsContact O-N 3.15Å; K202-L205 PolarHBondContact O-N 3.5Å; N203-L205 PolarHBondContact O-N 3.49Å
206R69.5Low73Confident187 Ų18785 Ų8571%0.70643%0.426SS*.Hα-helixtrans-73.7-42.1179.8-170176.2-179.2168.5-0.7112K202 N203 L204 K209K202-R206 PolarHBondContact O-N 2.89Å; K202-R206 VanDerWaalsContact O-N 3.13Å; N203-R206 PolarHBondContact O-N 2.98Å; N203-R206 VanDerWaalsContact O-N 3.11Å; L204-R206 PolarHBondContact O-N 3.21Å; R206-K209 WeakPolarHBondContact O-CB 3.5Å
207D70.9Confident73.2Confident122 Ų12281.5 Ų81.565%0.65241%0.407SS*.Hα-helixtrans-73.4-35.8-175.3-65.6-19000111.9N203 L204 K209N203-D207 PolarHBondContact O-N 2.94Å; L204-D207 PolarHBondContact O-N 2.92Å; D207-K209 PolarHBondContact O-N 2.69Å
208Y72.9Confident73.6Confident141 Ų14178.8 Ų78.855%0.55340%0.401SS*.SBendtrans-82.6-7.1178.9-69.6-68000114.8L204 L210 L211 S212L204-Y208 HydrophobicContact CB-CD2 4.49Å; L204-Y208 HydrophobicContact CD2-CE2 3.9Å; L204-Y208 WeakPolarHBondContact O-CD2 3.21Å; L204-Y208 PolarHBondContact O-N 3.27Å; L204-Y208 VanDerWaalsContact O-N 3.13Å; Y208-L210 VanDerWaalsContact C-N 3.34Å; Y208-L210 PolarHBondContact O-N 3.3Å; Y208-L211 HydrophobicContact CD1-CD2 4.28Å; Y208-L211 PolarHBondContact O-N 2.89Å; Y208-S212 VanDerWaalsContact O-CB 3.32Å; Y208-S212 WeakPolarHBondContact O-CB 3.27Å; Y208-S212 PolarHBondContact O-N 2.76Å
209K73.1Confident74.3Confident72 Ų7278.6 Ų78.631%0.31341%0.406SS..Hα-helixtrans-51.1-48.2-178.1176.5150.7-169.4171.20113.4L109 N110 R206 D207 N213L109-K209 HydrophobicContact CB-CD 4.08Å; L109-K209 HydrophobicContact CD1-CB 4.35Å; L109-K209 HydrophobicContact CD1-CD 4.17Å; L109-K209 HydrophobicContact CD1-CG 3.77Å; L109-K209 HydrophobicContact CD2-CB 3.81Å; L109-K209 HydrophobicContact CD2-CD 4.22Å; L109-K209 HydrophobicContact CD2-CG 4.03Å; L109-K209 HydrophobicContact CG-CD 4.41Å; L109-K209 HydrophobicContact CG-CG 4.34Å; L109-K209 PolarHBondContact O-NZ 3.09Å; N110-K209 PolarHBondContact OD1-NZ 2.98Å; R206-K209 WeakPolarHBondContact O-CB 3.5Å; D207-K209 PolarHBondContact O-N 2.69Å; K209-N213 PolarHBondContact O-N 2.93Å
210L70.1Confident75Confident71 Ų7177.1 Ų77.137%0.37239%0.392SS..Hα-helixtrans-74.7-42-175.5-160.692.1000111.5K52 Y208 R214K52-L210 HydrophobicContact CD-CD1 4.45Å; Y208-L210 VanDerWaalsContact C-N 3.34Å; Y208-L210 PolarHBondContact O-N 3.3Å; L210-R214 VanDerWaalsContact CD2-NH2 3.34Å; L210-R214 WeakPolarHBondContact O-CG 3.37Å; L210-R214 PolarHBondContact O-N 3.37Å; L210-R214 VanDerWaalsContact O-N 3.17Å
211L75.3Confident75.6Confident86 Ų8674.7 Ų74.745%0.4539%0.386SS..Hα-helixtrans-67-42.4-177.8-174.364.2000111.5Y208 N213 R214 I215Y208-L211 HydrophobicContact CD1-CD2 4.28Å; Y208-L211 PolarHBondContact O-N 2.89Å; L211-N213 PolarHBondContact O-N 2.98Å; L211-R214 WeakPolarHBondContact O-CB 3.28Å; L211-R214 PolarHBondContact O-N 3.28Å; L211-I215 HydrophobicContact CD1-CD1 4.29Å; L211-I215 HydrophobicContact CG-CD1 3.95Å; L211-I215 WeakPolarHBondContact O-CG1 3.31Å; L211-I215 PolarHBondContact O-N 3.38Å
212S72.9Confident76.5Confident44 Ų4474.7 Ų74.731%0.30839%0.386SS..Hα-helixtrans-63.3-41.7179.7-163.30000112.1M105 Y208 R214 I215 L216M105-S212 WeakPolarHBondContact CE-OG 3.43Å; Y208-S212 VanDerWaalsContact O-CB 3.32Å; Y208-S212 WeakPolarHBondContact O-CB 3.27Å; Y208-S212 PolarHBondContact O-N 2.76Å; S212-R214 PolarHBondContact O-N 2.91Å; S212-I215 PolarHBondContact O-N 3.14Å; S212-L216 VanDerWaalsContact O-CB 3.31Å; S212-L216 WeakPolarHBondContact O-CB 3.22Å; S212-L216 PolarHBondContact O-N 3.29Å
213N72.5Confident77.4Confident67 Ų6774.2 Ų74.236%0.35839%0.387SS..Hα-helixtrans-63-40.2174.3-79-15.4000112.7M105 K209 L211 A217M105-N213 VanDerWaalsContact CG-OD1 3.22Å; M105-N213 WeakPolarHBondContact CG-OD1 3.47Å; K209-N213 PolarHBondContact O-N 2.93Å; L211-N213 PolarHBondContact O-N 2.98Å; N213-A217 WeakPolarHBondContact O-CB 3.32Å; N213-A217 PolarHBondContact O-N 2.93Å
214R77.4Confident78.3Confident58 Ų5871.1 Ų71.122%0.21937%0.37CS..Hα-helixtrans-60.6-50.2176.2-73.5173.5178.2-170.61.9111.2L51 Y53 L210 L211 S212 A218L51-R214 HydrophobicContact CB-CG 4.19Å; L51-R214 HydrophobicContact CD1-CG 4.08Å; L51-R214 HydrophobicContact CD2-CB 4.31Å; L51-R214 HydrophobicContact CD2-CG 3.49Å; L51-R214 VanDerWaalsContact CD2-CG 3.49Å; L51-R214 HydrophobicContact CG-CG 4.1Å; L51-R214 VanDerWaalsContact O-CZ 3.28Å; L51-R214 PolarHBondContact O-NE 3.33Å; L51-R214 VanDerWaalsContact O-NE 3.14Å; L51-R214 PolarHBondContact O-NH2 3.33Å; Y53-R214 HydrophobicContact CE2-CG 4.43Å; Y53-R214 VanDerWaalsContact CE2-CZ 3.46Å; L210-R214 VanDerWaalsContact CD2-NH2 3.34Å; L210-R214 WeakPolarHBondContact O-CG 3.37Å; L210-R214 PolarHBondContact O-N 3.37Å; L210-R214 VanDerWaalsContact O-N 3.17Å; L211-R214 WeakPolarHBondContact O-CB 3.28Å; L211-R214 PolarHBondContact O-N 3.28Å; S212-R214 PolarHBondContact O-N 2.91Å; R214-A218 PolarHBondContact O-N 2.97Å
215I80.4Confident79.3Confident98 Ų9871 Ų7150%0.50337%0.369SS..Hα-helixtrans-63.9-48.1-178.3-66.2168.9000110.4L211 S212 A217 A218 V219L211-I215 HydrophobicContact CD1-CD1 4.29Å; L211-I215 HydrophobicContact CG-CD1 3.95Å; L211-I215 WeakPolarHBondContact O-CG1 3.31Å; L211-I215 PolarHBondContact O-N 3.38Å; S212-I215 PolarHBondContact O-N 3.14Å; I215-A217 VanDerWaalsContact C-N 3.32Å; I215-A217 PolarHBondContact O-N 3.03Å; I215-A218 PolarHBondContact O-N 3.47Å; I215-V219 HydrophobicContact CG2-CG2 4.21Å; I215-V219 WeakPolarHBondContact O-CB 3.27Å; I215-V219 VanDerWaalsContact O-CG2 3.28Å; I215-V219 WeakPolarHBondContact O-CG2 2.96Å; I215-V219 PolarHBondContact O-N 3.3Å
216L76.9Confident80.4Confident46 Ų4672.4 Ų72.424%0.24138%0.376CS..Hα-helixtrans-59.3-44.1-176-172.772.8000112S101 M105 S212 F220S101-L216 VanDerWaalsContact OG-CD1 3.32Å; S101-L216 WeakPolarHBondContact OG-CD1 3.28Å; M105-L216 HydrophobicContact CE-CD2 4.3Å; S212-L216 VanDerWaalsContact O-CB 3.31Å; S212-L216 WeakPolarHBondContact O-CB 3.22Å; S212-L216 PolarHBondContact O-N 3.29Å; L216-F220 WeakPolarHBondContact O-CB 3.38Å; L216-F220 PolarHBondContact O-N 3.37Å
217A78.9Confident81.6Confident23 Ų2365.9 Ų65.919%0.1935%0.353CS..Hα-helixtrans-71.9-39.1-17800000112.8W46 N213 I215 F220 V221W46-A217 HydrophobicContact CH2-CB 3.41Å; W46-A217 VanDerWaalsContact CH2-CB 3.41Å; W46-A217 HydrophobicContact CZ2-CB 3.12Å; N213-A217 WeakPolarHBondContact O-CB 3.32Å; N213-A217 PolarHBondContact O-N 2.93Å; I215-A217 VanDerWaalsContact C-N 3.32Å; I215-A217 PolarHBondContact O-N 3.03Å; A217-F220 PolarHBondContact O-N 2.79Å; A217-V221 WeakPolarHBondContact O-CG2 3.45Å; A217-V221 PolarHBondContact O-N 3.36Å
218A82.5Confident82.7Confident57 Ų5760 Ų6047%0.47132%0.322SS..Hα-helixtrans-61.8-46.417400000111.5R214 I215 F220 V221 A222R214-A218 PolarHBondContact O-N 2.97Å; I215-A218 PolarHBondContact O-N 3.47Å; A218-F220 VanDerWaalsContact C-N 3.27Å; A218-F220 PolarHBondContact O-N 3.46Å; A218-V221 PolarHBondContact O-N 3.27Å; A218-A222 PolarHBondContact O-N 3.49Å
219V86Confident83.7Confident73 Ų7355.4 Ų55.444%0.44231%0.313SS..Hα-helixtrans-58.4-42.3175.5169.70000110.6I215 A222 L223I215-V219 HydrophobicContact CG2-CG2 4.21Å; I215-V219 WeakPolarHBondContact O-CB 3.27Å; I215-V219 VanDerWaalsContact O-CG2 3.28Å; I215-V219 WeakPolarHBondContact O-CG2 2.96Å; I215-V219 PolarHBondContact O-N 3.3Å; V219-A222 PolarHBondContact O-N 2.96Å; V219-L223 HydrophobicContact CG1-CD1 3.84Å; V219-L223 HydrophobicContact CG1-CG 4.24Å; V219-L223 WeakPolarHBondContact O-CB 3.48Å; V219-L223 VanDerWaalsContact O-CG 3.25Å; V219-L223 WeakPolarHBondContact O-CG 3.33Å; V219-L223 PolarHBondContact O-N 3.39Å
220F84.7Confident84.8Confident28 Ų2858.6 Ų58.612%0.12332%0.323CS..Hα-helixtrans-65.2-46.8180178.4-108000113.4Q94 L98 L216 A217 A218 A222 L223 L224Q94-F220 WeakPolarHBondContact O-CE2 3.43Å; L98-F220 HydrophobicContact CB-CD1 4.38Å; L98-F220 HydrophobicContact CB-CD2 3.6Å; L98-F220 HydrophobicContact CB-CE1 4.14Å; L98-F220 HydrophobicContact CB-CE2 3.36Å; L98-F220 HydrophobicContact CB-CG 4.1Å; L98-F220 HydrophobicContact CB-CZ 3.62Å; L98-F220 HydrophobicContact CD1-CB 3.96Å; L98-F220 HydrophobicContact CD1-CD1 3.98Å; L98-F220 HydrophobicContact CD1-CD2 4Å; L98-F220 HydrophobicContact CD1-CE1 4.45Å; L98-F220 HydrophobicContact CD1-CG 3.68Å; L98-F220 HydrophobicContact CD2-CD1 3.47Å; L98-F220 VanDerWaalsContact CD2-CD1 3.47Å; L98-F220 HydrophobicContact CD2-CD2 4.28Å; L98-F220 HydrophobicContact CD2-CE1 3.18Å; L98-F220 HydrophobicContact CD2-CE2 4.08Å; L98-F220 HydrophobicContact CD2-CG 3.98Å; L98-F220 HydrophobicContact CD2-CZ 3.51Å; L98-F220 HydrophobicContact CG-CD1 4.11Å; L98-F220 HydrophobicContact CG-CD2 4.13Å; L98-F220 HydrophobicContact CG-CE1 4.07Å; L98-F220 HydrophobicContact CG-CE2 4.14Å; L98-F220 HydrophobicContact CG-CG 4.1Å; L98-F220 HydrophobicContact CG-CZ 4.06Å; L216-F220 WeakPolarHBondContact O-CB 3.38Å; L216-F220 PolarHBondContact O-N 3.37Å; A217-F220 PolarHBondContact O-N 2.79Å; A218-F220 VanDerWaalsContact C-N 3.27Å; A218-F220 PolarHBondContact O-N 3.46Å; F220-A222 VanDerWaalsContact C-N 3.27Å; F220-A222 PolarHBondContact O-N 2.95Å; F220-L223 PolarHBondContact O-N 3.35Å; F220-L224 HydrophobicContact CD1-CD1 3.9Å; F220-L224 HydrophobicContact CD1-CG 4.32Å; F220-L224 HydrophobicContact CD2-CG 4.43Å; F220-L224 HydrophobicContact CE1-CD1 3.24Å; F220-L224 HydrophobicContact CE1-CD2 4.37Å; F220-L224 HydrophobicContact CE1-CG 3.82Å; F220-L224 HydrophobicContact CE2-CD1 4.23Å; F220-L224 HydrophobicContact CE2-CD2 3.94Å; F220-L224 HydrophobicContact CE2-CG 3.9Å; F220-L224 HydrophobicContact CZ-CD1 3.46Å; F220-L224 VanDerWaalsContact CZ-CD1 3.46Å; F220-L224 HydrophobicContact CZ-CD2 3.7Å; F220-L224 HydrophobicContact CZ-CG 3.61Å; F220-L224 WeakPolarHBondContact O-CG 3.37Å; F220-L224 PolarHBondContact O-N 3.47Å
221V86.9Confident85.9Confident73 Ų7356.1 Ų56.144%0.44231%0.309SS..Hα-helixtrans-58.7-44176.9173.30000110.1A217 A218 L223 L224 I225A217-V221 WeakPolarHBondContact O-CG2 3.45Å; A217-V221 PolarHBondContact O-N 3.36Å; A218-V221 PolarHBondContact O-N 3.27Å; V221-L223 PolarHBondContact O-N 3.05Å; V221-L224 PolarHBondContact O-N 3.34Å; V221-I225 HydrophobicContact CG1-CD1 4.11Å; V221-I225 WeakPolarHBondContact O-CG1 3.38Å; V221-I225 PolarHBondContact O-N 2.99Å
222A89.8Confident86.9Confident44 Ų4452.5 Ų52.536%0.36429%0.29SS..Hα-helixtrans-60.9-45.7175.600000112.1A218 V219 F220 L224 I225 I226A218-A222 PolarHBondContact O-N 3.49Å; V219-A222 PolarHBondContact O-N 2.96Å; F220-A222 VanDerWaalsContact C-N 3.27Å; F220-A222 PolarHBondContact O-N 2.95Å; A222-L224 VanDerWaalsContact C-N 3.34Å; A222-L224 PolarHBondContact O-N 3.44Å; A222-I225 PolarHBondContact O-N 3.19Å; A222-I226 WeakPolarHBondContact O-CB 3.41Å; A222-I226 WeakPolarHBondContact O-CD1 3.26Å; A222-I226 WeakPolarHBondContact O-CG1 3.27Å; A222-I226 PolarHBondContact O-N 3.16Å
223L90.4Very high87.9Confident73 Ų7357.5 Ų57.538%0.38231%0.306SS..Hα-helixtrans-60.7-40.3177.8-74.8173.9000112.4V219 F220 V221 I226 E227V219-L223 HydrophobicContact CG1-CD1 3.84Å; V219-L223 HydrophobicContact CG1-CG 4.24Å; V219-L223 WeakPolarHBondContact O-CB 3.48Å; V219-L223 VanDerWaalsContact O-CG 3.25Å; V219-L223 WeakPolarHBondContact O-CG 3.33Å; V219-L223 PolarHBondContact O-N 3.39Å; F220-L223 PolarHBondContact O-N 3.35Å; V221-L223 PolarHBondContact O-N 3.05Å; L223-I226 PolarHBondContact O-N 3.33Å; L223-E227 VanDerWaalsContact O-CB 3.29Å; L223-E227 WeakPolarHBondContact O-CB 3.47Å; L223-E227 WeakPolarHBondContact O-CG 3.49Å; L223-E227 PolarHBondContact O-N 3.46Å
224L91.8Very high88.9Confident13 Ų1356.6 Ų56.67%0.06831%0.305CS..Hα-helixtrans-62.7-42.9176.7-73.4177.5000112.6T89 V90 Q94 F220 V221 A222 S228T89-L224 HydrophobicContact CG2-CD2 3.92Å; V90-L224 HydrophobicContact CG2-CD1 3.69Å; V90-L224 HydrophobicContact CG2-CD2 4.32Å; Q94-L224 HydrophobicContact CB-CD2 4.09Å; F220-L224 HydrophobicContact CD1-CD1 3.9Å; F220-L224 HydrophobicContact CD1-CG 4.32Å; F220-L224 HydrophobicContact CD2-CG 4.43Å; F220-L224 HydrophobicContact CE1-CD1 3.24Å; F220-L224 HydrophobicContact CE1-CD2 4.37Å; F220-L224 HydrophobicContact CE1-CG 3.82Å; F220-L224 HydrophobicContact CE2-CD1 4.23Å; F220-L224 HydrophobicContact CE2-CD2 3.94Å; F220-L224 HydrophobicContact CE2-CG 3.9Å; F220-L224 HydrophobicContact CZ-CD1 3.46Å; F220-L224 VanDerWaalsContact CZ-CD1 3.46Å; F220-L224 HydrophobicContact CZ-CD2 3.7Å; F220-L224 HydrophobicContact CZ-CG 3.61Å; F220-L224 WeakPolarHBondContact O-CG 3.37Å; F220-L224 PolarHBondContact O-N 3.47Å; V221-L224 PolarHBondContact O-N 3.34Å; A222-L224 VanDerWaalsContact C-N 3.34Å; A222-L224 PolarHBondContact O-N 3.44Å; L224-S228 VanDerWaalsContact O-CB 3.31Å; L224-S228 WeakPolarHBondContact O-CB 3.43Å; L224-S228 PolarHBondContact O-N 2.91Å; L224-S228 PolarHBondContact O-OG 2.84Å
225I92.1Very high89.6Confident73 Ų7353.8 Ų53.837%0.37430%0.295SS..Hα-helixtrans-65.9-46.6178-65.2168.1000109.7V82 T86 V221 A222 E227 S228 A229V82-I225 HydrophobicContact CG1-CG2 4.28Å; T86-I225 HydrophobicContact CG2-CG1 4.04Å; V221-I225 HydrophobicContact CG1-CD1 4.11Å; V221-I225 WeakPolarHBondContact O-CG1 3.38Å; V221-I225 PolarHBondContact O-N 2.99Å; A222-I225 PolarHBondContact O-N 3.19Å; I225-E227 PolarHBondContact O-N 3.19Å; I225-S228 PolarHBondContact O-N 3.43Å; I225-A229 WeakPolarHBondContact O-CB 3.33Å; I225-A229 PolarHBondContact O-N 3.23Å
226I93.3Very high90.2Very high71 Ų7152 Ų5236%0.36429%0.286SS..Hα-helixtrans-60.3-46.1178.8-70.2166000110.8A222 L223 S228 A229 R230A222-I226 WeakPolarHBondContact O-CB 3.41Å; A222-I226 WeakPolarHBondContact O-CD1 3.26Å; A222-I226 WeakPolarHBondContact O-CG1 3.27Å; A222-I226 PolarHBondContact O-N 3.16Å; L223-I226 PolarHBondContact O-N 3.33Å; I226-S228 VanDerWaalsContact C-N 3.34Å; I226-S228 PolarHBondContact O-N 3.35Å; I226-A229 PolarHBondContact O-N 3.32Å; I226-R230 HydrophobicContact CG2-CG 4.39Å; I226-R230 WeakPolarHBondContact O-CB 3.44Å; I226-R230 VanDerWaalsContact O-CG 3.3Å; I226-R230 WeakPolarHBondContact O-CG 3.4Å; I226-R230 PolarHBondContact O-N 3.47Å
227E93.9Very high91Very high50 Ų5055.1 Ų55.123%0.23431%0.307CS..Hα-helixtrans-65.8-37.6178.7-74.6-72.1124.800112.3T89 Q94 L223 I225 R230 Y231T89-E227 HydrophobicContact CG2-CB 4.27Å; Q94-E227 HydrophobicContact CG-CB 4.44Å; Q94-E227 HydrophobicContact CG-CG 4.02Å; Q94-E227 PolarHBondContact NE2-OE2 2.77Å; L223-E227 VanDerWaalsContact O-CB 3.29Å; L223-E227 WeakPolarHBondContact O-CB 3.47Å; L223-E227 WeakPolarHBondContact O-CG 3.49Å; L223-E227 PolarHBondContact O-N 3.46Å; I225-E227 PolarHBondContact O-N 3.19Å; E227-R230 PolarHBondContact O-N 3.14Å; E227-R230 IonicContact OE1-CZ 3.49Å; E227-R230 IonicContact OE1-NH1 2.83Å; E227-R230 PolarHBondContact OE1-NH1 2.96Å; E227-Y231 WeakPolarHBondContact O-CB 3.33Å; E227-Y231 PolarHBondContact O-N 2.99Å
228S94.6Very high91.4Very high0 Ų056.2 Ų56.20%031%0.313CS..Hα-helixtrans-64.8-43.2174-59.10000111.2M85 T89 L224 I225 I226 Y231 L232M85-S228 WeakPolarHBondContact CE-O 3.12Å; T89-S228 PolarHBondContact OG1-OG 3.07Å; L224-S228 VanDerWaalsContact O-CB 3.31Å; L224-S228 WeakPolarHBondContact O-CB 3.43Å; L224-S228 PolarHBondContact O-N 2.91Å; L224-S228 PolarHBondContact O-OG 2.84Å; I225-S228 PolarHBondContact O-N 3.43Å; I226-S228 VanDerWaalsContact C-N 3.34Å; I226-S228 PolarHBondContact O-N 3.35Å; S228-Y231 PolarHBondContact O-N 2.88Å; S228-L232 PolarHBondContact O-N 3.34Å
229A95.1Very high91.5Very high43 Ų4355.8 Ų55.836%0.35531%0.305SS..Hα-helixtrans-65.8-41.4176.200000112.5V82 I225 I226 L232 K233V82-A229 HydrophobicContact CG1-CB 4.24Å; V82-A229 HydrophobicContact CG2-CB 4.24Å; I225-A229 WeakPolarHBondContact O-CB 3.33Å; I225-A229 PolarHBondContact O-N 3.23Å; I226-A229 PolarHBondContact O-N 3.32Å; A229-L232 PolarHBondContact O-N 3.07Å; A229-K233 WeakPolarHBondContact O-CB 3.42Å; A229-K233 PolarHBondContact O-N 3.49Å
230R94.6Very high91.3Very high140 Ų14058.2 Ų58.253%0.52831%0.311SS..Hα-helixtrans-62.1-42174.4-75.8176.9-175.2151.11112I226 E227 K233 S234I226-R230 HydrophobicContact CG2-CG 4.39Å; I226-R230 WeakPolarHBondContact O-CB 3.44Å; I226-R230 VanDerWaalsContact O-CG 3.3Å; I226-R230 WeakPolarHBondContact O-CG 3.4Å; I226-R230 PolarHBondContact O-N 3.47Å; E227-R230 PolarHBondContact O-N 3.14Å; E227-R230 IonicContact OE1-CZ 3.49Å; E227-R230 IonicContact OE1-NH1 2.83Å; E227-R230 PolarHBondContact OE1-NH1 2.96Å; R230-K233 PolarHBondContact O-N 3.43Å; R230-S234 WeakPolarHBondContact O-CB 3.44Å; R230-S234 PolarHBondContact O-N 2.89Å; R230-S234 PolarHBondContact O-OG 2.89Å
231Y94.4Very high91.3Very high19 Ų1959.8 Ų59.88%0.07532%0.318CS..Hα-helixtrans-62.2-47.9175.3-175.5-84.3000110.5M85 E227 S228 K233 S234 Y235 F241 D242 R400M85-Y231 HydrophobicContact CE-CD1 3.44Å; M85-Y231 VanDerWaalsContact CE-CD1 3.44Å; M85-Y231 HydrophobicContact CE-CE1 4.35Å; M85-Y231 HydrophobicContact CE-CG 4Å; M85-Y231 HydrophobicContact SD-CD1 4.46Å; E227-Y231 WeakPolarHBondContact O-CB 3.33Å; E227-Y231 PolarHBondContact O-N 2.99Å; S228-Y231 PolarHBondContact O-N 2.88Å; Y231-K233 PolarHBondContact O-N 3.37Å; Y231-S234 PolarHBondContact O-N 3.46Å; Y231-Y235 HydrophobicContact CE1-CD2 4.26Å; Y231-Y235 WeakPolarHBondContact O-CB 3.31Å; Y231-Y235 PolarHBondContact O-N 3.49Å; Y231-F241 AromaticContact CD2-CE1 3.96Å; Y231-F241 HydrophobicContact CD2-CE1 3.96Å; Y231-F241 AromaticContact CD2-CZ 3.82Å; Y231-F241 HydrophobicContact CD2-CZ 3.82Å; Y231-F241 HydrophobicContact CE1-CE1 4.37Å; Y231-F241 AromaticContact CE2-CE1 3.61Å; Y231-F241 HydrophobicContact CE2-CE1 3.61Å; Y231-F241 AromaticContact CE2-CZ 3.74Å; Y231-F241 HydrophobicContact CE2-CZ 3.74Å; Y231-F241 HydrophobicContact CG-CE1 4.47Å; Y231-F241 AromaticContact CZ-CE1 3.84Å; Y231-D242 PolarHBondContact OH-OD2 2.99Å; Y231-R400 HydrophobicContact CE1-CB 4.07Å
232L95.1Very high90.7Very high9 Ų958.9 Ų58.95%0.04731%0.311CS..Hα-helixtrans-60.2-45.7178-18060.7000111.8P78 C81 V82 M85 S228 A229 S234 Y235 L236 F408P78-L232 HydrophobicContact CB-CD2 4.25Å; C81-L232 HydrophobicContact CB-CD2 4.23Å; V82-L232 HydrophobicContact CG2-CB 4.29Å; V82-L232 HydrophobicContact CG2-CD2 3.58Å; M85-L232 HydrophobicContact CE-CB 4.44Å; S228-L232 PolarHBondContact O-N 3.34Å; A229-L232 PolarHBondContact O-N 3.07Å; L232-S234 PolarHBondContact O-N 3.37Å; L232-Y235 WeakPolarHBondContact O-CB 3.17Å; L232-Y235 PolarHBondContact O-N 2.96Å; L232-L236 HydrophobicContact CD1-CD1 3.96Å; L232-L236 HydrophobicContact CD1-CG 4.03Å; L232-L236 HydrophobicContact CG-CD1 4Å; L232-L236 HydrophobicContact CG-CG 4.42Å; L232-L236 WeakPolarHBondContact O-CG 3.23Å; L232-L236 PolarHBondContact O-N 2.68Å; L232-F408 HydrophobicContact CD1-CD2 3.99Å; L232-F408 HydrophobicContact CD1-CE2 3.6Å; L232-F408 HydrophobicContact CD1-CZ 4.39Å; L232-F408 HydrophobicContact CD2-CE2 4.24Å; L232-F408 HydrophobicContact CG-CE2 4.48Å
233K95.1Very high90Very high149 Ų14957.6 Ų57.665%0.64830%0.298SS*.Hα-helixtrans-55.3-51.2175.2-178.6178.8175.71780110.9A229 R230 Y231 Y235 L236 T237A229-K233 WeakPolarHBondContact O-CB 3.42Å; A229-K233 PolarHBondContact O-N 3.49Å; R230-K233 PolarHBondContact O-N 3.43Å; Y231-K233 PolarHBondContact O-N 3.37Å; K233-Y235 VanDerWaalsContact C-N 3.29Å; K233-Y235 PolarHBondContact O-N 2.94Å; K233-L236 PolarHBondContact O-N 3.47Å; K233-T237 WeakPolarHBondContact O-CB 3.37Å; K233-T237 PolarHBondContact O-N 2.95Å; K233-T237 PolarHBondContact O-OG1 3.5Å
234S93.4Very high88.7Confident48 Ų4857.2 Ų57.234%0.33630%0.301SS..Hα-helixtrans-60.9-39-179.8-55.30000112.3R230 Y231 L232 S238R230-S234 WeakPolarHBondContact O-CB 3.44Å; R230-S234 PolarHBondContact O-N 2.89Å; R230-S234 PolarHBondContact O-OG 2.89Å; Y231-S234 PolarHBondContact O-N 3.46Å; L232-S234 PolarHBondContact O-N 3.37Å; S234-S238 PolarHBondContact O-N 3.41Å; S234-S238 VanDerWaalsContact O-N 3.12Å
235Y92.3Very high87Confident0 Ų058 Ų580%030%0.304CS..Hα-helixtrans-63.2-41.5176.5-175.1-79.7000112.7Y231 L232 K233 R401 C404 A405 Q411 E412Y231-Y235 HydrophobicContact CE1-CD2 4.26Å; Y231-Y235 WeakPolarHBondContact O-CB 3.31Å; Y231-Y235 PolarHBondContact O-N 3.49Å; L232-Y235 WeakPolarHBondContact O-CB 3.17Å; L232-Y235 PolarHBondContact O-N 2.96Å; K233-Y235 VanDerWaalsContact C-N 3.29Å; K233-Y235 PolarHBondContact O-N 2.94Å; Y235-R401 HydrophobicContact CE2-CG 3.99Å; Y235-C404 HydrophobicContact CD1-CB 3.74Å; Y235-C404 HydrophobicContact CD2-CB 3.69Å; Y235-C404 HydrophobicContact CE1-CB 3.63Å; Y235-C404 HydrophobicContact CE2-CB 3.54Å; Y235-C404 HydrophobicContact CG-CB 3.8Å; Y235-A405 WeakPolarHBondContact OH-CA 3.45Å; Y235-A405 PolarHBondContact OH-N 2.87Å; Y235-Q411 HydrophobicContact CD1-CG 4.37Å; Y235-Q411 HydrophobicContact CE1-CG 4.1Å; Y235-Q411 PolarHBondContact O-NE2 3.22Å; Y235-E412 PolarHBondContact OH-OE2 3.11Å
236L92.8Very high85.3Confident60 Ų6055.1 Ų55.131%0.31429%0.289SS..Hα-helixtrans-78.4-31.3179.7-64.9177.3000112.6L232 K233 F408 Q411L232-L236 HydrophobicContact CD1-CD1 3.96Å; L232-L236 HydrophobicContact CD1-CG 4.03Å; L232-L236 HydrophobicContact CG-CD1 4Å; L232-L236 HydrophobicContact CG-CG 4.42Å; L232-L236 WeakPolarHBondContact O-CG 3.23Å; L232-L236 PolarHBondContact O-N 2.68Å; K233-L236 PolarHBondContact O-N 3.47Å; L236-F408 HydrophobicContact CD1-CD1 4.44Å; L236-F408 HydrophobicContact CD1-CE1 4.05Å; L236-F408 HydrophobicContact CD1-CE2 4.38Å; L236-F408 HydrophobicContact CD1-CZ 4.02Å; L236-F408 HydrophobicContact CD2-CB 3.92Å; L236-F408 HydrophobicContact CD2-CD1 3.64Å; L236-F408 HydrophobicContact CD2-CD2 3.98Å; L236-F408 HydrophobicContact CD2-CE1 4.1Å; L236-F408 HydrophobicContact CD2-CE2 4.42Å; L236-F408 HydrophobicContact CD2-CG 3.57Å; L236-F408 HydrophobicContact CD2-CZ 4.47Å; L236-Q411 HydrophobicContact CD2-CB 4.38Å; L236-Q411 HydrophobicContact CD2-CG 4.24Å; L236-Q411 PolarHBondContact O-NE2 2.76Å
237T92.4Very high83.2Confident112 Ų11253.7 Ų53.769%0.68729%0.288SS*.Hα-helixtrans-80.5-37-177.3-55.10000113.3K233K233-T237 WeakPolarHBondContact O-CB 3.37Å; K233-T237 PolarHBondContact O-N 2.95Å; K233-T237 PolarHBondContact O-OG1 3.5Å
238S89Confident81.1Confident45 Ų4553.1 Ų53.132%0.31529%0.292SS..  trans-121.5120.4-172.7177.90000112.9S234 Q240 F241S234-S238 PolarHBondContact O-N 3.41Å; S234-S238 VanDerWaalsContact O-N 3.12Å; S238-Q240 PolarHBondContact O-N 3.22Å; S238-Q240 PolarHBondContact OG-N 3.02Å; S238-F241 WeakPolarHBondContact O-CB 3.46Å; S238-F241 PolarHBondContact O-N 3.49Å; S238-F241 PolarHBondContact OG-N 2.94Å
239V84.6Confident78.8Confident49 Ų4955.3 Ų55.330%0.29731%0.307SS..THydrogen-bonded Turntrans-68.1-15.4172.6-63.60000113.1N243 R415 Y418V239-N243 PolarHBondContact O-ND2 2.88Å; V239-R415 HydrophobicContact CB-CG 4.19Å; V239-R415 HydrophobicContact CG1-CG 4.32Å; V239-Y418 HydrophobicContact CG2-CD1 4.3Å; V239-Y418 HydrophobicContact CG2-CD2 4.39Å; V239-Y418 HydrophobicContact CG2-CG 4.18Å
240Q81.8Confident76.5Confident124 Ų12455 Ų5558%0.57930%0.302SS*.THydrogen-bonded Turntrans-89.6-17.1-179.9-61.1-174.5-3.700113.2S238 N243 Y418S238-Q240 PolarHBondContact O-N 3.22Å; S238-Q240 PolarHBondContact OG-N 3.02Å; Q240-N243 WeakPolarHBondContact CA-ND2 3.26Å; Q240-N243 PolarHBondContact O-ND2 3.18Å; Q240-Y418 HydrophobicContact CG-CE1 3.9Å; Q240-Y418 PolarHBondContact NE2-OH 3.14Å; Q240-Y418 VanDerWaalsContact NE2-OH 3.08Å
241F83.1Confident74.3Confident60 Ų6053.5 Ų53.526%0.26330%0.301SS..THydrogen-bonded Turntrans-63.7131.1-173.9178.4-103.7000112.2Y231 S238 N243 R415Y231-F241 AromaticContact CD2-CE1 3.96Å; Y231-F241 HydrophobicContact CD2-CE1 3.96Å; Y231-F241 AromaticContact CD2-CZ 3.82Å; Y231-F241 HydrophobicContact CD2-CZ 3.82Å; Y231-F241 HydrophobicContact CE1-CE1 4.37Å; Y231-F241 AromaticContact CE2-CE1 3.61Å; Y231-F241 HydrophobicContact CE2-CE1 3.61Å; Y231-F241 AromaticContact CE2-CZ 3.74Å; Y231-F241 HydrophobicContact CE2-CZ 3.74Å; Y231-F241 HydrophobicContact CG-CE1 4.47Å; Y231-F241 AromaticContact CZ-CE1 3.84Å; S238-F241 WeakPolarHBondContact O-CB 3.46Å; S238-F241 PolarHBondContact O-N 3.49Å; S238-F241 PolarHBondContact OG-N 2.94Å; F241-N243 PolarHBondContact O-N 3.17Å; F241-R415 VanDerWaalsContact O-CZ 3.28Å; F241-R415 PolarHBondContact O-NH1 3.02Å; F241-R415 PolarHBondContact O-NH2 2.93Å
242D75.8Confident71.8Confident55 Ų5556.1 Ų56.129%0.29433%0.334SS..THydrogen-bonded Turntrans58.836.7173.8-151.112.5000115.1Y231Y231-D242 PolarHBondContact OH-OD2 2.99Å
243N73.8Confident69.4Low17 Ų1759.1 Ų59.19%0.09135%0.35CS..  trans-96-2-178.9-78.1-15000115.3V239 Q240 F241 F245 I246 R415 L419V239-N243 PolarHBondContact O-ND2 2.88Å; Q240-N243 WeakPolarHBondContact CA-ND2 3.26Å; Q240-N243 PolarHBondContact O-ND2 3.18Å; F241-N243 PolarHBondContact O-N 3.17Å; N243-F245 VanDerWaalsContact C-N 3.28Å; N243-F245 PolarHBondContact O-N 3.49Å; N243-I246 PolarHBondContact O-N 2.8Å; N243-R415 PolarHBondContact OD1-NH2 3.41Å; N243-L419 HydrophobicContact CB-CD2 4.08Å
244S63.2Low67Low65 Ų6559.8 Ų59.846%0.45536%0.356SS..Hα-helixtrans-57.3-36.9-171530000113.8I246 A247 A248S244-I246 PolarHBondContact O-N 3.13Å; S244-A247 PolarHBondContact O-N 2.91Å; S244-A248 PolarHBondContact O-N 3.18Å
245F56.3Low64.5Low28 Ų2866.1 Ų66.112%0.12338%0.38CS..Hα-helixtrans-66.5-35.5-177.2-176.2-84.4000113.9N243 S249 V263 R398N243-F245 VanDerWaalsContact C-N 3.28Å; N243-F245 PolarHBondContact O-N 3.49Å; F245-S249 PolarHBondContact O-N 3.17Å; F245-S249 PolarHBondContact O-OG 3.27Å; F245-V263 HydrophobicContact CD1-CB 4.35Å; F245-V263 HydrophobicContact CD1-CG1 3.73Å; F245-V263 HydrophobicContact CD1-CG2 3.95Å; F245-V263 HydrophobicContact CE1-CB 3.66Å; F245-V263 HydrophobicContact CE1-CG1 3.04Å; F245-V263 HydrophobicContact CE1-CG2 3.69Å; F245-V263 HydrophobicContact CZ-CB 4.5Å; F245-V263 HydrophobicContact CZ-CG1 3.62Å; F245-R398 VanDerWaalsContact CE2-NH2 3.25Å
246I56.3Low62Low14 Ų1471.4 Ų71.47%0.07240%0.404CS..Hα-helixtrans-74.6-34-179.5-66.1174.8000110.7N243 S244 S249 S250 I261 V263 R401 L419N243-I246 PolarHBondContact O-N 2.8Å; S244-I246 PolarHBondContact O-N 3.13Å; I246-S249 PolarHBondContact O-OG 2.86Å; I246-S250 PolarHBondContact O-N 3.25Å; I246-S250 PolarHBondContact O-OG 3.38Å; I246-I261 HydrophobicContact CG2-CG2 4.14Å; I246-V263 HydrophobicContact CG1-CG2 4.44Å; I246-R401 VanDerWaalsContact CD1-NH2 3.26Å; I246-L419 HydrophobicContact CB-CD1 4.2Å; I246-L419 HydrophobicContact CD1-CD1 3.59Å; I246-L419 HydrophobicContact CG1-CD1 4.47Å; I246-L419 HydrophobicContact CG2-CD1 4.09Å
247A50.7Low59.3Low41 Ų4173.6 Ų73.634%0.33942%0.422SS..Hα-helixtrans-67-40.8175.400000112.1S244 S250S244-A247 PolarHBondContact O-N 2.91Å; A247-S250 PolarHBondContact O-N 3.43Å
248A48.3Very low57.1Low37 Ų3776.6 Ų76.631%0.30643%0.426SS..Hα-helixtrans-70.9-36.9-178.500000113.6S244 S250 E251 T269S244-A248 PolarHBondContact O-N 3.18Å; A248-S250 VanDerWaalsContact C-N 3.26Å; A248-S250 PolarHBondContact O-N 2.86Å; A248-E251 PolarHBondContact O-N 3.28Å; A248-T269 HydrophobicContact CB-CG2 3.92Å
249S46.5Very low54.7Low46 Ų4681.9 Ų81.932%0.32245%0.451SS..Hα-helixtrans-68-24.1176.242.10000113.4F245 I246F245-S249 PolarHBondContact O-N 3.17Å; F245-S249 PolarHBondContact O-OG 3.27Å; I246-S249 PolarHBondContact O-OG 2.86Å
250S47.7Very low52.5Low37 Ų3786.1 Ų86.126%0.25947%0.465SS..THydrogen-bonded Turntrans-85.2-13.5178-55.60000113.8I246 A247 A248I246-S250 PolarHBondContact O-N 3.25Å; I246-S250 PolarHBondContact O-OG 3.38Å; A247-S250 PolarHBondContact O-N 3.43Å; A248-S250 VanDerWaalsContact C-N 3.26Å; A248-S250 PolarHBondContact O-N 2.86Å
251E47.5Very low50.9Low108 Ų10884.4 Ų84.451%0.50546%0.459SS..THydrogen-bonded Turntrans-86.6-15178.8-76.8-178.2173.300113.2A248 K426 R430A248-E251 PolarHBondContact O-N 3.28Å; E251-K426 IonicContact OE1-NZ 2.73Å; E251-R430 IonicContact OE1-NH2 3.86Å
252G43.2Very low49Very low74 Ų7490.7 Ų90.776%0.76348%0.481SS*.SBendtrans-109.20.3-178.500000116.1
253D43.8Very low47.7Very low72 Ų7290.6 Ų90.639%0.38548%0.482SS..  trans-133.479.8-176.5-154.4-0.1000109.6Q255 Q256D253-Q255 PolarHBondContact O-N 2.97Å; D253-Q255 VanDerWaalsContact O-N 3.15Å; D253-Q256 VanDerWaalsContact OD2-CG 3.25Å; D253-Q256 WeakPolarHBondContact OD2-CG 3.3Å; D253-Q256 PolarHBondContact OD2-NE2 3.4Å
254E45Very low46.4Very low164 Ų16492.4 Ų92.477%0.76650%0.499SS*.THydrogen-bonded Turntrans-71.93.1-176.8-72.3-164.6140.900113.9
255Q40.1Very low45.9Very low180 Ų18094.7 Ų94.784%0.84151%0.511SS*.THydrogen-bonded Turntrans-130.37.4-173-95135.6-22.800116.9D253D253-Q255 PolarHBondContact O-N 2.97Å; D253-Q255 VanDerWaalsContact O-N 3.15Å
256Q39.7Very low45.7Very low111 Ų11198 Ų9852%0.51954%0.536SS..  trans-81.2135.7177-91.8-16827.100114.4D253D253-Q256 VanDerWaalsContact OD2-CG 3.25Å; D253-Q256 WeakPolarHBondContact OD2-CG 3.3Å; D253-Q256 PolarHBondContact OD2-NE2 3.4Å
257P37.5Very low46.1Very low106 Ų106105.1 Ų105.169%0.68857%0.566SS**  trans-64.7142.8176.325.5-31.1000111.6D259P257-D259 PolarHBondContact O-N 3.5Å
258K45.6Very low46.7Very low175 Ų175107 Ų10776%0.76157%0.57SS**THydrogen-bonded Turntrans-55.3-10.7-168.3-71.1179174.3-177.30117
259D38.5Very low47.8Very low156 Ų156106.8 Ų106.883%0.83457%0.565SS**THydrogen-bonded Turntrans-96.9-8.8-168.2-83.6-10.8000116.1P257P257-D259 PolarHBondContact O-N 3.5Å
260K39.1Very low48.8Very low139 Ų139109.3 Ų109.360%0.60458%0.582SS**  trans-139.486.9178.4-79.6177.6-178.5161.40111.5R262K260-R262 HydrophobicContact CB-CG 4.5Å; K260-R262 PolarHBondContact O-N 3.01Å
261I47.9Very low49.9Very low87 Ų87113.5 Ų113.545%0.44660%0.598SS.*  trans-64.780.5159.2-55.5173.4000107.3I246 V263I246-I261 HydrophobicContact CG2-CG2 4.14Å; I261-V263 PolarHBondContact O-N 3.12Å
262R42.7Very low51.2Low192 Ų192109.8 Ų109.873%0.72558%0.58SS**  trans-80.198.4172-91.1-175.5178.5-173.80.9107.8K260 A264K260-R262 HydrophobicContact CB-CG 4.5Å; K260-R262 PolarHBondContact O-N 3.01Å; R262-A264 PolarHBondContact O-N 2.96Å
263V48.7Very low52.7Low54 Ų54109.7 Ų109.733%0.32757%0.568SS.*  trans-57.6108.4163.6165.60000107.8F245 I246 I261 V265F245-V263 HydrophobicContact CD1-CB 4.35Å; F245-V263 HydrophobicContact CD1-CG1 3.73Å; F245-V263 HydrophobicContact CD1-CG2 3.95Å; F245-V263 HydrophobicContact CE1-CB 3.66Å; F245-V263 HydrophobicContact CE1-CG1 3.04Å; F245-V263 HydrophobicContact CE1-CG2 3.69Å; F245-V263 HydrophobicContact CZ-CB 4.5Å; F245-V263 HydrophobicContact CZ-CG1 3.62Å; I246-V263 HydrophobicContact CG1-CG2 4.44Å; I261-V263 PolarHBondContact O-N 3.12Å; V263-V265 PolarHBondContact O-N 3.38Å
264A45.6Very low54.3Low54 Ų54110.4 Ų110.445%0.44657%0.574SS.*  trans-62.5103.2173.600000108.9R262 C266 K267R262-A264 PolarHBondContact O-N 2.96Å; A264-C266 PolarHBondContact O-N 2.97Å; A264-K267 HydrophobicContact CB-CB 4.15Å; A264-K267 PolarHBondContact O-N 3.36Å
265V53.8Low55.9Low114 Ų114104.2 Ų104.269%0.69155%0.55SS*.THydrogen-bonded Turntrans-56.7-27.5-169.8178.70000112.6V263 R398V263-V265 PolarHBondContact O-N 3.38Å; V265-R398 PolarHBondContact O-NH1 3.34Å
266C52.5Low57.8Low98 Ų9896.6 Ų96.666%0.66252%0.516SS*.THydrogen-bonded Turntrans-110.8-3.2-171.7-143.10000115.5A264A264-C266 PolarHBondContact O-N 2.97Å
267K63.8Low60Low162 Ų16297.5 Ų97.570%0.70452%0.519SS*.PPolyproline II helixtrans-86.5122.9-180-160.2170.4-178.9176.60109.9A264 R398A264-K267 HydrophobicContact CB-CB 4.15Å; A264-K267 PolarHBondContact O-N 3.36Å; K267-R398 PolarHBondContact O-NH1 2.83Å; K267-R398 PolarHBondContact O-NH2 2.92Å
268I63.5Low62.3Low82 Ų8297.3 Ų97.342%0.42151%0.511SS..PPolyproline II helixtrans-83.1129.4173.3-62.9174.4000108.1E272 C273I268-E272 HydrophobicContact CG2-CB 4.04Å; I268-C273 HydrophobicContact CG2-CB 4.26Å
269T70.3Confident64.2Low32 Ų3289.4 Ų89.420%0.19648%0.477CS..PPolyproline II helixtrans-79.7149178.4-42.10000109.9A248 Q271 E272 C273A248-T269 HydrophobicContact CB-CG2 3.92Å; T269-Q271 PolarHBondContact O-N 3.06Å; T269-E272 WeakPolarHBondContact CB-OE2 3.41Å; T269-E272 PolarHBondContact N-OE2 2.95Å; T269-E272 WeakPolarHBondContact O-CA 3.32Å; T269-E272 WeakPolarHBondContact O-CB 3.38Å; T269-E272 PolarHBondContact O-N 2.92Å; T269-E272 PolarHBondContact OG1-OE2 2.93Å; T269-C273 PolarHBondContact O-N 3.37Å
270S67.9Low66.7Low98 Ų9884 Ų8469%0.68545%0.448SS*.Hα-helixtrans-53.7-38.7177.757.20000113E272 C273 T274S270-E272 PolarHBondContact O-N 2.92Å; S270-C273 WeakPolarHBondContact O-CB 3.36Å; S270-C273 PolarHBondContact O-N 3Å; S270-T274 PolarHBondContact O-N 3.42Å; S270-T274 VanDerWaalsContact O-N 3.08Å
271Q70.3Confident69.2Low125 Ų12580.1 Ų80.158%0.58444%0.436SS*.Hα-helixtrans-66.2-33.5174.5-171.6-177.96.200113.6T269 T274 S275T269-Q271 PolarHBondContact O-N 3.06Å; Q271-T274 PolarHBondContact O-OG1 3.09Å; Q271-S275 PolarHBondContact O-N 3.38Å
272E75.3Confident71.3Confident30 Ų3080 Ų8014%0.1444%0.435CS..Hα-helixtrans-73.4-34.3175.7-66.4172.2136.200110.6I268 T269 S270 S276 R398I268-E272 HydrophobicContact CG2-CB 4.04Å; T269-E272 WeakPolarHBondContact CB-OE2 3.41Å; T269-E272 PolarHBondContact N-OE2 2.95Å; T269-E272 WeakPolarHBondContact O-CA 3.32Å; T269-E272 WeakPolarHBondContact O-CB 3.38Å; T269-E272 PolarHBondContact O-N 2.92Å; T269-E272 PolarHBondContact OG1-OE2 2.93Å; S270-E272 PolarHBondContact O-N 2.92Å; E272-S276 VanDerWaalsContact O-CB 3.26Å; E272-S276 WeakPolarHBondContact O-CB 3.32Å; E272-S276 PolarHBondContact O-N 3.38Å; E272-R398 IonicContact OE1-CZ 3.93Å; E272-R398 IonicContact OE1-NE 3.82Å; E272-R398 IonicContact OE1-NH2 2.89Å; E272-R398 PolarHBondContact OE1-NH2 3.35Å; E272-R398 IonicContact OE2-NH2 3.13Å; E272-R398 PolarHBondContact OE2-NH2 2.85Å
273C75.3Confident73.6Confident73 Ų7371 Ų7149%0.49340%0.401SS..Hα-helixtrans-63.7-46.9175.4-173.50000111.8I268 T269 S270 S275 S276 F277I268-C273 HydrophobicContact CG2-CB 4.26Å; T269-C273 PolarHBondContact O-N 3.37Å; S270-C273 WeakPolarHBondContact O-CB 3.36Å; S270-C273 PolarHBondContact O-N 3Å; C273-S275 PolarHBondContact O-N 2.92Å; C273-S276 WeakPolarHBondContact O-CB 3.44Å; C273-S276 PolarHBondContact O-N 3.34Å; C273-F277 WeakPolarHBondContact O-CB 3.28Å; C273-F277 PolarHBondContact O-N 3.25Å
274T77.6Confident75.7Confident86 Ų8670 Ų7053%0.52840%0.396SS..Hα-helixtrans-63.1-42177.955.30000112.3S270 Q271 S276 F277 I278S270-T274 PolarHBondContact O-N 3.42Å; S270-T274 VanDerWaalsContact O-N 3.08Å; Q271-T274 PolarHBondContact O-OG1 3.09Å; T274-S276 VanDerWaalsContact C-N 3.35Å; T274-S276 PolarHBondContact O-N 2.95Å; T274-F277 PolarHBondContact O-N 3.29Å; T274-I278 WeakPolarHBondContact O-CG1 3.31Å; T274-I278 PolarHBondContact O-N 2.91Å
275S77.8Confident78Confident35 Ų3572.3 Ų72.325%0.24540%0.4CS..Hα-helixtrans-65.6-36.9175.8-172.90000113Q271 C273 S279Q271-S275 PolarHBondContact O-N 3.38Å; C273-S275 PolarHBondContact O-N 2.92Å; S275-S279 PolarHBondContact O-N 3.33Å; S275-S279 PolarHBondContact O-OG 2.84Å
276S81.1Confident79.9Confident19 Ų1972.7 Ų72.713%0.13339%0.39CS..Hα-helixtrans-66.6-43.1174.9-173.70000111.1E272 C273 T274 S279 L280 V390E272-S276 VanDerWaalsContact O-CB 3.26Å; E272-S276 WeakPolarHBondContact O-CB 3.32Å; E272-S276 PolarHBondContact O-N 3.38Å; C273-S276 WeakPolarHBondContact O-CB 3.44Å; C273-S276 PolarHBondContact O-N 3.34Å; T274-S276 VanDerWaalsContact C-N 3.35Å; T274-S276 PolarHBondContact O-N 2.95Å; S276-S279 CarbonylContact O-C 3.54Å; S276-S279 WeakPolarHBondContact O-CB 3.13Å; S276-S279 PolarHBondContact O-N 2.83Å; S276-S279 VanDerWaalsContact O-N 3.14Å; S276-L280 PolarHBondContact O-N 2.87Å; S276-V390 VanDerWaalsContact OG-CG1 3.25Å; S276-V390 WeakPolarHBondContact OG-CG1 3.46Å
277F85.3Confident81.7Confident131 Ų13168.4 Ų68.458%0.57536%0.36SS*.Hα-helixtrans-61.3-46.1177-177.1-100.6000112.7C273 T274 S279 L280 V281C273-F277 WeakPolarHBondContact O-CB 3.28Å; C273-F277 PolarHBondContact O-N 3.25Å; T274-F277 PolarHBondContact O-N 3.29Å; F277-S279 PolarHBondContact O-N 3.44Å; F277-L280 VanDerWaalsContact O-CB 3.31Å; F277-L280 WeakPolarHBondContact O-CB 3.5Å; F277-L280 PolarHBondContact O-N 3.48Å; F277-L280 VanDerWaalsContact O-N 3.09Å; F277-V281 HydrophobicContact CD1-CG2 4.28Å; F277-V281 HydrophobicContact CE1-CG2 3.86Å; F277-V281 HydrophobicContact CE2-CG2 4.49Å; F277-V281 HydrophobicContact CZ-CG2 3.98Å; F277-V281 WeakPolarHBondContact O-CG2 3.38Å; F277-V281 PolarHBondContact O-N 3.47Å
278I86.1Confident83.2Confident102 Ų10265 Ų6552%0.52335%0.349SS..Hα-helixtrans-58-42.5174.6-66.2165.8000110.5T274 L280 V281 I282T274-I278 WeakPolarHBondContact O-CG1 3.31Å; T274-I278 PolarHBondContact O-N 2.91Å; I278-L280 VanDerWaalsContact C-N 3.32Å; I278-L280 PolarHBondContact O-N 3.46Å; I278-V281 PolarHBondContact O-N 3.27Å; I278-I282 HydrophobicContact CG2-CD1 3.97Å; I278-I282 WeakPolarHBondContact O-CG1 3.49Å; I278-I282 PolarHBondContact O-N 3.17Å; I278-I282 VanDerWaalsContact O-N 3.07Å
279S86.3Confident84.6Confident8 Ų864.2 Ų64.26%0.05635%0.35CS..Hα-helixtrans-64.8-37.7177.9-59.20000112.1R96 S275 S276 F277 V283R96-S279 PolarHBondContact NH2-OG 3.18Å; S275-S279 PolarHBondContact O-N 3.33Å; S275-S279 PolarHBondContact O-OG 2.84Å; S276-S279 CarbonylContact O-C 3.54Å; S276-S279 WeakPolarHBondContact O-CB 3.13Å; S276-S279 PolarHBondContact O-N 2.83Å; S276-S279 VanDerWaalsContact O-N 3.14Å; F277-S279 PolarHBondContact O-N 3.44Å; S279-V283 VanDerWaalsContact O-CG2 3.24Å; S279-V283 WeakPolarHBondContact O-CG2 3.4Å; S279-V283 PolarHBondContact O-N 2.88Å
280L90.8Very high85.7Confident44 Ų4463.1 Ų63.123%0.2334%0.343CS..Hα-helixtrans-61.8-50.1175.3-172.169.7000110.6S276 F277 I278 I282 V283 T284 Y387 V390S276-L280 PolarHBondContact O-N 2.87Å; F277-L280 VanDerWaalsContact O-CB 3.31Å; F277-L280 WeakPolarHBondContact O-CB 3.5Å; F277-L280 PolarHBondContact O-N 3.48Å; F277-L280 VanDerWaalsContact O-N 3.09Å; I278-L280 VanDerWaalsContact C-N 3.32Å; I278-L280 PolarHBondContact O-N 3.46Å; L280-I282 PolarHBondContact O-N 2.94Å; L280-V283 PolarHBondContact O-N 3.29Å; L280-T284 HydrophobicContact CG-CG2 4.33Å; L280-T284 WeakPolarHBondContact O-CG2 3.37Å; L280-T284 PolarHBondContact O-N 3.48Å; L280-Y387 HydrophobicContact CD1-CD1 3.44Å; L280-Y387 VanDerWaalsContact CD1-CD1 3.44Å; L280-Y387 HydrophobicContact CD1-CE1 3.42Å; L280-Y387 VanDerWaalsContact CD1-CE1 3.42Å; L280-Y387 HydrophobicContact CD1-CG 4.33Å; L280-Y387 HydrophobicContact CG-CE1 4.4Å; L280-V390 HydrophobicContact CB-CG1 4.48Å
281V91.8Very high86.9Confident57 Ų5762.3 Ų62.335%0.34533%0.334SS..Hα-helixtrans-56.8-48.4177.9174.20000110.9F277 I278 V283 T284 L285F277-V281 HydrophobicContact CD1-CG2 4.28Å; F277-V281 HydrophobicContact CE1-CG2 3.86Å; F277-V281 HydrophobicContact CE2-CG2 4.49Å; F277-V281 HydrophobicContact CZ-CG2 3.98Å; F277-V281 WeakPolarHBondContact O-CG2 3.38Å; F277-V281 PolarHBondContact O-N 3.47Å; I278-V281 PolarHBondContact O-N 3.27Å; V281-V283 VanDerWaalsContact C-N 3.33Å; V281-V283 PolarHBondContact O-N 3.14Å; V281-T284 WeakPolarHBondContact CA-OG1 3.31Å; V281-T284 PolarHBondContact O-N 3.25Å; V281-T284 VanDerWaalsContact O-N 3.15Å; V281-T284 PolarHBondContact O-OG1 2.98Å; V281-L285 HydrophobicContact CG1-CD1 4.22Å; V281-L285 WeakPolarHBondContact O-CG 3.43Å; V281-L285 PolarHBondContact O-N 3.34Å
282I90.6Very high88.1Confident83 Ų8361.7 Ų61.743%0.42633%0.334SS..Hα-helixtrans-58.6-46.6178.7-67.2166.6000111.1I278 L280 T284 L285 Y286I278-I282 HydrophobicContact CG2-CD1 3.97Å; I278-I282 WeakPolarHBondContact O-CG1 3.49Å; I278-I282 PolarHBondContact O-N 3.17Å; I278-I282 VanDerWaalsContact O-N 3.07Å; L280-I282 PolarHBondContact O-N 2.94Å; I282-T284 VanDerWaalsContact C-N 3.34Å; I282-T284 PolarHBondContact O-N 3.05Å; I282-L285 PolarHBondContact O-N 2.9Å; I282-Y286 HydrophobicContact CG2-CD2 3.95Å; I282-Y286 HydrophobicContact CG2-CE2 3.71Å; I282-Y286 VanDerWaalsContact O-CD2 3.26Å; I282-Y286 WeakPolarHBondContact O-CD2 3.5Å; I282-Y286 PolarHBondContact O-N 3.21Å
283V91.9Very high89Confident3 Ų363.1 Ų63.12%0.01834%0.342CS..Hα-helixtrans-60.8-45.9177.4170.90000110.2S279 L280 V281 L285 Y286 F287 Y387 V390S279-V283 VanDerWaalsContact O-CG2 3.24Å; S279-V283 WeakPolarHBondContact O-CG2 3.4Å; S279-V283 PolarHBondContact O-N 2.88Å; L280-V283 PolarHBondContact O-N 3.29Å; V281-V283 VanDerWaalsContact C-N 3.33Å; V281-V283 PolarHBondContact O-N 3.14Å; V283-L285 VanDerWaalsContact C-N 3.31Å; V283-L285 PolarHBondContact O-N 3.39Å; V283-Y286 PolarHBondContact O-N 3.04Å; V283-F287 HydrophobicContact CG1-CD2 3.66Å; V283-F287 HydrophobicContact CG1-CE2 3.72Å; V283-F287 VanDerWaalsContact O-CD2 3.25Å; V283-F287 WeakPolarHBondContact O-CD2 3.5Å; V283-F287 PolarHBondContact O-N 3.17Å; V283-F287 VanDerWaalsContact O-N 3.13Å; V283-Y387 HydrophobicContact CG1-CD2 3.98Å; V283-Y387 HydrophobicContact CG1-CE2 3.78Å; V283-V390 HydrophobicContact CG2-CG2 4.28Å
284T92.6Very high89.9Confident35 Ų3560.4 Ų60.422%0.21532%0.324CS..Hα-helixtrans-57.1-43.6178.9690000111.9L280 V281 I282 Y286 F287 I288 Y387L280-T284 HydrophobicContact CG-CG2 4.33Å; L280-T284 WeakPolarHBondContact O-CG2 3.37Å; L280-T284 PolarHBondContact O-N 3.48Å; V281-T284 WeakPolarHBondContact CA-OG1 3.31Å; V281-T284 PolarHBondContact O-N 3.25Å; V281-T284 VanDerWaalsContact O-N 3.15Å; V281-T284 PolarHBondContact O-OG1 2.98Å; I282-T284 VanDerWaalsContact C-N 3.34Å; I282-T284 PolarHBondContact O-N 3.05Å; T284-Y286 PolarHBondContact O-N 3.4Å; T284-F287 PolarHBondContact O-N 3.43Å; T284-I288 VanDerWaalsContact O-CG1 3.26Å; T284-I288 WeakPolarHBondContact O-CG1 3.12Å; T284-I288 PolarHBondContact O-N 3.08Å; T284-Y387 HydrophobicContact CG2-CE1 4.26Å; T284-Y387 WeakPolarHBondContact CG2-OH 3.03Å
285L93.9Very high90.6Very high101 Ų10159.9 Ų59.953%0.52932%0.32SS..Hα-helixtrans-62.2-44.7179.6-70.1172.2000112.3V281 I282 V283 F287 I288 S289V281-L285 HydrophobicContact CG1-CD1 4.22Å; V281-L285 WeakPolarHBondContact O-CG 3.43Å; V281-L285 PolarHBondContact O-N 3.34Å; I282-L285 PolarHBondContact O-N 2.9Å; V283-L285 VanDerWaalsContact C-N 3.31Å; V283-L285 PolarHBondContact O-N 3.39Å; L285-F287 VanDerWaalsContact C-N 3.33Å; L285-F287 PolarHBondContact O-N 3.28Å; L285-I288 PolarHBondContact O-N 3.4Å; L285-S289 PolarHBondContact O-N 3.15Å; L285-S289 VanDerWaalsContact O-N 3.1Å; L285-S289 PolarHBondContact O-OG 2.87Å
286Y92.9Very high91.4Very high122 Ų12262.2 Ų62.248%0.47833%0.329SS..Hα-helixtrans-60.7-43.4176.4-82.5-69.6000112.1I100 I282 V283 T284 S289 I290I100-Y286 HydrophobicContact CD1-CD2 3.93Å; I100-Y286 HydrophobicContact CD1-CE2 4.42Å; I100-Y286 HydrophobicContact CD1-CG 4.35Å; I100-Y286 HydrophobicContact CG2-CD1 3.98Å; I100-Y286 HydrophobicContact CG2-CD2 4.5Å; I100-Y286 HydrophobicContact CG2-CE1 4.39Å; I100-Y286 HydrophobicContact CG2-CG 4.05Å; I282-Y286 HydrophobicContact CG2-CD2 3.95Å; I282-Y286 HydrophobicContact CG2-CE2 3.71Å; I282-Y286 VanDerWaalsContact O-CD2 3.26Å; I282-Y286 WeakPolarHBondContact O-CD2 3.5Å; I282-Y286 PolarHBondContact O-N 3.21Å; V283-Y286 PolarHBondContact O-N 3.04Å; T284-Y286 PolarHBondContact O-N 3.4Å; Y286-S289 PolarHBondContact O-N 3.29Å; Y286-I290 WeakPolarHBondContact O-CG1 3.27Å; Y286-I290 PolarHBondContact O-N 3.03Å
287F91.8Very high91.9Very high8 Ų861.6 Ų61.64%0.03533%0.325CS..Hα-helixtrans-72.5-32.7-179.4-79.3-77.9000112.7V283 T284 L285 S289 I290 T291 W383V283-F287 HydrophobicContact CG1-CD2 3.66Å; V283-F287 HydrophobicContact CG1-CE2 3.72Å; V283-F287 VanDerWaalsContact O-CD2 3.25Å; V283-F287 WeakPolarHBondContact O-CD2 3.5Å; V283-F287 PolarHBondContact O-N 3.17Å; V283-F287 VanDerWaalsContact O-N 3.13Å; T284-F287 PolarHBondContact O-N 3.43Å; L285-F287 VanDerWaalsContact C-N 3.33Å; L285-F287 PolarHBondContact O-N 3.28Å; F287-S289 VanDerWaalsContact C-N 3.34Å; F287-S289 PolarHBondContact O-N 3.41Å; F287-I290 HydrophobicContact CD1-CD1 4.29Å; F287-I290 HydrophobicContact CE1-CD1 4.47Å; F287-I290 PolarHBondContact O-N 3.29Å; F287-T291 WeakPolarHBondContact O-CB 3.38Å; F287-T291 PolarHBondContact O-N 3.36Å; F287-T291 PolarHBondContact O-OG1 3.14Å; F287-W383 HydrophobicContact CB-CG 4.4Å; F287-W383 HydrophobicContact CD1-CB 3.73Å; F287-W383 AromaticContact CD1-CD1 3.41Å; F287-W383 VanDerWaalsContact CD1-CD1 3.41Å; F287-W383 AromaticContact CD1-CG 3.79Å; F287-W383 HydrophobicContact CD1-CG 3.79Å; F287-W383 AromaticContact CD2-CD1 3.3Å; F287-W383 HydrophobicContact CD2-CG 4.34Å; F287-W383 AromaticContact CD2-NE1 3.96Å; F287-W383 VanDerWaalsContact CE1-CA 3.46Å; F287-W383 HydrophobicContact CE1-CB 3.57Å; F287-W383 AromaticContact CE1-CD1 3.89Å; F287-W383 HydrophobicContact CE1-CG 4.1Å; F287-W383 AromaticContact CE2-CD1 3.78Å; F287-W383 HydrophobicContact CG-CB 4.31Å; F287-W383 AromaticContact CG-CD1 3.09Å; F287-W383 AromaticContact CG-CG 3.93Å; F287-W383 HydrophobicContact CG-CG 3.93Å; F287-W383 AromaticContact CG-NE1 3.65Å; F287-W383 VanDerWaalsContact CZ-CA 3.42Å; F287-W383 HydrophobicContact CZ-CB 4.04Å; F287-W383 HydrophobicContact CZ-CG 4.5Å
288I94.1Very high92.2Very high91 Ų9158.7 Ų58.747%0.46731%0.313SS..Hα-helixtrans-57.6-49.2169.3-71.2163.7000110T284 L285 I290 T291 L292T284-I288 VanDerWaalsContact O-CG1 3.26Å; T284-I288 WeakPolarHBondContact O-CG1 3.12Å; T284-I288 PolarHBondContact O-N 3.08Å; L285-I288 PolarHBondContact O-N 3.4Å; I288-I290 VanDerWaalsContact C-N 3.32Å; I288-I290 PolarHBondContact O-N 2.87Å; I288-T291 PolarHBondContact O-N 3.34Å; I288-L292 HydrophobicContact CG2-CD1 4.13Å; I288-L292 HydrophobicContact CG2-CG 4.42Å; I288-L292 VanDerWaalsContact O-CG 3.32Å; I288-L292 WeakPolarHBondContact O-CG 3.28Å; I288-L292 PolarHBondContact O-N 2.98Å
289S93.9Very high92.5Very high65 Ų6557.1 Ų57.146%0.45531%0.307SS..Hα-helixtrans-59.1-41.7177.5-58.60000112.7L285 Y286 F287 L292 I293L285-S289 PolarHBondContact O-N 3.15Å; L285-S289 VanDerWaalsContact O-N 3.1Å; L285-S289 PolarHBondContact O-OG 2.87Å; Y286-S289 PolarHBondContact O-N 3.29Å; F287-S289 VanDerWaalsContact C-N 3.34Å; F287-S289 PolarHBondContact O-N 3.41Å; S289-L292 PolarHBondContact O-N 2.88Å; S289-I293 WeakPolarHBondContact O-CG1 3.5Å; S289-I293 PolarHBondContact O-N 3.41Å
290I93.1Very high92.6Very high10 Ų1057.5 Ų57.55%0.05131%0.309CS..Hα-helixtrans-65-46.2176.6-68.4167.8000110.6L107 Y286 F287 I288 L292 I293 V294 L379L107-I290 HydrophobicContact CD1-CG2 4.39Å; Y286-I290 WeakPolarHBondContact O-CG1 3.27Å; Y286-I290 PolarHBondContact O-N 3.03Å; F287-I290 HydrophobicContact CD1-CD1 4.29Å; F287-I290 HydrophobicContact CE1-CD1 4.47Å; F287-I290 PolarHBondContact O-N 3.29Å; I288-I290 VanDerWaalsContact C-N 3.32Å; I288-I290 PolarHBondContact O-N 2.87Å; I290-L292 VanDerWaalsContact C-N 3.31Å; I290-L292 PolarHBondContact O-N 3.44Å; I290-I293 PolarHBondContact O-N 3.02Å; I290-V294 HydrophobicContact CG2-CG2 4.48Å; I290-V294 WeakPolarHBondContact O-CG2 3.22Å; I290-V294 PolarHBondContact O-N 3.24Å; I290-L379 HydrophobicContact CG2-CD1 4.24Å; I290-L379 HydrophobicContact CG2-CD2 4.3Å
291T93.2Very high92.6Very high80 Ų8057.5 Ų57.549%0.49131%0.307SS..Hα-helixtrans-60.1-41.4178-64.10000111.3F287 I288 I293 V294 V295F287-T291 WeakPolarHBondContact O-CB 3.38Å; F287-T291 PolarHBondContact O-N 3.36Å; F287-T291 PolarHBondContact O-OG1 3.14Å; I288-T291 PolarHBondContact O-N 3.34Å; T291-I293 VanDerWaalsContact C-N 3.3Å; T291-I293 PolarHBondContact O-N 2.76Å; T291-V294 PolarHBondContact O-N 3.17Å; T291-V295 HydrophobicContact CG2-CG2 4.19Å; T291-V295 WeakPolarHBondContact O-CB 3.48Å; T291-V295 VanDerWaalsContact O-CG2 3.28Å; T291-V295 WeakPolarHBondContact O-CG2 3.42Å; T291-V295 PolarHBondContact O-N 2.97Å
292L95.1Very high92.5Very high113 Ų11359.5 Ų59.559%0.59231%0.312SS*.Hα-helixtrans-58.4-41.7176.1-72.3172000112.1I288 S289 I290 V295 L296I288-L292 HydrophobicContact CG2-CD1 4.13Å; I288-L292 HydrophobicContact CG2-CG 4.42Å; I288-L292 VanDerWaalsContact O-CG 3.32Å; I288-L292 WeakPolarHBondContact O-CG 3.28Å; I288-L292 PolarHBondContact O-N 2.98Å; S289-L292 PolarHBondContact O-N 2.88Å; I290-L292 VanDerWaalsContact C-N 3.31Å; I290-L292 PolarHBondContact O-N 3.44Å; L292-V295 PolarHBondContact O-N 3.43Å; L292-L296 WeakPolarHBondContact O-CB 3.33Å; L292-L296 PolarHBondContact O-N 2.84Å
293I94.1Very high92.3Very high59 Ų5959.2 Ų59.230%0.30331%0.31SS..Hα-helixtrans-71.6-37179-60.6166.7000111.3L107 V111 I115 S289 I290 T291 L296 D297L107-I293 HydrophobicContact CD1-CB 4.01Å; L107-I293 HydrophobicContact CD1-CG2 3.75Å; L107-I293 HydrophobicContact CD2-CB 4.15Å; L107-I293 HydrophobicContact CD2-CD1 3.6Å; L107-I293 HydrophobicContact CD2-CG1 4.46Å; L107-I293 HydrophobicContact CD2-CG2 4.03Å; L107-I293 HydrophobicContact CG-CG2 4.11Å; V111-I293 HydrophobicContact CG1-CG2 4.33Å; I115-I293 HydrophobicContact CD1-CG2 4.04Å; S289-I293 WeakPolarHBondContact O-CG1 3.5Å; S289-I293 PolarHBondContact O-N 3.41Å; I290-I293 PolarHBondContact O-N 3.02Å; T291-I293 VanDerWaalsContact C-N 3.3Å; T291-I293 PolarHBondContact O-N 2.76Å; I293-L296 WeakPolarHBondContact O-CB 3.23Å; I293-L296 PolarHBondContact O-N 3.39Å; I293-D297 PolarHBondContact O-N 3.3Å; I293-D297 VanDerWaalsContact O-N 3.12Å
294V93.6Very high91.8Very high17 Ų1759 Ų5910%0.10331%0.31CS..Hα-helixtrans-65.6-43173.8173.70000111.1L107 V111 I290 T291 L296 D297 H298 L379L107-V294 HydrophobicContact CD1-CG2 4.04Å; V111-V294 HydrophobicContact CG2-CG2 4.34Å; I290-V294 HydrophobicContact CG2-CG2 4.48Å; I290-V294 WeakPolarHBondContact O-CG2 3.22Å; I290-V294 PolarHBondContact O-N 3.24Å; T291-V294 PolarHBondContact O-N 3.17Å; V294-L296 VanDerWaalsContact C-N 3.28Å; V294-L296 PolarHBondContact O-N 2.87Å; V294-D297 WeakPolarHBondContact O-CB 3.46Å; V294-D297 PolarHBondContact O-N 3.23Å; V294-D297 VanDerWaalsContact O-N 3.14Å; V294-H298 PolarHBondContact O-CD2 2.97Å; V294-H298 PolarHBondContact O-N 3.18Å; V294-L379 HydrophobicContact CG2-CD1 3.91Å
295V93.5Very high91.4Very high74 Ų7461.6 Ų61.645%0.44832%0.319SS..Hα-helixtrans-61-41.1174.6169.40000110.3T291 L292 D297 H298 V299T291-V295 HydrophobicContact CG2-CG2 4.19Å; T291-V295 WeakPolarHBondContact O-CB 3.48Å; T291-V295 VanDerWaalsContact O-CG2 3.28Å; T291-V295 WeakPolarHBondContact O-CG2 3.42Å; T291-V295 PolarHBondContact O-N 2.97Å; L292-V295 PolarHBondContact O-N 3.43Å; V295-D297 VanDerWaalsContact C-N 3.28Å; V295-D297 PolarHBondContact O-N 2.58Å; V295-H298 PolarHBondContact O-N 3.29Å; V295-H298 VanDerWaalsContact O-N 3.16Å; V295-V299 HydrophobicContact CG1-CG2 4.13Å; V295-V299 WeakPolarHBondContact O-CG2 3.32Å; V295-V299 PolarHBondContact O-N 2.93Å
296L93.1Very high91Very high85 Ų8561.5 Ų61.545%0.44532%0.323SS..Hα-helixtrans-57.4-40.6174.3-179.563.9000112L292 I293 V294 H298 V299 V300L292-L296 WeakPolarHBondContact O-CB 3.33Å; L292-L296 PolarHBondContact O-N 2.84Å; I293-L296 WeakPolarHBondContact O-CB 3.23Å; I293-L296 PolarHBondContact O-N 3.39Å; V294-L296 VanDerWaalsContact C-N 3.28Å; V294-L296 PolarHBondContact O-N 2.87Å; L296-H298 PolarHBondContact O-N 3.27Å; L296-V299 PolarHBondContact O-N 3.23Å; L296-V300 HydrophobicContact CD1-CG2 4.04Å; L296-V300 HydrophobicContact CG-CG2 4.3Å; L296-V300 WeakPolarHBondContact O-CB 3.33Å; L296-V300 VanDerWaalsContact O-CG2 3.26Å; L296-V300 WeakPolarHBondContact O-CG2 3.36Å; L296-V300 PolarHBondContact O-N 3.15Å
297D93.1Very high90.3Very high6 Ų657.7 Ų57.73%0.03231%0.31CS..Hα-helixtrans-60.6-44.6175.2-170.435.6000112.5V111 N114 I115 I293 V294 V295 Y301V111-D297 HydrophobicContact CG1-CB 3.76Å; N114-D297 VanDerWaalsContact ND2-CG 3.3Å; N114-D297 PolarHBondContact ND2-OD1 3.48Å; N114-D297 PolarHBondContact ND2-OD2 3.13Å; I115-D297 HydrophobicContact CD1-CB 3.99Å; I115-D297 HydrophobicContact CG1-CB 3.58Å; I115-D297 WeakPolarHBondContact CG1-OD1 3.4Å; I115-D297 PolarHBondContact N-OD1 3.26Å; I293-D297 PolarHBondContact O-N 3.3Å; I293-D297 VanDerWaalsContact O-N 3.12Å; V294-D297 WeakPolarHBondContact O-CB 3.46Å; V294-D297 PolarHBondContact O-N 3.23Å; V294-D297 VanDerWaalsContact O-N 3.14Å; V295-D297 VanDerWaalsContact C-N 3.28Å; V295-D297 PolarHBondContact O-N 2.58Å; D297-Y301 WeakPolarHBondContact O-CB 3.32Å; D297-Y301 PolarHBondContact O-N 3Å
298H91.5Very high89.5Confident70 Ų7060.3 Ų60.332%0.32433%0.326SS..Hα-helixtrans-63.5-42.9174.1-80.3-85.4000112.5V294 V295 L296 Y301 H302V294-H298 PolarHBondContact O-CD2 2.97Å; V294-H298 PolarHBondContact O-N 3.18Å; V295-H298 PolarHBondContact O-N 3.29Å; V295-H298 VanDerWaalsContact O-N 3.16Å; L296-H298 PolarHBondContact O-N 3.27Å; H298-Y301 PolarHBondContact O-N 2.97Å; H298-H302 PolarHBondContact O-CD2 3.3Å; H298-H302 PolarHBondContact O-N 3.46Å
299V91.6Very high88.6Confident68 Ų6859 Ų5941%0.41232%0.324SS..Hα-helixtrans-61.6-49.4177.7169.30000110.5V295 L296 Y301 H302 I303V295-V299 HydrophobicContact CG1-CG2 4.13Å; V295-V299 WeakPolarHBondContact O-CG2 3.32Å; V295-V299 PolarHBondContact O-N 2.93Å; L296-V299 PolarHBondContact O-N 3.23Å; V299-Y301 VanDerWaalsContact C-N 3.33Å; V299-Y301 PolarHBondContact O-N 3.29Å; V299-H302 PolarHBondContact O-N 3.4Å; V299-I303 HydrophobicContact CG1-CD1 3.75Å; V299-I303 HydrophobicContact CG1-CG1 4.35Å; V299-I303 VanDerWaalsContact O-CG1 3.27Å; V299-I303 WeakPolarHBondContact O-CG1 3.1Å; V299-I303 PolarHBondContact O-N 3.41Å
300V89.4Confident87.8Confident16 Ų1663.1 Ų63.110%0.09733%0.33CS..Hα-helixtrans-62.3-41.6179.1175.40000110.8N118 V119 L296 I303 V304N118-V300 HydrophobicContact CB-CG1 3.62Å; V119-V300 HydrophobicContact CG2-CG1 3.85Å; L296-V300 HydrophobicContact CD1-CG2 4.04Å; L296-V300 HydrophobicContact CG-CG2 4.3Å; L296-V300 WeakPolarHBondContact O-CB 3.33Å; L296-V300 VanDerWaalsContact O-CG2 3.26Å; L296-V300 WeakPolarHBondContact O-CG2 3.36Å; L296-V300 PolarHBondContact O-N 3.15Å; V300-I303 PolarHBondContact O-N 3.04Å; V300-V304 WeakPolarHBondContact O-CG2 3.42Å; V300-V304 PolarHBondContact O-N 2.67Å; V300-V304 VanDerWaalsContact O-N 3.08Å
301Y90Very high86.7Confident44 Ų4463.2 Ų63.217%0.17333%0.331CS..Hα-helixtrans-58.6-47.9175172.7-106.3000112.2D297 H298 V299 V304 Q305 A370 P371D297-Y301 WeakPolarHBondContact O-CB 3.32Å; D297-Y301 PolarHBondContact O-N 3Å; H298-Y301 PolarHBondContact O-N 2.97Å; V299-Y301 VanDerWaalsContact C-N 3.33Å; V299-Y301 PolarHBondContact O-N 3.29Å; Y301-V304 PolarHBondContact O-N 3.36Å; Y301-Q305 HydrophobicContact CE1-CG 4.41Å; Y301-Q305 HydrophobicContact CE2-CG 4.47Å; Y301-Q305 VanDerWaalsContact CZ-NE2 3.28Å; Y301-Q305 PolarHBondContact O-N 3.39Å; Y301-Q305 VanDerWaalsContact O-N 3.15Å; Y301-Q305 PolarHBondContact OH-NE2 3.36Å; Y301-A370 HydrophobicContact CE2-CB 3.85Å; Y301-P371 HydrophobicContact CG-CG 4.44Å
302H88.8Confident85.4Confident99 Ų9964.8 Ų64.846%0.45833%0.334SS..Hα-helixtrans-66.7-36.6177.7-76.8-57.8000112.9H298 V299 V304 Q305 V306H298-H302 PolarHBondContact O-CD2 3.3Å; H298-H302 PolarHBondContact O-N 3.46Å; V299-H302 PolarHBondContact O-N 3.4Å; H302-V304 VanDerWaalsContact C-N 3.31Å; H302-V304 PolarHBondContact O-N 3.39Å; H302-Q305 PolarHBondContact ND1-OE1 3.31Å; H302-Q305 WeakPolarHBondContact O-CB 3.44Å; H302-Q305 PolarHBondContact O-N 3.08Å; H302-V306 WeakPolarHBondContact O-CG2 3.38Å; H302-V306 PolarHBondContact O-N 3.13Å
303I86.3Confident84.3Confident77 Ų7765.7 Ų65.740%0.39534%0.339SS..Hα-helixtrans-56.8-47.3173.4-74.2169.2000110.1V122 V299 V300 Q305 V306 I307V122-I303 HydrophobicContact CG2-CG2 4.49Å; V299-I303 HydrophobicContact CG1-CD1 3.75Å; V299-I303 HydrophobicContact CG1-CG1 4.35Å; V299-I303 VanDerWaalsContact O-CG1 3.27Å; V299-I303 WeakPolarHBondContact O-CG1 3.1Å; V299-I303 PolarHBondContact O-N 3.41Å; V300-I303 PolarHBondContact O-N 3.04Å; I303-Q305 VanDerWaalsContact C-N 3.31Å; I303-Q305 PolarHBondContact O-N 3.25Å; I303-V306 PolarHBondContact O-N 2.89Å; I303-I307 HydrophobicContact CG2-CD1 3.39Å; I303-I307 HydrophobicContact CG2-CG1 4.05Å; I303-I307 WeakPolarHBondContact O-CB 3.42Å; I303-I307 VanDerWaalsContact O-CG1 3.31Å; I303-I307 WeakPolarHBondContact O-CG1 3.32Å; I303-I307 PolarHBondContact O-N 3.11Å
304V83.1Confident83.2Confident0 Ų065.9 Ų65.90%034%0.338CS..Hα-helixtrans-61.2-41.6178.1-179.80000111.1N118 A121 V122 I125 V300 Y301 H302 V306 I307 V308 T368N118-V304 HydrophobicContact CB-CG2 4.29Å; N118-V304 WeakPolarHBondContact O-CG2 3.09Å; A121-V304 HydrophobicContact CB-CG1 4.18Å; A121-V304 HydrophobicContact CB-CG2 4.38Å; V122-V304 HydrophobicContact CG2-CG2 3.41Å; V122-V304 VanDerWaalsContact CG2-CG2 3.41Å; I125-V304 HydrophobicContact CD1-CG1 4.28Å; V300-V304 WeakPolarHBondContact O-CG2 3.42Å; V300-V304 PolarHBondContact O-N 2.67Å; V300-V304 VanDerWaalsContact O-N 3.08Å; Y301-V304 PolarHBondContact O-N 3.36Å; H302-V304 VanDerWaalsContact C-N 3.31Å; H302-V304 PolarHBondContact O-N 3.39Å; V304-V306 VanDerWaalsContact C-N 3.27Å; V304-V306 PolarHBondContact O-N 2.93Å; V304-I307 PolarHBondContact O-N 2.98Å; V304-V308 HydrophobicContact CG1-CG2 4.31Å; V304-V308 VanDerWaalsContact O-CG2 3.3Å; V304-V308 WeakPolarHBondContact O-CG2 3.06Å; V304-V308 PolarHBondContact O-N 3.42Å; V304-T368 HydrophobicContact CB-CG2 4.48Å; V304-T368 HydrophobicContact CG1-CG2 3.48Å; V304-T368 VanDerWaalsContact CG1-CG2 3.48Å
305Q83.7Confident82Confident88 Ų8869.1 Ų69.141%0.41136%0.359SS..Hα-helixtrans-63.1-30.9177.8-71.3-170.6-41.900113.7Y301 H302 I303 P309Y301-Q305 HydrophobicContact CE1-CG 4.41Å; Y301-Q305 HydrophobicContact CE2-CG 4.47Å; Y301-Q305 VanDerWaalsContact CZ-NE2 3.28Å; Y301-Q305 PolarHBondContact O-N 3.39Å; Y301-Q305 VanDerWaalsContact O-N 3.15Å; Y301-Q305 PolarHBondContact OH-NE2 3.36Å; H302-Q305 PolarHBondContact ND1-OE1 3.31Å; H302-Q305 WeakPolarHBondContact O-CB 3.44Å; H302-Q305 PolarHBondContact O-N 3.08Å; I303-Q305 VanDerWaalsContact C-N 3.31Å; I303-Q305 PolarHBondContact O-N 3.25Å; Q305-P309 WeakPolarHBondContact O-CD 3.3Å; Q305-P309 WeakPolarHBondContact O-CG 3.49Å
306V84.9Confident81Confident100 Ų10069.6 Ų69.661%0.60636%0.364SS*.Hα-helixtrans-84.5-39.9178.4174.80000111.7H302 I303 V304 V308 P309 W310H302-V306 WeakPolarHBondContact O-CG2 3.38Å; H302-V306 PolarHBondContact O-N 3.13Å; I303-V306 PolarHBondContact O-N 2.89Å; V304-V306 VanDerWaalsContact C-N 3.27Å; V304-V306 PolarHBondContact O-N 2.93Å; V306-V308 PolarHBondContact O-N 3.36Å; V306-P309 WeakPolarHBondContact O-CD 3.35Å; V306-P309 WeakPolarHBondContact O-CG 3.36Å; V306-W310 WeakPolarHBondContact O-CB 3.31Å; V306-W310 PolarHBondContact O-N 3.46Å
307I79.3Confident80.1Confident41 Ų4168 Ų6821%0.2136%0.358CS..Hα-helixtrans-65.6-40.2-177.9-72.9178.1000111.3V122 I125 I303 V304 W310 V311V122-I307 HydrophobicContact CG1-CD1 4.39Å; I125-I307 HydrophobicContact CD1-CG2 4.23Å; I125-I307 HydrophobicContact CG2-CG2 3.81Å; I303-I307 HydrophobicContact CG2-CD1 3.39Å; I303-I307 HydrophobicContact CG2-CG1 4.05Å; I303-I307 WeakPolarHBondContact O-CB 3.42Å; I303-I307 VanDerWaalsContact O-CG1 3.31Å; I303-I307 WeakPolarHBondContact O-CG1 3.32Å; I303-I307 PolarHBondContact O-N 3.11Å; V304-I307 PolarHBondContact O-N 2.98Å; I307-W310 PolarHBondContact O-N 3.01Å; I307-V311 HydrophobicContact CG2-CG2 3.8Å; I307-V311 WeakPolarHBondContact O-CB 3.43Å; I307-V311 WeakPolarHBondContact O-CG2 3.36Å; I307-V311 PolarHBondContact O-N 3.29Å
308V74.3Confident79.2Confident63 Ų6372.4 Ų72.438%0.38239%0.385SS..Hα-helixtrans-54.4-57.2-178169.70000112.4I125 V304 V306 V311 M312I125-V308 HydrophobicContact CD1-CG2 3.53Å; V304-V308 HydrophobicContact CG1-CG2 4.31Å; V304-V308 VanDerWaalsContact O-CG2 3.3Å; V304-V308 WeakPolarHBondContact O-CG2 3.06Å; V304-V308 PolarHBondContact O-N 3.42Å; V306-V308 PolarHBondContact O-N 3.36Å; V308-V311 PolarHBondContact O-N 3.37Å; V308-M312 WeakPolarHBondContact O-CG 3.45Å; V308-M312 PolarHBondContact O-N 3.45Å
309P75.6Confident78.5Confident65 Ų6570 Ų7042%0.42238%0.378SS..Hα-helixtrans-66.1-37.5176.623.8-31.7000112.5Q305 V306 V311 M312 D313Q305-P309 WeakPolarHBondContact O-CD 3.3Å; Q305-P309 WeakPolarHBondContact O-CG 3.49Å; V306-P309 WeakPolarHBondContact O-CD 3.35Å; V306-P309 WeakPolarHBondContact O-CG 3.36Å; P309-V311 VanDerWaalsContact C-N 3.33Å; P309-V311 PolarHBondContact O-N 3.41Å; P309-M312 PolarHBondContact O-N 2.74Å; P309-M312 VanDerWaalsContact O-N 3.15Å; P309-D313 PolarHBondContact O-N 3.1Å
310W76.1Confident77.8Confident151 Ų15169.6 Ų69.657%0.57238%0.381SS*.Hα-helixtrans-60.8-38.7178.4178.281.3000113.4V306 I307 D313 F314V306-W310 WeakPolarHBondContact O-CB 3.31Å; V306-W310 PolarHBondContact O-N 3.46Å; I307-W310 PolarHBondContact O-N 3.01Å; W310-D313 PolarHBondContact O-N 3.25Å; W310-F314 AromaticContact CH2-CD2 3.6Å; W310-F314 HydrophobicContact CH2-CD2 3.6Å; W310-F314 AromaticContact CH2-CE2 3.59Å; W310-F314 HydrophobicContact CH2-CE2 3.59Å; W310-F314 AromaticContact CZ2-CD2 3.55Å; W310-F314 HydrophobicContact CZ2-CD2 3.55Å; W310-F314 AromaticContact CZ2-CE2 3.56Å; W310-F314 HydrophobicContact CZ2-CE2 3.56Å; W310-F314 HydrophobicContact CZ3-CD2 4.19Å; W310-F314 PolarHBondContact O-N 3.36Å
311V69.9Low77.3Confident12 Ų1270.8 Ų70.87%0.07339%0.387CS..Hα-helixtrans-68.9-35.8176.3168.20000111.6I125 T129 I307 V308 P309 D313I125-V311 HydrophobicContact CG2-CB 4.38Å; I125-V311 HydrophobicContact CG2-CG1 4.38Å; I125-V311 HydrophobicContact CG2-CG2 3.78Å; T129-V311 VanDerWaalsContact OG1-CG1 3.23Å; T129-V311 WeakPolarHBondContact OG1-CG1 3.34Å; I307-V311 HydrophobicContact CG2-CG2 3.8Å; I307-V311 WeakPolarHBondContact O-CB 3.43Å; I307-V311 WeakPolarHBondContact O-CG2 3.36Å; I307-V311 PolarHBondContact O-N 3.29Å; V308-V311 PolarHBondContact O-N 3.37Å; P309-V311 VanDerWaalsContact C-N 3.33Å; P309-V311 PolarHBondContact O-N 3.41Å; V311-D313 VanDerWaalsContact C-N 3.31Å
312M67.4Low76.9Confident113 Ų11372.4 Ų72.456%0.55740%0.401SS*.Hα-helixtrans-67.5-33176.5-65.4-62.9-61.700112.1V308 P309 P361V308-M312 WeakPolarHBondContact O-CG 3.45Å; V308-M312 PolarHBondContact O-N 3.45Å; P309-M312 PolarHBondContact O-N 2.74Å; P309-M312 VanDerWaalsContact O-N 3.15Å; M312-P361 HydrophobicContact CE-CB 4.42Å; M312-P361 HydrophobicContact CE-CG 4.27Å; M312-P361 HydrophobicContact SD-CB 3.46Å; M312-P361 WeakPolarHBondContact SD-CB 3.19Å; M312-P361 HydrophobicContact SD-CG 3.73Å
313D71.8Confident76.5Confident132 Ų13269.1 Ų69.171%0.70639%0.388SS*.THydrogen-bonded Turntrans-94.68.5-178-66.7-23.8000113.5P309 W310 V311P309-D313 PolarHBondContact O-N 3.1Å; W310-D313 PolarHBondContact O-N 3.25Å; V311-D313 VanDerWaalsContact C-N 3.31Å
314F69.8Low76.2Confident62 Ų6269.6 Ų69.627%0.27240%0.398SS..PPolyproline II helixtrans-68.8124.6-175.5-166.8-86.5000111.1F133 W310 P359F133-F314 HydrophobicContact CE1-CE1 4.4Å; F133-F314 AromaticContact CZ-CD1 3.91Å; F133-F314 HydrophobicContact CZ-CD1 3.91Å; F133-F314 AromaticContact CZ-CE1 3.75Å; F133-F314 HydrophobicContact CZ-CE1 3.75Å; F133-F314 HydrophobicContact CZ-CZ 4.47Å; W310-F314 AromaticContact CH2-CD2 3.6Å; W310-F314 HydrophobicContact CH2-CD2 3.6Å; W310-F314 AromaticContact CH2-CE2 3.59Å; W310-F314 HydrophobicContact CH2-CE2 3.59Å; W310-F314 AromaticContact CZ2-CD2 3.55Å; W310-F314 HydrophobicContact CZ2-CD2 3.55Å; W310-F314 AromaticContact CZ2-CE2 3.56Å; W310-F314 HydrophobicContact CZ2-CE2 3.56Å; W310-F314 HydrophobicContact CZ3-CD2 4.19Å; W310-F314 PolarHBondContact O-N 3.36Å; F314-P359 HydrophobicContact CB-CG 3.81Å; F314-P359 HydrophobicContact CD1-CG 3.93Å; F314-P359 HydrophobicContact CG-CG 4.22Å
315P69.6Low75.8Confident85 Ų8571.4 Ų71.455%0.55241%0.405SS*.PPolyproline II helixtrans-69.2149.4-172.226.8-34.1000112.7T317P315-T317 PolarHBondContact O-N 3.47Å; P315-T317 PolarHBondContact O-OG1 3.35Å
316P71.6Confident75.4Confident85 Ų8573.7 Ų73.755%0.55241%0.414SS*.PPolyproline II helixtrans-49.6124.3169.314.5-27.7000110.7N358P316-N358 WeakPolarHBondContact CA-OD1 3.27Å; P316-N358 WeakPolarHBondContact CB-OD1 3.16Å
317T73.8Confident74.8Confident50 Ų5071.8 Ų71.831%0.30740%0.402SS..EExtended strand (participates in β ladder)trans-101.1133.7176.9-51.60000109.5P315 T356 F357P315-T317 PolarHBondContact O-N 3.47Å; P315-T317 PolarHBondContact O-OG1 3.35Å; T317-T356 WeakPolarHBondContact O-CA 3.34Å; T317-F357 VanDerWaalsContact CB-CZ 3.5Å; T317-F357 HydrophobicContact CG2-CE1 4.08Å; T317-F357 HydrophobicContact CG2-CE2 4.14Å; T317-F357 HydrophobicContact CG2-CZ 3.57Å; T317-F357 PolarHBondContact N-O 3.21Å; T317-F357 VanDerWaalsContact N-O 3.09Å; T317-F357 WeakPolarHBondContact O-CD1 3.32Å; T317-F357 PolarHBondContact O-N 3.21Å
318T75.4Confident74.5Confident99 Ų9974.4 Ų74.461%0.60742%0.417SS*.EExtended strand (participates in β ladder)trans-92.6124.6177.752.90000110.5W355 T356T318-W355 CarbonylContact C-O 3.59Å; T318-W355 WeakPolarHBondContact CA-O 3.13Å; T318-T356 HydrophobicContact CG2-CG2 3.65Å
319A75.8Confident74.4Confident21 Ų2177.5 Ų77.517%0.17442%0.422CS..EExtended strand (participates in β ladder)trans-99.6151.7162.500000110K354 W355 F357A319-K354 CarbonylContact O-C 3.45Å; A319-K354 WeakPolarHBondContact O-CA 3.48Å; A319-W355 HydrophobicContact CB-CD2 3.92Å; A319-W355 VanDerWaalsContact CB-CE2 3.48Å; A319-W355 HydrophobicContact CB-CE3 4.14Å; A319-W355 HydrophobicContact CB-CH2 3.56Å; A319-W355 HydrophobicContact CB-CZ2 3.3Å; A319-W355 HydrophobicContact CB-CZ3 3.97Å; A319-W355 PolarHBondContact N-O 3.11Å; A319-W355 PolarHBondContact O-N 3.13Å; A319-F357 HydrophobicContact CB-CD1 4.14Å; A319-F357 HydrophobicContact CB-CE1 3.84Å
320A77.1Confident74.2Confident58 Ų5879.3 Ų79.348%0.47942%0.423SS..EExtended strand (participates in β ladder)trans-136.4138.2179.500000110.7Y353 K354A320-Y353 CarbonylContact C-O 3.58Å; A320-Y353 VanDerWaalsContact CA-O 3.22Å; A320-Y353 WeakPolarHBondContact CA-O 3.26Å; A320-K354 HydrophobicContact CB-CG 3.87Å
321I79.3Confident74Confident42 Ų4273.2 Ų73.222%0.21540%0.403CS..EExtended strand (participates in β ladder)trans-110.5120.3166.6-70158.2000107F144 V323 Y353 W355F144-I321 HydrophobicContact CD1-CD1 4.26Å; F144-I321 HydrophobicContact CD2-CD1 4.04Å; F144-I321 HydrophobicContact CE1-CD1 3.76Å; F144-I321 HydrophobicContact CE2-CD1 3.52Å; F144-I321 HydrophobicContact CG-CD1 4.4Å; F144-I321 HydrophobicContact CZ-CD1 3.37Å; I321-V323 HydrophobicContact CG2-CG2 3.99Å; I321-Y353 PolarHBondContact N-O 2.85Å; I321-Y353 WeakPolarHBondContact O-CD2 3.33Å; I321-Y353 PolarHBondContact O-N 3.46Å; I321-W355 HydrophobicContact CB-CZ3 4.34Å; I321-W355 HydrophobicContact CD1-CH2 3.68Å; I321-W355 HydrophobicContact CD1-CZ3 3.64Å; I321-W355 HydrophobicContact CG1-CH2 3.79Å; I321-W355 HydrophobicContact CG1-CZ3 3.66Å
322T81.1Confident73.9Confident77 Ų7777.1 Ų77.147%0.47243%0.429SS..EExtended strand (participates in β ladder)trans-95.7117.8172.7-60.10000108.6H350 D352T322-H350 VanDerWaalsContact CG2-CE1 3.45Å; T322-H350 WeakPolarHBondContact CG2-CE1 3.43Å; T322-D352 VanDerWaalsContact CB-OD1 3.27Å; T322-D352 WeakPolarHBondContact CB-OD1 3.44Å; T322-D352 WeakPolarHBondContact CG2-OD1 3.26Å; T322-D352 PolarHBondContact OG1-OD1 3.44Å
323V80.6Confident74.2Confident31 Ų3175.3 Ų75.319%0.18843%0.432CS..EExtended strand (participates in β ladder)trans-103.1112.1172.2-178.60000107.7A147 I321 F349 H350 K351 Y353A147-V323 HydrophobicContact CB-CG2 4.3Å; I321-V323 HydrophobicContact CG2-CG2 3.99Å; V323-F349 HydrophobicContact CB-CE1 4.16Å; V323-F349 HydrophobicContact CG1-CD1 4.22Å; V323-F349 HydrophobicContact CG1-CE1 4Å; V323-H350 WeakPolarHBondContact O-CA 3.34Å; V323-K351 PolarHBondContact N-O 2.85Å; V323-K351 PolarHBondContact O-N 3.45Å; V323-Y353 HydrophobicContact CB-CE2 4.1Å; V323-Y353 HydrophobicContact CG2-CD2 4.12Å; V323-Y353 HydrophobicContact CG2-CE2 3.79Å
324S80Confident73.9Confident86 Ų8674 Ų7460%0.60142%0.424SS*.EExtended strand (participates in β ladder)trans-120.7121.3173.463.30000110.1F349S324-F349 CarbonylContact C-O 3.53Å; S324-F349 VanDerWaalsContact CA-O 3.26Å; S324-F349 WeakPolarHBondContact CA-O 3.3Å
325Y74.7Confident73.9Confident39 Ų3972.8 Ų72.815%0.15342%0.423CS..EExtended strand (participates in β ladder)trans-136.3138.9172.882.5-99.7000110.4L151 E154 V327 I347 F349L151-Y325 HydrophobicContact CD1-CD1 3.35Å; L151-Y325 HydrophobicContact CD1-CE1 3.41Å; L151-Y325 VanDerWaalsContact CD1-CE1 3.41Å; L151-Y325 HydrophobicContact CD1-CG 4.22Å; E154-Y325 HydrophobicContact CB-CE1 4.48Å; E154-Y325 VanDerWaalsContact CB-OH 3.24Å; E154-Y325 WeakPolarHBondContact CB-OH 3.39Å; E154-Y325 HydrophobicContact CG-CE1 4.5Å; E154-Y325 WeakPolarHBondContact CG-OH 3.25Å; Y325-V327 HydrophobicContact CD2-CG2 3.89Å; Y325-V327 HydrophobicContact CE2-CG2 3.95Å; Y325-I347 HydrophobicContact CD2-CG2 4.28Å; Y325-I347 HydrophobicContact CE2-CB 3.76Å; Y325-I347 HydrophobicContact CE2-CD1 3.78Å; Y325-I347 HydrophobicContact CE2-CG1 4.32Å; Y325-I347 HydrophobicContact CE2-CG2 3.35Å; Y325-I347 WeakPolarHBondContact OH-CG2 3.37Å; Y325-F349 HydrophobicContact CD1-CB 3.41Å; Y325-F349 VanDerWaalsContact CD1-CB 3.41Å; Y325-F349 AromaticContact CD1-CD1 3.51Å; Y325-F349 HydrophobicContact CD1-CD1 3.51Å; Y325-F349 AromaticContact CD1-CG 3.74Å; Y325-F349 HydrophobicContact CD1-CG 3.74Å; Y325-F349 HydrophobicContact CD2-CB 4.44Å; Y325-F349 HydrophobicContact CE1-CB 3.1Å; Y325-F349 AromaticContact CE1-CD1 3.49Å; Y325-F349 HydrophobicContact CE1-CD1 3.49Å; Y325-F349 VanDerWaalsContact CE1-CD1 3.49Å; Y325-F349 HydrophobicContact CE1-CD2 4.18Å; Y325-F349 HydrophobicContact CE1-CE1 4.41Å; Y325-F349 AromaticContact CE1-CG 3.33Å; Y325-F349 HydrophobicContact CE1-CG 3.33Å; Y325-F349 HydrophobicContact CE2-CB 4.21Å; Y325-F349 HydrophobicContact CG-CB 4.08Å; Y325-F349 PolarHBondContact N-O 3.36Å; Y325-F349 PolarHBondContact O-N 2.63Å
326K75.3Confident74Confident136 Ų13675.5 Ų75.559%0.59143%0.431SS*.EExtended strand (participates in β ladder)trans-124.2127.4177.6-65.8-172.3178.4-167.50109.2I347 N348K326-I347 CarbonylContact C-O 3.56Å; K326-I347 VanDerWaalsContact CA-O 3.25Å; K326-I347 WeakPolarHBondContact CA-O 3.19Å; K326-N348 VanDerWaalsContact CE-OD1 3.26Å; K326-N348 WeakPolarHBondContact CE-OD1 3.34Å
327V72Confident74Confident60 Ų6076.2 Ų76.236%0.36443%0.429SS..EExtended strand (participates in β ladder)trans-115.5120.7175.3-179.30000107.7Y325 L346 I347Y325-V327 HydrophobicContact CD2-CG2 3.89Å; Y325-V327 HydrophobicContact CE2-CG2 3.95Å; V327-L346 HydrophobicContact CG1-CB 4.42Å; V327-L346 WeakPolarHBondContact O-CA 3.36Å; V327-L346 WeakPolarHBondContact O-CB 3.34Å; V327-L346 PolarHBondContact O-N 2.94Å; V327-I347 HydrophobicContact CB-CB 4.05Å; V327-I347 HydrophobicContact CB-CD1 4.23Å; V327-I347 HydrophobicContact CB-CG1 4Å; V327-I347 HydrophobicContact CG2-CB 4.29Å; V327-I347 HydrophobicContact CG2-CD1 4.07Å; V327-I347 HydrophobicContact CG2-CG1 4.3Å; V327-I347 PolarHBondContact N-O 3.39Å; V327-I347 PolarHBondContact O-N 3.21Å
328N74.3Confident73.6Confident95 Ų9579.4 Ų79.451%0.50845%0.451SS..EExtended strand (participates in β ladder)trans-105.5129.3174.9-65-12.1000108.3
329W70.5Confident73.3Confident129 Ų12983.5 Ų83.549%0.48946%0.463SS..EExtended strand (participates in β ladder)trans-92.4129.4173.5177.4-109.1000109.8Q344 L346W329-Q344 PolarHBondContact N-O 3.18Å; W329-Q344 PolarHBondContact O-N 3.45Å; W329-L346 HydrophobicContact CB-CB 4.15Å; W329-L346 HydrophobicContact CB-CD1 3.86Å; W329-L346 HydrophobicContact CB-CD2 4.26Å; W329-L346 HydrophobicContact CB-CG 4.32Å; W329-L346 HydrophobicContact CG-CD1 4.4Å
330F72.6Confident72.7Confident102 Ų10285.3 Ų85.345%0.44747%0.474SS..  trans-121.6102.3176.4178.7-100000109P332 C335 T343F330-P332 HydrophobicContact CD1-CG 4.17Å; F330-P332 HydrophobicContact CE1-CB 4.14Å; F330-P332 HydrophobicContact CE1-CG 4.25Å; F330-P332 WeakPolarHBondContact O-CD 3.18Å; F330-C335 WeakPolarHBondContact CE2-SG 3.39Å; F330-C335 HydrophobicContact CZ-CB 4.16Å; F330-C335 WeakPolarHBondContact CZ-SG 3.48Å; F330-T343 HydrophobicContact CD2-CG2 3.83Å
331P70.9Confident72.4Confident23 Ų2385.2 Ų85.215%0.14947%0.469CS..  trans-81.4105.1175.727.1-27.5000110.5A333 L334P331-A333 PolarHBondContact O-N 2.05Å; P331-L334 HydrophobicContact CB-CB 4.46Å; P331-L334 HydrophobicContact CB-CD1 3.98Å; P331-L334 HydrophobicContact CB-CG 4.37Å; P331-L334 HydrophobicContact CG-CB 4.21Å; P331-L334 HydrophobicContact CG-CD1 3.63Å; P331-L334 HydrophobicContact CG-CG 4.32Å; P331-L334 PolarHBondContact O-N 3.26Å; P331-L334 VanDerWaalsContact O-N 3.15Å
332P69.3Low72Confident95 Ų9587.9 Ų87.962%0.61749%0.488SS*.G310 helixtrans-64.7-29.4-172.3-17.531.9000112.6F330 L334 C335F330-P332 HydrophobicContact CD1-CG 4.17Å; F330-P332 HydrophobicContact CE1-CB 4.14Å; F330-P332 HydrophobicContact CE1-CG 4.25Å; F330-P332 WeakPolarHBondContact O-CD 3.18Å; P332-L334 VanDerWaalsContact C-N 3.3Å; P332-L334 PolarHBondContact O-N 3.25Å; P332-C335 PolarHBondContact O-N 3.34Å
333A72Confident71.4Confident75 Ų7588.5 Ų88.562%0.6249%0.491SS*.G310 helixtrans-65.9-28.7179.500000113.5P331 C335 I336P331-A333 PolarHBondContact O-N 2.05Å; A333-C335 VanDerWaalsContact C-N 3.3Å; A333-I336 WeakPolarHBondContact O-CD1 3.31Å; A333-I336 WeakPolarHBondContact O-CG1 3.45Å
334L65.8Low70.8Confident104 Ų10493.1 Ų93.155%0.54551%0.511SS..G310 helixtrans-80.2-13.5178.4-72.5170.7000112.7P331 P332 I336P331-L334 HydrophobicContact CB-CB 4.46Å; P331-L334 HydrophobicContact CB-CD1 3.98Å; P331-L334 HydrophobicContact CB-CG 4.37Å; P331-L334 HydrophobicContact CG-CB 4.21Å; P331-L334 HydrophobicContact CG-CD1 3.63Å; P331-L334 HydrophobicContact CG-CG 4.32Å; P331-L334 PolarHBondContact O-N 3.26Å; P331-L334 VanDerWaalsContact O-N 3.15Å; P332-L334 VanDerWaalsContact C-N 3.3Å; P332-L334 PolarHBondContact O-N 3.25Å; L334-I336 VanDerWaalsContact C-N 3.31Å; L334-I336 PolarHBondContact O-N 3.49Å
335C69.4Low70.4Confident36 Ų3694.8 Ų94.824%0.24351%0.509CS..G310 helixtrans-87.76.5177.9-64.30000114.2F330 P332 A333 I337 C341F330-C335 WeakPolarHBondContact CE2-SG 3.39Å; F330-C335 HydrophobicContact CZ-CB 4.16Å; F330-C335 WeakPolarHBondContact CZ-SG 3.48Å; P332-C335 PolarHBondContact O-N 3.34Å; A333-C335 VanDerWaalsContact C-N 3.3Å; C335-I337 PolarHBondContact O-N 3.18Å; C335-C341 HydrophobicContact CB-CB 3.78Å; C335-C341 WeakPolarHBondContact CB-SG 3.4Å; C335-C341 VanDerWaalsContact SG-CA 3.55Å; C335-C341 WeakPolarHBondContact SG-CB 3.17Å; C335-C341 CovalentContact SG-SG 2.05Å; C335-C341 PolarHBondContact SG-SG 3.49Å
336I72.9Confident70Confident143 Ų14396.3 Ų96.373%0.73352%0.52SS*.G310 helixtrans-66.2-26.9169.4-58.9171.5000110.4A333 L334A333-I336 WeakPolarHBondContact O-CD1 3.31Å; A333-I336 WeakPolarHBondContact O-CG1 3.45Å; L334-I336 VanDerWaalsContact C-N 3.31Å; L334-I336 PolarHBondContact O-N 3.49Å
337I72.1Confident69.7Low100 Ų10090.6 Ų90.651%0.51350%0.495SS..SBendtrans-109.6115.9171.3-57.8173.2000108.1C335 Q339 S340C335-I337 PolarHBondContact O-N 3.18Å; I337-Q339 PolarHBondContact O-N 2.95Å; I337-Q339 VanDerWaalsContact O-N 3.1Å; I337-S340 PolarHBondContact O-N 3.24Å
338P65Low69.9Low116 Ų11692.3 Ų92.375%0.75350%0.502SS*.G310 helixtrans-57.9-31.8-172.7-24.231.2000114.3S340P338-S340 VanDerWaalsContact C-N 3.3Å; P338-S340 PolarHBondContact O-N 3.42Å
339Q69Low70.1Confident186 Ų18688.9 Ų88.987%0.86948%0.483SS*.G310 helixtrans-75.3-15.8-179.3-66.1-177.8-40.900113.9I337I337-Q339 PolarHBondContact O-N 2.95Å; I337-Q339 VanDerWaalsContact O-N 3.1Å
340S63.4Low70.8Confident59 Ų5988.5 Ų88.541%0.41349%0.486SS..G310 helixtrans-107.12.7-178.4-56.80000113.1I337 P338 V342I337-S340 PolarHBondContact O-N 3.24Å; P338-S340 VanDerWaalsContact C-N 3.3Å; P338-S340 PolarHBondContact O-N 3.42Å; S340-V342 PolarHBondContact O-N 2.85Å; S340-V342 VanDerWaalsContact O-N 3.08Å
341C70Confident71.3Confident55 Ų5587.3 Ų87.337%0.37248%0.481SS..  trans-77.893.8177.9-166.80000109.4C335C335-C341 HydrophobicContact CB-CB 3.78Å; C335-C341 WeakPolarHBondContact CB-SG 3.4Å; C335-C341 VanDerWaalsContact SG-CA 3.55Å; C335-C341 WeakPolarHBondContact SG-CB 3.17Å; C335-C341 CovalentContact SG-SG 2.05Å; C335-C341 PolarHBondContact SG-SG 3.49Å
342V70.4Confident71.9Confident99 Ų9989.6 Ų89.660%0.649%0.492SS*.  trans-120122.8179.1-177.50000108.8S340S340-V342 PolarHBondContact O-N 2.85Å; S340-V342 VanDerWaalsContact O-N 3.08Å
343T69.8Low72.5Confident90 Ų9085.4 Ų85.455%0.55246%0.464SS*.  trans-75.2119.9165.747.30000108.4F330F330-T343 HydrophobicContact CD2-CG2 3.83Å
344Q68.4Low72.9Confident127 Ų12788.9 Ų88.959%0.59347%0.465SS*.EExtended strand (participates in β ladder)trans-97.4126.3177.4-170.2168.9-13.300109.2W329 L346W329-Q344 PolarHBondContact N-O 3.18Å; W329-Q344 PolarHBondContact O-N 3.45Å; Q344-L346 PolarHBondContact O-N 3.17Å
345E70.9Confident73.5Confident121 Ų12185.8 Ų85.857%0.56545%0.446SS*.EExtended strand (participates in β ladder)trans-67.9115169.8-62.4-166.1162.700108
346L66.7Low73.7Confident72 Ų7288 Ų8838%0.37746%0.459SS..EExtended strand (participates in β ladder)trans-90.7-35.7-177.6-149.175.4000110.5V158 V327 W329 Q344V158-L346 HydrophobicContact CG1-CB 4.47Å; V158-L346 HydrophobicContact CG1-CD2 3.39Å; V158-L346 HydrophobicContact CG1-CG 3.55Å; V327-L346 HydrophobicContact CG1-CB 4.42Å; V327-L346 WeakPolarHBondContact O-CA 3.36Å; V327-L346 WeakPolarHBondContact O-CB 3.34Å; V327-L346 PolarHBondContact O-N 2.94Å; W329-L346 HydrophobicContact CB-CB 4.15Å; W329-L346 HydrophobicContact CB-CD1 3.86Å; W329-L346 HydrophobicContact CB-CD2 4.26Å; W329-L346 HydrophobicContact CB-CG 4.32Å; W329-L346 HydrophobicContact CG-CD1 4.4Å; Q344-L346 PolarHBondContact O-N 3.17Å
347I69.3Low73.7Confident15 Ų1582.9 Ų82.98%0.07743%0.431CS..EExtended strand (participates in β ladder)trans-143.8137177.7-43-178.3000110.9E154 V158 Y325 K326 V327 F349E154-I347 HydrophobicContact CG-CG2 4.29Å; V158-I347 HydrophobicContact CB-CD1 3.67Å; V158-I347 HydrophobicContact CB-CG1 4.06Å; V158-I347 HydrophobicContact CG1-CD1 3.77Å; V158-I347 HydrophobicContact CG1-CG1 3.79Å; V158-I347 HydrophobicContact CG2-CD1 3.72Å; V158-I347 HydrophobicContact CG2-CG1 3.82Å; Y325-I347 HydrophobicContact CD2-CG2 4.28Å; Y325-I347 HydrophobicContact CE2-CB 3.76Å; Y325-I347 HydrophobicContact CE2-CD1 3.78Å; Y325-I347 HydrophobicContact CE2-CG1 4.32Å; Y325-I347 HydrophobicContact CE2-CG2 3.35Å; Y325-I347 WeakPolarHBondContact OH-CG2 3.37Å; K326-I347 CarbonylContact C-O 3.56Å; K326-I347 VanDerWaalsContact CA-O 3.25Å; K326-I347 WeakPolarHBondContact CA-O 3.19Å; V327-I347 HydrophobicContact CB-CB 4.05Å; V327-I347 HydrophobicContact CB-CD1 4.23Å; V327-I347 HydrophobicContact CB-CG1 4Å; V327-I347 HydrophobicContact CG2-CB 4.29Å; V327-I347 HydrophobicContact CG2-CD1 4.07Å; V327-I347 HydrophobicContact CG2-CG1 4.3Å; V327-I347 PolarHBondContact N-O 3.39Å; V327-I347 PolarHBondContact O-N 3.21Å; I347-F349 HydrophobicContact CG2-CB 4.19Å
348N75.4Confident73.5Confident96 Ų9681.6 Ų81.651%0.51343%0.426SS..EExtended strand (participates in β ladder)trans-133.783.6165.8-17911.7000108.4K326K326-N348 VanDerWaalsContact CE-OD1 3.26Å; K326-N348 WeakPolarHBondContact CE-OD1 3.34Å
349F78.7Confident73.4Confident23 Ų2376.6 Ų76.610%0.10139%0.393CS..EExtended strand (participates in β ladder)trans-93.2129.3179.2-179.5-95.9000109.6D150 E154 V323 S324 Y325 I347 K351 Y353D150-F349 HydrophobicContact CB-CZ 4.11Å; E154-F349 HydrophobicContact CB-CD2 4.11Å; E154-F349 HydrophobicContact CB-CE2 4.37Å; E154-F349 HydrophobicContact CG-CB 4.43Å; E154-F349 HydrophobicContact CG-CD2 3.76Å; E154-F349 HydrophobicContact CG-CE2 4.44Å; E154-F349 HydrophobicContact CG-CG 4.41Å; V323-F349 HydrophobicContact CB-CE1 4.16Å; V323-F349 HydrophobicContact CG1-CD1 4.22Å; V323-F349 HydrophobicContact CG1-CE1 4Å; S324-F349 CarbonylContact C-O 3.53Å; S324-F349 VanDerWaalsContact CA-O 3.26Å; S324-F349 WeakPolarHBondContact CA-O 3.3Å; Y325-F349 HydrophobicContact CD1-CB 3.41Å; Y325-F349 VanDerWaalsContact CD1-CB 3.41Å; Y325-F349 AromaticContact CD1-CD1 3.51Å; Y325-F349 HydrophobicContact CD1-CD1 3.51Å; Y325-F349 AromaticContact CD1-CG 3.74Å; Y325-F349 HydrophobicContact CD1-CG 3.74Å; Y325-F349 HydrophobicContact CD2-CB 4.44Å; Y325-F349 HydrophobicContact CE1-CB 3.1Å; Y325-F349 AromaticContact CE1-CD1 3.49Å; Y325-F349 HydrophobicContact CE1-CD1 3.49Å; Y325-F349 VanDerWaalsContact CE1-CD1 3.49Å; Y325-F349 HydrophobicContact CE1-CD2 4.18Å; Y325-F349 HydrophobicContact CE1-CE1 4.41Å; Y325-F349 AromaticContact CE1-CG 3.33Å; Y325-F349 HydrophobicContact CE1-CG 3.33Å; Y325-F349 HydrophobicContact CE2-CB 4.21Å; Y325-F349 HydrophobicContact CG-CB 4.08Å; Y325-F349 PolarHBondContact N-O 3.36Å; Y325-F349 PolarHBondContact O-N 2.63Å; I347-F349 HydrophobicContact CG2-CB 4.19Å; F349-K351 HydrophobicContact CE1-CB 3.86Å; F349-K351 HydrophobicContact CE2-CB 4.28Å; F349-K351 HydrophobicContact CZ-CB 3.61Å; F349-K351 HydrophobicContact CZ-CD 4.21Å; F349-Y353 WeakPolarHBondContact CZ-OH 3.43Å
350H83.9Confident73.1Confident121 Ų12173.6 Ų73.656%0.5638%0.379SS*.EExtended strand (participates in β ladder)trans-145113.2175.6-179.375.5000108.2T322 V323T322-H350 VanDerWaalsContact CG2-CE1 3.45Å; T322-H350 WeakPolarHBondContact CG2-CE1 3.43Å; V323-H350 WeakPolarHBondContact O-CA 3.34Å
351K84.1Confident72.8Confident77 Ų7772.4 Ų72.434%0.33537%0.37SS..EExtended strand (participates in β ladder)trans-142.2138.3177.9-167.7168.7174.7-170.60110.9D150 V323 F349 Y353D150-K351 WeakPolarHBondContact OD2-CE 3.23Å; D150-K351 IonicContact OD2-NZ 3.61Å; D150-K351 PolarHBondContact OD2-NZ 2.86Å; V323-K351 PolarHBondContact N-O 2.85Å; V323-K351 PolarHBondContact O-N 3.45Å; F349-K351 HydrophobicContact CE1-CB 3.86Å; F349-K351 HydrophobicContact CE2-CB 4.28Å; F349-K351 HydrophobicContact CZ-CB 3.61Å; F349-K351 HydrophobicContact CZ-CD 4.21Å; K351-Y353 HydrophobicContact CB-CE2 4.1Å; K351-Y353 HydrophobicContact CD-CE1 4.03Å; K351-Y353 HydrophobicContact CG-CE1 4.34Å; K351-Y353 HydrophobicContact CG-CE2 4.2Å
352D83.6Confident72Confident71 Ų7174 Ų7438%0.3839%0.387SS..EExtended strand (participates in β ladder)trans-102121.8176.1-69.6-22.7000110.1T322T322-D352 VanDerWaalsContact CB-OD1 3.27Å; T322-D352 WeakPolarHBondContact CB-OD1 3.44Å; T322-D352 WeakPolarHBondContact CG2-OD1 3.26Å; T322-D352 PolarHBondContact OG1-OD1 3.44Å
353Y82Confident71.2Confident7 Ų775.8 Ų75.83%0.02739%0.392CS..EExtended strand (participates in β ladder)trans-101.2110.5174.3-57.2-89000108.8E146 A147 D150 A320 I321 V323 F349 K351E146-Y353 HydrophobicContact CB-CD1 4.42Å; E146-Y353 HydrophobicContact CB-CE1 4.45Å; E146-Y353 HydrophobicContact CG-CD1 4.32Å; E146-Y353 HydrophobicContact CG-CE1 4.1Å; A147-Y353 HydrophobicContact CB-CD1 4.05Å; A147-Y353 HydrophobicContact CB-CD2 3.6Å; A147-Y353 HydrophobicContact CB-CE1 3.97Å; A147-Y353 HydrophobicContact CB-CE2 3.53Å; A147-Y353 HydrophobicContact CB-CG 3.87Å; D150-Y353 WeakPolarHBondContact CB-OH 3.22Å; D150-Y353 WeakPolarHBondContact OD2-CE1 3.4Å; D150-Y353 PolarHBondContact OD2-OH 2.85Å; A320-Y353 CarbonylContact C-O 3.58Å; A320-Y353 VanDerWaalsContact CA-O 3.22Å; A320-Y353 WeakPolarHBondContact CA-O 3.26Å; I321-Y353 PolarHBondContact N-O 2.85Å; I321-Y353 WeakPolarHBondContact O-CD2 3.33Å; I321-Y353 PolarHBondContact O-N 3.46Å; V323-Y353 HydrophobicContact CB-CE2 4.1Å; V323-Y353 HydrophobicContact CG2-CD2 4.12Å; V323-Y353 HydrophobicContact CG2-CE2 3.79Å; F349-Y353 WeakPolarHBondContact CZ-OH 3.43Å; K351-Y353 HydrophobicContact CB-CE2 4.1Å; K351-Y353 HydrophobicContact CD-CE1 4.03Å; K351-Y353 HydrophobicContact CG-CE1 4.34Å; K351-Y353 HydrophobicContact CG-CE2 4.2Å
354K80.8Confident71Confident149 Ų14973.4 Ų73.465%0.64838%0.379SS*.EExtended strand (participates in β ladder)trans-107.6137.8-177-60.3-176.5-178.7175.20110.3A319 A320A319-K354 CarbonylContact O-C 3.45Å; A319-K354 WeakPolarHBondContact O-CA 3.48Å; A320-K354 HydrophobicContact CB-CG 3.87Å
355W77.8Confident71Confident39 Ų3974 Ų7415%0.14839%0.386CS..EExtended strand (participates in β ladder)trans-137.9148.8170.472.7102.8000110.7L137 P143 T318 A319 I321L137-W355 HydrophobicContact CD1-CZ2 4.16Å; P143-W355 HydrophobicContact CB-CE3 4.38Å; P143-W355 HydrophobicContact CG-CB 4.14Å; P143-W355 HydrophobicContact CG-CD2 4.23Å; P143-W355 HydrophobicContact CG-CE3 4.27Å; P143-W355 HydrophobicContact CG-CG 4.2Å; T318-W355 CarbonylContact C-O 3.59Å; T318-W355 WeakPolarHBondContact CA-O 3.13Å; A319-W355 HydrophobicContact CB-CD2 3.92Å; A319-W355 VanDerWaalsContact CB-CE2 3.48Å; A319-W355 HydrophobicContact CB-CE3 4.14Å; A319-W355 HydrophobicContact CB-CH2 3.56Å; A319-W355 HydrophobicContact CB-CZ2 3.3Å; A319-W355 HydrophobicContact CB-CZ3 3.97Å; A319-W355 PolarHBondContact N-O 3.11Å; A319-W355 PolarHBondContact O-N 3.13Å; I321-W355 HydrophobicContact CB-CZ3 4.34Å; I321-W355 HydrophobicContact CD1-CH2 3.68Å; I321-W355 HydrophobicContact CD1-CZ3 3.64Å; I321-W355 HydrophobicContact CG1-CH2 3.79Å; I321-W355 HydrophobicContact CG1-CZ3 3.66Å
356T73.6Confident71Confident83 Ų8369.7 Ų69.751%0.50937%0.368SS..EExtended strand (participates in β ladder)trans-97.5134.5175.249.30000109.9T317 T318T317-T356 WeakPolarHBondContact O-CA 3.34Å; T318-T356 HydrophobicContact CG2-CG2 3.65Å
357F72.6Confident71.2Confident34 Ų3470 Ų7015%0.14937%0.373CS..EExtended strand (participates in β ladder)trans-119.6140.4169.761.4-97.6000110.4F133 T136 L137 T317 A319F133-F357 AromaticContact CD1-CD2 3.33Å; F133-F357 HydrophobicContact CD1-CD2 3.33Å; F133-F357 AromaticContact CD1-CE2 3.55Å; F133-F357 HydrophobicContact CD1-CE2 3.55Å; F133-F357 AromaticContact CE1-CD2 3.53Å; F133-F357 HydrophobicContact CE1-CD2 3.53Å; F133-F357 AromaticContact CE1-CE2 3.53Å; F133-F357 HydrophobicContact CE1-CE2 3.53Å; F133-F357 HydrophobicContact CG-CD2 4.48Å; F133-F357 HydrophobicContact CZ-CE2 4.49Å; T136-F357 HydrophobicContact CG2-CB 3.86Å; L137-F357 HydrophobicContact CD1-CD1 4.19Å; L137-F357 HydrophobicContact CD1-CE1 4.38Å; T317-F357 VanDerWaalsContact CB-CZ 3.5Å; T317-F357 HydrophobicContact CG2-CE1 4.08Å; T317-F357 HydrophobicContact CG2-CE2 4.14Å; T317-F357 HydrophobicContact CG2-CZ 3.57Å; T317-F357 PolarHBondContact N-O 3.21Å; T317-F357 VanDerWaalsContact N-O 3.09Å; T317-F357 WeakPolarHBondContact O-CD1 3.32Å; T317-F357 PolarHBondContact O-N 3.21Å; A319-F357 HydrophobicContact CB-CD1 4.14Å; A319-F357 HydrophobicContact CB-CE1 3.84Å
358N67.9Low71.7Confident74 Ų7472.7 Ų72.740%0.39639%0.39SS..  trans-119.2140.8-176.9-63.9-17.9000109.1T136 P316 E360T136-N358 PolarHBondContact OG1-O 3.42Å; P316-N358 WeakPolarHBondContact CA-OD1 3.27Å; P316-N358 WeakPolarHBondContact CB-OD1 3.16Å; N358-E360 PolarHBondContact O-N 2.97Å; N358-E360 VanDerWaalsContact O-N 3.1Å
359P64.1Low72.1Confident11 Ų1170 Ų707%0.07138%0.379CS..  trans-67110.5162.725.7-23.3000106.6T129 F133 F314 P361T129-P359 HydrophobicContact CG2-CB 4.18Å; F133-P359 HydrophobicContact CD1-CB 4.5Å; F133-P359 HydrophobicContact CE1-CB 4.05Å; F133-P359 HydrophobicContact CE1-CG 4.1Å; F133-P359 HydrophobicContact CE2-CB 4.25Å; F133-P359 HydrophobicContact CZ-CB 3.9Å; F133-P359 HydrophobicContact CZ-CG 3.95Å; F314-P359 HydrophobicContact CB-CG 3.81Å; F314-P359 HydrophobicContact CD1-CG 3.93Å; F314-P359 HydrophobicContact CG-CG 4.22Å; P359-P361 WeakPolarHBondContact O-CD 2.97Å; P359-P361 WeakPolarHBondContact O-CG 3.37Å
360E62.3Low72.6Confident123 Ų12371.2 Ų71.258%0.57539%0.393SS*.  trans-86.196.4175.8-168.2164.2-157.100108.6N358N358-E360 PolarHBondContact O-N 2.97Å; N358-E360 VanDerWaalsContact O-N 3.1Å
361P56Low72.8Confident33 Ų3366.6 Ų66.621%0.21437%0.374CS..  trans-93.90.8-164.47.115.2000112.5M312 P359 L363 C364M312-P361 HydrophobicContact CE-CB 4.42Å; M312-P361 HydrophobicContact CE-CG 4.27Å; M312-P361 HydrophobicContact SD-CB 3.46Å; M312-P361 WeakPolarHBondContact SD-CB 3.19Å; M312-P361 HydrophobicContact SD-CG 3.73Å; P359-P361 WeakPolarHBondContact O-CD 2.97Å; P359-P361 WeakPolarHBondContact O-CG 3.37Å; P361-L363 PolarHBondContact O-N 3.47Å; P361-C364 PolarHBondContact O-N 2.85Å
362A54.2Low73.1Confident88 Ų8869.4 Ų69.473%0.72739%0.386SS*.THydrogen-bonded Turntrans-653.6-166.600000115.6
363L53.3Low73.4Confident137 Ų13772.1 Ų72.172%0.71740%0.4SS*.THydrogen-bonded Turntrans-118.97.3-173.5-124.478.7000115.3P361P361-L363 PolarHBondContact O-N 3.47Å
364C66.3Low73.8Confident40 Ų4074.2 Ų74.227%0.2742%0.424SS..  trans-112.384.4-162-55.50000111.8C128 P361 V366C128-C364 HydrophobicContact CB-CB 3.79Å; C128-C364 WeakPolarHBondContact CB-SG 3.5Å; C128-C364 WeakPolarHBondContact SG-CB 3.45Å; C128-C364 CovalentContact SG-SG 1.98Å; C128-C364 PolarHBondContact SG-SG 2.72Å; P361-C364 PolarHBondContact O-N 2.85Å; C364-V366 HydrophobicContact CB-CG2 4.48Å; C364-V366 PolarHBondContact O-N 3.39Å
365D67.2Low74.2Confident141 Ų14168.1 Ų68.175%0.75440%0.399SS*.  trans-74.6113.4168.5-17519.5000109.6
366V71.6Confident74.8Confident30 Ų3068.9 Ų68.918%0.18241%0.408CS..  trans-120112.1-174.7-176.90000109.4A121 I125 C364A121-V366 HydrophobicContact CB-CG1 3.22Å; I125-V366 HydrophobicContact CD1-CG1 4.23Å; I125-V366 HydrophobicContact CD1-CG2 4.36Å; I125-V366 HydrophobicContact CG1-CG1 4.3Å; I125-V366 HydrophobicContact CG1-CG2 3.67Å; C364-V366 HydrophobicContact CB-CG2 4.48Å; C364-V366 PolarHBondContact O-N 3.39Å
367T70.8Confident75.7Confident79 Ų7970 Ų7049%0.48541%0.411SS..  trans-84.1117173.737.50000110.6R124R124-T367 PolarHBondContact NH2-OG1 3Å
368T78.9Confident76.7Confident71 Ų7172 Ų7244%0.43642%0.422SS..  trans-98.8155.8173.666.80000110.8V304V304-T368 HydrophobicContact CB-CG2 4.48Å; V304-T368 HydrophobicContact CG1-CG2 3.48Å; V304-T368 VanDerWaalsContact CG1-CG2 3.48Å
369S85Confident77.9Confident38 Ų3869 Ų6927%0.26641%0.406SS..  trans-131.2111.1178.7-1720000110.2N114 N118N114-S369 PolarHBondContact ND2-O 2.88Å; N114-S369 WeakPolarHBondContact OD1-CB 3.31Å; N114-S369 PolarHBondContact OD1-O 3.08Å; N114-S369 PolarHBondContact OD1-OG 3.42Å; N118-S369 PolarHBondContact ND2-O 3.06Å; N118-S369 PolarHBondContact OD1-N 3.19Å; N118-S369 PolarHBondContact OD1-O 3.25Å
370A87.8Confident79.3Confident50 Ų5070.1 Ų70.141%0.41342%0.419SS..PPolyproline II helixtrans-69.6140.1-179.100000111.5Y301 K372Y301-A370 HydrophobicContact CE2-CB 3.85Å; A370-K372 PolarHBondContact O-N 3.17Å
371P89.7Confident80.8Confident23 Ų2367.7 Ų67.715%0.14942%0.415CS..PPolyproline II helixtrans-56.2130.2172.6-24.833.9000111.4Y301 L373Y301-P371 HydrophobicContact CG-CG 4.44Å; P371-L373 PolarHBondContact O-N 3.42Å
372K89.3Confident82.6Confident137 Ų13768.3 Ų68.360%0.59641%0.414SS*.PPolyproline II helixtrans-80.9116.3-175.8-66.5-178.4-177.2179.10111.1A370 G374 V375 T376A370-K372 PolarHBondContact O-N 3.17Å; K372-G374 VanDerWaalsContact C-N 3.25Å; K372-G374 PolarHBondContact O-N 3.41Å; K372-V375 HydrophobicContact CB-CB 4.34Å; K372-V375 HydrophobicContact CB-CG2 3.9Å; K372-V375 HydrophobicContact CD-CG2 4.48Å; K372-V375 WeakPolarHBondContact O-CB 3.36Å; K372-V375 PolarHBondContact O-N 3.18Å; K372-T376 PolarHBondContact O-N 3.3Å
373L89.8Confident84.5Confident127 Ų12770 Ų7067%0.66540%0.402SS*.Hα-helixtrans-53.2-40.9177.5-176.364.5000113.1P371 V375 T376 L377P371-L373 PolarHBondContact O-N 3.42Å; L373-V375 PolarHBondContact O-N 3.48Å; L373-T376 PolarHBondContact O-N 3.41Å; L373-L377 HydrophobicContact CD1-CG 4.38Å; L373-L377 HydrophobicContact CD2-CD1 4.45Å; L373-L377 HydrophobicContact CG-CD1 4.03Å; L373-L377 HydrophobicContact CG-CG 4.26Å; L373-L377 WeakPolarHBondContact O-CG 2.69Å; L373-L377 PolarHBondContact O-N 3.44Å
374G89.9Confident86.4Confident51 Ų5169.4 Ų69.453%0.52640%0.399SS..Hα-helixtrans-60.8-31.3178.700000113.9K372 L378K372-G374 VanDerWaalsContact C-N 3.25Å; K372-G374 PolarHBondContact O-N 3.41Å; G374-L378 VanDerWaalsContact O-CB 3.3Å; G374-L378 WeakPolarHBondContact O-CB 3.28Å; G374-L378 PolarHBondContact O-N 3.44Å
375V89.8Confident87.7Confident21 Ų2171.7 Ų71.713%0.12741%0.407CS..Hα-helixtrans-71.6-44.1176175.20000110.4I106 N110 V111 K372 L373 L378 L379I106-V375 HydrophobicContact CG2-CG1 3.61Å; N110-V375 HydrophobicContact CB-CG1 4.18Å; N110-V375 HydrophobicContact CB-CG2 4.01Å; V111-V375 HydrophobicContact CG2-CG1 4.05Å; K372-V375 HydrophobicContact CB-CB 4.34Å; K372-V375 HydrophobicContact CB-CG2 3.9Å; K372-V375 HydrophobicContact CD-CG2 4.48Å; K372-V375 WeakPolarHBondContact O-CB 3.36Å; K372-V375 PolarHBondContact O-N 3.18Å; L373-V375 PolarHBondContact O-N 3.48Å; V375-L378 PolarHBondContact O-N 3.19Å; V375-L379 HydrophobicContact CG1-CD1 4.25Å; V375-L379 WeakPolarHBondContact O-CG 3.44Å; V375-L379 PolarHBondContact O-N 3.33Å
376T91.2Very high88.9Confident56 Ų5665 Ų6534%0.34437%0.371SS..Hα-helixtrans-63-43.9177.3-51.60000111.5K372 L373 L379 G380K372-T376 PolarHBondContact O-N 3.3Å; L373-T376 PolarHBondContact O-N 3.41Å; T376-L379 PolarHBondContact O-N 3.4Å; T376-G380 PolarHBondContact O-N 3.03Å
377L93.1Very high89.8Confident107 Ų10766.2 Ų66.256%0.5637%0.372SS*.Hα-helixtrans-61.2-44.9175.2-71.4174.9000111.7L373 L379 G380 C381L373-L377 HydrophobicContact CD1-CG 4.38Å; L373-L377 HydrophobicContact CD2-CD1 4.45Å; L373-L377 HydrophobicContact CG-CD1 4.03Å; L373-L377 HydrophobicContact CG-CG 4.26Å; L373-L377 WeakPolarHBondContact O-CG 2.69Å; L373-L377 PolarHBondContact O-N 3.44Å; L377-L379 PolarHBondContact O-N 3.38Å; L377-G380 PolarHBondContact O-N 3.46Å; L377-C381 PolarHBondContact O-N 3.4Å; L377-C381 PolarHBondContact O-SG 3.15Å; L377-C381 VanDerWaalsContact O-SG 3.35Å
378L92.6Very high90.8Very high76 Ų7666.6 Ų66.640%0.39837%0.371SS..Hα-helixtrans-62-42.8178.5-177.862.3000112.2I106 G374 V375 G380 C381 F382I106-L378 HydrophobicContact CD1-CD2 3.53Å; I106-L378 HydrophobicContact CD1-CG 3.94Å; I106-L378 HydrophobicContact CG1-CD2 4.43Å; G374-L378 VanDerWaalsContact O-CB 3.3Å; G374-L378 WeakPolarHBondContact O-CB 3.28Å; G374-L378 PolarHBondContact O-N 3.44Å; V375-L378 PolarHBondContact O-N 3.19Å; L378-G380 VanDerWaalsContact C-N 3.34Å; L378-C381 WeakPolarHBondContact O-CB 3.42Å; L378-C381 PolarHBondContact O-N 3.15Å; L378-F382 HydrophobicContact CD1-CE1 4Å; L378-F382 HydrophobicContact CD1-CZ 4.11Å; L378-F382 HydrophobicContact CG-CZ 4.42Å; L378-F382 PolarHBondContact O-N 3.36Å
379L93.6Very high91.3Very high11 Ų1164.1 Ų64.16%0.05836%0.355CS..Hα-helixtrans-62.8-40.6174-73.3171000111.7I106 I290 V294 V375 T376 L377 C381 F382 W383I106-L379 HydrophobicContact CB-CD2 4.23Å; I106-L379 HydrophobicContact CG2-CD1 4.39Å; I106-L379 HydrophobicContact CG2-CD2 4.04Å; I106-L379 HydrophobicContact CG2-CG 4.09Å; I290-L379 HydrophobicContact CG2-CD1 4.24Å; I290-L379 HydrophobicContact CG2-CD2 4.3Å; V294-L379 HydrophobicContact CG2-CD1 3.91Å; V375-L379 HydrophobicContact CG1-CD1 4.25Å; V375-L379 WeakPolarHBondContact O-CG 3.44Å; V375-L379 PolarHBondContact O-N 3.33Å; T376-L379 PolarHBondContact O-N 3.4Å; L377-L379 PolarHBondContact O-N 3.38Å; L379-C381 PolarHBondContact O-N 3.18Å; L379-F382 PolarHBondContact O-N 3.04Å; L379-W383 WeakPolarHBondContact O-CB 3.11Å; L379-W383 PolarHBondContact O-N 3.35Å
380G93.2Very high91.6Very high33 Ų3362.4 Ų62.434%0.3434%0.343SS..Hα-helixtrans-61.7-39.5173.200000113.1T376 L377 L378 W383 L384T376-G380 PolarHBondContact O-N 3.03Å; L377-G380 PolarHBondContact O-N 3.46Å; L378-G380 VanDerWaalsContact C-N 3.34Å; G380-W383 WeakPolarHBondContact O-CB 2.9Å; G380-W383 PolarHBondContact O-N 3.24Å; G380-L384 PolarHBondContact O-N 3.49Å
381C94.4Very high91.4Very high72 Ų7265.7 Ų65.749%0.48635%0.348SS..Hα-helixtrans-63.4-44.8173.3-70.10000111.6L377 L378 L379 W383 L384 M385L377-C381 PolarHBondContact O-N 3.4Å; L377-C381 PolarHBondContact O-SG 3.15Å; L377-C381 VanDerWaalsContact O-SG 3.35Å; L378-C381 WeakPolarHBondContact O-CB 3.42Å; L378-C381 PolarHBondContact O-N 3.15Å; L379-C381 PolarHBondContact O-N 3.18Å; C381-W383 VanDerWaalsContact C-N 3.26Å; C381-W383 PolarHBondContact O-N 3.08Å; C381-L384 PolarHBondContact O-N 3.22Å; C381-M385 WeakPolarHBondContact O-CB 3.44Å; C381-M385 VanDerWaalsContact O-CG 3.23Å; C381-M385 WeakPolarHBondContact O-CG 3.25Å; C381-M385 PolarHBondContact O-N 3.09Å
382F93.6Very high91.4Very high46 Ų4667.9 Ų67.920%0.20236%0.358CS..Hα-helixtrans-63.9-33.7176.3-73.7-3.5000112.6L99 A102 S103 I106 L378 L379 S386L99-F382 HydrophobicContact CD2-CD1 4.07Å; L99-F382 HydrophobicContact CD2-CE1 4.42Å; L99-F382 HydrophobicContact CD2-CG 4.32Å; A102-F382 HydrophobicContact CB-CD2 4.4Å; A102-F382 HydrophobicContact CB-CE2 3.78Å; A102-F382 HydrophobicContact CB-CZ 4.49Å; S103-F382 WeakPolarHBondContact OG-CD2 3.37Å; I106-F382 HydrophobicContact CD1-CD2 3.95Å; I106-F382 HydrophobicContact CD1-CE2 3.36Å; I106-F382 HydrophobicContact CD1-CZ 4.18Å; L378-F382 HydrophobicContact CD1-CE1 4Å; L378-F382 HydrophobicContact CD1-CZ 4.11Å; L378-F382 HydrophobicContact CG-CZ 4.42Å; L378-F382 PolarHBondContact O-N 3.36Å; L379-F382 PolarHBondContact O-N 3.04Å; F382-S386 VanDerWaalsContact O-CB 3.31Å; F382-S386 WeakPolarHBondContact O-CB 3.46Å; F382-S386 PolarHBondContact O-N 2.99Å; F382-S386 PolarHBondContact O-OG 3.02Å
383W93.3Very high91.3Very high124 Ų12461.6 Ų61.647%0.4733%0.331SS..Hα-helixtrans-60.9-56.1171.7-173.744.9000111.5F287 L379 G380 C381 M385 S386 Y387F287-W383 HydrophobicContact CB-CG 4.4Å; F287-W383 HydrophobicContact CD1-CB 3.73Å; F287-W383 AromaticContact CD1-CD1 3.41Å; F287-W383 VanDerWaalsContact CD1-CD1 3.41Å; F287-W383 AromaticContact CD1-CG 3.79Å; F287-W383 HydrophobicContact CD1-CG 3.79Å; F287-W383 AromaticContact CD2-CD1 3.3Å; F287-W383 HydrophobicContact CD2-CG 4.34Å; F287-W383 AromaticContact CD2-NE1 3.96Å; F287-W383 VanDerWaalsContact CE1-CA 3.46Å; F287-W383 HydrophobicContact CE1-CB 3.57Å; F287-W383 AromaticContact CE1-CD1 3.89Å; F287-W383 HydrophobicContact CE1-CG 4.1Å; F287-W383 AromaticContact CE2-CD1 3.78Å; F287-W383 HydrophobicContact CG-CB 4.31Å; F287-W383 AromaticContact CG-CD1 3.09Å; F287-W383 AromaticContact CG-CG 3.93Å; F287-W383 HydrophobicContact CG-CG 3.93Å; F287-W383 AromaticContact CG-NE1 3.65Å; F287-W383 VanDerWaalsContact CZ-CA 3.42Å; F287-W383 HydrophobicContact CZ-CB 4.04Å; F287-W383 HydrophobicContact CZ-CG 4.5Å; L379-W383 WeakPolarHBondContact O-CB 3.11Å; L379-W383 PolarHBondContact O-N 3.35Å; G380-W383 WeakPolarHBondContact O-CB 2.9Å; G380-W383 PolarHBondContact O-N 3.24Å; C381-W383 VanDerWaalsContact C-N 3.26Å; C381-W383 PolarHBondContact O-N 3.08Å; W383-M385 VanDerWaalsContact C-N 3.32Å; W383-M385 PolarHBondContact O-N 2.9Å; W383-S386 WeakPolarHBondContact O-CB 3.44Å; W383-S386 PolarHBondContact O-N 3.04Å; W383-S386 VanDerWaalsContact O-N 3.08Å; W383-Y387 AromaticContact CD1-CD2 3.8Å; W383-Y387 AromaticContact CD1-CE2 3.35Å; W383-Y387 HydrophobicContact CD2-CE2 4.48Å; W383-Y387 AromaticContact CE2-CE2 3.71Å; W383-Y387 HydrophobicContact CG-CE2 4.32Å; W383-Y387 HydrophobicContact CZ2-CE2 4.3Å; W383-Y387 AromaticContact NE1-CD2 3.88Å; W383-Y387 AromaticContact NE1-CE2 3.03Å; W383-Y387 AromaticContact NE1-CZ 3.63Å; W383-Y387 VanDerWaalsContact O-CD2 3.31Å; W383-Y387 WeakPolarHBondContact O-CD2 3.32Å; W383-Y387 PolarHBondContact O-N 3.46Å; W383-Y387 VanDerWaalsContact O-N 3.09Å
384L93.3Very high91.1Very high125 Ų12555.7 Ų55.765%0.65430%0.3SS*.Hα-helixtrans-57.4-45.3178.6-176.565000111.9G380 C381 S386 Y387 L388G380-L384 PolarHBondContact O-N 3.49Å; C381-L384 PolarHBondContact O-N 3.22Å; L384-S386 VanDerWaalsContact C-N 3.31Å; L384-S386 PolarHBondContact O-N 3.34Å; L384-Y387 PolarHBondContact O-N 2.86Å; L384-L388 PolarHBondContact O-N 2.85Å
385M92.6Very high90.9Very high87 Ų8757.5 Ų57.543%0.42929%0.292SS..Hα-helixtrans-62.8-37.2177.6-71-59-67.100112.3L99 C381 W383 L388 M389L99-M385 HydrophobicContact CD1-CB 3.93Å; C381-M385 WeakPolarHBondContact O-CB 3.44Å; C381-M385 VanDerWaalsContact O-CG 3.23Å; C381-M385 WeakPolarHBondContact O-CG 3.25Å; C381-M385 PolarHBondContact O-N 3.09Å; W383-M385 VanDerWaalsContact C-N 3.32Å; W383-M385 PolarHBondContact O-N 2.9Å; M385-L388 HydrophobicContact CE-CD2 4.5Å; M385-L388 PolarHBondContact O-N 2.82Å; M385-L388 HydrophobicContact SD-CD2 4.25Å; M385-M389 WeakPolarHBondContact O-CB 3.44Å; M385-M389 WeakPolarHBondContact O-CG 3.06Å; M385-M389 PolarHBondContact O-N 2.77Å
386S92.5Very high90.9Very high0 Ų056.8 Ų56.80%029%0.288CS..Hα-helixtrans-65.5-39.9177.1-63.70000111.8R96 L99 F382 W383 L384 M389 V390R96-S386 WeakPolarHBondContact CD-O 3.08Å; L99-S386 WeakPolarHBondContact CB-OG 3.46Å; L99-S386 WeakPolarHBondContact CD1-OG 3.33Å; F382-S386 VanDerWaalsContact O-CB 3.31Å; F382-S386 WeakPolarHBondContact O-CB 3.46Å; F382-S386 PolarHBondContact O-N 2.99Å; F382-S386 PolarHBondContact O-OG 3.02Å; W383-S386 WeakPolarHBondContact O-CB 3.44Å; W383-S386 PolarHBondContact O-N 3.04Å; W383-S386 VanDerWaalsContact O-N 3.08Å; L384-S386 VanDerWaalsContact C-N 3.31Å; L384-S386 PolarHBondContact O-N 3.34Å; S386-M389 PolarHBondContact O-N 3.36Å; S386-V390 PolarHBondContact O-N 3.44Å
387Y91.2Very high90.7Very high56 Ų5656.8 Ų56.822%0.2228%0.282CS..Hα-helixtrans-66.3-46.1174.3-85-112.5000111.2L280 V283 T284 W383 L384 M389 V390 F391L280-Y387 HydrophobicContact CD1-CD1 3.44Å; L280-Y387 VanDerWaalsContact CD1-CD1 3.44Å; L280-Y387 HydrophobicContact CD1-CE1 3.42Å; L280-Y387 VanDerWaalsContact CD1-CE1 3.42Å; L280-Y387 HydrophobicContact CD1-CG 4.33Å; L280-Y387 HydrophobicContact CG-CE1 4.4Å; V283-Y387 HydrophobicContact CG1-CD2 3.98Å; V283-Y387 HydrophobicContact CG1-CE2 3.78Å; T284-Y387 HydrophobicContact CG2-CE1 4.26Å; T284-Y387 WeakPolarHBondContact CG2-OH 3.03Å; W383-Y387 AromaticContact CD1-CD2 3.8Å; W383-Y387 AromaticContact CD1-CE2 3.35Å; W383-Y387 HydrophobicContact CD2-CE2 4.48Å; W383-Y387 AromaticContact CE2-CE2 3.71Å; W383-Y387 HydrophobicContact CG-CE2 4.32Å; W383-Y387 HydrophobicContact CZ2-CE2 4.3Å; W383-Y387 AromaticContact NE1-CD2 3.88Å; W383-Y387 AromaticContact NE1-CE2 3.03Å; W383-Y387 AromaticContact NE1-CZ 3.63Å; W383-Y387 VanDerWaalsContact O-CD2 3.31Å; W383-Y387 WeakPolarHBondContact O-CD2 3.32Å; W383-Y387 PolarHBondContact O-N 3.46Å; W383-Y387 VanDerWaalsContact O-N 3.09Å; L384-Y387 PolarHBondContact O-N 2.86Å; Y387-M389 PolarHBondContact O-N 3.02Å; Y387-V390 WeakPolarHBondContact O-CB 3.01Å; Y387-V390 PolarHBondContact O-N 2.91Å; Y387-F391 WeakPolarHBondContact O-CD2 3.24Å; Y387-F391 PolarHBondContact O-N 2.87Å
388L91.4Very high90.4Very high87 Ų8753.5 Ų53.546%0.45526%0.262SS..Hα-helixtrans-55.8-42.4175.2-17567.1000111.2L384 M385 V390 F391 L392L384-L388 PolarHBondContact O-N 2.85Å; M385-L388 HydrophobicContact CE-CD2 4.5Å; M385-L388 PolarHBondContact O-N 2.82Å; M385-L388 HydrophobicContact SD-CD2 4.25Å; L388-V390 VanDerWaalsContact C-N 3.28Å; L388-V390 PolarHBondContact O-N 2.91Å; L388-F391 PolarHBondContact O-N 3.46Å; L388-L392 HydrophobicContact CD2-CD1 4.2Å; L388-L392 HydrophobicContact CG-CD1 3.85Å; L388-L392 HydrophobicContact CG-CG 4.24Å; L388-L392 WeakPolarHBondContact O-CG 3.47Å; L388-L392 PolarHBondContact O-N 3.3Å
389M90.7Very high90.3Very high19 Ų1954 Ų549%0.09426%0.264CS..Hα-helixtrans-63.4-26.9175.9-79-169.1172.800114.1V90 R96 L99 M385 S386 Y387 F391 E393V90-M389 HydrophobicContact CG1-CE 3.97Å; R96-M389 HydrophobicContact CG-CB 3.68Å; R96-M389 HydrophobicContact CG-SD 4.03Å; L99-M389 HydrophobicContact CD1-CE 4.1Å; L99-M389 HydrophobicContact CD1-SD 3.65Å; M385-M389 WeakPolarHBondContact O-CB 3.44Å; M385-M389 WeakPolarHBondContact O-CG 3.06Å; M385-M389 PolarHBondContact O-N 2.77Å; S386-M389 PolarHBondContact O-N 3.36Å; Y387-M389 PolarHBondContact O-N 3.02Å; M389-F391 VanDerWaalsContact C-N 3.34Å; M389-E393 VanDerWaalsContact O-CB 3.27Å; M389-E393 WeakPolarHBondContact O-CB 3.48Å; M389-E393 PolarHBondContact O-N 2.72Å
390V89.8Confident90.3Very high2 Ų254.9 Ų54.91%0.01227%0.267CS..Hα-helixtrans-65.7-40.6174.5172.90000110.6S276 L280 V283 S386 Y387 L388S276-V390 VanDerWaalsContact OG-CG1 3.25Å; S276-V390 WeakPolarHBondContact OG-CG1 3.46Å; L280-V390 HydrophobicContact CB-CG1 4.48Å; V283-V390 HydrophobicContact CG2-CG2 4.28Å; S386-V390 PolarHBondContact O-N 3.44Å; Y387-V390 WeakPolarHBondContact O-CB 3.01Å; Y387-V390 PolarHBondContact O-N 2.91Å; L388-V390 VanDerWaalsContact C-N 3.28Å; L388-V390 PolarHBondContact O-N 2.91Å
391F85.2Confident90.1Very high120 Ų12054.5 Ų54.553%0.52626%0.255SS..Hα-helixtrans-73.1-44.6175.8-61.9-74000111.8Y387 L388 M389 E393Y387-F391 WeakPolarHBondContact O-CD2 3.24Å; Y387-F391 PolarHBondContact O-N 2.87Å; L388-F391 PolarHBondContact O-N 3.46Å; M389-F391 VanDerWaalsContact C-N 3.34Å; F391-E393 PolarHBondContact O-N 2.83Å
392L87.9Confident89.9Confident68 Ų6855.6 Ų55.636%0.35626%0.256SS..Hα-helixtrans-64.7-25.3177.9-67.9176.9000112.5C91 L388 V394 Y395 A396C91-L392 HydrophobicContact CB-CB 4.4Å; L388-L392 HydrophobicContact CD2-CD1 4.2Å; L388-L392 HydrophobicContact CG-CD1 3.85Å; L388-L392 HydrophobicContact CG-CG 4.24Å; L388-L392 WeakPolarHBondContact O-CG 3.47Å; L388-L392 PolarHBondContact O-N 3.3Å; L392-V394 PolarHBondContact O-N 3.5Å; L392-Y395 CarbonylContact O-C 3.55Å; L392-Y395 PolarHBondContact O-N 3.35Å; L392-Y395 VanDerWaalsContact O-N 3.07Å; L392-A396 VanDerWaalsContact O-CB 3.31Å; L392-A396 WeakPolarHBondContact O-CB 3.04Å; L392-A396 PolarHBondContact O-N 2.92Å
393E89.2Confident89.9Confident6 Ų653.7 Ų53.73%0.02825%0.248CC..Hα-helixtrans-56.9-36.5-178.2178179.8176.400113C91 K93 R96 M389 F391 R397C91-E393 VanDerWaalsContact O-CA 3.23Å; C91-E393 WeakPolarHBondContact O-CA 3.31Å; K93-E393 WeakPolarHBondContact CE-OE1 3.46Å; K93-E393 WeakPolarHBondContact CG-OE1 3.31Å; R96-E393 IonicContact CZ-OE2 3.83Å; R96-E393 IonicContact NH1-OE2 2.73Å; R96-E393 PolarHBondContact NH1-OE2 3.2Å; R96-E393 IonicContact NH2-OE2 2.64Å; R96-E393 PolarHBondContact NH2-OE2 3.37Å; M389-E393 VanDerWaalsContact O-CB 3.27Å; M389-E393 WeakPolarHBondContact O-CB 3.48Å; M389-E393 PolarHBondContact O-N 2.72Å; F391-E393 PolarHBondContact O-N 2.83Å; E393-R397 WeakPolarHBondContact O-CB 3.08Å; E393-R397 WeakPolarHBondContact O-CG 3.41Å; E393-R397 PolarHBondContact O-N 2.9Å; E393-R397 PolarHBondContact O-NE 3.47Å; E393-R397 IonicContact OE1-CZ 3.68Å; E393-R397 IonicContact OE1-NE 3.45Å; E393-R397 IonicContact OE1-NH2 3.92Å; E393-R397 PolarHBondContact OE1-NH2 2.76Å
394V84.9Confident89.9Confident3 Ų347.8 Ų47.82%0.01823%0.226CC..Hα-helixtrans-64.1-46.8178.2-179.80000109.9L392 R397 R398L392-V394 PolarHBondContact O-N 3.5Å; V394-R397 PolarHBondContact O-N 1.98Å; V394-R398 WeakPolarHBondContact O-CG 2.98Å; V394-R398 PolarHBondContact O-N 2.81Å
395Y85.7Confident89.8Confident88 Ų8842.7 Ų42.735%0.34520%0.202SC..Hα-helixtrans-70.3-37.5178.7-61.8-72.8000112.5L392 R397 R398 L399L392-Y395 CarbonylContact O-C 3.55Å; L392-Y395 PolarHBondContact O-N 3.35Å; L392-Y395 VanDerWaalsContact O-N 3.07Å; Y395-R397 VanDerWaalsContact C-N 3.34Å; Y395-R397 PolarHBondContact O-N 2.65Å; Y395-R398 PolarHBondContact O-N 3.2Å; Y395-L399 WeakPolarHBondContact O-CB 3.23Å; Y395-L399 PolarHBondContact O-N 2.92Å
396A90.4Very high89.8Confident6 Ų640 Ų405%0.0519%0.191CC..Hα-helixtrans-61.8-42175.900000111.6P88 C91 T92 L392 L399 R400P88-A396 HydrophobicContact CB-CB 4.42Å; P88-A396 WeakPolarHBondContact O-CB 3.34Å; C91-A396 HydrophobicContact CB-CB 3.69Å; T92-A396 HydrophobicContact CG2-CB 4.11Å; L392-A396 VanDerWaalsContact O-CB 3.31Å; L392-A396 WeakPolarHBondContact O-CB 3.04Å; L392-A396 PolarHBondContact O-N 2.92Å; A396-L399 PolarHBondContact O-N 3.48Å; A396-R400 WeakPolarHBondContact O-CG 3.46Å; A396-R400 PolarHBondContact O-N 2.92Å
397R86.4Confident89.9Confident57 Ų5740.2 Ų40.222%0.21519%0.192CC..Hα-helixtrans-59.4-47.7173.4-80.8-175.1-92.7171.9-11.2111.8E393 V394 Y395 L399 R400 R401E393-R397 WeakPolarHBondContact O-CB 3.08Å; E393-R397 WeakPolarHBondContact O-CG 3.41Å; E393-R397 PolarHBondContact O-N 2.9Å; E393-R397 PolarHBondContact O-NE 3.47Å; E393-R397 IonicContact OE1-CZ 3.68Å; E393-R397 IonicContact OE1-NE 3.45Å; E393-R397 IonicContact OE1-NH2 3.92Å; E393-R397 PolarHBondContact OE1-NH2 2.76Å; V394-R397 PolarHBondContact O-N 1.98Å; Y395-R397 VanDerWaalsContact C-N 3.34Å; Y395-R397 PolarHBondContact O-N 2.65Å; R397-L399 VanDerWaalsContact C-N 3.34Å; R397-L399 PolarHBondContact O-N 3.27Å; R397-R400 PolarHBondContact O-N 3.43Å; R397-R401 PolarHBondContact O-N 3.41Å
398R87.3Confident90.1Very high37 Ų3739.4 Ų39.414%0.1419%0.19CC..Hα-helixtrans-62.4-41.1176.7-65.6173.4-173.2-165.71111.8F245 V265 K267 E272 V394 Y395 R401 N402F245-R398 VanDerWaalsContact CE2-NH2 3.25Å; V265-R398 PolarHBondContact O-NH1 3.34Å; K267-R398 PolarHBondContact O-NH1 2.83Å; K267-R398 PolarHBondContact O-NH2 2.92Å; E272-R398 IonicContact OE1-CZ 3.93Å; E272-R398 IonicContact OE1-NE 3.82Å; E272-R398 IonicContact OE1-NH2 2.89Å; E272-R398 PolarHBondContact OE1-NH2 3.35Å; E272-R398 IonicContact OE2-NH2 3.13Å; E272-R398 PolarHBondContact OE2-NH2 2.85Å; V394-R398 WeakPolarHBondContact O-CG 2.98Å; V394-R398 PolarHBondContact O-N 2.81Å; Y395-R398 PolarHBondContact O-N 3.2Å; R398-R401 WeakPolarHBondContact O-CB 3.12Å; R398-R401 PolarHBondContact O-N 3.03Å; R398-N402 PolarHBondContact O-N 2.81Å
399L90.1Very high90.1Very high87 Ų8741.6 Ų41.646%0.45519%0.192SC..Hα-helixtrans-64.6-44.1178.2-176.755.9000111.6P88 Y395 A396 R397 R401 N402 I403P88-L399 HydrophobicContact CB-CB 4.35Å; P88-L399 HydrophobicContact CB-CD2 4.05Å; P88-L399 HydrophobicContact CB-CG 4.22Å; P88-L399 HydrophobicContact CG-CD2 4.48Å; P88-L399 HydrophobicContact CG-CG 4.43Å; Y395-L399 WeakPolarHBondContact O-CB 3.23Å; Y395-L399 PolarHBondContact O-N 2.92Å; A396-L399 PolarHBondContact O-N 3.48Å; R397-L399 VanDerWaalsContact C-N 3.34Å; R397-L399 PolarHBondContact O-N 3.27Å; L399-R401 VanDerWaalsContact C-N 3.29Å; L399-R401 PolarHBondContact O-N 3.17Å; L399-N402 PolarHBondContact O-N 3.46Å; L399-N402 VanDerWaalsContact O-N 3.13Å; L399-I403 HydrophobicContact CD1-CD1 4.34Å; L399-I403 HydrophobicContact CD1-CG1 4.28Å; L399-I403 HydrophobicContact CG-CD1 4.04Å; L399-I403 HydrophobicContact CG-CG1 4.46Å; L399-I403 VanDerWaalsContact O-CG1 3.24Å; L399-I403 WeakPolarHBondContact O-CG1 3.11Å; L399-I403 PolarHBondContact O-N 3.47Å
400R92.5Very high90.1Very high29 Ų2947.6 Ų47.611%0.10922%0.22CC..Hα-helixtrans-56.1-45.1174.4-72-174.3-52.3176.75.6111.8P88 T89 Y231 A396 R397 I403 C404P88-R400 HydrophobicContact CB-CG 3.89Å; P88-R400 HydrophobicContact CG-CG 3.74Å; T89-R400 VanDerWaalsContact OG1-CD 3.25Å; T89-R400 WeakPolarHBondContact OG1-CD 3.22Å; Y231-R400 HydrophobicContact CE1-CB 4.07Å; A396-R400 WeakPolarHBondContact O-CG 3.46Å; A396-R400 PolarHBondContact O-N 2.92Å; R397-R400 PolarHBondContact O-N 3.43Å; R400-I403 PolarHBondContact O-N 3.09Å; R400-C404 PolarHBondContact O-N 3.28Å; R400-C404 PolarHBondContact O-SG 3.29Å; R400-C404 VanDerWaalsContact O-SG 3.37Å
401R90.1Very high90.1Very high26 Ų2648.5 Ų48.510%0.09822%0.224CC..Hα-helixtrans-60.1-47.5175.5-171.1-166.2158.8178.7-7.2111.6Y235 I246 R397 R398 L399 I403 C404 A405 E412Y235-R401 HydrophobicContact CE2-CG 3.99Å; I246-R401 VanDerWaalsContact CD1-NH2 3.26Å; R397-R401 PolarHBondContact O-N 3.41Å; R398-R401 WeakPolarHBondContact O-CB 3.12Å; R398-R401 PolarHBondContact O-N 3.03Å; L399-R401 VanDerWaalsContact C-N 3.29Å; L399-R401 PolarHBondContact O-N 3.17Å; R401-I403 VanDerWaalsContact C-N 3.29Å; R401-I403 PolarHBondContact O-N 3.03Å; R401-C404 PolarHBondContact O-N 3.1Å; R401-A405 WeakPolarHBondContact O-CB 3.26Å; R401-A405 PolarHBondContact O-N 3.44Å; R401-E412 IonicContact CZ-OE1 3.76Å; R401-E412 IonicContact NH2-OE1 3.92Å; R401-E412 PolarHBondContact NH2-OE1 3.27Å; R401-E412 IonicContact NH2-OE2 2.82Å
402N89.9Confident90.4Very high95 Ų9543.3 Ų43.351%0.50820%0.202SC..Hα-helixtrans-63.5-35179.9-72.2-10.3000112.6R398 L399 S406R398-N402 PolarHBondContact O-N 2.81Å; L399-N402 PolarHBondContact O-N 3.46Å; L399-N402 VanDerWaalsContact O-N 3.13Å; N402-S406 WeakPolarHBondContact O-CB 3.28Å; N402-S406 PolarHBondContact O-N 2.95Å; N402-S406 PolarHBondContact O-OG 3.01Å
403I93.8Very high90.4Very high5 Ų544.4 Ų44.43%0.02621%0.208CC..Hα-helixtrans-62.8-53.9172.7-64.9164.8000109.2W12 T84 M85 P88 L399 R400 R401 A405 S406 F407W12-I403 HydrophobicContact CH2-CG1 4Å; W12-I403 HydrophobicContact CH2-CG2 4.45Å; W12-I403 HydrophobicContact CZ2-CG1 4.26Å; T84-I403 HydrophobicContact CG2-CD1 4.12Å; T84-I403 HydrophobicContact CG2-CG1 4.46Å; T84-I403 HydrophobicContact CG2-CG2 4.12Å; M85-I403 HydrophobicContact CG-CB 4.16Å; M85-I403 HydrophobicContact CG-CD1 4.31Å; M85-I403 HydrophobicContact CG-CG2 3.81Å; P88-I403 HydrophobicContact CG-CD1 3.72Å; L399-I403 HydrophobicContact CD1-CD1 4.34Å; L399-I403 HydrophobicContact CD1-CG1 4.28Å; L399-I403 HydrophobicContact CG-CD1 4.04Å; L399-I403 HydrophobicContact CG-CG1 4.46Å; L399-I403 VanDerWaalsContact O-CG1 3.24Å; L399-I403 WeakPolarHBondContact O-CG1 3.11Å; L399-I403 PolarHBondContact O-N 3.47Å; R400-I403 PolarHBondContact O-N 3.09Å; R401-I403 VanDerWaalsContact C-N 3.29Å; R401-I403 PolarHBondContact O-N 3.03Å; I403-A405 VanDerWaalsContact C-N 3.28Å; I403-A405 PolarHBondContact O-N 3.05Å; I403-S406 WeakPolarHBondContact O-CB 3.39Å; I403-S406 PolarHBondContact O-N 2.93Å; I403-F407 HydrophobicContact CG2-CD2 3.94Å; I403-F407 HydrophobicContact CG2-CE2 3.96Å; I403-F407 VanDerWaalsContact O-CD2 3.32Å; I403-F407 WeakPolarHBondContact O-CD2 3.28Å; I403-F407 PolarHBondContact O-N 2.89Å; I403-F407 VanDerWaalsContact O-N 3.09Å
404C93.5Very high90.4Very high0 Ų051.5 Ų51.50%023%0.234CC..Hα-helixtrans-56-42.4177.3-64.50000112.6M85 Y235 R400 R401 S406 F407 F408M85-C404 PolarHBondContact SD-SG 2.83Å; Y235-C404 HydrophobicContact CD1-CB 3.74Å; Y235-C404 HydrophobicContact CD2-CB 3.69Å; Y235-C404 HydrophobicContact CE1-CB 3.63Å; Y235-C404 HydrophobicContact CE2-CB 3.54Å; Y235-C404 HydrophobicContact CG-CB 3.8Å; R400-C404 PolarHBondContact O-N 3.28Å; R400-C404 PolarHBondContact O-SG 3.29Å; R400-C404 VanDerWaalsContact O-SG 3.37Å; R401-C404 PolarHBondContact O-N 3.1Å; C404-S406 VanDerWaalsContact C-N 3.32Å; C404-S406 PolarHBondContact O-N 3.21Å; C404-F407 PolarHBondContact O-N 3.4Å; C404-F408 PolarHBondContact O-N 2.84Å
405A91.6Very high90.6Very high18 Ų1851.3 Ų51.315%0.14923%0.233CC..Hα-helixtrans-64.2-35.617800000112.9Y235 R401 I403 E412Y235-A405 WeakPolarHBondContact OH-CA 3.45Å; Y235-A405 PolarHBondContact OH-N 2.87Å; R401-A405 WeakPolarHBondContact O-CB 3.26Å; R401-A405 PolarHBondContact O-N 3.44Å; I403-A405 VanDerWaalsContact C-N 3.28Å; I403-A405 PolarHBondContact O-N 3.05Å; A405-E412 HydrophobicContact CB-CB 4.16Å; A405-E412 HydrophobicContact CB-CG 3.95Å
406S92.9Very high90.5Very high31 Ų3154 Ų5422%0.21724%0.243CC..Hα-helixtrans-68.5-41.9177.1-58.10000111.5W12 N402 I403 C404W12-S406 PolarHBondContact NE1-OG 3.4Å; N402-S406 WeakPolarHBondContact O-CB 3.28Å; N402-S406 PolarHBondContact O-N 2.95Å; N402-S406 PolarHBondContact O-OG 3.01Å; I403-S406 WeakPolarHBondContact O-CB 3.39Å; I403-S406 PolarHBondContact O-N 2.93Å; C404-S406 VanDerWaalsContact C-N 3.32Å; C404-S406 PolarHBondContact O-N 3.21Å
407F94.6Very high90.4Very high4 Ų456.7 Ų56.72%0.01827%0.266CS..Hα-helixtrans-74.9-38.6-179.8-82.7-103.2000112.7W12 Y15 S16 H77 R80 C81 I403 C404W12-F407 HydrophobicContact CH2-CE2 4.42Å; Y15-F407 HydrophobicContact CD1-CE2 4.39Å; Y15-F407 AromaticContact CD1-CZ 3.78Å; Y15-F407 HydrophobicContact CD1-CZ 3.78Å; Y15-F407 HydrophobicContact CE1-CE2 4.38Å; Y15-F407 AromaticContact CE1-CZ 3.64Å; Y15-F407 HydrophobicContact CE1-CZ 3.64Å; S16-F407 WeakPolarHBondContact O-CA 3.46Å; H77-F407 AromaticContact CD2-CD1 3.8Å; H77-F407 AromaticContact CE1-CD1 3.87Å; H77-F407 PolarHBondContact CE1-O 3.4Å; H77-F407 AromaticContact NE2-CD1 3.41Å; H77-F407 WeakPolarHBondContact NE2-CD1 3.42Å; H77-F407 PolarHBondContact NE2-O 3.49Å; R80-F407 HydrophobicContact CB-CE1 3.57Å; R80-F407 HydrophobicContact CB-CZ 4.14Å; C81-F407 HydrophobicContact CB-CB 4.11Å; C81-F407 HydrophobicContact CB-CD1 3.62Å; C81-F407 HydrophobicContact CB-CD2 4.21Å; C81-F407 HydrophobicContact CB-CE1 4.07Å; C81-F407 HydrophobicContact CB-CG 3.71Å; I403-F407 HydrophobicContact CG2-CD2 3.94Å; I403-F407 HydrophobicContact CG2-CE2 3.96Å; I403-F407 VanDerWaalsContact O-CD2 3.32Å; I403-F407 WeakPolarHBondContact O-CD2 3.28Å; I403-F407 PolarHBondContact O-N 2.89Å; I403-F407 VanDerWaalsContact O-N 3.09Å; C404-F407 PolarHBondContact O-N 3.4Å
408F94.6Very high90.4Very high40 Ų4057.1 Ų57.118%0.17527%0.267CS..  trans-121.270.8-174.2-62.5-87.2000111.4H77 P78 C81 L232 L236 C404 E410 Q411 E412H77-F408 AromaticContact CE1-CE1 3.93Å; H77-F408 AromaticContact CE1-CZ 3.83Å; H77-F408 AromaticContact ND1-CE1 3.88Å; H77-F408 AromaticContact ND1-CZ 3.72Å; P78-F408 HydrophobicContact CB-CZ 4.18Å; P78-F408 HydrophobicContact CG-CZ 4.22Å; C81-F408 HydrophobicContact CB-CE2 4.14Å; L232-F408 HydrophobicContact CD1-CD2 3.99Å; L232-F408 HydrophobicContact CD1-CE2 3.6Å; L232-F408 HydrophobicContact CD1-CZ 4.39Å; L232-F408 HydrophobicContact CD2-CE2 4.24Å; L232-F408 HydrophobicContact CG-CE2 4.48Å; L236-F408 HydrophobicContact CD1-CD1 4.44Å; L236-F408 HydrophobicContact CD1-CE1 4.05Å; L236-F408 HydrophobicContact CD1-CE2 4.38Å; L236-F408 HydrophobicContact CD1-CZ 4.02Å; L236-F408 HydrophobicContact CD2-CB 3.92Å; L236-F408 HydrophobicContact CD2-CD1 3.64Å; L236-F408 HydrophobicContact CD2-CD2 3.98Å; L236-F408 HydrophobicContact CD2-CE1 4.1Å; L236-F408 HydrophobicContact CD2-CE2 4.42Å; L236-F408 HydrophobicContact CD2-CG 3.57Å; L236-F408 HydrophobicContact CD2-CZ 4.47Å; C404-F408 PolarHBondContact O-N 2.84Å; F408-E410 PolarHBondContact O-N 3.25Å; F408-Q411 HydrophobicContact CB-CB 4.18Å; F408-Q411 PolarHBondContact O-N 2.87Å; F408-E412 PolarHBondContact O-N 3.44Å
409R91.3Very high90.2Very high132 Ų13256.3 Ų56.350%0.49827%0.266SS..Hα-helixtrans-59.6-46.7-176.3-64-176.6-175.8179.1-0.2113D13 Q411 E412 D413D13-R409 IonicContact OD1-CZ 2.76Å; D13-R409 IonicContact OD1-NH1 3.02Å; D13-R409 IonicContact OD1-NH2 3.26Å; D13-R409 PolarHBondContact OD1-NH2 3.49Å; R409-Q411 PolarHBondContact O-N 3.36Å; R409-E412 PolarHBondContact O-N 3.18Å; R409-D413 PolarHBondContact O-N 3.41Å
410E90.9Very high89.9Confident146 Ų14655.1 Ų55.168%0.68226%0.262SS*.Hα-helixtrans-56.3-39.1179-66.1-177.5-174.100112.6F408 D413 R414F408-E410 PolarHBondContact O-N 3.25Å; E410-D413 PolarHBondContact O-N 3.23Å; E410-R414 WeakPolarHBondContact O-CG 3.46Å; E410-R414 PolarHBondContact O-N 3.5Å
411Q90.6Very high89.7Confident20 Ų2059.9 Ų59.99%0.09328%0.284CS..Hα-helixtrans-69.5-39.3177.8-176.867.2-3.600111.4Y235 L236 F408 R409 D413 R414 R415Y235-Q411 HydrophobicContact CD1-CG 4.37Å; Y235-Q411 HydrophobicContact CE1-CG 4.1Å; Y235-Q411 PolarHBondContact O-NE2 3.22Å; L236-Q411 HydrophobicContact CD2-CB 4.38Å; L236-Q411 HydrophobicContact CD2-CG 4.24Å; L236-Q411 PolarHBondContact O-NE2 2.76Å; F408-Q411 HydrophobicContact CB-CB 4.18Å; F408-Q411 PolarHBondContact O-N 2.87Å; R409-Q411 PolarHBondContact O-N 3.36Å; Q411-D413 VanDerWaalsContact C-N 3.32Å; Q411-R414 PolarHBondContact O-N 2.76Å; Q411-R415 VanDerWaalsContact O-CG 3.27Å; Q411-R415 WeakPolarHBondContact O-CG 3.13Å; Q411-R415 PolarHBondContact O-N 3.36Å
412E89.6Confident89.4Confident12 Ų1263 Ų636%0.05630%0.298CS..Hα-helixtrans-65.8-36.5175.2-17663.4-175.900111.6Y235 R401 A405 F408 R409 R415 R416Y235-E412 PolarHBondContact OH-OE2 3.11Å; R401-E412 IonicContact CZ-OE1 3.76Å; R401-E412 IonicContact NH2-OE1 3.92Å; R401-E412 PolarHBondContact NH2-OE1 3.27Å; R401-E412 IonicContact NH2-OE2 2.82Å; A405-E412 HydrophobicContact CB-CB 4.16Å; A405-E412 HydrophobicContact CB-CG 3.95Å; F408-E412 PolarHBondContact O-N 3.44Å; R409-E412 PolarHBondContact O-N 3.18Å; E412-R415 WeakPolarHBondContact O-CB 3.36Å; E412-R415 PolarHBondContact O-N 3.46Å; E412-R415 IonicContact OE2-NE 2.66Å; E412-R416 WeakPolarHBondContact O-CG 3.41Å; E412-R416 PolarHBondContact O-N 3.21Å; E412-R416 IonicContact OE1-NE 3.54Å
413D89.2Confident89.1Confident91 Ų9161.4 Ų61.449%0.48729%0.289SS..Hα-helixtrans-64.7-44.5175.8-66.1-30.2000111.6R409 E410 Q411 R415 R416 A417R409-D413 PolarHBondContact O-N 3.41Å; E410-D413 PolarHBondContact O-N 3.23Å; Q411-D413 VanDerWaalsContact C-N 3.32Å; D413-R415 VanDerWaalsContact C-N 3.28Å; D413-R415 PolarHBondContact O-N 2.99Å; D413-R416 PolarHBondContact O-N 3.08Å; D413-A417 PolarHBondContact O-N 2.68Å
414R89Confident88.7Confident154 Ų15464.9 Ų64.958%0.58131%0.305SS*.Hα-helixtrans-57.4-41.1172.4-71.5174.6-174.4-177.92.9111.9E410 Q411 Y418E410-R414 WeakPolarHBondContact O-CG 3.46Å; E410-R414 PolarHBondContact O-N 3.5Å; Q411-R414 PolarHBondContact O-N 2.76Å; R414-Y418 WeakPolarHBondContact O-CB 3.47Å; R414-Y418 PolarHBondContact O-N 3.05Å
415R87.9Confident88.4Confident0 Ų069.7 Ų69.70%033%0.328CS..Hα-helixtrans-67.1-42.5177.8-73.5174.663.3151.62.1112.3V239 F241 N243 Q411 E412 D413 Y418 L419V239-R415 HydrophobicContact CB-CG 4.19Å; V239-R415 HydrophobicContact CG1-CG 4.32Å; F241-R415 VanDerWaalsContact O-CZ 3.28Å; F241-R415 PolarHBondContact O-NH1 3.02Å; F241-R415 PolarHBondContact O-NH2 2.93Å; N243-R415 PolarHBondContact OD1-NH2 3.41Å; Q411-R415 VanDerWaalsContact O-CG 3.27Å; Q411-R415 WeakPolarHBondContact O-CG 3.13Å; Q411-R415 PolarHBondContact O-N 3.36Å; E412-R415 WeakPolarHBondContact O-CB 3.36Å; E412-R415 PolarHBondContact O-N 3.46Å; E412-R415 IonicContact OE2-NE 2.66Å; D413-R415 VanDerWaalsContact C-N 3.28Å; D413-R415 PolarHBondContact O-N 2.99Å; R415-Y418 PolarHBondContact O-N 3.09Å; R415-L419 WeakPolarHBondContact O-CG 3.34Å; R415-L419 PolarHBondContact O-N 3.08Å
416R85.1Confident88Confident143 Ų14372.8 Ų72.854%0.5434%0.338SS..Hα-helixtrans-61-47.1175-73.3176.9-174-171.55.4110.9E412 D413 Y418 L419 T420E412-R416 WeakPolarHBondContact O-CG 3.41Å; E412-R416 PolarHBondContact O-N 3.21Å; E412-R416 IonicContact OE1-NE 3.54Å; D413-R416 PolarHBondContact O-N 3.08Å; R416-Y418 PolarHBondContact O-N 2.88Å; R416-L419 PolarHBondContact O-N 2.87Å; R416-T420 PolarHBondContact O-N 3.4Å; R416-T420 PolarHBondContact O-OG1 3.39Å
417A87.8Confident87.5Confident64 Ų6475.6 Ų75.653%0.52935%0.348SS..Hα-helixtrans-58.8-44.7176.900000112.4D413 L419 T420 K421D413-A417 PolarHBondContact O-N 2.68Å; A417-L419 PolarHBondContact O-N 2.88Å; A417-T420 PolarHBondContact O-N 3.18Å; A417-K421 WeakPolarHBondContact O-CB 3.15Å; A417-K421 PolarHBondContact O-N 2.63Å
418Y87.2Confident87.1Confident65 Ų6581.8 Ų81.826%0.25538%0.375SS..Hα-helixtrans-59.8-43.7175.3172.2-103.6000112.5V239 Q240 R414 R415 R416 K422V239-Y418 HydrophobicContact CG2-CD1 4.3Å; V239-Y418 HydrophobicContact CG2-CD2 4.39Å; V239-Y418 HydrophobicContact CG2-CG 4.18Å; Q240-Y418 HydrophobicContact CG-CE1 3.9Å; Q240-Y418 PolarHBondContact NE2-OH 3.14Å; Q240-Y418 VanDerWaalsContact NE2-OH 3.08Å; R414-Y418 WeakPolarHBondContact O-CB 3.47Å; R414-Y418 PolarHBondContact O-N 3.05Å; R415-Y418 PolarHBondContact O-N 3.09Å; R416-Y418 PolarHBondContact O-N 2.88Å; Y418-K422 HydrophobicContact CE1-CD 4.35Å; Y418-K422 WeakPolarHBondContact O-CB 3.43Å; Y418-K422 PolarHBondContact O-N 3.49Å
419L82.9Confident86.7Confident20 Ų2084.9 Ų84.911%0.10539%0.391CS..Hα-helixtrans-67.4-42.8179.3-75.6167.5000112.5N243 I246 R415 R416 A417 K422 L423N243-L419 HydrophobicContact CB-CD2 4.08Å; I246-L419 HydrophobicContact CB-CD1 4.2Å; I246-L419 HydrophobicContact CD1-CD1 3.59Å; I246-L419 HydrophobicContact CG1-CD1 4.47Å; I246-L419 HydrophobicContact CG2-CD1 4.09Å; R415-L419 WeakPolarHBondContact O-CG 3.34Å; R415-L419 PolarHBondContact O-N 3.08Å; R416-L419 PolarHBondContact O-N 2.87Å; A417-L419 PolarHBondContact O-N 2.88Å; L419-K422 PolarHBondContact O-N 2.94Å; L419-L423 WeakPolarHBondContact O-CB 3.45Å; L419-L423 PolarHBondContact O-N 3.48Å
420T83.4Confident86.3Confident63 Ų6384.2 Ų84.239%0.38739%0.388SS..Hα-helixtrans-59.1-48.3175.7-55.80000110.6R416 A417 K422 L423 E424R416-T420 PolarHBondContact O-N 3.4Å; R416-T420 PolarHBondContact O-OG1 3.39Å; A417-T420 PolarHBondContact O-N 3.18Å; T420-K422 VanDerWaalsContact C-N 3.35Å; T420-K422 PolarHBondContact O-N 3.46Å; T420-L423 PolarHBondContact O-N 2.9Å; T420-E424 WeakPolarHBondContact O-CG 3.48Å; T420-E424 PolarHBondContact O-N 2.83Å
421K87.4Confident86Confident129 Ų12984.6 Ų84.656%0.56139%0.388SS*.Hα-helixtrans-58.3-45.7176.6-174.5179.4178.5-179.30112.1A417 L423 E424 E425A417-K421 WeakPolarHBondContact O-CB 3.15Å; A417-K421 PolarHBondContact O-N 2.63Å; K421-L423 VanDerWaalsContact C-N 3.31Å; K421-L423 PolarHBondContact O-N 3.49Å; K421-E424 PolarHBondContact O-N 3.27Å; K421-E425 WeakPolarHBondContact CE-OE1 3.42Å; K421-E425 WeakPolarHBondContact O-CG 3.15Å; K421-E425 PolarHBondContact O-N 2.81Å
422K85.1Confident85.7Confident92 Ų9290.8 Ų90.840%0.441%0.414SS..Hα-helixtrans-63.5-36.2178.5-174.1171.8-177.3171.20112.5Y418 L419 T420 K426Y418-K422 HydrophobicContact CE1-CD 4.35Å; Y418-K422 WeakPolarHBondContact O-CB 3.43Å; Y418-K422 PolarHBondContact O-N 3.49Å; L419-K422 PolarHBondContact O-N 2.94Å; T420-K422 VanDerWaalsContact C-N 3.35Å; T420-K422 PolarHBondContact O-N 3.46Å; K422-K426 PolarHBondContact O-N 2.94Å
423L82.6Confident85.3Confident60 Ų6099.2 Ų99.231%0.31445%0.445SS..Hα-helixtrans-68.5-43176.8-174.165000111.3L419 T420 K421 E425 K426 Q427L419-L423 WeakPolarHBondContact O-CB 3.45Å; L419-L423 PolarHBondContact O-N 3.48Å; T420-L423 PolarHBondContact O-N 2.9Å; K421-L423 VanDerWaalsContact C-N 3.31Å; K421-L423 PolarHBondContact O-N 3.49Å; L423-E425 PolarHBondContact O-N 3.13Å; L423-K426 PolarHBondContact O-N 3.29Å; L423-Q427 WeakPolarHBondContact O-CG 3.3Å; L423-Q427 PolarHBondContact O-N 3.48Å
424E84.6Confident84.9Confident78 Ų7898.9 Ų98.936%0.36445%0.447SS..Hα-helixtrans-60.6-43175-70.6-179.2174.800112.3T420 K421 Q427 K428T420-E424 WeakPolarHBondContact O-CG 3.48Å; T420-E424 PolarHBondContact O-N 2.83Å; K421-E424 PolarHBondContact O-N 3.27Å; E424-Q427 PolarHBondContact O-N 3.27Å; E424-K428 WeakPolarHBondContact O-CG 3.3Å; E424-K428 PolarHBondContact O-N 2.95Å
425E87.3Confident84.4Confident101 Ų10194 Ų9447%0.47244%0.439SS..Hα-helixtrans-60.9-45.9174.8-73.8172.3-175.100111.5K421 L423 Q427 K428 M429K421-E425 WeakPolarHBondContact CE-OE1 3.42Å; K421-E425 WeakPolarHBondContact O-CG 3.15Å; K421-E425 PolarHBondContact O-N 2.81Å; L423-E425 PolarHBondContact O-N 3.13Å; E425-Q427 VanDerWaalsContact C-N 3.35Å; E425-Q427 PolarHBondContact O-N 2.97Å; E425-K428 PolarHBondContact O-N 2.8Å; E425-M429 VanDerWaalsContact O-CG 3.3Å; E425-M429 WeakPolarHBondContact O-CG 3.06Å; E425-M429 PolarHBondContact O-N 2.93Å
426K83.6Confident83.8Confident84 Ų84101.8 Ų101.837%0.36547%0.473SS..Hα-helixtrans-58.6-44.1174.6-83.3-171.6170.2-166.60112E251 K422 L423 M429 R430E251-K426 IonicContact OE1-NZ 2.73Å; K422-K426 PolarHBondContact O-N 2.94Å; L423-K426 PolarHBondContact O-N 3.29Å; K426-M429 PolarHBondContact O-N 2.97Å; K426-R430 WeakPolarHBondContact O-CG 3.37Å; K426-R430 PolarHBondContact O-N 2.83Å
427Q82.4Confident83.3Confident89 Ų8998.2 Ų98.242%0.41647%0.474SS..Hα-helixtrans-64.7-43.8178.6-74.6-179.9-12.900112.1L423 E424 E425 M429 R430 K431L423-Q427 WeakPolarHBondContact O-CG 3.3Å; L423-Q427 PolarHBondContact O-N 3.48Å; E424-Q427 PolarHBondContact O-N 3.27Å; E425-Q427 VanDerWaalsContact C-N 3.35Å; E425-Q427 PolarHBondContact O-N 2.97Å; Q427-M429 VanDerWaalsContact C-N 3.3Å; Q427-M429 PolarHBondContact O-N 3.18Å; Q427-R430 PolarHBondContact O-N 2.97Å; Q427-K431 WeakPolarHBondContact O-CG 3.31Å; Q427-K431 PolarHBondContact O-N 3.41Å
428K86.7Confident82.6Confident135 Ų135101.5 Ų101.559%0.58748%0.481SS*.Hα-helixtrans-58.6-43.3174.4-73.8173.2-178.3173.70111.2E424 E425 K431 K432E424-K428 WeakPolarHBondContact O-CG 3.3Å; E424-K428 PolarHBondContact O-N 2.95Å; E425-K428 PolarHBondContact O-N 2.8Å; K428-K431 PolarHBondContact O-N 3.49Å; K428-K432 WeakPolarHBondContact O-CG 3.41Å; K428-K432 PolarHBondContact O-N 3.13Å
429M85.3Confident81.4Confident104 Ų104105.2 Ų105.251%0.51251%0.506SS..Hα-helixtrans-66.8-38.8177.4-68.8-58.9-72.400112.7E425 K426 Q427 K432 R433E425-M429 VanDerWaalsContact O-CG 3.3Å; E425-M429 WeakPolarHBondContact O-CG 3.06Å; E425-M429 PolarHBondContact O-N 2.93Å; K426-M429 PolarHBondContact O-N 2.97Å; Q427-M429 VanDerWaalsContact C-N 3.3Å; Q427-M429 PolarHBondContact O-N 3.18Å; M429-K432 PolarHBondContact O-N 3.45Å; M429-R433 WeakPolarHBondContact O-CG 3.39Å; M429-R433 PolarHBondContact O-N 3.21Å; M429-R433 VanDerWaalsContact O-N 3.08Å
430R83.5Confident80Confident118 Ų118112.5 Ų112.545%0.44555%0.551SS.*Hα-helixtrans-61.6-49.4173.5-76.6-176.5179.2-176.41.2111.4E251 K426 Q427 K432 R433 T434E251-R430 IonicContact OE1-NH2 3.86Å; K426-R430 WeakPolarHBondContact O-CG 3.37Å; K426-R430 PolarHBondContact O-N 2.83Å; Q427-R430 PolarHBondContact O-N 2.97Å; R430-K432 VanDerWaalsContact C-N 3.31Å; R430-K432 PolarHBondContact O-N 2.82Å; R430-R433 WeakPolarHBondContact O-CB 3.43Å; R430-R433 PolarHBondContact O-N 3.48Å; R430-T434 PolarHBondContact O-N 3.3Å; R430-T434 PolarHBondContact O-OG1 3.06Å
431K83.9Confident79.8Confident155 Ų155115 Ų11567%0.67456%0.559SS**Hα-helixtrans-57.8-40.6177.2-72-176178.9-171.40112.8Q427 K428 T434 A435Q427-K431 WeakPolarHBondContact O-CG 3.31Å; Q427-K431 PolarHBondContact O-N 3.41Å; K428-K431 PolarHBondContact O-N 3.49Å; K431-T434 WeakPolarHBondContact CA-OG1 3.24Å; K431-T434 PolarHBondContact O-OG1 2.62Å; K431-A435 WeakPolarHBondContact O-CB 3.42Å; K431-A435 PolarHBondContact O-N 2.92Å
432K84.4Confident79.4Confident149 Ų149114.3 Ų114.365%0.64856%0.559SS**Hα-helixtrans-64.2-38.7174.8-74.8-178.6178.7-173.70112.5K428 M429 R430 K436K428-K432 WeakPolarHBondContact O-CG 3.41Å; K428-K432 PolarHBondContact O-N 3.13Å; M429-K432 PolarHBondContact O-N 3.45Å; R430-K432 VanDerWaalsContact C-N 3.31Å; R430-K432 PolarHBondContact O-N 2.82Å; K432-K436 WeakPolarHBondContact O-CB 3.14Å; K432-K436 PolarHBondContact O-N 2.99Å; K432-K436 VanDerWaalsContact O-N 3.09Å
433R81.4Confident79.1Confident189 Ų189115.5 Ų115.571%0.71357%0.568SS**Hα-helixtrans-68.9-43.7177.8-74.9179.3178.3-174.3-1.3112.2M429 R430 K436 A437M429-R433 WeakPolarHBondContact O-CG 3.39Å; M429-R433 PolarHBondContact O-N 3.21Å; M429-R433 VanDerWaalsContact O-N 3.08Å; R430-R433 WeakPolarHBondContact O-CB 3.43Å; R430-R433 PolarHBondContact O-N 3.48Å; R433-K436 PolarHBondContact O-N 3.12Å; R433-A437 WeakPolarHBondContact O-CB 3.41Å; R433-A437 PolarHBondContact O-N 3.24Å
434T80.4Confident78.9Confident84 Ų84118.8 Ų118.852%0.51558%0.583SS.*Hα-helixtrans-65.3-42175.330.60000112R430 K431 K436 A437 I438R430-T434 PolarHBondContact O-N 3.3Å; R430-T434 PolarHBondContact O-OG1 3.06Å; K431-T434 WeakPolarHBondContact CA-OG1 3.24Å; K431-T434 PolarHBondContact O-OG1 2.62Å; T434-K436 VanDerWaalsContact C-N 3.27Å; T434-K436 PolarHBondContact O-N 3.18Å; T434-A437 PolarHBondContact O-N 3.11Å; T434-A437 VanDerWaalsContact O-N 3.12Å; T434-I438 VanDerWaalsContact O-CG1 3.3Å; T434-I438 WeakPolarHBondContact O-CG1 3.36Å; T434-I438 PolarHBondContact O-N 2.87Å
435A79.4Confident78.5Confident51 Ų51121.3 Ų121.342%0.42160%0.597SS.*Hα-helixtrans-60.2-36.9174.500000112.7K431 N439K431-A435 WeakPolarHBondContact O-CB 3.42Å; K431-A435 PolarHBondContact O-N 2.92Å; A435-N439 PolarHBondContact O-N 3.38Å
436K76.1Confident77.9Confident165 Ų165122.7 Ų122.772%0.71761%0.605SS**Hα-helixtrans-72.5-29.2176.1-161.2176-176.3-177.60113K432 R433 T434 V440K432-K436 WeakPolarHBondContact O-CB 3.14Å; K432-K436 PolarHBondContact O-N 2.99Å; K432-K436 VanDerWaalsContact O-N 3.09Å; R433-K436 PolarHBondContact O-N 3.12Å; T434-K436 VanDerWaalsContact C-N 3.27Å; T434-K436 PolarHBondContact O-N 3.18Å; K436-V440 WeakPolarHBondContact O-CG2 3.42Å
437A73.6Confident77.5Confident68 Ų68125.4 Ų125.456%0.56262%0.622SS**Hα-helixtrans-81.2-20.6178.100000113.8R433 T434R433-A437 WeakPolarHBondContact O-CB 3.41Å; R433-A437 PolarHBondContact O-N 3.24Å; T434-A437 PolarHBondContact O-N 3.11Å; T434-A437 VanDerWaalsContact O-N 3.12Å
438I72.9Confident77.1Confident132 Ų132128.2 Ų128.268%0.67764%0.638SS**Hα-helixtrans-84.2-22.2174.9-65163.1000111.4T434T434-I438 VanDerWaalsContact O-CG1 3.3Å; T434-I438 WeakPolarHBondContact O-CG1 3.36Å; T434-I438 PolarHBondContact O-N 2.87Å
439N62.3Low76.3Confident143 Ų143127.7 Ų127.777%0.76564%0.642SS**  trans-94.413.2179.4-70.9-8000113.6A435A435-N439 PolarHBondContact O-N 3.38Å
440V52.6Low75.5Confident174 Ų174129.8 Ų129.8100%1.05565%0.654SS**  trans-119.80170176.80000106.3K436K436-V440 WeakPolarHBondContact O-CG2 3.42Å

Retrieved 440 of 440 residues in 155.6 ms (Link to these results)