A0A087WXH4_HUMAN Loading...

Clathrin heavy chain like 1

AlphaFold DB , UniProt , Accession A0A087WXH4, Species HUMAN (Homo sapiens, Human), Gene CLTCL1, Length 463 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
1M36Very low34.5Very low245 Ų245139.8 Ų139.8100%1.20779%0.79SS**  097.10-66.3171.7178.700105.3
2G33.2Very low34.4Very low67 Ų67138.2 Ų138.269%0.69177%0.77SS**  cis88.8118.642.900000108.4
3V29.2Very low34.6Very low156 Ų156136.1 Ų136.195%0.94576%0.755SS**  trans83.1124.5168.5-157.40000113.5
4G28Very low34.9Very low59 Ų59139.9 Ų139.961%0.60876%0.76SS**  cis162.1162.212.600000107.7
5D35.1Very low35.2Very low150 Ų150139.3 Ų139.380%0.80275%0.754SS**  trans66.297.8162.2-59.2-22.8000118.6
6R35.6Very low35.1Very low223 Ų223140.6 Ų140.684%0.84276%0.756SS**  -149.966.6128.5-102.8-173.9-90.5-155.5-2.8109.8F8R6-F8 HydrophobicContact CG-CD2 3.89Å; R6-F8 HydrophobicContact CG-CE2 4.15Å; R6-F8 PolarHBondContact O-N 3.24Å
7C36.1Very low35.5Very low132 Ų132142.3 Ų142.389%0.89275%0.749SS**  trans-68.674.4152.2-940000108.6S9C7-S9 VanDerWaalsContact C-N 3.33Å; C7-S9 PolarHBondContact O-N 3.28Å
8F34.3Very low36.3Very low152 Ų152137.7 Ų137.767%0.66773%0.731SS**  trans-86.389.1157.9-90.4-85.5000108R6 V10R6-F8 HydrophobicContact CG-CD2 3.89Å; R6-F8 HydrophobicContact CG-CE2 4.15Å; R6-F8 PolarHBondContact O-N 3.24Å; F8-V10 PolarHBondContact O-N 3.16Å
9S33Very low36.9Very low66 Ų66138.3 Ų138.346%0.46273%0.726SS.*  trans-5.9116.3156.6179.50000115.9C7 M11 Q12C7-S9 VanDerWaalsContact C-N 3.33Å; C7-S9 PolarHBondContact O-N 3.28Å; S9-M11 PolarHBondContact O-N 2.98Å; S9-M11 WeakPolarHBondContact OG-CB 3.36Å; S9-M11 PolarHBondContact OG-N 3.08Å; S9-Q12 PolarHBondContact O-N 3.31Å; S9-Q12 VanDerWaalsContact O-N 3.15Å
10V40.3Very low38Very low133 Ų133134.5 Ų134.581%0.80671%0.71SS**THydrogen-bonded Turntrans-54.9-6.8166.4178.10000112.8F8F8-V10 PolarHBondContact O-N 3.16Å
11M38.3Very low39.1Very low155 Ų155132 Ų13276%0.76469%0.694SS**THydrogen-bonded Turntrans-82.2-17.8176.8-118.7160.2-17500114.1S9S9-M11 PolarHBondContact O-N 2.98Å; S9-M11 WeakPolarHBondContact OG-CB 3.36Å; S9-M11 PolarHBondContact OG-N 3.08Å
12Q34.2Very low40.5Very low120 Ų120123.5 Ų123.556%0.56165%0.652SS**SBendtrans-86.2-16.8176.4-85.8-174.4-21.700114.3S9 K14 I15S9-Q12 PolarHBondContact O-N 3.31Å; S9-Q12 VanDerWaalsContact O-N 3.15Å; Q12-K14 VanDerWaalsContact C-N 3.31Å; Q12-K14 PolarHBondContact O-N 2.95Å; Q12-I15 PolarHBondContact O-N 3.41Å
13I36.7Very low42.4Very low111 Ų111126.5 Ų126.557%0.56965%0.648SS**THydrogen-bonded Turntrans-78.8-17.1177.9-65.2172.2000112I15I13-I15 VanDerWaalsContact C-N 3.29Å; I13-I15 PolarHBondContact O-N 3.18Å
14K38.5Very low44.5Very low190 Ų190122.5 Ų122.583%0.82662%0.624SS**THydrogen-bonded Turntrans-76.2-14173.5-108.5173.7176.7178.50114Q12Q12-K14 VanDerWaalsContact C-N 3.31Å; Q12-K14 PolarHBondContact O-N 2.95Å
15I39.3Very low46.7Very low130 Ų130119.7 Ų119.767%0.66760%0.595SS**THydrogen-bonded Turntrans-98.1-16.3-173.7-58.2177000112.1Q12 I13Q12-I15 PolarHBondContact O-N 3.41Å; I13-I15 VanDerWaalsContact C-N 3.29Å; I13-I15 PolarHBondContact O-N 3.18Å
16M34.2Very low48.8Very low161 Ų161115 Ų11579%0.79357%0.57SS**SBendtrans-1037-176.8-79.5-98.2-80.800114.9
17R42.4Very low50.7Low169 Ų169111.8 Ų111.864%0.63856%0.558SS**SBendtrans-105.2-9.5-178.3-85.5-172.6176.9-179.9-1115.8H21R17-H21 PolarHBondContact O-CD2 3.26Å
18S48.2Very low52.6Low59 Ų59106.4 Ų106.441%0.41352%0.521SS..Hα-helixtrans-76.4-49.3-178.8520000112.9H21 E22S18-H21 PolarHBondContact O-N 3.01Å; S18-E22 PolarHBondContact O-N 2.98Å
19K49.4Very low54.7Low150 Ų150101 Ų10165%0.65250%0.497SS*.Hα-helixtrans-61.5-47.6-172-68.8-172174.1-174.20116.4H21 E22 E23K19-H21 VanDerWaalsContact C-N 3.25Å; K19-H21 PolarHBondContact O-N 3.08Å; K19-E22 PolarHBondContact O-N 3.46Å; K19-E23 PolarHBondContact O-N 3.41Å; K19-E23 VanDerWaalsContact O-N 3.17Å
20P58.1Low57Low62 Ų62105.5 Ų105.540%0.40351%0.51SS..Hα-helixtrans-70.4-23-178.525.9-32.4000112.7V24P20-V24 WeakPolarHBondContact O-CB 3.28Å; P20-V24 WeakPolarHBondContact O-CG2 3.24Å; P20-V24 PolarHBondContact O-N 3.33Å
21H61.8Low59Low81 Ų81104.5 Ų104.538%0.37550%0.497SS..Hα-helixtrans-80.1-27.8175.7-65.8-43.8000112.5R17 S18 K19 G25 V44R17-H21 PolarHBondContact O-CD2 3.26Å; S18-H21 PolarHBondContact O-N 3.01Å; K19-H21 VanDerWaalsContact C-N 3.25Å; K19-H21 PolarHBondContact O-N 3.08Å; H21-G25 PolarHBondContact O-N 3.32Å; H21-V44 HydrophobicContact CB-CG2 3.52Å
22E64.4Low60.8Low67 Ų6798.9 Ų98.931%0.31348%0.478SS..Hα-helixtrans-67.5-48.7169.6-71.8179.2157.600111.3S18 K19 V24 G25 D26 V44S18-E22 PolarHBondContact O-N 2.98Å; K19-E22 PolarHBondContact O-N 3.46Å; E22-V24 VanDerWaalsContact C-N 3.35Å; E22-V24 PolarHBondContact O-N 3.43Å; E22-G25 CarbonylContact O-C 3.57Å; E22-G25 WeakPolarHBondContact O-CA 3.22Å; E22-G25 PolarHBondContact O-N 3.45Å; E22-G25 VanDerWaalsContact O-N 3.1Å; E22-D26 VanDerWaalsContact O-CG 3.32Å; E22-D26 PolarHBondContact O-N 3.19Å; E22-V44 HydrophobicContact CG-CG1 3.46Å; E22-V44 VanDerWaalsContact CG-CG1 3.46Å
23E73.7Confident63.1Low130 Ų13097.7 Ų97.761%0.60747%0.474SS*.Hα-helixtrans-63.6-38.6179.5-68.7171.8-17200112.5K19 R27K19-E23 PolarHBondContact O-N 3.41Å; K19-E23 VanDerWaalsContact O-N 3.17Å; E23-R27 WeakPolarHBondContact O-CG 3.33Å; E23-R27 PolarHBondContact O-N 2.83Å
24V72.4Confident65.1Low73 Ų7395.5 Ų95.544%0.44246%0.459SS..Hα-helixtrans-68.9-37.5173.71740000110.8P20 E22 C28 L40P20-V24 WeakPolarHBondContact O-CB 3.28Å; P20-V24 WeakPolarHBondContact O-CG2 3.24Å; P20-V24 PolarHBondContact O-N 3.33Å; E22-V24 VanDerWaalsContact C-N 3.35Å; E22-V24 PolarHBondContact O-N 3.43Å; V24-C28 WeakPolarHBondContact O-CB 3.17Å; V24-C28 PolarHBondContact O-N 3.17Å; V24-C28 PolarHBondContact O-SG 2.9Å; V24-L40 HydrophobicContact CG1-CD1 4.02Å
25G75.1Confident67Low0 Ų093.7 Ų93.70%045%0.454CS..Hα-helixtrans-61.8-46.2173.200000112.5H21 E22 R27 C28 Y29 Y41H21-G25 PolarHBondContact O-N 3.32Å; E22-G25 CarbonylContact O-C 3.57Å; E22-G25 WeakPolarHBondContact O-CA 3.22Å; E22-G25 PolarHBondContact O-N 3.45Å; E22-G25 VanDerWaalsContact O-N 3.1Å; G25-R27 PolarHBondContact O-N 3.35Å; G25-C28 PolarHBondContact O-N 3.18Å; G25-Y29 WeakPolarHBondContact O-CB 3.42Å; G25-Y29 PolarHBondContact O-N 3.33Å; G25-Y41 PolarHBondContact O-OH 3.27Å
26D78.1Confident68.7Low52 Ų5289.5 Ų89.528%0.27844%0.438SS..Hα-helixtrans-64-40.3179.3-70.4-13.1000111.4E22 Y29 E30 Y41E22-D26 VanDerWaalsContact O-CG 3.32Å; E22-D26 PolarHBondContact O-N 3.19Å; D26-Y29 WeakPolarHBondContact O-CB 3.41Å; D26-Y29 PolarHBondContact O-N 3.18Å; D26-E30 WeakPolarHBondContact O-CG 3.35Å; D26-E30 PolarHBondContact O-N 3.38Å; D26-Y41 VanDerWaalsContact CA-OH 3.28Å; D26-Y41 WeakPolarHBondContact CA-OH 3.38Å; D26-Y41 PolarHBondContact N-OH 3.44Å; D26-Y41 PolarHBondContact OD1-OH 3.25Å
27R77.3Confident70.7Confident155 Ų15581.9 Ų81.959%0.58540%0.401SS*.Hα-helixtrans-65-43172.6-74.5-17262-172.5-6.3113E23 G25 Y29 E30 E31E23-R27 WeakPolarHBondContact O-CG 3.33Å; E23-R27 PolarHBondContact O-N 2.83Å; G25-R27 PolarHBondContact O-N 3.35Å; R27-Y29 PolarHBondContact O-N 3.23Å; R27-E30 PolarHBondContact O-N 2.92Å; R27-E31 IonicContact NH2-OE1 3.53Å; R27-E31 PolarHBondContact NH2-OE1 3Å; R27-E31 WeakPolarHBondContact O-CB 3.36Å; R27-E31 WeakPolarHBondContact O-CG 3.25Å; R27-E31 PolarHBondContact O-N 3.28Å
28C75.8Confident72.5Confident18 Ų1876.7 Ų76.712%0.12238%0.383CS..Hα-helixtrans-63.8-32.4175.3-70.20000112.1V24 G25 G32 M33 A37V24-C28 WeakPolarHBondContact O-CB 3.17Å; V24-C28 PolarHBondContact O-N 3.17Å; V24-C28 PolarHBondContact O-SG 2.9Å; G25-C28 PolarHBondContact O-N 3.18Å; C28-G32 PolarHBondContact O-N 3.46Å; C28-M33 PolarHBondContact O-N 3.43Å; C28-A37 HydrophobicContact CB-CB 4.23Å
29Y78.6Confident74Confident39 Ų3979.3 Ų79.315%0.15339%0.392CS..Hα-helixtrans-66.1-47.8173.7-174-91.9000111.9G25 D26 R27 E31 G32 Y34 Y41 S52 T53 H56G25-Y29 WeakPolarHBondContact O-CB 3.42Å; G25-Y29 PolarHBondContact O-N 3.33Å; D26-Y29 WeakPolarHBondContact O-CB 3.41Å; D26-Y29 PolarHBondContact O-N 3.18Å; R27-Y29 PolarHBondContact O-N 3.23Å; Y29-E31 VanDerWaalsContact C-N 3.29Å; Y29-E31 PolarHBondContact O-N 3.29Å; Y29-G32 PolarHBondContact O-N 3.44Å; Y29-G32 VanDerWaalsContact O-N 3.16Å; Y29-Y34 HydrophobicContact CD2-CD1 4.17Å; Y29-Y34 HydrophobicContact CD2-CE1 4.04Å; Y29-Y34 HydrophobicContact CE2-CD1 4.21Å; Y29-Y34 AromaticContact CE2-CE1 3.91Å; Y29-Y34 HydrophobicContact CE2-CE1 3.91Å; Y29-Y41 HydrophobicContact CD2-CE2 4.49Å; Y29-S52 PolarHBondContact OH-OG 3.23Å; Y29-T53 HydrophobicContact CD2-CG2 3.39Å; Y29-T53 HydrophobicContact CE2-CG2 3.74Å; Y29-H56 AromaticContact CZ-CD2 3.91Å; Y29-H56 PolarHBondContact OH-CD2 2.92Å; Y29-H56 PolarHBondContact OH-NE2 3.17Å
30E80.2Confident75.3Confident161 Ų16174.2 Ų74.275%0.75237%0.371SS*.Hα-helixtrans-64.1-33.9177.9-72.2175-179.700112.5D26 R27 G32D26-E30 WeakPolarHBondContact O-CG 3.35Å; D26-E30 PolarHBondContact O-N 3.38Å; R27-E30 PolarHBondContact O-N 2.92Å; E30-G32 VanDerWaalsContact C-N 3.27Å; E30-G32 PolarHBondContact O-N 3.27Å
31E82Confident76.3Confident112 Ų11271.3 Ų71.352%0.52335%0.352SS..THydrogen-bonded Turntrans-81.30.6177-68.4175.5-170.200113.3R27 Y29 M33R27-E31 IonicContact NH2-OE1 3.53Å; R27-E31 PolarHBondContact NH2-OE1 3Å; R27-E31 WeakPolarHBondContact O-CB 3.36Å; R27-E31 WeakPolarHBondContact O-CG 3.25Å; R27-E31 PolarHBondContact O-N 3.28Å; Y29-E31 VanDerWaalsContact C-N 3.29Å; Y29-E31 PolarHBondContact O-N 3.29Å; E31-M33 VanDerWaalsContact C-N 3.33Å; E31-M33 HydrophobicContact CB-CE 4.45Å; E31-M33 PolarHBondContact O-N 2.9Å; E31-M33 WeakPolarHBondContact OE2-CE 3.46Å
32G77.1Confident77.2Confident36 Ų3670.2 Ų70.237%0.37135%0.354SS..THydrogen-bonded Turntrans76.511176.600000115.4C28 Y29 E30 Y34C28-G32 PolarHBondContact O-N 3.46Å; Y29-G32 PolarHBondContact O-N 3.44Å; Y29-G32 VanDerWaalsContact O-N 3.16Å; E30-G32 VanDerWaalsContact C-N 3.27Å; E30-G32 PolarHBondContact O-N 3.27Å; G32-Y34 VanDerWaalsContact C-N 3.29Å; G32-Y34 VanDerWaalsContact O-CD2 3.25Å; G32-Y34 WeakPolarHBondContact O-CD2 3.37Å; G32-Y34 PolarHBondContact O-N 3.48Å
33M82.9Confident77.9Confident95 Ų9573.5 Ų73.547%0.46837%0.374SS..  trans-84.966.7177.7-70.1-165.3-77.500111.6C28 E31 E35 A36 A37C28-M33 PolarHBondContact O-N 3.43Å; E31-M33 VanDerWaalsContact C-N 3.33Å; E31-M33 HydrophobicContact CB-CE 4.45Å; E31-M33 PolarHBondContact O-N 2.9Å; E31-M33 WeakPolarHBondContact OE2-CE 3.46Å; M33-E35 PolarHBondContact O-N 3.36Å; M33-A36 HydrophobicContact CB-CB 4.44Å; M33-A36 PolarHBondContact O-N 3.25Å; M33-A37 PolarHBondContact O-N 3.33Å; M33-A37 VanDerWaalsContact O-N 3.07Å
34Y78.5Confident78Confident65 Ų6568.4 Ų68.426%0.25535%0.351SS..Hα-helixtrans-65.5-31.5-170.8-57.8-66.1000114.6Y29 G32 A37 K38 T53 H56Y29-Y34 HydrophobicContact CD2-CD1 4.17Å; Y29-Y34 HydrophobicContact CD2-CE1 4.04Å; Y29-Y34 HydrophobicContact CE2-CD1 4.21Å; Y29-Y34 AromaticContact CE2-CE1 3.91Å; Y29-Y34 HydrophobicContact CE2-CE1 3.91Å; G32-Y34 VanDerWaalsContact C-N 3.29Å; G32-Y34 VanDerWaalsContact O-CD2 3.25Å; G32-Y34 WeakPolarHBondContact O-CD2 3.37Å; G32-Y34 PolarHBondContact O-N 3.48Å; Y34-A37 PolarHBondContact O-N 2.93Å; Y34-K38 WeakPolarHBondContact O-CB 3.24Å; Y34-K38 PolarHBondContact O-N 3.04Å; Y34-T53 HydrophobicContact CD1-CG2 4.38Å; Y34-H56 HydrophobicContact CD1-CB 3.83Å; Y34-H56 HydrophobicContact CD2-CB 3.92Å; Y34-H56 HydrophobicContact CE1-CB 3.78Å; Y34-H56 AromaticContact CE1-CD2 3.75Å; Y34-H56 AromaticContact CE1-CG 3.81Å; Y34-H56 HydrophobicContact CE2-CB 3.86Å; Y34-H56 HydrophobicContact CG-CB 3.91Å; Y34-H56 AromaticContact CZ-CG 3.77Å
35E77.1Confident78.2Confident153 Ų15368.6 Ų68.672%0.71536%0.356SS*.Hα-helixtrans-66.6-41.5177.4-65.4-176.2171.100112.5M33 L39 L57M33-E35 PolarHBondContact O-N 3.36Å; E35-L39 PolarHBondContact O-N 2.85Å; E35-L57 HydrophobicContact CG-CD2 3.82Å
36A75.9Confident78.4Confident42 Ų4270.5 Ų70.535%0.34737%0.366SS..Hα-helixtrans-69.1-41.9175.900000110.7M33 K38 L39 L40M33-A36 HydrophobicContact CB-CB 4.44Å; M33-A36 PolarHBondContact O-N 3.25Å; A36-K38 VanDerWaalsContact C-N 3.32Å; A36-K38 PolarHBondContact O-N 3.45Å; A36-L39 PolarHBondContact O-N 2.87Å; A36-L40 WeakPolarHBondContact O-CG 3.35Å; A36-L40 PolarHBondContact O-N 2.98Å; A36-L40 VanDerWaalsContact O-N 3.12Å
37A76.2Confident78.4Confident0 Ų071.1 Ų71.10%037%0.366CS..Hα-helixtrans-61.7-38176.600000112.2C28 M33 Y34 L39 L40 Y41 T53C28-A37 HydrophobicContact CB-CB 4.23Å; M33-A37 PolarHBondContact O-N 3.33Å; M33-A37 VanDerWaalsContact O-N 3.07Å; Y34-A37 PolarHBondContact O-N 2.93Å; A37-L39 PolarHBondContact O-N 3.36Å; A37-L40 PolarHBondContact O-N 3.25Å; A37-Y41 HydrophobicContact CB-CD2 4.17Å; A37-Y41 HydrophobicContact CB-CE2 3.98Å; A37-Y41 WeakPolarHBondContact O-CB 3.44Å; A37-Y41 WeakPolarHBondContact O-CD2 3.3Å; A37-Y41 PolarHBondContact O-N 3.42Å; A37-T53 HydrophobicContact CB-CG2 3.64Å
38K80Confident78.4Confident61 Ų6165.2 Ų65.227%0.26535%0.35SS..Hα-helixtrans-56.9-47.8174.3174.7-179174.3171.60112.2Y34 A36 S42 L50 L54 L57 E59Y34-K38 WeakPolarHBondContact O-CB 3.24Å; Y34-K38 PolarHBondContact O-N 3.04Å; A36-K38 VanDerWaalsContact C-N 3.32Å; A36-K38 PolarHBondContact O-N 3.45Å; K38-S42 VanDerWaalsContact O-CB 3.28Å; K38-S42 WeakPolarHBondContact O-CB 3.19Å; K38-S42 PolarHBondContact O-N 3.17Å; K38-S42 PolarHBondContact O-OG 3.39Å; K38-L50 HydrophobicContact CB-CD1 4.42Å; K38-L50 HydrophobicContact CG-CD1 4.11Å; K38-L50 WeakPolarHBondContact O-CD1 3.33Å; K38-L54 HydrophobicContact CD-CD2 3.59Å; K38-L54 HydrophobicContact CG-CD2 3.98Å; K38-L57 HydrophobicContact CB-CD1 4.23Å; K38-L57 HydrophobicContact CD-CD1 4Å; K38-E59 IonicContact NZ-OE1 3.68Å; K38-E59 PolarHBondContact NZ-OE1 3.26Å; K38-E59 IonicContact NZ-OE2 3.37Å; K38-E59 PolarHBondContact NZ-OE2 3.45Å
39L79.4Confident78.5Confident114 Ų11468.5 Ų68.560%0.59736%0.36SS*.Hα-helixtrans-64.6-43.2178.9-69175000111.3E35 A36 A37 S42 N43E35-L39 PolarHBondContact O-N 2.85Å; A36-L39 PolarHBondContact O-N 2.87Å; A37-L39 PolarHBondContact O-N 3.36Å; L39-S42 PolarHBondContact O-OG 3.4Å; L39-N43 PolarHBondContact O-N 3.27Å; L39-N43 PolarHBondContact O-ND2 3.24Å
40L77Confident78.5Confident43 Ų4367 Ų6723%0.22536%0.355CS..Hα-helixtrans-64-50.7178.8-67.7172.8000111.8V24 A36 A37 S42 N43 V44V24-L40 HydrophobicContact CG1-CD1 4.02Å; A36-L40 WeakPolarHBondContact O-CG 3.35Å; A36-L40 PolarHBondContact O-N 2.98Å; A36-L40 VanDerWaalsContact O-N 3.12Å; A37-L40 PolarHBondContact O-N 3.25Å; L40-S42 VanDerWaalsContact C-N 3.33Å; L40-S42 PolarHBondContact O-N 3.32Å; L40-N43 PolarHBondContact O-N 3.14Å; L40-V44 WeakPolarHBondContact O-CB 3.49Å; L40-V44 VanDerWaalsContact O-CG2 3.26Å; L40-V44 WeakPolarHBondContact O-CG2 3.38Å; L40-V44 PolarHBondContact O-N 2.95Å
41Y79.3Confident78.4Confident0 Ų059.3 Ų59.30%032%0.319CS..Hα-helixtrans-68.4-29.6-179.7-67-50.1000113.4G25 D26 Y29 A37 N43 V44 S45 N46 R49 T53G25-Y41 PolarHBondContact O-OH 3.27Å; D26-Y41 VanDerWaalsContact CA-OH 3.28Å; D26-Y41 WeakPolarHBondContact CA-OH 3.38Å; D26-Y41 PolarHBondContact N-OH 3.44Å; D26-Y41 PolarHBondContact OD1-OH 3.25Å; Y29-Y41 HydrophobicContact CD2-CE2 4.49Å; A37-Y41 HydrophobicContact CB-CD2 4.17Å; A37-Y41 HydrophobicContact CB-CE2 3.98Å; A37-Y41 WeakPolarHBondContact O-CB 3.44Å; A37-Y41 WeakPolarHBondContact O-CD2 3.3Å; A37-Y41 PolarHBondContact O-N 3.42Å; Y41-N43 VanDerWaalsContact C-N 3.34Å; Y41-V44 PolarHBondContact O-N 3.49Å; Y41-S45 PolarHBondContact O-N 2.98Å; Y41-N46 HydrophobicContact CD1-CB 4.26Å; Y41-N46 PolarHBondContact O-N 3.21Å; Y41-R49 HydrophobicContact CD1-CB 3.94Å; Y41-R49 HydrophobicContact CD2-CB 4Å; Y41-R49 HydrophobicContact CE1-CB 3.65Å; Y41-R49 HydrophobicContact CE1-CG 4.16Å; Y41-R49 HydrophobicContact CE2-CB 3.72Å; Y41-R49 HydrophobicContact CG-CB 4.11Å; Y41-T53 HydrophobicContact CD2-CG2 3.72Å; Y41-T53 HydrophobicContact CE2-CG2 3.65Å
42S79.9Confident78.3Confident59 Ų5954.5 Ų54.541%0.41330%0.298SS..Hα-helixtrans-64.3-38.9172.977.30000112.4K38 L39 L40K38-S42 VanDerWaalsContact O-CB 3.28Å; K38-S42 WeakPolarHBondContact O-CB 3.19Å; K38-S42 PolarHBondContact O-N 3.17Å; K38-S42 PolarHBondContact O-OG 3.39Å; L39-S42 PolarHBondContact O-OG 3.4Å; L40-S42 VanDerWaalsContact C-N 3.33Å; L40-S42 PolarHBondContact O-N 3.32Å
43N78.6Confident78.4Confident136 Ų13652.8 Ų52.873%0.72728%0.28SS*.Hα-helixtrans-75.5-30.7178.9-72.4-36.4000112.5L39 L40 Y41L39-N43 PolarHBondContact O-N 3.27Å; L39-N43 PolarHBondContact O-ND2 3.24Å; L40-N43 PolarHBondContact O-N 3.14Å; Y41-N43 VanDerWaalsContact C-N 3.34Å
44V77.6Confident78.3Confident23 Ų2348.4 Ų48.414%0.13926%0.259CS..Hα-helixtrans-84.9-10.2179.8175.50000112.2H21 E22 L40 Y41 N46H21-V44 HydrophobicContact CB-CG2 3.52Å; E22-V44 HydrophobicContact CG-CG1 3.46Å; E22-V44 VanDerWaalsContact CG-CG1 3.46Å; L40-V44 WeakPolarHBondContact O-CB 3.49Å; L40-V44 VanDerWaalsContact O-CG2 3.26Å; L40-V44 WeakPolarHBondContact O-CG2 3.38Å; L40-V44 PolarHBondContact O-N 2.95Å; Y41-V44 PolarHBondContact O-N 3.49Å; V44-N46 HydrophobicContact CG1-CB 4.31Å; V44-N46 PolarHBondContact O-N 3.37Å
45S75.2Confident78.3Confident76 Ų7645.9 Ų45.953%0.53125%0.25SC..THydrogen-bonded Turntrans59.821.7-176.166.60000114.9Y41 F47Y41-S45 PolarHBondContact O-N 2.98Å; S45-F47 VanDerWaalsContact C-N 3.33Å; S45-F47 WeakPolarHBondContact O-CD2 3.24Å; S45-F47 WeakPolarHBondContact O-CE2 3.44Å; S45-F47 PolarHBondContact O-N 3.29Å
46N79.2Confident78.4Confident41 Ų4143.4 Ų43.422%0.21924%0.238CC..  trans-81.881.7172.1-170.1-23.5000109.7Y41 V44 A48 R49 L50Y41-N46 HydrophobicContact CD1-CB 4.26Å; Y41-N46 PolarHBondContact O-N 3.21Å; V44-N46 HydrophobicContact CG1-CB 4.31Å; V44-N46 PolarHBondContact O-N 3.37Å; N46-A48 PolarHBondContact O-N 3.32Å; N46-A48 PolarHBondContact OD1-N 3.33Å; N46-R49 PolarHBondContact OD1-N 3.26Å; N46-L50 VanDerWaalsContact O-CB 3.29Å; N46-L50 WeakPolarHBondContact O-CB 3.39Å; N46-L50 PolarHBondContact O-N 2.86Å
47F78.1Confident78.7Confident64 Ų6444 Ų4428%0.28124%0.235SC..Hα-helixtrans-65.2-23.6-175.4-59.9-67000113.6S45 L50 A51 K69 A70S45-F47 VanDerWaalsContact C-N 3.33Å; S45-F47 WeakPolarHBondContact O-CD2 3.24Å; S45-F47 WeakPolarHBondContact O-CE2 3.44Å; S45-F47 PolarHBondContact O-N 3.29Å; F47-L50 HydrophobicContact CD1-CD2 4.25Å; F47-A51 WeakPolarHBondContact O-CB 3.48Å; F47-A51 PolarHBondContact O-N 3.45Å; F47-K69 HydrophobicContact CB-CB 4.41Å; F47-K69 HydrophobicContact CD1-CB 4.25Å; F47-K69 HydrophobicContact CD1-CD 4.17Å; F47-K69 HydrophobicContact CD2-CB 4.09Å; F47-K69 HydrophobicContact CE1-CD 4.01Å; F47-K69 HydrophobicContact CE2-CB 4.46Å; F47-K69 HydrophobicContact CG-CB 3.98Å; F47-K69 HydrophobicContact CZ-CD 4.38Å; F47-A70 HydrophobicContact CB-CB 3.86Å
48A77.1Confident78.8Confident31 Ų3145.9 Ų45.926%0.25626%0.255SS..Hα-helixtrans-67.7-54.417900000112.1N46 L50 A51 S52 T75N46-A48 PolarHBondContact O-N 3.32Å; N46-A48 PolarHBondContact OD1-N 3.33Å; A48-L50 VanDerWaalsContact C-N 3.34Å; A48-A51 PolarHBondContact O-N 3.29Å; A48-S52 PolarHBondContact O-N 2.99Å; A48-T75 VanDerWaalsContact CA-CG2 3.48Å; A48-T75 HydrophobicContact CB-CG2 3.29Å
49R77.8Confident79Confident87 Ų8746.8 Ų46.833%0.32826%0.26SS..Hα-helixtrans-70.3-32.4176.1-68.9-63.1-166.4-179.54.9112.2Y41 N46 S52 T53Y41-R49 HydrophobicContact CD1-CB 3.94Å; Y41-R49 HydrophobicContact CD2-CB 4Å; Y41-R49 HydrophobicContact CE1-CB 3.65Å; Y41-R49 HydrophobicContact CE1-CG 4.16Å; Y41-R49 HydrophobicContact CE2-CB 3.72Å; Y41-R49 HydrophobicContact CG-CB 4.11Å; N46-R49 PolarHBondContact OD1-N 3.26Å; R49-S52 WeakPolarHBondContact O-CB 3.46Å; R49-S52 PolarHBondContact O-N 3.1Å; R49-T53 PolarHBondContact O-N 3.24Å; R49-T53 PolarHBondContact O-OG1 3.37Å
50L79.6Confident79.1Confident8 Ų843.5 Ų43.54%0.04224%0.24CC..Hα-helixtrans-60.4-46.6173.2-175.563.5000111.9K38 N46 F47 A48 S52 T53 L54K38-L50 HydrophobicContact CB-CD1 4.42Å; K38-L50 HydrophobicContact CG-CD1 4.11Å; K38-L50 WeakPolarHBondContact O-CD1 3.33Å; N46-L50 VanDerWaalsContact O-CB 3.29Å; N46-L50 WeakPolarHBondContact O-CB 3.39Å; N46-L50 PolarHBondContact O-N 2.86Å; F47-L50 HydrophobicContact CD1-CD2 4.25Å; A48-L50 VanDerWaalsContact C-N 3.34Å; L50-S52 VanDerWaalsContact C-N 3.3Å; L50-S52 PolarHBondContact O-N 2.88Å; L50-T53 WeakPolarHBondContact CA-OG1 3.04Å; L50-T53 PolarHBondContact O-N 3.47Å; L50-T53 PolarHBondContact O-OG1 3.49Å; L50-L54 HydrophobicContact CD1-CD1 4.24Å; L50-L54 HydrophobicContact CD1-CG 4.37Å; L50-L54 HydrophobicContact CG-CD1 3.88Å; L50-L54 HydrophobicContact CG-CG 4.44Å; L50-L54 WeakPolarHBondContact O-CB 3.49Å; L50-L54 VanDerWaalsContact O-CG 3.24Å; L50-L54 WeakPolarHBondContact O-CG 3.27Å; L50-L54 PolarHBondContact O-N 2.99Å
51A78.5Confident79.4Confident0 Ų047.8 Ų47.80%026%0.259CS..Hα-helixtrans-59.8-43.1176.800000111.3F47 A48 T53 L54 V55 N66 V79F47-A51 WeakPolarHBondContact O-CB 3.48Å; F47-A51 PolarHBondContact O-N 3.45Å; A48-A51 PolarHBondContact O-N 3.29Å; A51-T53 PolarHBondContact O-N 3.07Å; A51-L54 PolarHBondContact O-N 3.36Å; A51-V55 VanDerWaalsContact O-CG2 3.25Å; A51-V55 WeakPolarHBondContact O-CG2 3.49Å; A51-V55 PolarHBondContact O-N 3.42Å; A51-N66 HydrophobicContact CB-CB 4.3Å; A51-V79 HydrophobicContact CB-CG2 3.85Å
52S79.5Confident79.6Confident10 Ų1049.2 Ų49.27%0.0727%0.271CS..Hα-helixtrans-60.8-42.9175.2-151.20000112.5Y29 A48 R49 L50 V55 H56 E78Y29-S52 PolarHBondContact OH-OG 3.23Å; A48-S52 PolarHBondContact O-N 2.99Å; R49-S52 WeakPolarHBondContact O-CB 3.46Å; R49-S52 PolarHBondContact O-N 3.1Å; L50-S52 VanDerWaalsContact C-N 3.3Å; L50-S52 PolarHBondContact O-N 2.88Å; S52-V55 WeakPolarHBondContact O-CB 3.31Å; S52-H56 PolarHBondContact O-CD2 3.15Å; S52-H56 PolarHBondContact O-N 3.49Å; S52-E78 PolarHBondContact OG-OE2 3.36Å
53T79.3Confident79.7Confident0 Ų046.4 Ų46.40%025%0.251CS..Hα-helixtrans-64.3-41.3173.949.10000113.8Y29 Y34 A37 Y41 R49 L50 A51 V55 H56 L57Y29-T53 HydrophobicContact CD2-CG2 3.39Å; Y29-T53 HydrophobicContact CE2-CG2 3.74Å; Y34-T53 HydrophobicContact CD1-CG2 4.38Å; A37-T53 HydrophobicContact CB-CG2 3.64Å; Y41-T53 HydrophobicContact CD2-CG2 3.72Å; Y41-T53 HydrophobicContact CE2-CG2 3.65Å; R49-T53 PolarHBondContact O-N 3.24Å; R49-T53 PolarHBondContact O-OG1 3.37Å; L50-T53 WeakPolarHBondContact CA-OG1 3.04Å; L50-T53 PolarHBondContact O-N 3.47Å; L50-T53 PolarHBondContact O-OG1 3.49Å; A51-T53 PolarHBondContact O-N 3.07Å; T53-V55 VanDerWaalsContact C-N 3.29Å; T53-V55 PolarHBondContact O-N 2.82Å; T53-H56 PolarHBondContact O-N 3.45Å; T53-L57 WeakPolarHBondContact O-CG 3.49Å; T53-L57 PolarHBondContact O-N 3.35Å
54L79.9Confident80Confident4 Ų440.3 Ų40.32%0.02122%0.219CC..Hα-helixtrans-68.9-33.1-176.5-73.4168.2000111.9K38 L50 A51 L57 G58 E59 A62 A63 N66K38-L54 HydrophobicContact CD-CD2 3.59Å; K38-L54 HydrophobicContact CG-CD2 3.98Å; L50-L54 HydrophobicContact CD1-CD1 4.24Å; L50-L54 HydrophobicContact CD1-CG 4.37Å; L50-L54 HydrophobicContact CG-CD1 3.88Å; L50-L54 HydrophobicContact CG-CG 4.44Å; L50-L54 WeakPolarHBondContact O-CB 3.49Å; L50-L54 VanDerWaalsContact O-CG 3.24Å; L50-L54 WeakPolarHBondContact O-CG 3.27Å; L50-L54 PolarHBondContact O-N 2.99Å; A51-L54 PolarHBondContact O-N 3.36Å; L54-L57 PolarHBondContact O-N 2.78Å; L54-G58 PolarHBondContact O-N 2.64Å; L54-E59 HydrophobicContact CD2-CB 4.31Å; L54-E59 WeakPolarHBondContact CD2-OE2 3.33Å; L54-E59 PolarHBondContact O-N 2.94Å; L54-A62 HydrophobicContact CD1-CB 4.04Å; L54-A62 HydrophobicContact CD2-CB 4.39Å; L54-A63 HydrophobicContact CB-CB 3.97Å; L54-N66 WeakPolarHBondContact CD1-ND2 3.19Å
55V80.1Confident80.3Confident11 Ų1143.2 Ų43.27%0.06723%0.233CC..Hα-helixtrans-59.1-47.7170.7159.90000111.4A51 S52 T53 L57 G58 A63 V79 A82A51-V55 VanDerWaalsContact O-CG2 3.25Å; A51-V55 WeakPolarHBondContact O-CG2 3.49Å; A51-V55 PolarHBondContact O-N 3.42Å; S52-V55 WeakPolarHBondContact O-CB 3.31Å; T53-V55 VanDerWaalsContact C-N 3.29Å; T53-V55 PolarHBondContact O-N 2.82Å; V55-L57 PolarHBondContact O-N 3.17Å; V55-G58 PolarHBondContact O-N 3.02Å; V55-A63 HydrophobicContact CG2-CB 3.74Å; V55-V79 HydrophobicContact CG2-CB 4.06Å; V55-V79 HydrophobicContact CG2-CG1 3.94Å; V55-V79 HydrophobicContact CG2-CG2 3.71Å; V55-A82 HydrophobicContact CB-CB 4.33Å; V55-A82 HydrophobicContact CG1-CB 2.98Å; V55-A82 HydrophobicContact CG2-CB 4.49Å
56H78.4Confident80.6Confident101 Ų10140.4 Ų40.447%0.46821%0.213SC..Hα-helixtrans-67.1-22.3177.8-74.8-65.1000113.3Y29 Y34 S52 T53 G58Y29-H56 AromaticContact CZ-CD2 3.91Å; Y29-H56 PolarHBondContact OH-CD2 2.92Å; Y29-H56 PolarHBondContact OH-NE2 3.17Å; Y34-H56 HydrophobicContact CD1-CB 3.83Å; Y34-H56 HydrophobicContact CD2-CB 3.92Å; Y34-H56 HydrophobicContact CE1-CB 3.78Å; Y34-H56 AromaticContact CE1-CD2 3.75Å; Y34-H56 AromaticContact CE1-CG 3.81Å; Y34-H56 HydrophobicContact CE2-CB 3.86Å; Y34-H56 HydrophobicContact CG-CB 3.91Å; Y34-H56 AromaticContact CZ-CG 3.77Å; S52-H56 PolarHBondContact O-CD2 3.15Å; S52-H56 PolarHBondContact O-N 3.49Å; T53-H56 PolarHBondContact O-N 3.45Å; H56-G58 VanDerWaalsContact C-N 3.34Å
57L81.3Confident80.8Confident54 Ų5438.5 Ų38.528%0.28320%0.202SC..THydrogen-bonded Turntrans-84.8-2.8173.4-69.6167.8000113.6E35 K38 T53 L54 V55 E59E35-L57 HydrophobicContact CG-CD2 3.82Å; K38-L57 HydrophobicContact CB-CD1 4.23Å; K38-L57 HydrophobicContact CD-CD1 4Å; T53-L57 WeakPolarHBondContact O-CG 3.49Å; T53-L57 PolarHBondContact O-N 3.35Å; L54-L57 PolarHBondContact O-N 2.78Å; V55-L57 PolarHBondContact O-N 3.17Å; L57-E59 PolarHBondContact O-N 3.45Å
58G78.4Confident81.1Confident41 Ų4142.1 Ų42.142%0.42321%0.214SC..THydrogen-bonded Turntrans73.79-17700000114.6L54 V55 H56 Y60L54-G58 PolarHBondContact O-N 2.64Å; V55-G58 PolarHBondContact O-N 3.02Å; H56-G58 VanDerWaalsContact C-N 3.34Å; G58-Y60 VanDerWaalsContact C-N 3.35Å; G58-Y60 WeakPolarHBondContact O-CD2 2.94Å; G58-Y60 PolarHBondContact O-N 3.45Å; G58-Y60 VanDerWaalsContact O-N 3.15Å
59E84.9Confident81.3Confident80 Ų8046.9 Ų46.937%0.37423%0.229SC..  trans-88.567.4178.6-68.9-174.7-165.200111.4K38 L54 L57 Q61 A62 A63K38-E59 IonicContact NZ-OE1 3.68Å; K38-E59 PolarHBondContact NZ-OE1 3.26Å; K38-E59 IonicContact NZ-OE2 3.37Å; K38-E59 PolarHBondContact NZ-OE2 3.45Å; L54-E59 HydrophobicContact CD2-CB 4.31Å; L54-E59 WeakPolarHBondContact CD2-OE2 3.33Å; L54-E59 PolarHBondContact O-N 2.94Å; L57-E59 PolarHBondContact O-N 3.45Å; E59-Q61 PolarHBondContact O-N 2.89Å; E59-A62 HydrophobicContact CB-CB 4.4Å; E59-A62 PolarHBondContact O-N 3.22Å; E59-A63 PolarHBondContact O-N 3.37Å
60Y81.1Confident81.4Confident45 Ų4543.9 Ų43.918%0.17622%0.223CC..Hα-helixtrans-63.7-35.5-171.6-60.1-69.5000114.6G58 A63 V64 C83 E88G58-Y60 VanDerWaalsContact C-N 3.35Å; G58-Y60 WeakPolarHBondContact O-CD2 2.94Å; G58-Y60 PolarHBondContact O-N 3.45Å; G58-Y60 VanDerWaalsContact O-N 3.15Å; Y60-A63 WeakPolarHBondContact O-CB 3.43Å; Y60-A63 PolarHBondContact O-N 2.84Å; Y60-V64 VanDerWaalsContact O-CG2 3.24Å; Y60-V64 WeakPolarHBondContact O-CG2 3.31Å; Y60-V64 PolarHBondContact O-N 2.65Å; Y60-C83 HydrophobicContact CD1-CB 4.46Å; Y60-C83 WeakPolarHBondContact CD1-SG 3.45Å; Y60-E88 HydrophobicContact CD2-CB 4.34Å; Y60-E88 HydrophobicContact CD2-CG 3.77Å; Y60-E88 HydrophobicContact CE2-CG 3.91Å
61Q83.6Confident81.4Confident133 Ų13348.3 Ų48.362%0.62125%0.254SS*.Hα-helixtrans-60.6-48.5177-71.7178.88.200111.8E59 A63 V64 D65 F91E59-Q61 PolarHBondContact O-N 2.89Å; Q61-A63 VanDerWaalsContact C-N 3.29Å; Q61-A63 PolarHBondContact O-N 3.48Å; Q61-V64 PolarHBondContact O-N 3.11Å; Q61-D65 PolarHBondContact O-N 3.03Å; Q61-F91 HydrophobicContact CG-CE1 3.62Å; Q61-F91 HydrophobicContact CG-CE2 4.02Å; Q61-F91 HydrophobicContact CG-CZ 3.29Å
62A83.3Confident81.7Confident30 Ų3050.5 Ų50.525%0.24827%0.27CS..Hα-helixtrans-67.2-33.5178.400000111.5L54 E59 N66L54-A62 HydrophobicContact CD1-CB 4.04Å; L54-A62 HydrophobicContact CD2-CB 4.39Å; E59-A62 HydrophobicContact CB-CB 4.4Å; E59-A62 PolarHBondContact O-N 3.22Å; A62-N66 WeakPolarHBondContact O-CB 3.48Å; A62-N66 PolarHBondContact O-N 2.94Å; A62-N66 VanDerWaalsContact O-N 3.17Å; A62-N66 PolarHBondContact O-ND2 2.83Å
63A82.9Confident81.9Confident0 Ų052.2 Ų52.20%028%0.28CS..Hα-helixtrans-62.2-48174.800000111.9L54 V55 E59 Y60 Q61 D65 N66 S67 V79L54-A63 HydrophobicContact CB-CB 3.97Å; V55-A63 HydrophobicContact CG2-CB 3.74Å; E59-A63 PolarHBondContact O-N 3.37Å; Y60-A63 WeakPolarHBondContact O-CB 3.43Å; Y60-A63 PolarHBondContact O-N 2.84Å; Q61-A63 VanDerWaalsContact C-N 3.29Å; Q61-A63 PolarHBondContact O-N 3.48Å; A63-D65 PolarHBondContact O-N 2.82Å; A63-N66 PolarHBondContact O-N 2.83Å; A63-S67 PolarHBondContact O-N 2.9Å; A63-S67 PolarHBondContact O-OG 3.48Å; A63-S67 VanDerWaalsContact O-OG 3.06Å; A63-V79 HydrophobicContact CB-CG1 4.1Å
64V83.8Confident82.2Confident7 Ų759.9 Ų59.94%0.04231%0.309CS..Hα-helixtrans-59.7-44.7179172.40000112.1Y60 Q61 N66 S67 R68 W76 V79 F91 L94Y60-V64 VanDerWaalsContact O-CG2 3.24Å; Y60-V64 WeakPolarHBondContact O-CG2 3.31Å; Y60-V64 PolarHBondContact O-N 2.65Å; Q61-V64 PolarHBondContact O-N 3.11Å; V64-N66 VanDerWaalsContact C-N 3.29Å; V64-N66 PolarHBondContact O-N 3.23Å; V64-S67 WeakPolarHBondContact O-CB 3.42Å; V64-S67 PolarHBondContact O-N 2.84Å; V64-R68 PolarHBondContact O-N 3.42Å; V64-W76 HydrophobicContact CG1-CH2 4.45Å; V64-W76 HydrophobicContact CG1-CZ3 4.22Å; V64-V79 HydrophobicContact CG2-CG1 4.44Å; V64-F91 HydrophobicContact CG2-CB 4.11Å; V64-F91 HydrophobicContact CG2-CD1 4.18Å; V64-F91 HydrophobicContact CG2-CG 4.46Å; V64-L94 HydrophobicContact CG1-CD2 3.63Å
65D84.8Confident82.5Confident84 Ų8460 Ų6045%0.44931%0.31SS..Hα-helixtrans-64.8-35.1179.1-75.1-25.6000112.4Q61 A63 K69Q61-D65 PolarHBondContact O-N 3.03Å; A63-D65 PolarHBondContact O-N 2.82Å; D65-K69 WeakPolarHBondContact O-CG 3.28Å; D65-K69 PolarHBondContact O-N 3.26Å
66N81.3Confident82.8Confident18 Ų1860.2 Ų60.210%0.09631%0.31CS..Hα-helixtrans-75.4-34.9175.5-72.7-51.8000112A51 L54 A62 A63 V64 R68 K69 A70A51-N66 HydrophobicContact CB-CB 4.3Å; L54-N66 WeakPolarHBondContact CD1-ND2 3.19Å; A62-N66 WeakPolarHBondContact O-CB 3.48Å; A62-N66 PolarHBondContact O-N 2.94Å; A62-N66 VanDerWaalsContact O-N 3.17Å; A62-N66 PolarHBondContact O-ND2 2.83Å; A63-N66 PolarHBondContact O-N 2.83Å; V64-N66 VanDerWaalsContact C-N 3.29Å; V64-N66 PolarHBondContact O-N 3.23Å; N66-R68 VanDerWaalsContact C-N 3.27Å; N66-R68 PolarHBondContact O-N 2.91Å; N66-K69 WeakPolarHBondContact O-CB 3.49Å; N66-K69 PolarHBondContact O-N 3.41Å; N66-K69 VanDerWaalsContact O-N 3.09Å; N66-A70 PolarHBondContact O-N 3.09Å
67S83.2Confident83.3Confident0 Ų056.5 Ų56.50%029%0.292CS..Hα-helixtrans-60.4-37.2170.8-60.60000112A63 V64 K69 A70 S71 V79A63-S67 PolarHBondContact O-N 2.9Å; A63-S67 PolarHBondContact O-OG 3.48Å; A63-S67 VanDerWaalsContact O-OG 3.06Å; V64-S67 WeakPolarHBondContact O-CB 3.42Å; V64-S67 PolarHBondContact O-N 2.84Å; S67-K69 VanDerWaalsContact C-N 3.32Å; S67-K69 PolarHBondContact O-N 3.3Å; S67-A70 PolarHBondContact O-N 2.96Å; S67-S71 PolarHBondContact O-N 3.21Å; S67-V79 VanDerWaalsContact OG-CG2 3.25Å; S67-V79 WeakPolarHBondContact OG-CG2 3.47Å
68R84Confident83.5Confident141 Ų14156.7 Ų56.753%0.53229%0.291SS..Hα-helixtrans-62.4-37.6173-169.7-179-69.9167.30.6112.8V64 N66 W76V64-R68 PolarHBondContact O-N 3.42Å; N66-R68 VanDerWaalsContact C-N 3.27Å; N66-R68 PolarHBondContact O-N 2.91Å; R68-W76 VanDerWaalsContact CA-CZ2 3.47Å; R68-W76 HydrophobicContact CB-CH2 4.07Å; R68-W76 HydrophobicContact CB-CZ2 3.99Å
69K82.6Confident83.8Confident130 Ų13054.8 Ų54.857%0.56527%0.272SS*.Hα-helixtrans-74.1-33.7176-65.6171.5-171167.60112.5F47 D65 N66 S67F47-K69 HydrophobicContact CB-CB 4.41Å; F47-K69 HydrophobicContact CD1-CB 4.25Å; F47-K69 HydrophobicContact CD1-CD 4.17Å; F47-K69 HydrophobicContact CD2-CB 4.09Å; F47-K69 HydrophobicContact CE1-CD 4.01Å; F47-K69 HydrophobicContact CE2-CB 4.46Å; F47-K69 HydrophobicContact CG-CB 3.98Å; F47-K69 HydrophobicContact CZ-CD 4.38Å; D65-K69 WeakPolarHBondContact O-CG 3.28Å; D65-K69 PolarHBondContact O-N 3.26Å; N66-K69 WeakPolarHBondContact O-CB 3.49Å; N66-K69 PolarHBondContact O-N 3.41Å; N66-K69 VanDerWaalsContact O-N 3.09Å; S67-K69 VanDerWaalsContact C-N 3.32Å; S67-K69 PolarHBondContact O-N 3.3Å
70A78.1Confident83.9Confident25 Ų2551 Ų5121%0.20725%0.254CS..Hα-helixtrans-72.2-34.1177.700000112.4F47 N66 S67 S72 T75F47-A70 HydrophobicContact CB-CB 3.86Å; N66-A70 PolarHBondContact O-N 3.09Å; S67-A70 PolarHBondContact O-N 2.96Å; A70-S72 PolarHBondContact O-N 3.24Å; A70-S72 VanDerWaalsContact O-N 3.08Å; A70-T75 HydrophobicContact CB-CG2 4.45Å
71S79.6Confident84.2Confident100 Ų10050.4 Ų50.470%0.69925%0.252SS*.  trans54.723179.467.10000115.1S67S67-S71 PolarHBondContact O-N 3.21Å
72S85.5Confident84.3Confident47 Ų4744.9 Ų44.933%0.32923%0.23SC..  trans-100.8130.7-179.7176.80000111.1A70 R74 T75 W76A70-S72 PolarHBondContact O-N 3.24Å; A70-S72 VanDerWaalsContact O-N 3.08Å; S72-R74 VanDerWaalsContact C-N 3.3Å; S72-R74 PolarHBondContact O-N 3.26Å; S72-T75 WeakPolarHBondContact CB-OG1 3.47Å; S72-T75 PolarHBondContact O-N 3.08Å; S72-T75 VanDerWaalsContact O-N 3.14Å; S72-T75 PolarHBondContact O-OG1 3.06Å; S72-W76 PolarHBondContact O-N 3.4Å; S72-W76 VanDerWaalsContact O-N 3.11Å
73T84.8Confident84.5Confident46 Ų4643.5 Ų43.528%0.28222%0.218SC..Hα-helixtrans-57-42.8177.752.10000112.1T75 W76 K77 H102T73-T75 VanDerWaalsContact C-N 3.32Å; T73-T75 PolarHBondContact O-N 3.41Å; T73-W76 PolarHBondContact O-N 3.28Å; T73-K77 WeakPolarHBondContact O-CG 3.34Å; T73-K77 PolarHBondContact O-N 3.19Å; T73-H102 VanDerWaalsContact CG2-CD2 3.45Å; T73-H102 WeakPolarHBondContact CG2-CD2 2.94Å; T73-H102 VanDerWaalsContact CG2-NE2 3.34Å; T73-H102 WeakPolarHBondContact CG2-NE2 3.35Å
74R85.2Confident84.5Confident161 Ų16143.5 Ų43.561%0.60822%0.218SC*.Hα-helixtrans-58-43.7176.3-177.9178.6173163.75.3112.3S72 K77 E78S72-R74 VanDerWaalsContact C-N 3.3Å; S72-R74 PolarHBondContact O-N 3.26Å; R74-K77 PolarHBondContact O-N 3.33Å; R74-E78 IonicContact CZ-OE1 3Å; R74-E78 IonicContact NE-OE1 3.43Å; R74-E78 PolarHBondContact NE-OE1 3.15Å; R74-E78 IonicContact NH2-OE1 3.84Å; R74-E78 WeakPolarHBondContact O-CG 3.49Å; R74-E78 PolarHBondContact O-N 2.9Å
75T85.4Confident84.6Confident7 Ų747.7 Ų47.74%0.04324%0.24CC..Hα-helixtrans-67-38.9179.458.60000111.9A48 A70 S72 T73 K77 E78 V79A48-T75 VanDerWaalsContact CA-CG2 3.48Å; A48-T75 HydrophobicContact CB-CG2 3.29Å; A70-T75 HydrophobicContact CB-CG2 4.45Å; S72-T75 WeakPolarHBondContact CB-OG1 3.47Å; S72-T75 PolarHBondContact O-N 3.08Å; S72-T75 VanDerWaalsContact O-N 3.14Å; S72-T75 PolarHBondContact O-OG1 3.06Å; T73-T75 VanDerWaalsContact C-N 3.32Å; T73-T75 PolarHBondContact O-N 3.41Å; T75-K77 VanDerWaalsContact C-N 3.34Å; T75-K77 PolarHBondContact O-N 2.97Å; T75-E78 PolarHBondContact O-N 3.3Å; T75-V79 VanDerWaalsContact O-CG2 3.27Å; T75-V79 WeakPolarHBondContact O-CG2 3.46Å; T75-V79 PolarHBondContact O-N 3.21Å
76W87.5Confident84.6Confident15 Ų1545.1 Ų45.16%0.05723%0.233CC..Hα-helixtrans-61.9-41.7173.5-74.3116.1000111.9V64 R68 S72 T73 V79 C80 C95 H98 I99V64-W76 HydrophobicContact CG1-CH2 4.45Å; V64-W76 HydrophobicContact CG1-CZ3 4.22Å; R68-W76 VanDerWaalsContact CA-CZ2 3.47Å; R68-W76 HydrophobicContact CB-CH2 4.07Å; R68-W76 HydrophobicContact CB-CZ2 3.99Å; S72-W76 PolarHBondContact O-N 3.4Å; S72-W76 VanDerWaalsContact O-N 3.11Å; T73-W76 PolarHBondContact O-N 3.28Å; W76-V79 PolarHBondContact O-N 3.09Å; W76-C80 WeakPolarHBondContact O-CB 3.35Å; W76-C80 PolarHBondContact O-N 3.16Å; W76-C95 HydrophobicContact CE3-CB 3.94Å; W76-C95 HydrophobicContact CZ3-CB 4.28Å; W76-H98 HydrophobicContact CD2-CB 4.06Å; W76-H98 HydrophobicContact CG-CB 4.24Å; W76-H98 AromaticContact CH2-CD2 3.59Å; W76-H98 HydrophobicContact CZ2-CB 4.39Å; W76-H98 AromaticContact CZ2-CD2 3.6Å; W76-I99 HydrophobicContact CB-CD1 4.15Å; W76-I99 HydrophobicContact CB-CG1 3.68Å
77K87.6Confident84.7Confident22 Ų2250.4 Ų50.410%0.09626%0.258CS..Hα-helixtrans-61.8-51.2176.4-72.617664.6179.60112.3T73 R74 T75 V79 C80 F81 I99 E105 E108T73-K77 WeakPolarHBondContact O-CG 3.34Å; T73-K77 PolarHBondContact O-N 3.19Å; R74-K77 PolarHBondContact O-N 3.33Å; T75-K77 VanDerWaalsContact C-N 3.34Å; T75-K77 PolarHBondContact O-N 2.97Å; K77-V79 VanDerWaalsContact C-N 3.31Å; K77-V79 PolarHBondContact O-N 3.29Å; K77-C80 PolarHBondContact O-N 3.17Å; K77-C80 VanDerWaalsContact O-N 3.17Å; K77-F81 WeakPolarHBondContact O-CB 3.38Å; K77-F81 VanDerWaalsContact O-CG 3.26Å; K77-F81 WeakPolarHBondContact O-CG 3.26Å; K77-F81 PolarHBondContact O-N 3.29Å; K77-I99 HydrophobicContact CB-CD1 4.43Å; K77-I99 HydrophobicContact CG-CD1 3.94Å; K77-I99 HydrophobicContact CG-CG1 4.23Å; K77-I99 HydrophobicContact CG-CG2 3.99Å; K77-E105 HydrophobicContact CD-CG 4.48Å; K77-E105 VanDerWaalsContact CD-OE2 3.29Å; K77-E105 WeakPolarHBondContact CD-OE2 3.49Å; K77-E105 WeakPolarHBondContact CE-OE2 3.37Å; K77-E105 IonicContact NZ-OE2 3.79Å; K77-E105 PolarHBondContact NZ-OE2 3.31Å; K77-E108 VanDerWaalsContact CE-OE1 3.26Å; K77-E108 WeakPolarHBondContact CE-OE1 3.49Å; K77-E108 IonicContact NZ-OE1 3.54Å; K77-E108 PolarHBondContact NZ-OE1 3.44Å; K77-E108 IonicContact NZ-OE2 2.87Å; K77-E108 PolarHBondContact NZ-OE2 3.1Å
78E85.1Confident84.9Confident58 Ų5854.4 Ų54.427%0.27128%0.276SS..Hα-helixtrans-57-45.7179-71.2175.7-163.700111.2S52 R74 T75 A82S52-E78 PolarHBondContact OG-OE2 3.36Å; R74-E78 IonicContact CZ-OE1 3Å; R74-E78 IonicContact NE-OE1 3.43Å; R74-E78 PolarHBondContact NE-OE1 3.15Å; R74-E78 IonicContact NH2-OE1 3.84Å; R74-E78 WeakPolarHBondContact O-CG 3.49Å; R74-E78 PolarHBondContact O-N 2.9Å; T75-E78 PolarHBondContact O-N 3.3Å; E78-A82 WeakPolarHBondContact O-CB 3.39Å; E78-A82 PolarHBondContact O-N 2.99Å
79V85.6Confident85Confident1 Ų150.1 Ų50.11%0.00626%0.262CS..Hα-helixtrans-68.1-40.7177176.90000112A51 V55 A63 V64 S67 T75 W76 K77 A82 C83A51-V79 HydrophobicContact CB-CG2 3.85Å; V55-V79 HydrophobicContact CG2-CB 4.06Å; V55-V79 HydrophobicContact CG2-CG1 3.94Å; V55-V79 HydrophobicContact CG2-CG2 3.71Å; A63-V79 HydrophobicContact CB-CG1 4.1Å; V64-V79 HydrophobicContact CG2-CG1 4.44Å; S67-V79 VanDerWaalsContact OG-CG2 3.25Å; S67-V79 WeakPolarHBondContact OG-CG2 3.47Å; T75-V79 VanDerWaalsContact O-CG2 3.27Å; T75-V79 WeakPolarHBondContact O-CG2 3.46Å; T75-V79 PolarHBondContact O-N 3.21Å; W76-V79 PolarHBondContact O-N 3.09Å; K77-V79 VanDerWaalsContact C-N 3.31Å; K77-V79 PolarHBondContact O-N 3.29Å; V79-A82 PolarHBondContact O-N 3.33Å; V79-C83 WeakPolarHBondContact O-CB 3.43Å; V79-C83 PolarHBondContact O-N 3.2Å; V79-C83 PolarHBondContact O-SG 3.12Å
80C87Confident85.1Confident0 Ų053.6 Ų53.60%027%0.271CS..Hα-helixtrans-63.6-45.3179.2-169.50000111.9W76 K77 C83 M84 A92 C95 I99W76-C80 WeakPolarHBondContact O-CB 3.35Å; W76-C80 PolarHBondContact O-N 3.16Å; K77-C80 PolarHBondContact O-N 3.17Å; K77-C80 VanDerWaalsContact O-N 3.17Å; C80-C83 PolarHBondContact O-N 3.03Å; C80-M84 WeakPolarHBondContact O-CG 3.46Å; C80-M84 PolarHBondContact O-N 2.97Å; C80-A92 PolarHBondContact SG-O 3.1Å; C80-C95 HydrophobicContact CB-CB 3.8Å; C80-I99 HydrophobicContact CB-CD1 3.58Å
81F88.2Confident85.5Confident33 Ų3354.4 Ų54.415%0.14527%0.27CS..Hα-helixtrans-60.8-46178.7-71.9-4.2000111.2K77 M84 D85 L109 Y112K77-F81 WeakPolarHBondContact O-CB 3.38Å; K77-F81 VanDerWaalsContact O-CG 3.26Å; K77-F81 WeakPolarHBondContact O-CG 3.26Å; K77-F81 PolarHBondContact O-N 3.29Å; F81-M84 HydrophobicContact CD1-CE 3.48Å; F81-M84 VanDerWaalsContact CD1-CE 3.48Å; F81-M84 HydrophobicContact CE1-CE 4.07Å; F81-M84 WeakPolarHBondContact O-CB 3.15Å; F81-M84 PolarHBondContact O-N 3.4Å; F81-M84 VanDerWaalsContact O-N 3.16Å; F81-D85 PolarHBondContact O-N 3.43Å; F81-L109 HydrophobicContact CD1-CD1 4.49Å; F81-L109 HydrophobicContact CE1-CD1 3.79Å; F81-Y112 HydrophobicContact CB-CE1 3.91Å; F81-Y112 HydrophobicContact CB-CE2 4.03Å; F81-Y112 WeakPolarHBondContact CB-OH 3.36Å; F81-Y112 AromaticContact CD1-CD1 3.63Å; F81-Y112 HydrophobicContact CD1-CD1 3.63Å; F81-Y112 HydrophobicContact CD1-CD2 4.1Å; F81-Y112 AromaticContact CD1-CE1 3.77Å; F81-Y112 HydrophobicContact CD1-CE1 3.77Å; F81-Y112 HydrophobicContact CD1-CE2 4.23Å; F81-Y112 AromaticContact CD1-CG 3.76Å; F81-Y112 HydrophobicContact CD1-CG 3.76Å; F81-Y112 HydrophobicContact CD2-CD2 4.05Å; F81-Y112 AromaticContact CD2-CE2 3.93Å; F81-Y112 HydrophobicContact CD2-CE2 3.93Å; F81-Y112 AromaticContact CE1-CD1 3.9Å; F81-Y112 HydrophobicContact CE1-CD1 3.9Å; F81-Y112 HydrophobicContact CE1-CD2 4.11Å; F81-Y112 HydrophobicContact CE1-CE1 4.48Å; F81-Y112 AromaticContact CE1-CG 3.66Å; F81-Y112 HydrophobicContact CE1-CG 3.66Å; F81-Y112 HydrophobicContact CE2-CD2 4.1Å; F81-Y112 HydrophobicContact CE2-CE2 4.43Å; F81-Y112 HydrophobicContact CE2-CG 4.45Å; F81-Y112 HydrophobicContact CG-CD1 4.16Å; F81-Y112 HydrophobicContact CG-CD2 4.04Å; F81-Y112 AromaticContact CG-CE1 3.93Å; F81-Y112 HydrophobicContact CG-CE1 3.93Å; F81-Y112 AromaticContact CG-CE2 3.81Å; F81-Y112 HydrophobicContact CG-CE2 3.81Å; F81-Y112 HydrophobicContact CG-CG 4.18Å; F81-Y112 AromaticContact CG-CZ 3.71Å; F81-Y112 HydrophobicContact CZ-CD2 4.12Å; F81-Y112 HydrophobicContact CZ-CG 4.03Å; F81-Y112 PolarHBondContact O-OH 3.05Å; F81-Y112 VanDerWaalsContact O-OH 3.09Å
82A85.7Confident85.8Confident18 Ų1849.6 Ų49.615%0.14924%0.237CC..Hα-helixtrans-75.4-27.6179.100000114.5V55 E78 V79 M84 D85 G86V55-A82 HydrophobicContact CB-CB 4.33Å; V55-A82 HydrophobicContact CG1-CB 2.98Å; V55-A82 HydrophobicContact CG2-CB 4.49Å; E78-A82 WeakPolarHBondContact O-CB 3.39Å; E78-A82 PolarHBondContact O-N 2.99Å; V79-A82 PolarHBondContact O-N 3.33Å; A82-M84 VanDerWaalsContact C-N 3.27Å; A82-D85 WeakPolarHBondContact O-CB 3.21Å; A82-D85 PolarHBondContact O-N 3.35Å; A82-G86 PolarHBondContact O-N 3.38Å
83C85.7Confident85.9Confident0 Ų050.1 Ų50.10%023%0.234CC..Hα-helixtrans-63.7-35.7167.4-74.30000111.3Y60 V79 C80 G86 Q87 E88 A92Y60-C83 HydrophobicContact CD1-CB 4.46Å; Y60-C83 WeakPolarHBondContact CD1-SG 3.45Å; V79-C83 WeakPolarHBondContact O-CB 3.43Å; V79-C83 PolarHBondContact O-N 3.2Å; V79-C83 PolarHBondContact O-SG 3.12Å; C80-C83 PolarHBondContact O-N 3.03Å; C83-G86 PolarHBondContact O-N 3.4Å; C83-Q87 PolarHBondContact O-N 2.81Å; C83-E88 PolarHBondContact O-N 3.31Å; C83-A92 HydrophobicContact CB-CB 3.93Å
84M84.8Confident85.9Confident0 Ų051 Ų510%024%0.237CC..Hα-helixtrans-70.2-40.1173.5-72.8-171.9-87.300112.4C80 F81 A82 G86 Q87 A92 L109 Y112 Y113C80-M84 WeakPolarHBondContact O-CG 3.46Å; C80-M84 PolarHBondContact O-N 2.97Å; F81-M84 HydrophobicContact CD1-CE 3.48Å; F81-M84 VanDerWaalsContact CD1-CE 3.48Å; F81-M84 HydrophobicContact CE1-CE 4.07Å; F81-M84 WeakPolarHBondContact O-CB 3.15Å; F81-M84 PolarHBondContact O-N 3.4Å; F81-M84 VanDerWaalsContact O-N 3.16Å; A82-M84 VanDerWaalsContact C-N 3.27Å; M84-G86 PolarHBondContact O-N 2.92Å; M84-Q87 PolarHBondContact O-N 2.71Å; M84-Q87 VanDerWaalsContact O-N 3.13Å; M84-A92 HydrophobicContact CG-CB 3.87Å; M84-L109 HydrophobicContact CE-CD1 4.41Å; M84-Y112 HydrophobicContact CB-CE1 4.15Å; M84-Y112 HydrophobicContact CE-CD1 3.27Å; M84-Y112 HydrophobicContact CE-CE1 3.47Å; M84-Y112 VanDerWaalsContact CE-CE1 3.47Å; M84-Y112 HydrophobicContact CE-CG 4.38Å; M84-Y112 HydrophobicContact SD-CD1 3.92Å; M84-Y112 HydrophobicContact SD-CE1 4.06Å; M84-Y113 HydrophobicContact CE-CD2 3.77Å; M84-Y113 HydrophobicContact CE-CE2 3.39Å; M84-Y113 HydrophobicContact CG-CE1 4.45Å; M84-Y113 HydrophobicContact SD-CD1 3.81Å; M84-Y113 HydrophobicContact SD-CD2 3.51Å; M84-Y113 VanDerWaalsContact SD-CD2 3.51Å; M84-Y113 HydrophobicContact SD-CE1 3.53Å; M84-Y113 VanDerWaalsContact SD-CE1 3.53Å; M84-Y113 HydrophobicContact SD-CE2 3.21Å; M84-Y113 WeakPolarHBondContact SD-CE2 3.41Å; M84-Y113 HydrophobicContact SD-CG 3.8Å
85D86Confident86Confident95 Ų9543.4 Ų43.451%0.50821%0.208SC..Hα-helixtrans-55.1-42.3169.7-82.7-50.2000112F81 A82 Q87 Y112 R116F81-D85 PolarHBondContact O-N 3.43Å; A82-D85 WeakPolarHBondContact O-CB 3.21Å; A82-D85 PolarHBondContact O-N 3.35Å; D85-Q87 VanDerWaalsContact C-N 3.26Å; D85-Q87 PolarHBondContact O-N 3.2Å; D85-Y112 PolarHBondContact OD2-OH 2.92Å; D85-Y112 VanDerWaalsContact OD2-OH 3.06Å; D85-R116 VanDerWaalsContact CA-NH1 3.3Å; D85-R116 VanDerWaalsContact CG-NH2 3.33Å; D85-R116 IonicContact OD1-CZ 2.62Å; D85-R116 IonicContact OD1-NH1 2.75Å; D85-R116 PolarHBondContact OD1-NH1 2.93Å; D85-R116 IonicContact OD1-NH2 3.85Å; D85-R116 PolarHBondContact OD1-NH2 3.38Å; D85-R116 IonicContact OD2-NH1 3.67Å; D85-R116 IonicContact OD2-NH2 2.64Å; D85-R116 PolarHBondContact OD2-NH2 3.22Å
86G82.9Confident86Confident30 Ų3043 Ų4331%0.30921%0.206SC..THydrogen-bonded Turntrans-77.41.217800000115.6A82 C83 M84 E88A82-G86 PolarHBondContact O-N 3.38Å; C83-G86 PolarHBondContact O-N 3.4Å; M84-G86 PolarHBondContact O-N 2.92Å; G86-E88 PolarHBondContact O-N 3.18Å
87Q85.1Confident86.1Confident129 Ų12944.2 Ų44.260%0.60321%0.213SC*.THydrogen-bonded Turntrans57.623.3-174.7-57.3-177.3-8.400114.8C83 M84 D85 F89C83-Q87 PolarHBondContact O-N 2.81Å; M84-Q87 PolarHBondContact O-N 2.71Å; M84-Q87 VanDerWaalsContact O-N 3.13Å; D85-Q87 VanDerWaalsContact C-N 3.26Å; D85-Q87 PolarHBondContact O-N 3.2Å; Q87-F89 HydrophobicContact CB-CE2 4.19Å; Q87-F89 HydrophobicContact CB-CZ 4.21Å; Q87-F89 WeakPolarHBondContact O-CD2 3.34Å; Q87-F89 WeakPolarHBondContact O-CE2 3.46Å; Q87-F89 PolarHBondContact O-N 2.96Å
88E86.4Confident86Confident84 Ų8446.5 Ų46.539%0.39322%0.224SC..  trans-93.570.7179-74.7-68.4171.900110.6Y60 C83 G86 R90 F91 A92Y60-E88 HydrophobicContact CD2-CB 4.34Å; Y60-E88 HydrophobicContact CD2-CG 3.77Å; Y60-E88 HydrophobicContact CE2-CG 3.91Å; C83-E88 PolarHBondContact O-N 3.31Å; G86-E88 PolarHBondContact O-N 3.18Å; E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 3.12Å; E88-F91 HydrophobicContact CB-CD2 4.24Å; E88-F91 PolarHBondContact O-N 3.39Å; E88-A92 PolarHBondContact O-N 2.99Å; E88-A92 VanDerWaalsContact O-N 3.12Å
89F85.4Confident86.2Confident51 Ų5143.8 Ų43.822%0.22421%0.211CC..Hα-helixtrans-62.5-32.5-170.6-57.4-65.8000114Q87 F91 A92 Q93 Y118 E121Q87-F89 HydrophobicContact CB-CE2 4.19Å; Q87-F89 HydrophobicContact CB-CZ 4.21Å; Q87-F89 WeakPolarHBondContact O-CD2 3.34Å; Q87-F89 WeakPolarHBondContact O-CE2 3.46Å; Q87-F89 PolarHBondContact O-N 2.96Å; F89-F91 VanDerWaalsContact C-N 3.33Å; F89-F91 PolarHBondContact O-N 3.41Å; F89-A92 PolarHBondContact O-N 3.41Å; F89-Q93 WeakPolarHBondContact O-CB 3.45Å; F89-Q93 PolarHBondContact O-N 3.21Å; F89-Y118 AromaticContact CE1-CD1 3.79Å; F89-Y118 HydrophobicContact CE1-CD1 3.79Å; F89-Y118 HydrophobicContact CE1-CD2 4.17Å; F89-Y118 AromaticContact CE1-CE1 3.85Å; F89-Y118 HydrophobicContact CE1-CE1 3.85Å; F89-Y118 HydrophobicContact CE1-CE2 4.2Å; F89-Y118 AromaticContact CE1-CG 3.98Å; F89-Y118 HydrophobicContact CE1-CG 3.98Å; F89-Y118 AromaticContact CZ-CD1 3.88Å; F89-Y118 HydrophobicContact CZ-CD1 3.88Å; F89-Y118 AromaticContact CZ-CE1 3.59Å; F89-Y118 HydrophobicContact CZ-CE1 3.59Å; F89-Y118 AromaticContact CZ-CZ 3.97Å; F89-E121 HydrophobicContact CB-CG 4.24Å; F89-E121 HydrophobicContact CD1-CB 4.42Å; F89-E121 HydrophobicContact CD1-CG 3.77Å; F89-E121 HydrophobicContact CE1-CG 4.28Å; F89-E121 HydrophobicContact CG-CG 3.95Å
90R86.1Confident86.3Confident204 Ų20443.7 Ų43.777%0.7721%0.211SC*.Hα-helixtrans-61.9-40.7179-174.6179.9177.4-175.9-0.3112.4E88 L94E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 3.12Å; R90-L94 PolarHBondContact O-N 3.43Å
91F85.3Confident86.2Confident41 Ų4145.3 Ų45.318%0.1822%0.219CC..Hα-helixtrans-78.5-36.5177.6-63.5-63.1000111.2Q61 V64 E88 F89 Q93 L94 C95Q61-F91 HydrophobicContact CG-CE1 3.62Å; Q61-F91 HydrophobicContact CG-CE2 4.02Å; Q61-F91 HydrophobicContact CG-CZ 3.29Å; V64-F91 HydrophobicContact CG2-CB 4.11Å; V64-F91 HydrophobicContact CG2-CD1 4.18Å; V64-F91 HydrophobicContact CG2-CG 4.46Å; E88-F91 HydrophobicContact CB-CD2 4.24Å; E88-F91 PolarHBondContact O-N 3.39Å; F89-F91 VanDerWaalsContact C-N 3.33Å; F89-F91 PolarHBondContact O-N 3.41Å; F91-Q93 VanDerWaalsContact C-N 3.3Å; F91-Q93 PolarHBondContact O-N 2.92Å; F91-L94 PolarHBondContact O-N 3.19Å; F91-C95 PolarHBondContact O-N 3.41Å; F91-C95 PolarHBondContact O-SG 3.12Å; F91-C95 VanDerWaalsContact O-SG 3.33Å
92A86.9Confident86.2Confident0 Ų047.2 Ų47.20%023%0.228CC..Hα-helixtrans-59-40.7172.700000112C80 C83 M84 E88 F89 C95 G96C80-A92 PolarHBondContact SG-O 3.1Å; C83-A92 HydrophobicContact CB-CB 3.93Å; M84-A92 HydrophobicContact CG-CB 3.87Å; E88-A92 PolarHBondContact O-N 2.99Å; E88-A92 VanDerWaalsContact O-N 3.12Å; F89-A92 PolarHBondContact O-N 3.41Å; A92-C95 PolarHBondContact O-N 2.96Å; A92-G96 PolarHBondContact O-N 2.85Å
93Q86.4Confident86.1Confident57 Ų5749 Ų4927%0.26624%0.243SC..Hα-helixtrans-62.5-46.4177.1-166-177.610.700111.4F89 F91 C95 G96 L97 L124 L125F89-Q93 WeakPolarHBondContact O-CB 3.45Å; F89-Q93 PolarHBondContact O-N 3.21Å; F91-Q93 VanDerWaalsContact C-N 3.3Å; F91-Q93 PolarHBondContact O-N 2.92Å; Q93-C95 PolarHBondContact O-N 3.04Å; Q93-G96 PolarHBondContact O-N 3.38Å; Q93-L97 WeakPolarHBondContact O-CG 3.31Å; Q93-L97 PolarHBondContact O-N 3.39Å; Q93-L124 PolarHBondContact NE2-O 3.04Å; Q93-L125 HydrophobicContact CG-CB 4.26Å; Q93-L125 HydrophobicContact CG-CD1 4.41Å; Q93-L125 HydrophobicContact CG-CG 4.3Å
94L86.4Confident86.2Confident66 Ų6656.3 Ų56.335%0.34628%0.282SS..Hα-helixtrans-64.9-41.4179.2-166.5143.6000112.1V64 R90 F91 H98V64-L94 HydrophobicContact CG1-CD2 3.63Å; R90-L94 PolarHBondContact O-N 3.43Å; F91-L94 PolarHBondContact O-N 3.19Å; L94-H98 PolarHBondContact O-CD2 3.3Å
95C85.6Confident86.4Confident0 Ų058.4 Ų58.40%029%0.292CS..Hα-helixtrans-62.8-46.1173.1-70.50000111.6W76 C80 F91 A92 Q93 L97 H98 I99W76-C95 HydrophobicContact CE3-CB 3.94Å; W76-C95 HydrophobicContact CZ3-CB 4.28Å; C80-C95 HydrophobicContact CB-CB 3.8Å; F91-C95 PolarHBondContact O-N 3.41Å; F91-C95 PolarHBondContact O-SG 3.12Å; F91-C95 VanDerWaalsContact O-SG 3.33Å; A92-C95 PolarHBondContact O-N 2.96Å; Q93-C95 PolarHBondContact O-N 3.04Å; C95-L97 VanDerWaalsContact C-N 3.32Å; C95-L97 PolarHBondContact O-N 3.26Å; C95-H98 WeakPolarHBondContact O-CB 3.49Å; C95-H98 PolarHBondContact O-N 3.28Å; C95-H98 VanDerWaalsContact O-N 3.07Å; C95-I99 PolarHBondContact O-N 2.95Å
96G87.1Confident86.5Confident0 Ų054.2 Ų54.20%027%0.269CS..Hα-helixtrans-66.7-31-176.700000113.2A92 Q93 H98 I99 V100A92-G96 PolarHBondContact O-N 2.85Å; Q93-G96 PolarHBondContact O-N 3.38Å; G96-H98 PolarHBondContact O-N 2.95Å; G96-I99 PolarHBondContact O-N 3.38Å; G96-V100 WeakPolarHBondContact O-CB 3.41Å; G96-V100 WeakPolarHBondContact O-CG2 3.5Å; G96-V100 PolarHBondContact O-N 2.9Å
97L88.5Confident86.8Confident39 Ų3960 Ų6020%0.20429%0.288CS..Hα-helixtrans-57.9-33.2170.9-71.9174000112.8Q93 C95 I101 A128 A129 L132Q93-L97 WeakPolarHBondContact O-CG 3.31Å; Q93-L97 PolarHBondContact O-N 3.39Å; C95-L97 VanDerWaalsContact C-N 3.32Å; C95-L97 PolarHBondContact O-N 3.26Å; L97-I101 WeakPolarHBondContact O-CD1 3.46Å; L97-I101 WeakPolarHBondContact O-CG1 3.11Å; L97-A128 HydrophobicContact CD2-CB 3.98Å; L97-A129 HydrophobicContact CD2-CB 3.73Å; L97-L132 HydrophobicContact CD2-CD1 4.22Å
98H86.8Confident87Confident71 Ų7158.6 Ų58.633%0.32928%0.282SS..Hα-helixtrans-78-24.7175.8-71.1-61.9000113.2W76 L94 C95 G96W76-H98 HydrophobicContact CD2-CB 4.06Å; W76-H98 HydrophobicContact CG-CB 4.24Å; W76-H98 AromaticContact CH2-CD2 3.59Å; W76-H98 HydrophobicContact CZ2-CB 4.39Å; W76-H98 AromaticContact CZ2-CD2 3.6Å; L94-H98 PolarHBondContact O-CD2 3.3Å; C95-H98 WeakPolarHBondContact O-CB 3.49Å; C95-H98 PolarHBondContact O-N 3.28Å; C95-H98 VanDerWaalsContact O-N 3.07Å; G96-H98 PolarHBondContact O-N 2.95Å
99I87.5Confident87.1Confident0 Ų054.7 Ų54.70%026%0.263CS..Hα-helixtrans-82.7-47.9179.2-57.8165.7000110.6W76 K77 C80 C95 G96 I101 H102 E105 L109W76-I99 HydrophobicContact CB-CD1 4.15Å; W76-I99 HydrophobicContact CB-CG1 3.68Å; K77-I99 HydrophobicContact CB-CD1 4.43Å; K77-I99 HydrophobicContact CG-CD1 3.94Å; K77-I99 HydrophobicContact CG-CG1 4.23Å; K77-I99 HydrophobicContact CG-CG2 3.99Å; C80-I99 HydrophobicContact CB-CD1 3.58Å; C95-I99 PolarHBondContact O-N 2.95Å; G96-I99 PolarHBondContact O-N 3.38Å; I99-I101 PolarHBondContact O-N 3.19Å; I99-H102 WeakPolarHBondContact O-CB 3.45Å; I99-H102 PolarHBondContact O-N 2.67Å; I99-E105 HydrophobicContact CG2-CB 3.95Å; I99-L109 HydrophobicContact CB-CD2 4.4Å; I99-L109 HydrophobicContact CD1-CD1 4.31Å; I99-L109 HydrophobicContact CG2-CD2 4.22Å
100V87.6Confident87.3Confident0 Ų052.5 Ų52.50%025%0.254CS..THydrogen-bonded Turntrans-60.7-18.4-173.9167.80000113.5G96 H102 L106 L109 L125 L126 A129 H136 M139G96-V100 WeakPolarHBondContact O-CB 3.41Å; G96-V100 WeakPolarHBondContact O-CG2 3.5Å; G96-V100 PolarHBondContact O-N 2.9Å; V100-H102 PolarHBondContact O-N 3.18Å; V100-L106 HydrophobicContact CB-CD1 4.48Å; V100-L106 HydrophobicContact CG1-CD1 4.06Å; V100-L106 HydrophobicContact CG2-CD1 4.01Å; V100-L109 HydrophobicContact CG2-CD2 3.4Å; V100-L125 HydrophobicContact CB-CD2 4.38Å; V100-L125 HydrophobicContact CG2-CD2 3.47Å; V100-L125 VanDerWaalsContact CG2-CD2 3.47Å; V100-L126 HydrophobicContact CG1-CD2 3.99Å; V100-A129 HydrophobicContact CG1-CB 3.85Å; V100-H136 PolarHBondContact O-CE1 2.82Å; V100-M139 HydrophobicContact CG1-CE 3.52Å; V100-M139 HydrophobicContact CG1-CG 3.71Å; V100-M139 HydrophobicContact CG1-SD 3.75Å
101I86.4Confident87.4Confident34 Ų3445.6 Ų45.617%0.17424%0.236CC..THydrogen-bonded Turntrans-62.6-29.9172.7-64.1164.3000111.3L97 I99 L132 R134 H136L97-I101 WeakPolarHBondContact O-CD1 3.46Å; L97-I101 WeakPolarHBondContact O-CG1 3.11Å; I99-I101 PolarHBondContact O-N 3.19Å; I101-L132 HydrophobicContact CD1-CD1 4.16Å; I101-L132 HydrophobicContact CG1-CD1 4.01Å; I101-R134 HydrophobicContact CG2-CB 3.64Å; I101-R134 HydrophobicContact CG2-CG 4.48Å; I101-H136 PolarHBondContact O-ND1 2.74Å
102H87.2Confident87.6Confident72 Ų7245.8 Ų45.833%0.33324%0.236SC..SBendtrans-88.7112.8179.7-62.1-81.7000110.5T73 I99 V100 D104 E105 L106T73-H102 VanDerWaalsContact CG2-CD2 3.45Å; T73-H102 WeakPolarHBondContact CG2-CD2 2.94Å; T73-H102 VanDerWaalsContact CG2-NE2 3.34Å; T73-H102 WeakPolarHBondContact CG2-NE2 3.35Å; I99-H102 WeakPolarHBondContact O-CB 3.45Å; I99-H102 PolarHBondContact O-N 2.67Å; V100-H102 PolarHBondContact O-N 3.18Å; H102-D104 VanDerWaalsContact C-N 3.31Å; H102-D104 PolarHBondContact O-N 3.31Å; H102-E105 HydrophobicContact CB-CB 4.28Å; H102-E105 HydrophobicContact CB-CG 4.06Å; H102-E105 PolarHBondContact O-N 3.09Å; H102-L106 PolarHBondContact O-N 3.29Å
103A84.5Confident87.7Confident55 Ų5545.9 Ų45.946%0.45524%0.236SC..Hα-helixtrans-59.9-38.7-175.800000113.6E105 L106 H136A103-E105 PolarHBondContact O-N 3.34Å; A103-L106 PolarHBondContact O-N 3.06Å; A103-H136 WeakPolarHBondContact CA-NE2 3.42Å
104D87.6Confident87.8Confident155 Ų15546.7 Ų46.783%0.82924%0.24SC*.Hα-helixtrans-65.8-23.5-177.9-54.8-30.7000112.9H102H102-D104 VanDerWaalsContact C-N 3.31Å; H102-D104 PolarHBondContact O-N 3.31Å
105E87.6Confident88Confident44 Ų4450.3 Ų50.321%0.20626%0.26CS..Hα-helixtrans-97.7-9.8-174.9-59.4-69.7-173.100112.8K77 I99 H102 A103 L109K77-E105 HydrophobicContact CD-CG 4.48Å; K77-E105 VanDerWaalsContact CD-OE2 3.29Å; K77-E105 WeakPolarHBondContact CD-OE2 3.49Å; K77-E105 WeakPolarHBondContact CE-OE2 3.37Å; K77-E105 IonicContact NZ-OE2 3.79Å; K77-E105 PolarHBondContact NZ-OE2 3.31Å; I99-E105 HydrophobicContact CG2-CB 3.95Å; H102-E105 HydrophobicContact CB-CB 4.28Å; H102-E105 HydrophobicContact CB-CG 4.06Å; H102-E105 PolarHBondContact O-N 3.09Å; A103-E105 PolarHBondContact O-N 3.34Å; E105-L109 WeakPolarHBondContact O-CB 3.48Å; E105-L109 PolarHBondContact O-N 2.9Å; E105-L109 VanDerWaalsContact O-N 3.16Å
106L88.9Confident88.2Confident7 Ų754.4 Ų54.44%0.03728%0.275CS..Hα-helixtrans-64.7-43.5-175.6-178.663.2000111.8V100 H102 A103 L109 M110 L126 M139 E142V100-L106 HydrophobicContact CB-CD1 4.48Å; V100-L106 HydrophobicContact CG1-CD1 4.06Å; V100-L106 HydrophobicContact CG2-CD1 4.01Å; H102-L106 PolarHBondContact O-N 3.29Å; A103-L106 PolarHBondContact O-N 3.06Å; L106-L109 PolarHBondContact O-N 3.44Å; L106-M110 HydrophobicContact CD1-CG 4.37Å; L106-M110 HydrophobicContact CD1-SD 4.34Å; L106-M110 HydrophobicContact CG-SD 4.15Å; L106-M110 WeakPolarHBondContact O-CB 3.46Å; L106-M110 VanDerWaalsContact O-CG 3.26Å; L106-M110 WeakPolarHBondContact O-CG 3.36Å; L106-M110 PolarHBondContact O-N 2.97Å; L106-L126 HydrophobicContact CD1-CD2 4.19Å; L106-M139 HydrophobicContact CD2-CG 4.33Å; L106-E142 HydrophobicContact CD2-CG 4.02Å
107E88.5Confident88.2Confident152 Ų15256.2 Ų56.271%0.7129%0.294SS*.Hα-helixtrans-63.5-45.7-177.6-174.7170.5-166.900111.6M110 C111E107-M110 PolarHBondContact O-N 3.07Å; E107-C111 PolarHBondContact O-N 2.84Å; E107-C111 PolarHBondContact O-SG 3.37Å; E107-C111 VanDerWaalsContact O-SG 3.37Å
108E90.3Very high88.3Confident99 Ų9957.1 Ų57.146%0.46330%0.295SS..Hα-helixtrans-65.5-42.6178.8-168.6-174.3138.300111.9K77 M110 C111 Y112K77-E108 VanDerWaalsContact CE-OE1 3.26Å; K77-E108 WeakPolarHBondContact CE-OE1 3.49Å; K77-E108 IonicContact NZ-OE1 3.54Å; K77-E108 PolarHBondContact NZ-OE1 3.44Å; K77-E108 IonicContact NZ-OE2 2.87Å; K77-E108 PolarHBondContact NZ-OE2 3.1Å; E108-M110 VanDerWaalsContact C-N 3.29Å; E108-M110 PolarHBondContact O-N 3.17Å; E108-C111 PolarHBondContact O-N 2.96Å; E108-Y112 PolarHBondContact O-N 3.49Å; E108-Y112 VanDerWaalsContact O-N 3.13Å
109L89.4Confident88.4Confident1 Ų156.6 Ų56.61%0.00529%0.292CS..Hα-helixtrans-58.3-45.1175.2-176.368.6000110.6F81 M84 I99 V100 E105 L106 Y112 Y113F81-L109 HydrophobicContact CD1-CD1 4.49Å; F81-L109 HydrophobicContact CE1-CD1 3.79Å; M84-L109 HydrophobicContact CE-CD1 4.41Å; I99-L109 HydrophobicContact CB-CD2 4.4Å; I99-L109 HydrophobicContact CD1-CD1 4.31Å; I99-L109 HydrophobicContact CG2-CD2 4.22Å; V100-L109 HydrophobicContact CG2-CD2 3.4Å; E105-L109 WeakPolarHBondContact O-CB 3.48Å; E105-L109 PolarHBondContact O-N 2.9Å; E105-L109 VanDerWaalsContact O-N 3.16Å; L106-L109 PolarHBondContact O-N 3.44Å; L109-Y112 PolarHBondContact O-N 2.86Å; L109-Y113 HydrophobicContact CD1-CD2 4.04Å; L109-Y113 HydrophobicContact CD1-CE2 3.7Å; L109-Y113 HydrophobicContact CG-CD2 4.07Å; L109-Y113 HydrophobicContact CG-CE2 4.01Å; L109-Y113 WeakPolarHBondContact O-CD2 3.41Å; L109-Y113 PolarHBondContact O-N 3.09Å; L109-Y113 VanDerWaalsContact O-N 3.08Å
110M88.1Confident88.5Confident6 Ų661 Ų613%0.0331%0.313CS..Hα-helixtrans-64.3-46.3-179.9-75.6-176.964.400113L106 E107 E108 Y112 Y113 Q114 L122 E142L106-M110 HydrophobicContact CD1-CG 4.37Å; L106-M110 HydrophobicContact CD1-SD 4.34Å; L106-M110 HydrophobicContact CG-SD 4.15Å; L106-M110 WeakPolarHBondContact O-CB 3.46Å; L106-M110 VanDerWaalsContact O-CG 3.26Å; L106-M110 WeakPolarHBondContact O-CG 3.36Å; L106-M110 PolarHBondContact O-N 2.97Å; E107-M110 PolarHBondContact O-N 3.07Å; E108-M110 VanDerWaalsContact C-N 3.29Å; E108-M110 PolarHBondContact O-N 3.17Å; M110-Y112 PolarHBondContact O-N 3.44Å; M110-Y113 PolarHBondContact O-N 3.27Å; M110-Y113 VanDerWaalsContact O-N 3.17Å; M110-Q114 WeakPolarHBondContact O-CB 3.29Å; M110-Q114 VanDerWaalsContact O-CG 3.24Å; M110-Q114 WeakPolarHBondContact O-CG 3.5Å; M110-Q114 PolarHBondContact O-N 2.88Å; M110-L122 HydrophobicContact CG-CD1 4.33Å; M110-L122 HydrophobicContact CG-CD2 4.29Å; M110-E142 HydrophobicContact CE-CB 3.69Å; M110-E142 HydrophobicContact CE-CG 3.97Å; M110-E142 VanDerWaalsContact CE-OE2 3.24Å; M110-E142 WeakPolarHBondContact CE-OE2 3.34Å; M110-E142 HydrophobicContact SD-CB 3.44Å; M110-E142 WeakPolarHBondContact SD-CB 3.43Å; M110-E142 HydrophobicContact SD-CG 3.39Å; M110-E142 WeakPolarHBondContact SD-CG 3.35Å
111C89.4Confident88.5Confident58 Ų5863.6 Ų63.639%0.39233%0.325SS..Hα-helixtrans-54.5-44.1175.8-70.70000110.7E107 E108 Y113 Q114 D115E107-C111 PolarHBondContact O-N 2.84Å; E107-C111 PolarHBondContact O-SG 3.37Å; E107-C111 VanDerWaalsContact O-SG 3.37Å; E108-C111 PolarHBondContact O-N 2.96Å; C111-Y113 PolarHBondContact O-N 3.31Å; C111-Q114 PolarHBondContact O-N 3.29Å; C111-D115 WeakPolarHBondContact O-CB 3.49Å; C111-D115 PolarHBondContact O-N 3.05Å
112Y89.4Confident88.7Confident45 Ų4562 Ų6218%0.17632%0.317CS..Hα-helixtrans-63.9-40.8178.8-167.1-84.9000113.5F81 M84 D85 E108 L109 M110 R116F81-Y112 HydrophobicContact CB-CE1 3.91Å; F81-Y112 HydrophobicContact CB-CE2 4.03Å; F81-Y112 WeakPolarHBondContact CB-OH 3.36Å; F81-Y112 AromaticContact CD1-CD1 3.63Å; F81-Y112 HydrophobicContact CD1-CD1 3.63Å; F81-Y112 HydrophobicContact CD1-CD2 4.1Å; F81-Y112 AromaticContact CD1-CE1 3.77Å; F81-Y112 HydrophobicContact CD1-CE1 3.77Å; F81-Y112 HydrophobicContact CD1-CE2 4.23Å; F81-Y112 AromaticContact CD1-CG 3.76Å; F81-Y112 HydrophobicContact CD1-CG 3.76Å; F81-Y112 HydrophobicContact CD2-CD2 4.05Å; F81-Y112 AromaticContact CD2-CE2 3.93Å; F81-Y112 HydrophobicContact CD2-CE2 3.93Å; F81-Y112 AromaticContact CE1-CD1 3.9Å; F81-Y112 HydrophobicContact CE1-CD1 3.9Å; F81-Y112 HydrophobicContact CE1-CD2 4.11Å; F81-Y112 HydrophobicContact CE1-CE1 4.48Å; F81-Y112 AromaticContact CE1-CG 3.66Å; F81-Y112 HydrophobicContact CE1-CG 3.66Å; F81-Y112 HydrophobicContact CE2-CD2 4.1Å; F81-Y112 HydrophobicContact CE2-CE2 4.43Å; F81-Y112 HydrophobicContact CE2-CG 4.45Å; F81-Y112 HydrophobicContact CG-CD1 4.16Å; F81-Y112 HydrophobicContact CG-CD2 4.04Å; F81-Y112 AromaticContact CG-CE1 3.93Å; F81-Y112 HydrophobicContact CG-CE1 3.93Å; F81-Y112 AromaticContact CG-CE2 3.81Å; F81-Y112 HydrophobicContact CG-CE2 3.81Å; F81-Y112 HydrophobicContact CG-CG 4.18Å; F81-Y112 AromaticContact CG-CZ 3.71Å; F81-Y112 HydrophobicContact CZ-CD2 4.12Å; F81-Y112 HydrophobicContact CZ-CG 4.03Å; F81-Y112 PolarHBondContact O-OH 3.05Å; F81-Y112 VanDerWaalsContact O-OH 3.09Å; M84-Y112 HydrophobicContact CB-CE1 4.15Å; M84-Y112 HydrophobicContact CE-CD1 3.27Å; M84-Y112 HydrophobicContact CE-CE1 3.47Å; M84-Y112 VanDerWaalsContact CE-CE1 3.47Å; M84-Y112 HydrophobicContact CE-CG 4.38Å; M84-Y112 HydrophobicContact SD-CD1 3.92Å; M84-Y112 HydrophobicContact SD-CE1 4.06Å; D85-Y112 PolarHBondContact OD2-OH 2.92Å; D85-Y112 VanDerWaalsContact OD2-OH 3.06Å; E108-Y112 PolarHBondContact O-N 3.49Å; E108-Y112 VanDerWaalsContact O-N 3.13Å; L109-Y112 PolarHBondContact O-N 2.86Å; M110-Y112 PolarHBondContact O-N 3.44Å; Y112-R116 VanDerWaalsContact CE1-CZ 3.5Å; Y112-R116 VanDerWaalsContact CZ-NE 3.3Å; Y112-R116 VanDerWaalsContact CZ-NH2 3.34Å; Y112-R116 WeakPolarHBondContact O-CD 3.42Å; Y112-R116 WeakPolarHBondContact O-CG 3.26Å; Y112-R116 PolarHBondContact OH-NH2 2.91Å
113Y89.3Confident89Confident3 Ų358.6 Ų58.61%0.01230%0.301CS..Hα-helixtrans-66.7-38.7174-90.7-96.6000112M84 L109 M110 C111 G117 Y118 E121 L122 L125M84-Y113 HydrophobicContact CE-CD2 3.77Å; M84-Y113 HydrophobicContact CE-CE2 3.39Å; M84-Y113 HydrophobicContact CG-CE1 4.45Å; M84-Y113 HydrophobicContact SD-CD1 3.81Å; M84-Y113 HydrophobicContact SD-CD2 3.51Å; M84-Y113 VanDerWaalsContact SD-CD2 3.51Å; M84-Y113 HydrophobicContact SD-CE1 3.53Å; M84-Y113 VanDerWaalsContact SD-CE1 3.53Å; M84-Y113 HydrophobicContact SD-CE2 3.21Å; M84-Y113 WeakPolarHBondContact SD-CE2 3.41Å; M84-Y113 HydrophobicContact SD-CG 3.8Å; L109-Y113 HydrophobicContact CD1-CD2 4.04Å; L109-Y113 HydrophobicContact CD1-CE2 3.7Å; L109-Y113 HydrophobicContact CG-CD2 4.07Å; L109-Y113 HydrophobicContact CG-CE2 4.01Å; L109-Y113 WeakPolarHBondContact O-CD2 3.41Å; L109-Y113 PolarHBondContact O-N 3.09Å; L109-Y113 VanDerWaalsContact O-N 3.08Å; M110-Y113 PolarHBondContact O-N 3.27Å; M110-Y113 VanDerWaalsContact O-N 3.17Å; C111-Y113 PolarHBondContact O-N 3.31Å; Y113-G117 PolarHBondContact O-N 3.42Å; Y113-Y118 PolarHBondContact O-N 3.15Å; Y113-Y118 VanDerWaalsContact O-N 3.08Å; Y113-E121 HydrophobicContact CE1-CB 4.25Å; Y113-L122 HydrophobicContact CD1-CB 3.78Å; Y113-L122 HydrophobicContact CD1-CD1 4.33Å; Y113-L122 HydrophobicContact CD2-CD1 4.15Å; Y113-L122 HydrophobicContact CE1-CB 4.44Å; Y113-L122 HydrophobicContact CG-CB 4.11Å; Y113-L122 HydrophobicContact CG-CD1 3.98Å; Y113-L122 HydrophobicContact CG-CG 4.44Å; Y113-L125 WeakPolarHBondContact OH-CD1 3.48Å
114Q88.2Confident89.3Confident73 Ų7359.2 Ų59.234%0.34130%0.296SS..Hα-helixtrans-72.4-42.7-177.7-71.1178.68.500112.5M110 C111 R116 G117 F119M110-Q114 WeakPolarHBondContact O-CB 3.29Å; M110-Q114 VanDerWaalsContact O-CG 3.24Å; M110-Q114 WeakPolarHBondContact O-CG 3.5Å; M110-Q114 PolarHBondContact O-N 2.88Å; C111-Q114 PolarHBondContact O-N 3.29Å; Q114-R116 PolarHBondContact O-N 3.42Å; Q114-R116 VanDerWaalsContact O-N 3.12Å; Q114-G117 PolarHBondContact O-N 2.8Å; Q114-F119 HydrophobicContact CB-CE1 4.11Å; Q114-F119 HydrophobicContact CG-CD1 4.38Å; Q114-F119 HydrophobicContact CG-CE1 3.98Å
115D91.1Very high89.4Confident143 Ų14351.9 Ų51.977%0.76526%0.257SS*.Hα-helixtrans-59-26.9178.7-72.6-19000112.2C111C111-D115 WeakPolarHBondContact O-CB 3.49Å; C111-D115 PolarHBondContact O-N 3.05Å
116R88Confident89.5Confident85 Ų8549.8 Ų49.832%0.32125%0.247SC..THydrogen-bonded Turntrans-95.7-9179.1-64.6174.3173.5-121.9-12.9114.2D85 Y112 Q114 Y118D85-R116 VanDerWaalsContact CA-NH1 3.3Å; D85-R116 VanDerWaalsContact CG-NH2 3.33Å; D85-R116 IonicContact OD1-CZ 2.62Å; D85-R116 IonicContact OD1-NH1 2.75Å; D85-R116 PolarHBondContact OD1-NH1 2.93Å; D85-R116 IonicContact OD1-NH2 3.85Å; D85-R116 PolarHBondContact OD1-NH2 3.38Å; D85-R116 IonicContact OD2-NH1 3.67Å; D85-R116 IonicContact OD2-NH2 2.64Å; D85-R116 PolarHBondContact OD2-NH2 3.22Å; Y112-R116 VanDerWaalsContact CE1-CZ 3.5Å; Y112-R116 VanDerWaalsContact CZ-NE 3.3Å; Y112-R116 VanDerWaalsContact CZ-NH2 3.34Å; Y112-R116 WeakPolarHBondContact O-CD 3.42Å; Y112-R116 WeakPolarHBondContact O-CG 3.26Å; Y112-R116 PolarHBondContact OH-NH2 2.91Å; Q114-R116 PolarHBondContact O-N 3.42Å; Q114-R116 VanDerWaalsContact O-N 3.12Å; R116-Y118 HydrophobicContact CB-CD2 3.52Å; R116-Y118 HydrophobicContact CB-CE2 3.65Å; R116-Y118 HydrophobicContact CB-CG 4.39Å; R116-Y118 HydrophobicContact CG-CE2 4.4Å
117G88.2Confident89.6Confident38 Ų3852 Ų5239%0.39226%0.257SS..THydrogen-bonded Turntrans76.416-179.300000115.5Y113 Q114 F119Y113-G117 PolarHBondContact O-N 3.42Å; Q114-G117 PolarHBondContact O-N 2.8Å; G117-F119 VanDerWaalsContact C-N 3.25Å; G117-F119 VanDerWaalsContact O-CD2 3.27Å; G117-F119 WeakPolarHBondContact O-CD2 3.28Å; G117-F119 PolarHBondContact O-N 3.15Å
118Y90.3Very high89.7Confident58 Ų5846.9 Ų46.923%0.22724%0.241CC..  trans-84.959.8-179.9-61.9-52.8000112.2F89 Y113 R116 L122F89-Y118 AromaticContact CE1-CD1 3.79Å; F89-Y118 HydrophobicContact CE1-CD1 3.79Å; F89-Y118 HydrophobicContact CE1-CD2 4.17Å; F89-Y118 AromaticContact CE1-CE1 3.85Å; F89-Y118 HydrophobicContact CE1-CE1 3.85Å; F89-Y118 HydrophobicContact CE1-CE2 4.2Å; F89-Y118 AromaticContact CE1-CG 3.98Å; F89-Y118 HydrophobicContact CE1-CG 3.98Å; F89-Y118 AromaticContact CZ-CD1 3.88Å; F89-Y118 HydrophobicContact CZ-CD1 3.88Å; F89-Y118 AromaticContact CZ-CE1 3.59Å; F89-Y118 HydrophobicContact CZ-CE1 3.59Å; F89-Y118 AromaticContact CZ-CZ 3.97Å; Y113-Y118 PolarHBondContact O-N 3.15Å; Y113-Y118 VanDerWaalsContact O-N 3.08Å; R116-Y118 HydrophobicContact CB-CD2 3.52Å; R116-Y118 HydrophobicContact CB-CE2 3.65Å; R116-Y118 HydrophobicContact CB-CG 4.39Å; R116-Y118 HydrophobicContact CG-CE2 4.4Å; Y118-L122 PolarHBondContact O-N 3.22Å
119F88.9Confident89.7Confident61 Ų6142.2 Ų42.227%0.26822%0.219SC..Hα-helixtrans-71.5-37.6-174.4-52.6-69.7000113.7Q114 G117 L122 I123 F150Q114-F119 HydrophobicContact CB-CE1 4.11Å; Q114-F119 HydrophobicContact CG-CD1 4.38Å; Q114-F119 HydrophobicContact CG-CE1 3.98Å; G117-F119 VanDerWaalsContact C-N 3.25Å; G117-F119 VanDerWaalsContact O-CD2 3.27Å; G117-F119 WeakPolarHBondContact O-CD2 3.28Å; G117-F119 PolarHBondContact O-N 3.15Å; F119-L122 PolarHBondContact O-N 3.04Å; F119-I123 VanDerWaalsContact O-CG1 3.27Å; F119-I123 WeakPolarHBondContact O-CG1 3.27Å; F119-I123 PolarHBondContact O-N 3.09Å; F119-F150 HydrophobicContact CB-CD1 4.39Å; F119-F150 HydrophobicContact CB-CD2 4.09Å; F119-F150 HydrophobicContact CB-CE1 4.17Å; F119-F150 HydrophobicContact CB-CE2 3.86Å; F119-F150 HydrophobicContact CB-CG 4.36Å; F119-F150 HydrophobicContact CB-CZ 3.91Å; F119-F150 HydrophobicContact CD1-CD2 4.5Å; F119-F150 HydrophobicContact CD1-CE1 4.26Å; F119-F150 AromaticContact CD1-CE2 3.49Å; F119-F150 HydrophobicContact CD1-CE2 3.49Å; F119-F150 VanDerWaalsContact CD1-CE2 3.49Å; F119-F150 AromaticContact CD1-CZ 3.35Å; F119-F150 HydrophobicContact CD1-CZ 3.35Å; F119-F150 AromaticContact CD2-CE1 3.68Å; F119-F150 HydrophobicContact CD2-CE1 3.68Å; F119-F150 HydrophobicContact CD2-CE2 4.37Å; F119-F150 AromaticContact CD2-CZ 3.58Å; F119-F150 HydrophobicContact CD2-CZ 3.58Å; F119-F150 HydrophobicContact CE1-CE2 4.11Å; F119-F150 AromaticContact CE1-CZ 3.65Å; F119-F150 HydrophobicContact CE1-CZ 3.65Å; F119-F150 HydrophobicContact CE2-CE1 4.09Å; F119-F150 AromaticContact CE2-CZ 3.87Å; F119-F150 HydrophobicContact CE2-CZ 3.87Å; F119-F150 HydrophobicContact CG-CD1 4.47Å; F119-F150 HydrophobicContact CG-CD2 4.36Å; F119-F150 AromaticContact CG-CE1 3.77Å; F119-F150 HydrophobicContact CG-CE1 3.77Å; F119-F150 AromaticContact CG-CE2 3.65Å; F119-F150 HydrophobicContact CG-CE2 3.65Å; F119-F150 AromaticContact CG-CZ 3.31Å; F119-F150 HydrophobicContact CG-CZ 3.31Å; F119-F150 AromaticContact CZ-CZ 3.9Å; F119-F150 HydrophobicContact CZ-CZ 3.9Å
120E89.3Confident89.6Confident92 Ų9243.6 Ų43.643%0.4323%0.226SC..Hα-helixtrans-64.3-45.1-179.8-74.5-65.915900112.1L122 I123 L124 K151E120-L122 VanDerWaalsContact C-N 3.35Å; E120-L122 PolarHBondContact O-N 2.86Å; E120-I123 PolarHBondContact O-N 2.75Å; E120-L124 WeakPolarHBondContact O-CG 3.46Å; E120-L124 PolarHBondContact O-N 2.62Å; E120-K151 VanDerWaalsContact OE1-CE 3.25Å; E120-K151 WeakPolarHBondContact OE1-CE 3.5Å; E120-K151 IonicContact OE1-NZ 2.67Å; E120-K151 WeakPolarHBondContact OE2-CE 3.49Å; E120-K151 IonicContact OE2-NZ 2.74Å; E120-K151 PolarHBondContact OE2-NZ 3.12Å
121E88.6Confident89.5Confident55 Ų5546.7 Ų46.726%0.25726%0.26SS..Hα-helixtrans-67.2-36.7178.3-60.5-57.6145.400111.7F89 Y113 L124 L125F89-E121 HydrophobicContact CB-CG 4.24Å; F89-E121 HydrophobicContact CD1-CB 4.42Å; F89-E121 HydrophobicContact CD1-CG 3.77Å; F89-E121 HydrophobicContact CE1-CG 4.28Å; F89-E121 HydrophobicContact CG-CG 3.95Å; Y113-E121 HydrophobicContact CE1-CB 4.25Å; E121-L124 PolarHBondContact O-N 3.33Å; E121-L125 VanDerWaalsContact O-CB 3.25Å; E121-L125 WeakPolarHBondContact O-CB 3.37Å; E121-L125 PolarHBondContact O-N 3.35Å
122L90.6Very high89.4Confident1 Ų146.8 Ų46.81%0.00526%0.256CS..Hα-helixtrans-63.3-42.2173.7-178.661.4000111.6M110 Y113 Y118 F119 E120 L125 L126 L146M110-L122 HydrophobicContact CG-CD1 4.33Å; M110-L122 HydrophobicContact CG-CD2 4.29Å; Y113-L122 HydrophobicContact CD1-CB 3.78Å; Y113-L122 HydrophobicContact CD1-CD1 4.33Å; Y113-L122 HydrophobicContact CD2-CD1 4.15Å; Y113-L122 HydrophobicContact CE1-CB 4.44Å; Y113-L122 HydrophobicContact CG-CB 4.11Å; Y113-L122 HydrophobicContact CG-CD1 3.98Å; Y113-L122 HydrophobicContact CG-CG 4.44Å; Y118-L122 PolarHBondContact O-N 3.22Å; F119-L122 PolarHBondContact O-N 3.04Å; E120-L122 VanDerWaalsContact C-N 3.35Å; E120-L122 PolarHBondContact O-N 2.86Å; L122-L125 PolarHBondContact O-N 3.37Å; L122-L126 HydrophobicContact CD1-CD1 4.48Å; L122-L126 HydrophobicContact CD1-CG 4.47Å; L122-L126 HydrophobicContact CG-CD1 4.43Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 3.34Å; L122-L146 HydrophobicContact CD2-CD1 3.61Å; L122-L146 HydrophobicContact CD2-CD2 4.16Å; L122-L146 HydrophobicContact CG-CD1 3.73Å
123I91.9Very high89Confident0 Ų054.4 Ų54.40%029%0.293CS..Hα-helixtrans-62.7-47.6176.4-69.9165.1000110.3F119 E120 L125 L126 E127 L143 L146 Y147 F150F119-I123 VanDerWaalsContact O-CG1 3.27Å; F119-I123 WeakPolarHBondContact O-CG1 3.27Å; F119-I123 PolarHBondContact O-N 3.09Å; E120-I123 PolarHBondContact O-N 2.75Å; I123-L125 VanDerWaalsContact C-N 3.31Å; I123-L125 PolarHBondContact O-N 2.96Å; I123-L126 PolarHBondContact O-N 3.42Å; I123-E127 HydrophobicContact CG2-CG 4.3Å; I123-E127 WeakPolarHBondContact O-CB 3.12Å; I123-E127 WeakPolarHBondContact O-CG 3.41Å; I123-E127 PolarHBondContact O-N 2.94Å; I123-L143 HydrophobicContact CG2-CD1 4.24Å; I123-L146 HydrophobicContact CD1-CB 4.34Å; I123-L146 HydrophobicContact CG1-CB 3.93Å; I123-L146 HydrophobicContact CG1-CD1 4.11Å; I123-Y147 HydrophobicContact CG2-CD1 4.33Å; I123-Y147 HydrophobicContact CG2-CE1 3.62Å; I123-F150 HydrophobicContact CD1-CB 4.05Å; I123-F150 HydrophobicContact CD1-CD2 4.46Å
124L91.2Very high88.8Confident68 Ų6862.5 Ų62.536%0.35632%0.324SS..Hα-helixtrans-62.6-37.6178-71.9172.7000112.6Q93 E120 E121 A128Q93-L124 PolarHBondContact NE2-O 3.04Å; E120-L124 WeakPolarHBondContact O-CG 3.46Å; E120-L124 PolarHBondContact O-N 2.62Å; E121-L124 PolarHBondContact O-N 3.33Å; L124-A128 WeakPolarHBondContact O-CB 3.12Å; L124-A128 PolarHBondContact O-N 3.47Å; L124-A128 VanDerWaalsContact O-N 3.08Å
125L90.6Very high88.9Confident0 Ų059.5 Ų59.50%031%0.311CS..Hα-helixtrans-64-48.2176-171.6148.8000110.9Q93 V100 Y113 E121 L122 I123 A128 A129Q93-L125 HydrophobicContact CG-CB 4.26Å; Q93-L125 HydrophobicContact CG-CD1 4.41Å; Q93-L125 HydrophobicContact CG-CG 4.3Å; V100-L125 HydrophobicContact CB-CD2 4.38Å; V100-L125 HydrophobicContact CG2-CD2 3.47Å; V100-L125 VanDerWaalsContact CG2-CD2 3.47Å; Y113-L125 WeakPolarHBondContact OH-CD1 3.48Å; E121-L125 VanDerWaalsContact O-CB 3.25Å; E121-L125 WeakPolarHBondContact O-CB 3.37Å; E121-L125 PolarHBondContact O-N 3.35Å; L122-L125 PolarHBondContact O-N 3.37Å; I123-L125 VanDerWaalsContact C-N 3.31Å; I123-L125 PolarHBondContact O-N 2.96Å; L125-A128 PolarHBondContact O-N 3.25Å; L125-A129 VanDerWaalsContact O-CB 3.29Å; L125-A129 WeakPolarHBondContact O-CB 3.41Å; L125-A129 PolarHBondContact O-N 2.88Å
126L90.1Very high88.8Confident0 Ų054.6 Ų54.60%028%0.284CS..Hα-helixtrans-63.7-47.1177.2-72.2176.7000111.1V100 L106 L122 I123 A128 A129 L130 L143 L146V100-L126 HydrophobicContact CG1-CD2 3.99Å; L106-L126 HydrophobicContact CD1-CD2 4.19Å; L122-L126 HydrophobicContact CD1-CD1 4.48Å; L122-L126 HydrophobicContact CD1-CG 4.47Å; L122-L126 HydrophobicContact CG-CD1 4.43Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 3.34Å; I123-L126 PolarHBondContact O-N 3.42Å; L126-A128 VanDerWaalsContact C-N 3.29Å; L126-A128 PolarHBondContact O-N 3.31Å; L126-A129 CarbonylContact O-C 3.57Å; L126-A129 WeakPolarHBondContact O-CA 3.35Å; L126-A129 WeakPolarHBondContact O-CB 3.4Å; L126-A129 PolarHBondContact O-N 3.42Å; L126-L130 VanDerWaalsContact C-CD1 3.44Å; L126-L130 WeakPolarHBondContact O-CD1 3.41Å; L126-L130 PolarHBondContact O-N 2.98Å; L126-L143 HydrophobicContact CB-CB 4.39Å; L126-L143 HydrophobicContact CB-CD1 4Å; L126-L143 HydrophobicContact CD1-CB 4.17Å; L126-L143 HydrophobicContact CD1-CD1 4.36Å; L126-L146 HydrophobicContact CD1-CD1 3.66Å
127E90.4Very high88.9Confident55 Ų5555.3 Ų55.326%0.25729%0.292SS..Hα-helixtrans-49.8-47.1175.5-80.2-178.3-178.600111.8I123 Y147 K154I123-E127 HydrophobicContact CG2-CG 4.3Å; I123-E127 WeakPolarHBondContact O-CB 3.12Å; I123-E127 WeakPolarHBondContact O-CG 3.41Å; I123-E127 PolarHBondContact O-N 2.94Å; E127-Y147 VanDerWaalsContact CD-OH 3.26Å; E127-Y147 WeakPolarHBondContact CG-OH 3.34Å; E127-Y147 PolarHBondContact OE1-OH 3Å; E127-K154 IonicContact OE1-NZ 2.68Å; E127-K154 PolarHBondContact OE1-NZ 3.2Å; E127-K154 IonicContact OE2-NZ 2.83Å
128A90.6Very high89Confident44 Ų4454.6 Ų54.636%0.36428%0.284SS..Hα-helixtrans-68.2-35.9175.300000112.6L97 L124 L125 L126 L130 G131L97-A128 HydrophobicContact CD2-CB 3.98Å; L124-A128 WeakPolarHBondContact O-CB 3.12Å; L124-A128 PolarHBondContact O-N 3.47Å; L124-A128 VanDerWaalsContact O-N 3.08Å; L125-A128 PolarHBondContact O-N 3.25Å; L126-A128 VanDerWaalsContact C-N 3.29Å; L126-A128 PolarHBondContact O-N 3.31Å; A128-L130 VanDerWaalsContact C-N 3.35Å; A128-L130 PolarHBondContact O-N 3.08Å; A128-G131 PolarHBondContact O-N 3.36Å
129A89.3Confident89.1Confident0 Ų051.9 Ų51.90%027%0.274CS..Hα-helixtrans-69.1-28.3-179.400000113L97 V100 L125 L126 G131 L132 M139L97-A129 HydrophobicContact CD2-CB 3.73Å; V100-A129 HydrophobicContact CG1-CB 3.85Å; L125-A129 VanDerWaalsContact O-CB 3.29Å; L125-A129 WeakPolarHBondContact O-CB 3.41Å; L125-A129 PolarHBondContact O-N 2.88Å; L126-A129 CarbonylContact O-C 3.57Å; L126-A129 WeakPolarHBondContact O-CA 3.35Å; L126-A129 WeakPolarHBondContact O-CB 3.4Å; L126-A129 PolarHBondContact O-N 3.42Å; A129-G131 PolarHBondContact O-N 3.02Å; A129-L132 HydrophobicContact CB-CD1 4.37Å; A129-L132 WeakPolarHBondContact O-CB 3.3Å; A129-L132 WeakPolarHBondContact O-CG 3.46Å; A129-L132 PolarHBondContact O-N 3.47Å; A129-L132 VanDerWaalsContact O-N 3.1Å; A129-M139 HydrophobicContact CB-CE 3.23Å; A129-M139 VanDerWaalsContact O-CE 3.25Å; A129-M139 WeakPolarHBondContact O-CE 3.43Å
130L87.8Confident89.2Confident30 Ų3049 Ų4916%0.15726%0.261CS..THydrogen-bonded Turntrans-60.5-27.6174.5-71.298.6000112.9L126 A128 L132 F140 L143 F162L126-L130 VanDerWaalsContact C-CD1 3.44Å; L126-L130 WeakPolarHBondContact O-CD1 3.41Å; L126-L130 PolarHBondContact O-N 2.98Å; A128-L130 VanDerWaalsContact C-N 3.35Å; A128-L130 PolarHBondContact O-N 3.08Å; L130-L132 PolarHBondContact O-N 3.44Å; L130-F140 HydrophobicContact CD2-CD1 3.36Å; L130-F140 HydrophobicContact CD2-CE1 3.36Å; L130-F140 HydrophobicContact CD2-CG 4.31Å; L130-F140 HydrophobicContact CD2-CZ 4.25Å; L130-F140 HydrophobicContact CG-CD1 4.35Å; L130-F140 HydrophobicContact CG-CE1 4.16Å; L130-L143 HydrophobicContact CD1-CD2 3.27Å; L130-L143 HydrophobicContact CD2-CD2 4.17Å; L130-L143 HydrophobicContact CG-CD2 4.35Å; L130-F162 HydrophobicContact CD2-CD2 4.18Å; L130-F162 HydrophobicContact CD2-CE2 3.98Å; L130-F162 HydrophobicContact CD2-CZ 4.28Å
131G86.9Confident89.4Confident71 Ų7144.8 Ų44.873%0.73224%0.242SC*.THydrogen-bonded Turntrans-74.5-7.117800000114.5A128 A129A128-G131 PolarHBondContact O-N 3.36Å; A129-G131 PolarHBondContact O-N 3.02Å
132L87.7Confident89.5Confident60 Ų6043.6 Ų43.631%0.31424%0.237SC..SBendtrans-80.9140-179.8-60.5174.1000111.4L97 I101 A129 L130 R134 A135L97-L132 HydrophobicContact CD2-CD1 4.22Å; I101-L132 HydrophobicContact CD1-CD1 4.16Å; I101-L132 HydrophobicContact CG1-CD1 4.01Å; A129-L132 HydrophobicContact CB-CD1 4.37Å; A129-L132 WeakPolarHBondContact O-CB 3.3Å; A129-L132 WeakPolarHBondContact O-CG 3.46Å; A129-L132 PolarHBondContact O-N 3.47Å; A129-L132 VanDerWaalsContact O-N 3.1Å; L130-L132 PolarHBondContact O-N 3.44Å; L132-R134 PolarHBondContact O-N 3.15Å; L132-R134 VanDerWaalsContact O-N 3.08Å; L132-A135 WeakPolarHBondContact O-CB 3.45Å; L132-A135 PolarHBondContact O-N 3.49Å; L132-A135 VanDerWaalsContact O-N 3.11Å
133E80.6Confident89.6Confident205 Ų20543.6 Ų43.696%0.95824%0.237SC*.THydrogen-bonded Turntrans-58.8-25.9178.9-67-177.3166.600113.5
134R85.2Confident89.6Confident174 Ų17443.6 Ų43.666%0.65724%0.237SC*.THydrogen-bonded Turntrans-96.619.8-179.1-60.4-176.570.9-171.41.7113.8I101 L132I101-R134 HydrophobicContact CG2-CB 3.64Å; I101-R134 HydrophobicContact CG2-CG 4.48Å; L132-R134 PolarHBondContact O-N 3.15Å; L132-R134 VanDerWaalsContact O-N 3.08Å
135A89.1Confident89.7Confident10 Ų1041.3 Ų41.38%0.08322%0.224CC..  trans-63.4135.7177.400000111.7L132 M139 F140 R165L132-A135 WeakPolarHBondContact O-CB 3.45Å; L132-A135 PolarHBondContact O-N 3.49Å; L132-A135 VanDerWaalsContact O-N 3.11Å; A135-M139 HydrophobicContact CB-CE 4.07Å; A135-M139 HydrophobicContact CB-SD 3.97Å; A135-F140 HydrophobicContact CB-CE2 4.11Å; A135-F140 HydrophobicContact CB-CZ 4.21Å; A135-R165 PolarHBondContact O-NH2 3.19Å
136H90.2Very high89.7Confident39 Ų3941.4 Ų41.418%0.18123%0.225CC..  trans-118.7165.7-178.666.9-89.5000111.5V100 I101 A103 G138 M139 F140V100-H136 PolarHBondContact O-CE1 2.82Å; I101-H136 PolarHBondContact O-ND1 2.74Å; A103-H136 WeakPolarHBondContact CA-NE2 3.42Å; H136-G138 VanDerWaalsContact C-N 3.26Å; H136-G138 PolarHBondContact CD2-N 2.89Å; H136-G138 VanDerWaalsContact CD2-N 3.34Å; H136-G138 PolarHBondContact O-N 3.17Å; H136-M139 WeakPolarHBondContact O-CB 3.33Å; H136-M139 PolarHBondContact O-N 2.87Å; H136-M139 VanDerWaalsContact O-N 3.15Å; H136-F140 VanDerWaalsContact O-CD2 3.27Å; H136-F140 WeakPolarHBondContact O-CD2 3.29Å
137M89Confident89.9Confident100 Ų10042.1 Ų42.149%0.49323%0.228SC..Hα-helixtrans-55.6-34.8-172.7174.6-179.8-70.600114.5M139 F140 T141 R165 N167M137-M139 VanDerWaalsContact C-N 3.3Å; M137-M139 PolarHBondContact O-N 3.23Å; M137-F140 PolarHBondContact O-N 3.04Å; M137-T141 PolarHBondContact O-N 3.47Å; M137-T141 VanDerWaalsContact O-N 3.15Å; M137-T141 PolarHBondContact O-OG1 3.23Å; M137-R165 WeakPolarHBondContact CA-O 3.48Å; M137-R165 VanDerWaalsContact CG-O 3.29Å; M137-R165 WeakPolarHBondContact CG-O 3.35Å; M137-N167 HydrophobicContact SD-CB 4.46Å
138G90.6Very high89.9Confident23 Ų2339.7 Ų39.724%0.23722%0.217CC..Hα-helixtrans-54.8-44.8177.900000112.1H136 F140 T141 E142H136-G138 VanDerWaalsContact C-N 3.26Å; H136-G138 PolarHBondContact CD2-N 2.89Å; H136-G138 VanDerWaalsContact CD2-N 3.34Å; H136-G138 PolarHBondContact O-N 3.17Å; G138-F140 PolarHBondContact O-N 3.32Å; G138-T141 PolarHBondContact O-N 3.39Å; G138-E142 WeakPolarHBondContact O-CB 3.38Å; G138-E142 WeakPolarHBondContact O-CG 3.41Å; G138-E142 PolarHBondContact O-N 3.48Å
139M91.8Very high89.9Confident1 Ų143.5 Ų43.51%0.00523%0.225CC..Hα-helixtrans-59-45.7-179.1-58.9169.656.700112.7V100 L106 A129 A135 H136 M137 T141 L143V100-M139 HydrophobicContact CG1-CE 3.52Å; V100-M139 HydrophobicContact CG1-CG 3.71Å; V100-M139 HydrophobicContact CG1-SD 3.75Å; L106-M139 HydrophobicContact CD2-CG 4.33Å; A129-M139 HydrophobicContact CB-CE 3.23Å; A129-M139 VanDerWaalsContact O-CE 3.25Å; A129-M139 WeakPolarHBondContact O-CE 3.43Å; A135-M139 HydrophobicContact CB-CE 4.07Å; A135-M139 HydrophobicContact CB-SD 3.97Å; H136-M139 WeakPolarHBondContact O-CB 3.33Å; H136-M139 PolarHBondContact O-N 2.87Å; H136-M139 VanDerWaalsContact O-N 3.15Å; M137-M139 VanDerWaalsContact C-N 3.3Å; M137-M139 PolarHBondContact O-N 3.23Å; M139-T141 VanDerWaalsContact C-N 3.34Å; M139-L143 VanDerWaalsContact O-CB 3.26Å; M139-L143 WeakPolarHBondContact O-CB 2.95Å; M139-L143 PolarHBondContact O-N 3.23Å
140F92.7Very high89.9Confident1 Ų147.3 Ų47.30%0.00424%0.242CC..Hα-helixtrans-67.7-37.4179.9-59.4-93.2000112L130 A135 H136 M137 G138 A144 H158 F162 R165 V166L130-F140 HydrophobicContact CD2-CD1 3.36Å; L130-F140 HydrophobicContact CD2-CE1 3.36Å; L130-F140 HydrophobicContact CD2-CG 4.31Å; L130-F140 HydrophobicContact CD2-CZ 4.25Å; L130-F140 HydrophobicContact CG-CD1 4.35Å; L130-F140 HydrophobicContact CG-CE1 4.16Å; A135-F140 HydrophobicContact CB-CE2 4.11Å; A135-F140 HydrophobicContact CB-CZ 4.21Å; H136-F140 VanDerWaalsContact O-CD2 3.27Å; H136-F140 WeakPolarHBondContact O-CD2 3.29Å; M137-F140 PolarHBondContact O-N 3.04Å; G138-F140 PolarHBondContact O-N 3.32Å; F140-A144 WeakPolarHBondContact O-CB 3.34Å; F140-A144 PolarHBondContact O-N 3.46Å; F140-A144 VanDerWaalsContact O-N 3.12Å; F140-H158 PolarHBondContact O-NE2 3.19Å; F140-F162 HydrophobicContact CD1-CB 3.65Å; F140-F162 AromaticContact CD1-CD1 3.92Å; F140-F162 HydrophobicContact CD1-CD1 3.92Å; F140-F162 HydrophobicContact CD1-CD2 4.22Å; F140-F162 AromaticContact CD1-CG 3.67Å; F140-F162 HydrophobicContact CD1-CG 3.67Å; F140-F162 HydrophobicContact CE1-CB 4.13Å; F140-F162 AromaticContact CE1-CD1 3.49Å; F140-F162 HydrophobicContact CE1-CD1 3.49Å; F140-F162 VanDerWaalsContact CE1-CD1 3.49Å; F140-F162 HydrophobicContact CE1-CD2 4.39Å; F140-F162 AromaticContact CE1-CE1 3.92Å; F140-F162 HydrophobicContact CE1-CE1 3.92Å; F140-F162 AromaticContact CE1-CG 3.75Å; F140-F162 HydrophobicContact CE1-CG 3.75Å; F140-R165 HydrophobicContact CD2-CB 4.12Å; F140-R165 HydrophobicContact CE2-CB 4.3Å; F140-R165 HydrophobicContact CG-CB 4.35Å; F140-R165 VanDerWaalsContact CZ-CZ 3.48Å; F140-V166 HydrophobicContact CB-CG2 3.48Å; F140-V166 VanDerWaalsContact CB-CG2 3.48Å
141T93.2Very high90.1Very high4 Ų448.3 Ų48.33%0.02525%0.245CC..Hα-helixtrans-68.8-48.2-179.3-54.30000110.7M137 G138 M139 A144 I145 N167 K170 V171M137-T141 PolarHBondContact O-N 3.47Å; M137-T141 VanDerWaalsContact O-N 3.15Å; M137-T141 PolarHBondContact O-OG1 3.23Å; G138-T141 PolarHBondContact O-N 3.39Å; M139-T141 VanDerWaalsContact C-N 3.34Å; T141-A144 WeakPolarHBondContact O-CB 3.44Å; T141-A144 PolarHBondContact O-N 3.04Å; T141-I145 HydrophobicContact CG2-CD1 4.42Å; T141-I145 WeakPolarHBondContact O-CG1 3.44Å; T141-I145 PolarHBondContact O-N 2.98Å; T141-I145 VanDerWaalsContact O-N 3.15Å; T141-N167 HydrophobicContact CG2-CB 3.82Å; T141-N167 PolarHBondContact OG1-N 3.34Å; T141-K170 HydrophobicContact CG2-CB 4.18Å; T141-K170 HydrophobicContact CG2-CD 3.95Å; T141-K170 HydrophobicContact CG2-CG 4.39Å; T141-V171 HydrophobicContact CG2-CG2 3.9Å
142E90.4Very high90.2Very high30 Ų3047.5 Ų47.514%0.1423%0.227CC..Hα-helixtrans-68.5-38.1-180-67.3-51.7144.200112.2L106 M110 G138 A144 I145 L146 K170L106-E142 HydrophobicContact CD2-CG 4.02Å; M110-E142 HydrophobicContact CE-CB 3.69Å; M110-E142 HydrophobicContact CE-CG 3.97Å; M110-E142 VanDerWaalsContact CE-OE2 3.24Å; M110-E142 WeakPolarHBondContact CE-OE2 3.34Å; M110-E142 HydrophobicContact SD-CB 3.44Å; M110-E142 WeakPolarHBondContact SD-CB 3.43Å; M110-E142 HydrophobicContact SD-CG 3.39Å; M110-E142 WeakPolarHBondContact SD-CG 3.35Å; G138-E142 WeakPolarHBondContact O-CB 3.38Å; G138-E142 WeakPolarHBondContact O-CG 3.41Å; G138-E142 PolarHBondContact O-N 3.48Å; E142-A144 VanDerWaalsContact C-N 3.3Å; E142-A144 PolarHBondContact O-N 3.29Å; E142-I145 PolarHBondContact O-N 2.83Å; E142-L146 WeakPolarHBondContact O-CG 3.44Å; E142-L146 PolarHBondContact O-N 2.94Å; E142-K170 IonicContact OE1-NZ 2.67Å; E142-K170 PolarHBondContact OE1-NZ 2.96Å
143L92Very high90.3Very high1 Ų153.4 Ų53.41%0.00525%0.253CS..Hα-helixtrans-60.8-41172.4-178.859.6000111.7I123 L126 L130 M139 I145 L146 Y147I123-L143 HydrophobicContact CG2-CD1 4.24Å; L126-L143 HydrophobicContact CB-CB 4.39Å; L126-L143 HydrophobicContact CB-CD1 4Å; L126-L143 HydrophobicContact CD1-CB 4.17Å; L126-L143 HydrophobicContact CD1-CD1 4.36Å; L130-L143 HydrophobicContact CD1-CD2 3.27Å; L130-L143 HydrophobicContact CD2-CD2 4.17Å; L130-L143 HydrophobicContact CG-CD2 4.35Å; M139-L143 VanDerWaalsContact O-CB 3.26Å; M139-L143 WeakPolarHBondContact O-CB 2.95Å; M139-L143 PolarHBondContact O-N 3.23Å; L143-I145 VanDerWaalsContact C-N 3.31Å; L143-I145 PolarHBondContact O-N 3.02Å; L143-L146 PolarHBondContact O-N 3.45Å; L143-Y147 HydrophobicContact CD1-CD1 4.22Å; L143-Y147 HydrophobicContact CD1-CD2 4.34Å; L143-Y147 HydrophobicContact CD1-CE1 3.84Å; L143-Y147 HydrophobicContact CD1-CE2 3.95Å; L143-Y147 HydrophobicContact CD1-CG 4.48Å; L143-Y147 HydrophobicContact CD2-CE2 3.79Å; L143-Y147 HydrophobicContact CG-CD2 3.98Å; L143-Y147 HydrophobicContact CG-CE1 4.43Å; L143-Y147 HydrophobicContact CG-CE2 3.61Å; L143-Y147 PolarHBondContact O-N 3.4Å
144A92.8Very high90.7Very high0 Ų047.4 Ų47.40%022%0.223CC..Hα-helixtrans-62.2-38176.600000112.2F140 T141 E142 L146 Y147 S148 L159 V171F140-A144 WeakPolarHBondContact O-CB 3.34Å; F140-A144 PolarHBondContact O-N 3.46Å; F140-A144 VanDerWaalsContact O-N 3.12Å; T141-A144 WeakPolarHBondContact O-CB 3.44Å; T141-A144 PolarHBondContact O-N 3.04Å; E142-A144 VanDerWaalsContact C-N 3.3Å; E142-A144 PolarHBondContact O-N 3.29Å; A144-L146 VanDerWaalsContact C-N 3.32Å; A144-Y147 PolarHBondContact O-N 3.27Å; A144-S148 PolarHBondContact O-N 3.22Å; A144-L159 HydrophobicContact CB-CD2 4.39Å; A144-V171 HydrophobicContact CB-CG1 3.94Å; A144-V171 HydrophobicContact CB-CG2 3.89Å
145I92Very high91Very high19 Ų1939.1 Ų39.110%0.09719%0.192CC..Hα-helixtrans-66.5-35.3176-63.9165.4000111.3T141 E142 L143 S148 K170 A174T141-I145 HydrophobicContact CG2-CD1 4.42Å; T141-I145 WeakPolarHBondContact O-CG1 3.44Å; T141-I145 PolarHBondContact O-N 2.98Å; T141-I145 VanDerWaalsContact O-N 3.15Å; E142-I145 PolarHBondContact O-N 2.83Å; L143-I145 VanDerWaalsContact C-N 3.31Å; L143-I145 PolarHBondContact O-N 3.02Å; I145-S148 PolarHBondContact O-OG 3.13Å; I145-K170 HydrophobicContact CD1-CD 4Å; I145-K170 HydrophobicContact CD1-CG 4.09Å; I145-A174 HydrophobicContact CB-CB 4.41Å; I145-A174 HydrophobicContact CG1-CB 3.87Å; I145-A174 HydrophobicContact CG2-CB 4.28Å
146L91.6Very high90.9Very high3 Ų340.9 Ų40.92%0.01620%0.2CC..Hα-helixtrans-72-41.8174.7-66173.4000111.6L122 I123 L126 E142 L143 A144 S148 K149 F150L122-L146 HydrophobicContact CD2-CD1 3.61Å; L122-L146 HydrophobicContact CD2-CD2 4.16Å; L122-L146 HydrophobicContact CG-CD1 3.73Å; I123-L146 HydrophobicContact CD1-CB 4.34Å; I123-L146 HydrophobicContact CG1-CB 3.93Å; I123-L146 HydrophobicContact CG1-CD1 4.11Å; L126-L146 HydrophobicContact CD1-CD1 3.66Å; E142-L146 WeakPolarHBondContact O-CG 3.44Å; E142-L146 PolarHBondContact O-N 2.94Å; L143-L146 PolarHBondContact O-N 3.45Å; A144-L146 VanDerWaalsContact C-N 3.32Å; L146-S148 VanDerWaalsContact C-N 3.3Å; L146-S148 PolarHBondContact O-N 3.34Å; L146-K149 PolarHBondContact O-N 3.16Å; L146-F150 HydrophobicContact CD2-CD2 4.31Å; L146-F150 HydrophobicContact CD2-CE2 4.08Å; L146-F150 WeakPolarHBondContact O-CD2 3.3Å; L146-F150 PolarHBondContact O-N 3.44Å
147Y93.6Very high91Very high14 Ų1445 Ų456%0.05522%0.219CC..Hα-helixtrans-61.5-38.7175-74-25000112.3I123 E127 L143 A144 K149 K151 K154 H158I123-Y147 HydrophobicContact CG2-CD1 4.33Å; I123-Y147 HydrophobicContact CG2-CE1 3.62Å; E127-Y147 VanDerWaalsContact CD-OH 3.26Å; E127-Y147 WeakPolarHBondContact CG-OH 3.34Å; E127-Y147 PolarHBondContact OE1-OH 3Å; L143-Y147 HydrophobicContact CD1-CD1 4.22Å; L143-Y147 HydrophobicContact CD1-CD2 4.34Å; L143-Y147 HydrophobicContact CD1-CE1 3.84Å; L143-Y147 HydrophobicContact CD1-CE2 3.95Å; L143-Y147 HydrophobicContact CD1-CG 4.48Å; L143-Y147 HydrophobicContact CD2-CE2 3.79Å; L143-Y147 HydrophobicContact CG-CD2 3.98Å; L143-Y147 HydrophobicContact CG-CE1 4.43Å; L143-Y147 HydrophobicContact CG-CE2 3.61Å; L143-Y147 PolarHBondContact O-N 3.4Å; A144-Y147 PolarHBondContact O-N 3.27Å; Y147-K149 PolarHBondContact O-N 3.23Å; Y147-K151 HydrophobicContact CD1-CB 4.08Å; Y147-K151 CarbonylContact O-C 3.54Å; Y147-K151 PolarHBondContact O-N 3.06Å; Y147-K154 HydrophobicContact CD1-CB 4.43Å; Y147-K154 HydrophobicContact CE1-CB 4.26Å; Y147-K154 HydrophobicContact CE1-CD 4.08Å; Y147-K154 HydrophobicContact CE2-CB 4.4Å; Y147-H158 HydrophobicContact CD2-CB 3.87Å; Y147-H158 AromaticContact CD2-CG 3.95Å; Y147-H158 HydrophobicContact CE2-CB 3.78Å; Y147-H158 AromaticContact CE2-CG 3.83Å
148S91.9Very high91.2Very high4 Ų440.8 Ų40.83%0.02820%0.198CC..Hα-helixtrans-61-35.2178.978.40000112.8A144 I145 L146 M155 A174 A178A144-S148 PolarHBondContact O-N 3.22Å; I145-S148 PolarHBondContact O-OG 3.13Å; L146-S148 VanDerWaalsContact C-N 3.3Å; L146-S148 PolarHBondContact O-N 3.34Å; S148-M155 VanDerWaalsContact CA-SD 3.54Å; S148-M155 VanDerWaalsContact CB-SD 3.51Å; S148-A174 PolarHBondContact OG-O 3.25Å; S148-A178 WeakPolarHBondContact O-CB 3.38Å
149K89.4Confident91.2Very high125 Ų12539.7 Ų39.754%0.54319%0.187SC..Hα-helixtrans-87.6-39.8-178.2-65.3179-178.4179.60113.9L146 Y147L146-K149 PolarHBondContact O-N 3.16Å; Y147-K149 PolarHBondContact O-N 3.23Å
150F89.8Confident91.2Very high80 Ų8044.7 Ų44.735%0.35121%0.211SC..Hα-helixtrans-112.9-31.8-166.5-60.2-69.8000114.1F119 I123 L146F119-F150 HydrophobicContact CB-CD1 4.39Å; F119-F150 HydrophobicContact CB-CD2 4.09Å; F119-F150 HydrophobicContact CB-CE1 4.17Å; F119-F150 HydrophobicContact CB-CE2 3.86Å; F119-F150 HydrophobicContact CB-CG 4.36Å; F119-F150 HydrophobicContact CB-CZ 3.91Å; F119-F150 HydrophobicContact CD1-CD2 4.5Å; F119-F150 HydrophobicContact CD1-CE1 4.26Å; F119-F150 AromaticContact CD1-CE2 3.49Å; F119-F150 HydrophobicContact CD1-CE2 3.49Å; F119-F150 VanDerWaalsContact CD1-CE2 3.49Å; F119-F150 AromaticContact CD1-CZ 3.35Å; F119-F150 HydrophobicContact CD1-CZ 3.35Å; F119-F150 AromaticContact CD2-CE1 3.68Å; F119-F150 HydrophobicContact CD2-CE1 3.68Å; F119-F150 HydrophobicContact CD2-CE2 4.37Å; F119-F150 AromaticContact CD2-CZ 3.58Å; F119-F150 HydrophobicContact CD2-CZ 3.58Å; F119-F150 HydrophobicContact CE1-CE2 4.11Å; F119-F150 AromaticContact CE1-CZ 3.65Å; F119-F150 HydrophobicContact CE1-CZ 3.65Å; F119-F150 HydrophobicContact CE2-CE1 4.09Å; F119-F150 AromaticContact CE2-CZ 3.87Å; F119-F150 HydrophobicContact CE2-CZ 3.87Å; F119-F150 HydrophobicContact CG-CD1 4.47Å; F119-F150 HydrophobicContact CG-CD2 4.36Å; F119-F150 AromaticContact CG-CE1 3.77Å; F119-F150 HydrophobicContact CG-CE1 3.77Å; F119-F150 AromaticContact CG-CE2 3.65Å; F119-F150 HydrophobicContact CG-CE2 3.65Å; F119-F150 AromaticContact CG-CZ 3.31Å; F119-F150 HydrophobicContact CG-CZ 3.31Å; F119-F150 AromaticContact CZ-CZ 3.9Å; F119-F150 HydrophobicContact CZ-CZ 3.9Å; I123-F150 HydrophobicContact CD1-CB 4.05Å; I123-F150 HydrophobicContact CD1-CD2 4.46Å; L146-F150 HydrophobicContact CD2-CD2 4.31Å; L146-F150 HydrophobicContact CD2-CE2 4.08Å; L146-F150 WeakPolarHBondContact O-CD2 3.3Å; L146-F150 PolarHBondContact O-N 3.44Å
151K91.1Very high91.2Very high51 Ų5150.6 Ų50.622%0.22224%0.241CC..  trans-138.771.3-177.7-66.3-174.4-178.9169.90112.3E120 Y147 Q153 K154E120-K151 VanDerWaalsContact OE1-CE 3.25Å; E120-K151 WeakPolarHBondContact OE1-CE 3.5Å; E120-K151 IonicContact OE1-NZ 2.67Å; E120-K151 WeakPolarHBondContact OE2-CE 3.49Å; E120-K151 IonicContact OE2-NZ 2.74Å; E120-K151 PolarHBondContact OE2-NZ 3.12Å; Y147-K151 HydrophobicContact CD1-CB 4.08Å; Y147-K151 CarbonylContact O-C 3.54Å; Y147-K151 PolarHBondContact O-N 3.06Å; K151-Q153 PolarHBondContact O-N 3.27Å; K151-Q153 VanDerWaalsContact O-N 3.16Å; K151-K154 HydrophobicContact CD-CD 4.48Å; K151-K154 PolarHBondContact O-N 3.42Å
152P89.3Confident91.1Very high53 Ų5353.4 Ų53.434%0.34425%0.253SS..Hα-helixtrans-53-38.4179.5-31.138.2000114.1K154 M155 L180P152-K154 PolarHBondContact O-N 3.38Å; P152-K154 VanDerWaalsContact O-N 3.15Å; P152-M155 VanDerWaalsContact O-CB 3.27Å; P152-M155 WeakPolarHBondContact O-CB 3.41Å; P152-M155 PolarHBondContact O-N 3.39Å; P152-L180 HydrophobicContact CB-CD1 4.36Å; P152-L180 HydrophobicContact CB-CD2 3.74Å; P152-L180 HydrophobicContact CG-CD2 4.21Å
153Q89.9Confident91.1Very high185 Ų18556.9 Ų56.986%0.86427%0.265SS*.Hα-helixtrans-58-32.7-176.3-62.6175.2300113.9K151K151-Q153 PolarHBondContact O-N 3.27Å; K151-Q153 VanDerWaalsContact O-N 3.16Å
154K90.1Very high91Very high78 Ų7860.8 Ų60.834%0.33929%0.293SS..Hα-helixtrans-88.4-12.3179.6-70.8-170.6174.5-164.40113.2E127 Y147 K151 P152 H158E127-K154 IonicContact OE1-NZ 2.68Å; E127-K154 PolarHBondContact OE1-NZ 3.2Å; E127-K154 IonicContact OE2-NZ 2.83Å; Y147-K154 HydrophobicContact CD1-CB 4.43Å; Y147-K154 HydrophobicContact CE1-CB 4.26Å; Y147-K154 HydrophobicContact CE1-CD 4.08Å; Y147-K154 HydrophobicContact CE2-CB 4.4Å; K151-K154 HydrophobicContact CD-CD 4.48Å; K151-K154 PolarHBondContact O-N 3.42Å; P152-K154 PolarHBondContact O-N 3.38Å; P152-K154 VanDerWaalsContact O-N 3.15Å; K154-H158 PolarHBondContact O-N 2.94Å; K154-H158 VanDerWaalsContact O-N 3.12Å
155M90.2Very high90.9Very high0 Ų065.8 Ų65.80%031%0.312CS..Hα-helixtrans-65.9-43.8-171.4-174.9168170.800111.6S148 P152 H158 L159 V171 A175 L180 E183S148-M155 VanDerWaalsContact CA-SD 3.54Å; S148-M155 VanDerWaalsContact CB-SD 3.51Å; P152-M155 VanDerWaalsContact O-CB 3.27Å; P152-M155 WeakPolarHBondContact O-CB 3.41Å; P152-M155 PolarHBondContact O-N 3.39Å; M155-H158 PolarHBondContact O-N 3.01Å; M155-L159 HydrophobicContact CE-CD1 3.93Å; M155-L159 HydrophobicContact CG-CD1 4.06Å; M155-L159 HydrophobicContact CG-CG 4.4Å; M155-L159 WeakPolarHBondContact O-CG 3.39Å; M155-L159 PolarHBondContact O-N 3.36Å; M155-V171 HydrophobicContact CE-CG1 4.08Å; M155-A175 HydrophobicContact CE-CB 3.86Å; M155-L180 HydrophobicContact CE-CD1 4.32Å; M155-L180 HydrophobicContact SD-CD1 3.21Å; M155-L180 WeakPolarHBondContact SD-CD1 3.41Å; M155-L180 HydrophobicContact SD-CG 4.5Å; M155-E183 HydrophobicContact CB-CG 4.25Å; M155-E183 HydrophobicContact CE-CB 4.36Å; M155-E183 HydrophobicContact CG-CG 4.06Å; M155-E183 HydrophobicContact SD-CG 4.47Å
156L88.2Confident90.9Very high48 Ų4865.3 Ų65.325%0.25131%0.31SS..Hα-helixtrans-61.2-48179.9-167.8147.2000111.8H158 L159 E160 A182 E183L156-H158 VanDerWaalsContact C-N 3.3Å; L156-H158 PolarHBondContact O-N 3.22Å; L156-L159 PolarHBondContact O-N 3.2Å; L156-E160 VanDerWaalsContact CD2-CD 3.47Å; L156-E160 HydrophobicContact CD2-CG 4Å; L156-E160 WeakPolarHBondContact CD2-OE1 3.49Å; L156-E160 WeakPolarHBondContact O-CG 3.41Å; L156-E160 PolarHBondContact O-N 3.17Å; L156-A182 HydrophobicContact CD1-CB 4.5Å; L156-E183 HydrophobicContact CB-CG 3.89Å; L156-E183 HydrophobicContact CD1-CG 4.46Å; L156-E183 HydrophobicContact CG-CG 4.43Å
157E91.7Very high91Very high126 Ų12668.5 Ų68.559%0.58933%0.327SS*.Hα-helixtrans-59.1-41.7177.5-63.2-179.5171.800111.9E160 L161E157-E160 PolarHBondContact O-N 3.39Å; E157-L161 WeakPolarHBondContact O-CG 3.34Å; E157-L161 PolarHBondContact O-N 3.15Å
158H92.4Very high90.9Very high10 Ų1068.9 Ų68.95%0.04633%0.329CS..Hα-helixtrans-62.4-44.8176.9178.969.6000112F140 Y147 K154 M155 L156 L161 F162F140-H158 PolarHBondContact O-NE2 3.19Å; Y147-H158 HydrophobicContact CD2-CB 3.87Å; Y147-H158 AromaticContact CD2-CG 3.95Å; Y147-H158 HydrophobicContact CE2-CB 3.78Å; Y147-H158 AromaticContact CE2-CG 3.83Å; K154-H158 PolarHBondContact O-N 2.94Å; K154-H158 VanDerWaalsContact O-N 3.12Å; M155-H158 PolarHBondContact O-N 3.01Å; L156-H158 VanDerWaalsContact C-N 3.3Å; L156-H158 PolarHBondContact O-N 3.22Å; H158-L161 PolarHBondContact O-N 3.42Å; H158-F162 AromaticContact CE1-CD2 3.75Å; H158-F162 AromaticContact ND1-CD2 3.4Å; H158-F162 WeakPolarHBondContact ND1-CD2 3.49Å; H158-F162 AromaticContact ND1-CE2 3.98Å; H158-F162 WeakPolarHBondContact O-CB 3.26Å; H158-F162 WeakPolarHBondContact O-CD2 3.45Å; H158-F162 PolarHBondContact O-N 3.47Å
159L92.1Very high91Very high0 Ų071.1 Ų71.10%034%0.344CS..Hα-helixtrans-69.4-39.9179.8-66.4178.5000112A144 M155 L156 L161 F162 W163 V171 E183 F186 L187A144-L159 HydrophobicContact CB-CD2 4.39Å; M155-L159 HydrophobicContact CE-CD1 3.93Å; M155-L159 HydrophobicContact CG-CD1 4.06Å; M155-L159 HydrophobicContact CG-CG 4.4Å; M155-L159 WeakPolarHBondContact O-CG 3.39Å; M155-L159 PolarHBondContact O-N 3.36Å; L156-L159 PolarHBondContact O-N 3.2Å; L159-L161 VanDerWaalsContact C-N 3.27Å; L159-L161 PolarHBondContact O-N 3.45Å; L159-F162 PolarHBondContact O-N 2.9Å; L159-W163 VanDerWaalsContact O-CB 3.23Å; L159-W163 WeakPolarHBondContact O-CB 3.29Å; L159-W163 PolarHBondContact O-N 3.04Å; L159-V171 HydrophobicContact CD2-CG1 4.35Å; L159-E183 HydrophobicContact CD1-CB 3.97Å; L159-E183 HydrophobicContact CD1-CG 4.44Å; L159-F186 HydrophobicContact CB-CD1 4.15Å; L159-F186 HydrophobicContact CB-CE1 4.08Å; L159-L187 HydrophobicContact CD1-CD1 3.98Å; L159-L187 HydrophobicContact CD1-CD2 4.04Å; L159-L187 HydrophobicContact CD1-CG 3.94Å; L159-L187 HydrophobicContact CD2-CD2 4.02Å
160E91.3Very high91.1Very high107 Ų10769.7 Ų69.750%0.534%0.337SS..Hα-helixtrans-58.7-39.2176.5-77.4-173.3164.600112.3L156 E157 F186L156-E160 VanDerWaalsContact CD2-CD 3.47Å; L156-E160 HydrophobicContact CD2-CG 4Å; L156-E160 WeakPolarHBondContact CD2-OE1 3.49Å; L156-E160 WeakPolarHBondContact O-CG 3.41Å; L156-E160 PolarHBondContact O-N 3.17Å; E157-E160 PolarHBondContact O-N 3.39Å; E160-F186 HydrophobicContact CG-CE2 4.17Å; E160-F186 HydrophobicContact CG-CZ 4.14Å
161L91.8Very high91.3Very high125 Ų12565.9 Ų65.965%0.65432%0.321SS*.Hα-helixtrans-80.1-38.7179.8-66.4174.6000113.4E157 H158 L159E157-L161 WeakPolarHBondContact O-CG 3.34Å; E157-L161 PolarHBondContact O-N 3.15Å; H158-L161 PolarHBondContact O-N 3.42Å; L159-L161 VanDerWaalsContact C-N 3.27Å; L159-L161 PolarHBondContact O-N 3.45Å
162F92Very high91.4Very high63 Ų6364 Ų6428%0.27631%0.313SS..Hα-helixtrans-121.310.5-163.8-55.6-63.9000116L130 F140 H158 L159 S164 R165 V166L130-F162 HydrophobicContact CD2-CD2 4.18Å; L130-F162 HydrophobicContact CD2-CE2 3.98Å; L130-F162 HydrophobicContact CD2-CZ 4.28Å; F140-F162 HydrophobicContact CD1-CB 3.65Å; F140-F162 AromaticContact CD1-CD1 3.92Å; F140-F162 HydrophobicContact CD1-CD1 3.92Å; F140-F162 HydrophobicContact CD1-CD2 4.22Å; F140-F162 AromaticContact CD1-CG 3.67Å; F140-F162 HydrophobicContact CD1-CG 3.67Å; F140-F162 HydrophobicContact CE1-CB 4.13Å; F140-F162 AromaticContact CE1-CD1 3.49Å; F140-F162 HydrophobicContact CE1-CD1 3.49Å; F140-F162 VanDerWaalsContact CE1-CD1 3.49Å; F140-F162 HydrophobicContact CE1-CD2 4.39Å; F140-F162 AromaticContact CE1-CE1 3.92Å; F140-F162 HydrophobicContact CE1-CE1 3.92Å; F140-F162 AromaticContact CE1-CG 3.75Å; F140-F162 HydrophobicContact CE1-CG 3.75Å; H158-F162 AromaticContact CE1-CD2 3.75Å; H158-F162 AromaticContact ND1-CD2 3.4Å; H158-F162 WeakPolarHBondContact ND1-CD2 3.49Å; H158-F162 AromaticContact ND1-CE2 3.98Å; H158-F162 WeakPolarHBondContact O-CB 3.26Å; H158-F162 WeakPolarHBondContact O-CD2 3.45Å; H158-F162 PolarHBondContact O-N 3.47Å; L159-F162 PolarHBondContact O-N 2.9Å; F162-S164 PolarHBondContact O-N 2.97Å; F162-R165 PolarHBondContact O-N 2.58Å; F162-V166 WeakPolarHBondContact O-CG2 3.08Å
163W90.1Very high91.5Very high102 Ų10270 Ų7039%0.38633%0.329SS..G310 helixtrans-51.5-32.8-179.163.6-86.7000114.6L159 R165 F186 K190L159-W163 VanDerWaalsContact O-CB 3.23Å; L159-W163 WeakPolarHBondContact O-CB 3.29Å; L159-W163 PolarHBondContact O-N 3.04Å; W163-R165 VanDerWaalsContact C-N 3.27Å; W163-R165 PolarHBondContact O-N 2.89Å; W163-F186 HydrophobicContact CB-CE1 4.21Å; W163-F186 HydrophobicContact CG-CE1 4.48Å; W163-K190 HydrophobicContact CD2-CD 4.34Å; W163-K190 HydrophobicContact CD2-CG 4.17Å; W163-K190 HydrophobicContact CE3-CB 4.07Å; W163-K190 HydrophobicContact CE3-CD 4.43Å; W163-K190 HydrophobicContact CE3-CG 4.21Å; W163-K190 HydrophobicContact CG-CG 4.39Å
164S91.1Very high91.6Very high83 Ų8361.5 Ų61.558%0.5829%0.291SS*.G310 helixtrans-69.9-19.618062.20000114.4F162F162-S164 PolarHBondContact O-N 2.97Å
165R89.8Confident91.7Very high106 Ų10657.8 Ų57.840%0.428%0.275SS..G310 helixtrans-112.819.6-175.9-60.6-177.869-174.21.7112.6A135 M137 F140 F162 W163A135-R165 PolarHBondContact O-NH2 3.19Å; M137-R165 WeakPolarHBondContact CA-O 3.48Å; M137-R165 VanDerWaalsContact CG-O 3.29Å; M137-R165 WeakPolarHBondContact CG-O 3.35Å; F140-R165 HydrophobicContact CD2-CB 4.12Å; F140-R165 HydrophobicContact CE2-CB 4.3Å; F140-R165 HydrophobicContact CG-CB 4.35Å; F140-R165 VanDerWaalsContact CZ-CZ 3.48Å; F162-R165 PolarHBondContact O-N 2.58Å; W163-R165 VanDerWaalsContact C-N 3.27Å; W163-R165 PolarHBondContact O-N 2.89Å
166V92.9Very high91.7Very high9 Ų962.7 Ų62.76%0.05530%0.298CS..SBendtrans-119.1147.5-176168.70000110.3F140 F162 I168 V171F140-V166 HydrophobicContact CB-CG2 3.48Å; F140-V166 VanDerWaalsContact CB-CG2 3.48Å; F162-V166 WeakPolarHBondContact O-CG2 3.08Å; V166-I168 PolarHBondContact O-N 3.49Å; V166-V171 HydrophobicContact CG1-CB 4.28Å; V166-V171 HydrophobicContact CG1-CG2 3.41Å; V166-V171 VanDerWaalsContact CG1-CG2 3.41Å
167N92.8Very high91.8Very high70 Ų7067.3 Ų67.337%0.37432%0.318SS..  trans-78.696.1168.3-176.4-32.5000110.2M137 T141 P169 K170 V171M137-N167 HydrophobicContact SD-CB 4.46Å; T141-N167 HydrophobicContact CG2-CB 3.82Å; T141-N167 PolarHBondContact OG1-N 3.34Å; N167-P169 VanDerWaalsContact OD1-CD 3.3Å; N167-P169 WeakPolarHBondContact OD1-CD 3.42Å; N167-K170 HydrophobicContact CB-CB 4.36Å; N167-K170 PolarHBondContact O-N 3Å; N167-K170 PolarHBondContact OD1-N 3.19Å; N167-V171 WeakPolarHBondContact O-CG2 3.33Å; N167-V171 PolarHBondContact O-N 3.24Å
168I91.5Very high91.8Very high22 Ų2262.8 Ų62.811%0.11330%0.302CS..Hα-helixtrans-58.2-49.2-174.1-60.8166000112.7V166 K170 V171 L172 L187 Y191V166-I168 PolarHBondContact O-N 3.49Å; I168-K170 VanDerWaalsContact C-N 3.3Å; I168-K170 PolarHBondContact O-N 2.89Å; I168-V171 PolarHBondContact O-N 3.04Å; I168-V171 VanDerWaalsContact O-N 3.16Å; I168-L172 HydrophobicContact CG2-CD1 3.75Å; I168-L172 HydrophobicContact CG2-CG 3.98Å; I168-L172 WeakPolarHBondContact O-CB 3.34Å; I168-L172 WeakPolarHBondContact O-CG 3.4Å; I168-L172 PolarHBondContact O-N 3.46Å; I168-L187 HydrophobicContact CG2-CB 4.49Å; I168-L187 HydrophobicContact CG2-CD2 4.41Å; I168-Y191 HydrophobicContact CB-CD2 3.92Å; I168-Y191 HydrophobicContact CB-CE2 4.37Å; I168-Y191 HydrophobicContact CD1-CD2 3.87Å; I168-Y191 HydrophobicContact CG2-CD2 3.72Å; I168-Y191 HydrophobicContact CG2-CE2 4.47Å; I168-Y191 HydrophobicContact CG2-CG 3.84Å
169P93.7Very high91.7Very high51 Ų5168 Ų6833%0.33133%0.326SS..Hα-helixtrans-56.8-37.6178.7-2934.9000114.8N167 R173 Y191N167-P169 VanDerWaalsContact OD1-CD 3.3Å; N167-P169 WeakPolarHBondContact OD1-CD 3.42Å; P169-R173 PolarHBondContact O-N 3.35Å; P169-Y191 HydrophobicContact CG-CE2 4.22Å
170K92.6Very high91.6Very high94 Ų9469 Ų6941%0.40933%0.331SS..Hα-helixtrans-69.8-42.4178.7-166.6179.2-178.7-179.30111T141 E142 I145 N167 I168 A174T141-K170 HydrophobicContact CG2-CB 4.18Å; T141-K170 HydrophobicContact CG2-CD 3.95Å; T141-K170 HydrophobicContact CG2-CG 4.39Å; E142-K170 IonicContact OE1-NZ 2.67Å; E142-K170 PolarHBondContact OE1-NZ 2.96Å; I145-K170 HydrophobicContact CD1-CD 4Å; I145-K170 HydrophobicContact CD1-CG 4.09Å; N167-K170 HydrophobicContact CB-CB 4.36Å; N167-K170 PolarHBondContact O-N 3Å; N167-K170 PolarHBondContact OD1-N 3.19Å; I168-K170 VanDerWaalsContact C-N 3.3Å; I168-K170 PolarHBondContact O-N 2.89Å; K170-A174 PolarHBondContact O-N 3.45Å
171V93.5Very high91.7Very high0 Ų065.7 Ų65.70%032%0.315CS..Hα-helixtrans-70.1-36.3178.9-179.20000111.8T141 A144 M155 L159 V166 N167 I168 R173 A174 A175 L187T141-V171 HydrophobicContact CG2-CG2 3.9Å; A144-V171 HydrophobicContact CB-CG1 3.94Å; A144-V171 HydrophobicContact CB-CG2 3.89Å; M155-V171 HydrophobicContact CE-CG1 4.08Å; L159-V171 HydrophobicContact CD2-CG1 4.35Å; V166-V171 HydrophobicContact CG1-CB 4.28Å; V166-V171 HydrophobicContact CG1-CG2 3.41Å; V166-V171 VanDerWaalsContact CG1-CG2 3.41Å; N167-V171 WeakPolarHBondContact O-CG2 3.33Å; N167-V171 PolarHBondContact O-N 3.24Å; I168-V171 PolarHBondContact O-N 3.04Å; I168-V171 VanDerWaalsContact O-N 3.16Å; V171-R173 VanDerWaalsContact C-N 3.34Å; V171-R173 PolarHBondContact O-N 2.7Å; V171-A174 CarbonylContact O-C 2.87Å; V171-A174 PolarHBondContact O-N 2.92Å; V171-A174 VanDerWaalsContact O-N 3.09Å; V171-A175 WeakPolarHBondContact O-CB 3.19Å; V171-A175 PolarHBondContact O-N 2.96Å; V171-L187 HydrophobicContact CB-CD1 4.37Å; V171-L187 HydrophobicContact CG1-CD1 3.73Å
172L92.6Very high91.6Very high13 Ų1361.2 Ų61.27%0.06830%0.296CS..Hα-helixtrans-55.4-48175.4-81.2171000111.8I168 A174 A175 E176 L184 L187 Y188 Y191I168-L172 HydrophobicContact CG2-CD1 3.75Å; I168-L172 HydrophobicContact CG2-CG 3.98Å; I168-L172 WeakPolarHBondContact O-CB 3.34Å; I168-L172 WeakPolarHBondContact O-CG 3.4Å; I168-L172 PolarHBondContact O-N 3.46Å; L172-A174 VanDerWaalsContact C-N 3.29Å; L172-A174 PolarHBondContact O-N 3.32Å; L172-A175 PolarHBondContact O-N 3.14Å; L172-E176 WeakPolarHBondContact O-CB 3.46Å; L172-E176 PolarHBondContact O-N 3.47Å; L172-L184 HydrophobicContact CD2-CG 4.4Å; L172-L187 HydrophobicContact CD2-CB 3.49Å; L172-L187 VanDerWaalsContact CD2-CB 3.49Å; L172-L187 HydrophobicContact CD2-CD1 4.02Å; L172-L187 HydrophobicContact CD2-CG 4.41Å; L172-L187 HydrophobicContact CG-CB 4.18Å; L172-L187 HydrophobicContact CG-CD1 4.37Å; L172-Y188 HydrophobicContact CD1-CD1 4.02Å; L172-Y188 HydrophobicContact CD1-CE1 3.82Å; L172-Y188 HydrophobicContact CD2-CD1 3.74Å; L172-Y188 HydrophobicContact CD2-CE1 3.64Å; L172-Y188 HydrophobicContact CD2-CG 4.3Å; L172-Y188 HydrophobicContact CG-CE1 4.33Å; L172-Y191 HydrophobicContact CD1-CD1 4.4Å
173R92Very high91.5Very high177 Ų17759.3 Ų59.367%0.66829%0.288SS*.Hα-helixtrans-61-39.4176.4-65-178.3-164.3175.74.3112.3P169 V171 Q177P169-R173 PolarHBondContact O-N 3.35Å; V171-R173 VanDerWaalsContact C-N 3.34Å; V171-R173 PolarHBondContact O-N 2.7Å; R173-Q177 WeakPolarHBondContact O-CB 3.49Å; R173-Q177 VanDerWaalsContact O-CG 3.23Å; R173-Q177 WeakPolarHBondContact O-CG 3.28Å; R173-Q177 PolarHBondContact O-N 3.03Å; R173-Q177 VanDerWaalsContact O-N 3.1Å
174A91.8Very high91.6Very high8 Ų854.5 Ų54.57%0.06627%0.269CS..Hα-helixtrans-71.1-34.7178.700000112.5I145 S148 K170 V171 L172 A178I145-A174 HydrophobicContact CB-CB 4.41Å; I145-A174 HydrophobicContact CG1-CB 3.87Å; I145-A174 HydrophobicContact CG2-CB 4.28Å; S148-A174 PolarHBondContact OG-O 3.25Å; K170-A174 PolarHBondContact O-N 3.45Å; V171-A174 CarbonylContact O-C 2.87Å; V171-A174 PolarHBondContact O-N 2.92Å; V171-A174 VanDerWaalsContact O-N 3.09Å; L172-A174 VanDerWaalsContact C-N 3.29Å; L172-A174 PolarHBondContact O-N 3.32Å; A174-A178 WeakPolarHBondContact O-CB 3.24Å; A174-A178 PolarHBondContact O-N 3.41Å
175A91.3Very high91.7Very high0 Ų050.6 Ų50.60%024%0.242CC..Hα-helixtrans-70.5-39.8175.400000111.5M155 V171 L172 A178 H179 L180 L184 L187M155-A175 HydrophobicContact CE-CB 3.86Å; V171-A175 WeakPolarHBondContact O-CB 3.19Å; V171-A175 PolarHBondContact O-N 2.96Å; L172-A175 PolarHBondContact O-N 3.14Å; A175-A178 CarbonylContact O-C 3.6Å; A175-A178 PolarHBondContact O-N 3.35Å; A175-H179 PolarHBondContact O-N 3.11Å; A175-L180 PolarHBondContact O-N 3.18Å; A175-L180 VanDerWaalsContact O-N 3.17Å; A175-L184 HydrophobicContact CB-CB 4.27Å; A175-L184 HydrophobicContact CB-CD1 4.44Å; A175-L184 HydrophobicContact CB-CG 4.42Å; A175-L187 HydrophobicContact CB-CD1 4.45Å
176E89.9Confident91.8Very high103 Ų10347.1 Ų47.148%0.48123%0.23SC..Hα-helixtrans-64.2-43.2176.2-171177.7-166.900111.3L172 A178 H179 L184L172-E176 WeakPolarHBondContact O-CB 3.46Å; L172-E176 PolarHBondContact O-N 3.47Å; E176-A178 PolarHBondContact O-N 2.99Å; E176-H179 PolarHBondContact O-N 3.04Å; E176-H179 PolarHBondContact O-ND1 3.36Å; E176-L184 HydrophobicContact CB-CD1 3.93Å; E176-L184 HydrophobicContact CG-CD1 4.44Å
177Q91.3Very high91.7Very high144 Ų14446.7 Ų46.767%0.67323%0.227SC*.Hα-helixtrans-63.3-29.5173.6-73.8171.815.900113.3R173R173-Q177 WeakPolarHBondContact O-CB 3.49Å; R173-Q177 VanDerWaalsContact O-CG 3.23Å; R173-Q177 WeakPolarHBondContact O-CG 3.28Å; R173-Q177 PolarHBondContact O-N 3.03Å; R173-Q177 VanDerWaalsContact O-N 3.1Å
178A90.8Very high91.7Very high32 Ų3244.6 Ų44.626%0.26421%0.214SC..THydrogen-bonded Turntrans-91.9-2.9179.500000113.6S148 A174 A175 E176 L180S148-A178 WeakPolarHBondContact O-CB 3.38Å; A174-A178 WeakPolarHBondContact O-CB 3.24Å; A174-A178 PolarHBondContact O-N 3.41Å; A175-A178 CarbonylContact O-C 3.6Å; A175-A178 PolarHBondContact O-N 3.35Å; E176-A178 PolarHBondContact O-N 2.99Å; A178-L180 VanDerWaalsContact C-N 3.29Å; A178-L180 HydrophobicContact CB-CD1 3.91Å; A178-L180 HydrophobicContact CB-CG 3.89Å; A178-L180 PolarHBondContact O-N 2.76Å
179H90.3Very high91.8Very high118 Ų11844.8 Ų44.855%0.54622%0.216SC..THydrogen-bonded Turntrans54.439.5-176.8-57.2-47.9000114.2A175 E176 W181A175-H179 PolarHBondContact O-N 3.11Å; E176-H179 PolarHBondContact O-N 3.04Å; E176-H179 PolarHBondContact O-ND1 3.36Å; H179-W181 HydrophobicContact CB-CZ2 3.88Å; H179-W181 AromaticContact CG-CZ2 3.92Å; H179-W181 AromaticContact ND1-CH2 3.71Å; H179-W181 AromaticContact ND1-CZ2 3.37Å; H179-W181 WeakPolarHBondContact ND1-CZ2 3.37Å; H179-W181 PolarHBondContact O-N 3.18Å; H179-W181 PolarHBondContact O-NE1 3.1Å
180L91.8Very high91.7Very high22 Ų2246 Ų4612%0.11522%0.215CC..  trans-93.176.3-179.8-63.8178.1000110.8P152 M155 A175 A178 A182 E183 L184P152-L180 HydrophobicContact CB-CD1 4.36Å; P152-L180 HydrophobicContact CB-CD2 3.74Å; P152-L180 HydrophobicContact CG-CD2 4.21Å; M155-L180 HydrophobicContact CE-CD1 4.32Å; M155-L180 HydrophobicContact SD-CD1 3.21Å; M155-L180 WeakPolarHBondContact SD-CD1 3.41Å; M155-L180 HydrophobicContact SD-CG 4.5Å; A175-L180 PolarHBondContact O-N 3.18Å; A175-L180 VanDerWaalsContact O-N 3.17Å; A178-L180 VanDerWaalsContact C-N 3.29Å; A178-L180 HydrophobicContact CB-CD1 3.91Å; A178-L180 HydrophobicContact CB-CG 3.89Å; A178-L180 PolarHBondContact O-N 2.76Å; L180-A182 PolarHBondContact O-N 3.03Å; L180-E183 HydrophobicContact CB-CB 4.37Å; L180-E183 WeakPolarHBondContact CB-OE2 3.5Å; L180-E183 PolarHBondContact O-N 3.34Å; L180-L184 WeakPolarHBondContact O-CB 3.39Å; L180-L184 PolarHBondContact O-N 3.12Å
181W92Very high91.6Very high38 Ų3846.1 Ų46.114%0.14421%0.214CC..Hα-helixtrans-67.7-33.8-166.6-53.1115.9000114.1H179 L184 V185 T200 H204 E207 A208H179-W181 HydrophobicContact CB-CZ2 3.88Å; H179-W181 AromaticContact CG-CZ2 3.92Å; H179-W181 AromaticContact ND1-CH2 3.71Å; H179-W181 AromaticContact ND1-CZ2 3.37Å; H179-W181 WeakPolarHBondContact ND1-CZ2 3.37Å; H179-W181 PolarHBondContact O-N 3.18Å; H179-W181 PolarHBondContact O-NE1 3.1Å; W181-L184 HydrophobicContact CE3-CD1 3.93Å; W181-L184 HydrophobicContact CZ3-CD1 3.95Å; W181-V185 WeakPolarHBondContact O-CB 3.38Å; W181-V185 WeakPolarHBondContact O-CG2 3.29Å; W181-V185 PolarHBondContact O-N 3.43Å; W181-T200 HydrophobicContact CB-CG2 4.18Å; W181-T200 HydrophobicContact CD2-CG2 4.2Å; W181-T200 HydrophobicContact CE3-CG2 3.47Å; W181-T200 VanDerWaalsContact CE3-CG2 3.47Å; W181-T200 HydrophobicContact CZ3-CG2 4.21Å; W181-H204 HydrophobicContact CB-CB 4.23Å; W181-H204 AromaticContact CD1-CG 3.65Å; W181-H204 HydrophobicContact CD2-CB 4.35Å; W181-H204 AromaticContact CD2-CD2 3.3Å; W181-H204 AromaticContact CD2-CG 3.72Å; W181-H204 AromaticContact CD2-NE2 3.82Å; W181-H204 AromaticContact CE2-CD2 3.37Å; W181-H204 AromaticContact CE2-CE1 3.63Å; W181-H204 AromaticContact CE2-CG 3.65Å; W181-H204 AromaticContact CE2-ND1 3.79Å; W181-H204 AromaticContact CE2-NE2 3.43Å; W181-H204 AromaticContact CE3-CD2 3.62Å; W181-H204 HydrophobicContact CG-CB 3.87Å; W181-H204 AromaticContact CG-CD2 3.78Å; W181-H204 AromaticContact CG-CG 3.73Å; W181-H204 AromaticContact CH2-CD2 3.99Å; W181-H204 AromaticContact CH2-NE2 3.53Å; W181-H204 AromaticContact CZ2-CD2 3.74Å; W181-H204 AromaticContact CZ2-CE1 3.58Å; W181-H204 AromaticContact CZ2-NE2 3.29Å; W181-H204 VanDerWaalsContact CZ2-NE2 3.29Å; W181-H204 WeakPolarHBondContact CZ2-NE2 3.43Å; W181-H204 AromaticContact CZ3-CD2 3.94Å; W181-H204 AromaticContact CZ3-NE2 3.9Å; W181-H204 AromaticContact NE1-CD2 3.84Å; W181-H204 AromaticContact NE1-CE1 3.84Å; W181-H204 AromaticContact NE1-CG 3.61Å; W181-H204 AromaticContact NE1-ND1 3.6Å; W181-E207 VanDerWaalsContact CD1-OE2 3.29Å; W181-A208 HydrophobicContact CB-CB 4.03Å
182A89.3Confident91.5Very high31 Ų3152.9 Ų52.926%0.25625%0.246SC..Hα-helixtrans-67.2-44.4179.400000111.6L156 L180 F186L156-A182 HydrophobicContact CD1-CB 4.5Å; L180-A182 PolarHBondContact O-N 3.03Å; A182-F186 PolarHBondContact O-N 3.33Å
183E90.4Very high91.5Very high23 Ų2355.5 Ų55.511%0.10726%0.258CS..Hα-helixtrans-69.4-40.6177-65.280-178.300111.4M155 L156 L159 L180 F186 L187M155-E183 HydrophobicContact CB-CG 4.25Å; M155-E183 HydrophobicContact CE-CB 4.36Å; M155-E183 HydrophobicContact CG-CG 4.06Å; M155-E183 HydrophobicContact SD-CG 4.47Å; L156-E183 HydrophobicContact CB-CG 3.89Å; L156-E183 HydrophobicContact CD1-CG 4.46Å; L156-E183 HydrophobicContact CG-CG 4.43Å; L159-E183 HydrophobicContact CD1-CB 3.97Å; L159-E183 HydrophobicContact CD1-CG 4.44Å; L180-E183 HydrophobicContact CB-CB 4.37Å; L180-E183 WeakPolarHBondContact CB-OE2 3.5Å; L180-E183 PolarHBondContact O-N 3.34Å; E183-F186 WeakPolarHBondContact O-CB 3.3Å; E183-F186 PolarHBondContact O-N 3.26Å; E183-L187 WeakPolarHBondContact O-CG 3.43Å; E183-L187 PolarHBondContact O-N 3.07Å
184L92.4Very high91.5Very high1 Ų148.8 Ų48.81%0.00523%0.233CC..Hα-helixtrans-63.8-42.7179.3-169.5165.3000110.9L172 A175 E176 L180 W181 F186 L187 Y188 T200L172-L184 HydrophobicContact CD2-CG 4.4Å; A175-L184 HydrophobicContact CB-CB 4.27Å; A175-L184 HydrophobicContact CB-CD1 4.44Å; A175-L184 HydrophobicContact CB-CG 4.42Å; E176-L184 HydrophobicContact CB-CD1 3.93Å; E176-L184 HydrophobicContact CG-CD1 4.44Å; L180-L184 WeakPolarHBondContact O-CB 3.39Å; L180-L184 PolarHBondContact O-N 3.12Å; W181-L184 HydrophobicContact CE3-CD1 3.93Å; W181-L184 HydrophobicContact CZ3-CD1 3.95Å; L184-F186 VanDerWaalsContact C-N 3.34Å; L184-F186 PolarHBondContact O-N 2.94Å; L184-L187 WeakPolarHBondContact O-CB 3.5Å; L184-L187 PolarHBondContact O-N 2.91Å; L184-Y188 HydrophobicContact CD2-CD2 3.33Å; L184-Y188 HydrophobicContact CD2-CE2 2.97Å; L184-Y188 HydrophobicContact CD2-CG 4.3Å; L184-Y188 HydrophobicContact CG-CE2 4.27Å; L184-Y188 PolarHBondContact O-N 2.82Å; L184-T200 HydrophobicContact CD2-CG2 4.2Å
185V92.1Very high91.5Very high1 Ų151 Ų511%0.00624%0.243CC..Hα-helixtrans-63.5-39174.1164.80000112.2W181 L187 Y188 D189 T200 M201 A208W181-V185 WeakPolarHBondContact O-CB 3.38Å; W181-V185 WeakPolarHBondContact O-CG2 3.29Å; W181-V185 PolarHBondContact O-N 3.43Å; V185-L187 VanDerWaalsContact C-N 3.34Å; V185-Y188 PolarHBondContact O-N 3.08Å; V185-D189 PolarHBondContact O-N 3.39Å; V185-T200 HydrophobicContact CG2-CG2 3.72Å; V185-M201 HydrophobicContact CG1-CE 3.25Å; V185-M201 HydrophobicContact CG1-CG 4.05Å; V185-M201 HydrophobicContact CG1-SD 4.38Å; V185-M201 HydrophobicContact CG2-CG 4Å; V185-A208 HydrophobicContact CG2-CB 3.9Å
186F92Very high91.5Very high32 Ų3253.9 Ų53.914%0.1426%0.259CS..Hα-helixtrans-61.8-42.9173175.9-93.7000111.7L159 E160 W163 A182 E183 L184 D189 K190L159-F186 HydrophobicContact CB-CD1 4.15Å; L159-F186 HydrophobicContact CB-CE1 4.08Å; E160-F186 HydrophobicContact CG-CE2 4.17Å; E160-F186 HydrophobicContact CG-CZ 4.14Å; W163-F186 HydrophobicContact CB-CE1 4.21Å; W163-F186 HydrophobicContact CG-CE1 4.48Å; A182-F186 PolarHBondContact O-N 3.33Å; E183-F186 WeakPolarHBondContact O-CB 3.3Å; E183-F186 PolarHBondContact O-N 3.26Å; L184-F186 VanDerWaalsContact C-N 3.34Å; L184-F186 PolarHBondContact O-N 2.94Å; F186-D189 PolarHBondContact O-N 3.38Å; F186-K190 HydrophobicContact CD1-CG 4.47Å; F186-K190 HydrophobicContact CE1-CG 4.02Å; F186-K190 HydrophobicContact CE2-CG 4.4Å; F186-K190 HydrophobicContact CZ-CD 4.49Å; F186-K190 HydrophobicContact CZ-CG 3.98Å; F186-K190 WeakPolarHBondContact O-CG 3.42Å; F186-K190 PolarHBondContact O-N 2.84Å; F186-K190 VanDerWaalsContact O-N 3.08Å
187L92.2Very high91.6Very high0 Ų049 Ų490%024%0.236CC..Hα-helixtrans-63.1-43.4176.3-71.2172.5000112L159 I168 V171 L172 A175 E183 L184 V185 K190 Y191L159-L187 HydrophobicContact CD1-CD1 3.98Å; L159-L187 HydrophobicContact CD1-CD2 4.04Å; L159-L187 HydrophobicContact CD1-CG 3.94Å; L159-L187 HydrophobicContact CD2-CD2 4.02Å; I168-L187 HydrophobicContact CG2-CB 4.49Å; I168-L187 HydrophobicContact CG2-CD2 4.41Å; V171-L187 HydrophobicContact CB-CD1 4.37Å; V171-L187 HydrophobicContact CG1-CD1 3.73Å; L172-L187 HydrophobicContact CD2-CB 3.49Å; L172-L187 VanDerWaalsContact CD2-CB 3.49Å; L172-L187 HydrophobicContact CD2-CD1 4.02Å; L172-L187 HydrophobicContact CD2-CG 4.41Å; L172-L187 HydrophobicContact CG-CB 4.18Å; L172-L187 HydrophobicContact CG-CD1 4.37Å; A175-L187 HydrophobicContact CB-CD1 4.45Å; E183-L187 WeakPolarHBondContact O-CG 3.43Å; E183-L187 PolarHBondContact O-N 3.07Å; L184-L187 WeakPolarHBondContact O-CB 3.5Å; L184-L187 PolarHBondContact O-N 2.91Å; V185-L187 VanDerWaalsContact C-N 3.34Å; L187-K190 PolarHBondContact O-N 3.49Å; L187-Y191 VanDerWaalsContact O-CB 3.25Å; L187-Y191 WeakPolarHBondContact O-CB 3.48Å; L187-Y191 PolarHBondContact O-N 3.18Å
188Y93.2Very high91.6Very high26 Ų2642.1 Ų42.110%0.10220%0.204CC..Hα-helixtrans-64.5-37.8175.8-75.6-38.5000113L172 L184 V185 K190 Y191 E192 E193 N196 A197L172-Y188 HydrophobicContact CD1-CD1 4.02Å; L172-Y188 HydrophobicContact CD1-CE1 3.82Å; L172-Y188 HydrophobicContact CD2-CD1 3.74Å; L172-Y188 HydrophobicContact CD2-CE1 3.64Å; L172-Y188 HydrophobicContact CD2-CG 4.3Å; L172-Y188 HydrophobicContact CG-CE1 4.33Å; L184-Y188 HydrophobicContact CD2-CD2 3.33Å; L184-Y188 HydrophobicContact CD2-CE2 2.97Å; L184-Y188 HydrophobicContact CD2-CG 4.3Å; L184-Y188 HydrophobicContact CG-CE2 4.27Å; L184-Y188 PolarHBondContact O-N 2.82Å; V185-Y188 PolarHBondContact O-N 3.08Å; Y188-K190 PolarHBondContact O-N 3.06Å; Y188-Y191 PolarHBondContact O-N 3.24Å; Y188-E192 PolarHBondContact O-N 3.23Å; Y188-E192 VanDerWaalsContact O-N 3.11Å; Y188-E193 HydrophobicContact CD1-CB 3.91Å; Y188-E193 WeakPolarHBondContact CE1-OE2 3.33Å; Y188-E193 PolarHBondContact O-N 3.3Å; Y188-N196 HydrophobicContact CD1-CB 4.02Å; Y188-N196 HydrophobicContact CD2-CB 3.75Å; Y188-N196 HydrophobicContact CE1-CB 3.85Å; Y188-N196 HydrophobicContact CE2-CB 3.5Å; Y188-N196 VanDerWaalsContact CE2-CB 3.5Å; Y188-N196 HydrophobicContact CG-CB 4.02Å; Y188-A197 HydrophobicContact CD2-CB 4.45Å
189D92.3Very high91.6Very high27 Ų2743.8 Ų43.814%0.14421%0.208CC..Hα-helixtrans-59.5-45.4173.2175.962.2000111.5V185 F186 E192 I217V185-D189 PolarHBondContact O-N 3.39Å; F186-D189 PolarHBondContact O-N 3.38Å; D189-E192 PolarHBondContact O-N 3.25Å; D189-I217 HydrophobicContact CB-CD1 4.41Å
190K91.1Very high91.6Very high75 Ų7538.9 Ų38.933%0.32619%0.186SC..Hα-helixtrans-73.2-27178.4-62.2-51.6175.4-143.70114.2W163 F186 L187 Y188 E192W163-K190 HydrophobicContact CD2-CD 4.34Å; W163-K190 HydrophobicContact CD2-CG 4.17Å; W163-K190 HydrophobicContact CE3-CB 4.07Å; W163-K190 HydrophobicContact CE3-CD 4.43Å; W163-K190 HydrophobicContact CE3-CG 4.21Å; W163-K190 HydrophobicContact CG-CG 4.39Å; F186-K190 HydrophobicContact CD1-CG 4.47Å; F186-K190 HydrophobicContact CE1-CG 4.02Å; F186-K190 HydrophobicContact CE2-CG 4.4Å; F186-K190 HydrophobicContact CZ-CD 4.49Å; F186-K190 HydrophobicContact CZ-CG 3.98Å; F186-K190 WeakPolarHBondContact O-CG 3.42Å; F186-K190 PolarHBondContact O-N 2.84Å; F186-K190 VanDerWaalsContact O-N 3.08Å; L187-K190 PolarHBondContact O-N 3.49Å; Y188-K190 PolarHBondContact O-N 3.06Å; K190-E192 VanDerWaalsContact C-N 3.25Å
191Y92.3Very high91.6Very high97 Ų9737.8 Ų37.838%0.3818%0.181SC..THydrogen-bonded Turntrans-85.40.8176.5-158.4-119.7000113.1I168 P169 L172 L187 Y188 E193I168-Y191 HydrophobicContact CB-CD2 3.92Å; I168-Y191 HydrophobicContact CB-CE2 4.37Å; I168-Y191 HydrophobicContact CD1-CD2 3.87Å; I168-Y191 HydrophobicContact CG2-CD2 3.72Å; I168-Y191 HydrophobicContact CG2-CE2 4.47Å; I168-Y191 HydrophobicContact CG2-CG 3.84Å; P169-Y191 HydrophobicContact CG-CE2 4.22Å; L172-Y191 HydrophobicContact CD1-CD1 4.4Å; L187-Y191 VanDerWaalsContact O-CB 3.25Å; L187-Y191 WeakPolarHBondContact O-CB 3.48Å; L187-Y191 PolarHBondContact O-N 3.18Å; Y188-Y191 PolarHBondContact O-N 3.24Å; Y191-E193 HydrophobicContact CD1-CB 4.38Å; Y191-E193 HydrophobicContact CD1-CG 3.65Å; Y191-E193 WeakPolarHBondContact CD1-OE1 3.16Å; Y191-E193 HydrophobicContact CE1-CG 4.17Å; Y191-E193 VanDerWaalsContact CE1-OE1 3.23Å; Y191-E193 WeakPolarHBondContact CE1-OE1 3.41Å; Y191-E193 PolarHBondContact O-N 3.3Å
192E90.6Very high91.4Very high143 Ų14337.7 Ų37.767%0.66818%0.182SC*.THydrogen-bonded Turntrans62.116.3-177.9-51.2-177.9155.100114Y188 D189 K190 Y194Y188-E192 PolarHBondContact O-N 3.23Å; Y188-E192 VanDerWaalsContact O-N 3.11Å; D189-E192 PolarHBondContact O-N 3.25Å; K190-E192 VanDerWaalsContact C-N 3.25Å; E192-Y194 HydrophobicContact CB-CE2 3.94Å; E192-Y194 HydrophobicContact CG-CE2 4.5Å; E192-Y194 WeakPolarHBondContact O-CD2 3.48Å; E192-Y194 PolarHBondContact O-N 2.81Å; E192-Y194 VanDerWaalsContact O-N 3.1Å
193E92.4Very high91.4Very high68 Ų6839.6 Ų39.632%0.31819%0.194SC..  trans-86.961.3171.6-77.2-171.9-17400110.4Y188 Y191 D195 N196 A197Y188-E193 HydrophobicContact CD1-CB 3.91Å; Y188-E193 WeakPolarHBondContact CE1-OE2 3.33Å; Y188-E193 PolarHBondContact O-N 3.3Å; Y191-E193 HydrophobicContact CD1-CB 4.38Å; Y191-E193 HydrophobicContact CD1-CG 3.65Å; Y191-E193 WeakPolarHBondContact CD1-OE1 3.16Å; Y191-E193 HydrophobicContact CE1-CG 4.17Å; Y191-E193 VanDerWaalsContact CE1-OE1 3.23Å; Y191-E193 WeakPolarHBondContact CE1-OE1 3.41Å; Y191-E193 PolarHBondContact O-N 3.3Å; E193-D195 PolarHBondContact O-N 3.04Å; E193-N196 HydrophobicContact CB-CB 4.48Å; E193-N196 PolarHBondContact O-N 3.31Å; E193-N196 PolarHBondContact OE2-ND2 3.2Å; E193-A197 PolarHBondContact O-N 3.23Å; E193-A197 VanDerWaalsContact O-N 3.16Å
194Y92.4Very high91.3Very high36 Ų3641.2 Ų41.214%0.14120%0.201CC..Hα-helixtrans-59.8-33.7-176.3-56.2-63000113E192 N196 A197 V198 I217 K220E192-Y194 HydrophobicContact CB-CE2 3.94Å; E192-Y194 HydrophobicContact CG-CE2 4.5Å; E192-Y194 WeakPolarHBondContact O-CD2 3.48Å; E192-Y194 PolarHBondContact O-N 2.81Å; E192-Y194 VanDerWaalsContact O-N 3.1Å; Y194-N196 VanDerWaalsContact C-N 3.34Å; Y194-N196 PolarHBondContact O-N 3.43Å; Y194-A197 WeakPolarHBondContact O-CB 3.3Å; Y194-A197 PolarHBondContact O-N 2.95Å; Y194-V198 WeakPolarHBondContact O-CG2 3.46Å; Y194-V198 PolarHBondContact O-N 3.42Å; Y194-I217 HydrophobicContact CD1-CG2 3.98Å; Y194-I217 HydrophobicContact CG-CG2 4.36Å; Y194-K220 HydrophobicContact CD1-CB 4.39Å; Y194-K220 HydrophobicContact CD1-CD 4.2Å; Y194-K220 HydrophobicContact CD2-CB 3.62Å; Y194-K220 HydrophobicContact CD2-CD 4.33Å; Y194-K220 HydrophobicContact CE1-CB 4.47Å; Y194-K220 HydrophobicContact CE1-CD 3.58Å; Y194-K220 HydrophobicContact CE2-CB 3.74Å; Y194-K220 HydrophobicContact CE2-CD 3.75Å; Y194-K220 HydrophobicContact CE2-CG 4.42Å; Y194-K220 HydrophobicContact CG-CB 3.96Å; Y194-K220 WeakPolarHBondContact OH-CD 3.22Å; Y194-K220 PolarHBondContact OH-NZ 2.97Å
195D91.3Very high91Very high54 Ų5443.3 Ų43.329%0.28921%0.214SC..Hα-helixtrans-58.8-46.5178.9-67.517000111.2E193 L199 V221 L226E193-D195 PolarHBondContact O-N 3.04Å; D195-L199 WeakPolarHBondContact O-CG 3.16Å; D195-L199 PolarHBondContact O-N 3.45Å; D195-L199 VanDerWaalsContact O-N 3.16Å; D195-V221 WeakPolarHBondContact OD1-CG1 3.36Å; D195-L226 HydrophobicContact CB-CD1 3.68Å
196N90.6Very high90.7Very high60 Ų6049.6 Ų49.632%0.32125%0.253SS..Hα-helixtrans-70.6-39.2178.9-66-28.6000111.1Y188 E193 Y194 V198 L199 T200Y188-N196 HydrophobicContact CD1-CB 4.02Å; Y188-N196 HydrophobicContact CD2-CB 3.75Å; Y188-N196 HydrophobicContact CE1-CB 3.85Å; Y188-N196 HydrophobicContact CE2-CB 3.5Å; Y188-N196 VanDerWaalsContact CE2-CB 3.5Å; Y188-N196 HydrophobicContact CG-CB 4.02Å; E193-N196 HydrophobicContact CB-CB 4.48Å; E193-N196 PolarHBondContact O-N 3.31Å; E193-N196 PolarHBondContact OE2-ND2 3.2Å; Y194-N196 VanDerWaalsContact C-N 3.34Å; Y194-N196 PolarHBondContact O-N 3.43Å; N196-V198 VanDerWaalsContact C-N 3.35Å; N196-V198 PolarHBondContact O-N 3.22Å; N196-L199 PolarHBondContact O-N 2.66Å; N196-T200 PolarHBondContact O-N 3.39Å; N196-T200 PolarHBondContact O-OG1 3.06Å
197A92Very high90.2Very high0 Ų053.7 Ų53.70%027%0.273CS..Hα-helixtrans-56.4-47.3175.100000112.2Y188 E193 Y194 T200 M201 I217Y188-A197 HydrophobicContact CD2-CB 4.45Å; E193-A197 PolarHBondContact O-N 3.23Å; E193-A197 VanDerWaalsContact O-N 3.16Å; Y194-A197 WeakPolarHBondContact O-CB 3.3Å; Y194-A197 PolarHBondContact O-N 2.95Å; A197-T200 PolarHBondContact O-N 3.25Å; A197-M201 WeakPolarHBondContact O-CG 3.23Å; A197-M201 PolarHBondContact O-N 3.09Å; A197-I217 HydrophobicContact CB-CD1 4.33Å; A197-I217 HydrophobicContact CB-CG2 4.2Å
198V91.6Very high89.8Confident0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-64.5-44.4179172.10000111Y194 N196 T200 M201 M202 F214 I217 I218 V221 L226Y194-V198 WeakPolarHBondContact O-CG2 3.46Å; Y194-V198 PolarHBondContact O-N 3.42Å; N196-V198 VanDerWaalsContact C-N 3.35Å; N196-V198 PolarHBondContact O-N 3.22Å; V198-T200 VanDerWaalsContact C-N 3.32Å; V198-T200 PolarHBondContact O-N 3.15Å; V198-M201 PolarHBondContact O-N 2.95Å; V198-M202 HydrophobicContact CG1-CG 4.33Å; V198-M202 HydrophobicContact CG1-SD 3.83Å; V198-M202 VanDerWaalsContact O-CG 3.27Å; V198-M202 WeakPolarHBondContact O-CG 3.5Å; V198-M202 PolarHBondContact O-N 3.47Å; V198-F214 HydrophobicContact CG1-CE2 3.93Å; V198-F214 HydrophobicContact CG1-CZ 3.84Å; V198-I217 HydrophobicContact CG2-CG2 3.55Å; V198-I218 HydrophobicContact CG1-CD1 3.9Å; V198-I218 HydrophobicContact CG2-CD1 3.96Å; V198-V221 HydrophobicContact CG2-CG2 3.87Å; V198-L226 HydrophobicContact CG1-CD2 4.31Å
199L91.9Very high89.5Confident68 Ų6854.4 Ų54.436%0.35628%0.276SS..Hα-helixtrans-57.9-44.9177.1-75.4171.8000111.9D195 N196 M202 S203 L226D195-L199 WeakPolarHBondContact O-CG 3.16Å; D195-L199 PolarHBondContact O-N 3.45Å; D195-L199 VanDerWaalsContact O-N 3.16Å; N196-L199 PolarHBondContact O-N 2.66Å; L199-M202 PolarHBondContact O-N 3.05Å; L199-S203 PolarHBondContact O-N 3.4Å; L199-S203 PolarHBondContact O-OG 2.84Å; L199-L226 HydrophobicContact CD1-CD2 4.45Å; L199-L226 HydrophobicContact CD2-CD2 3.53Å; L199-L226 HydrophobicContact CG-CD2 3.68Å
200T90.5Very high89.3Confident14 Ų1458.5 Ų58.59%0.08629%0.293CS..Hα-helixtrans-63.6-41.8177.2-540000112.1W181 L184 V185 N196 A197 V198 M202 S203 H204W181-T200 HydrophobicContact CB-CG2 4.18Å; W181-T200 HydrophobicContact CD2-CG2 4.2Å; W181-T200 HydrophobicContact CE3-CG2 3.47Å; W181-T200 VanDerWaalsContact CE3-CG2 3.47Å; W181-T200 HydrophobicContact CZ3-CG2 4.21Å; L184-T200 HydrophobicContact CD2-CG2 4.2Å; V185-T200 HydrophobicContact CG2-CG2 3.72Å; N196-T200 PolarHBondContact O-N 3.39Å; N196-T200 PolarHBondContact O-OG1 3.06Å; A197-T200 PolarHBondContact O-N 3.25Å; V198-T200 VanDerWaalsContact C-N 3.32Å; V198-T200 PolarHBondContact O-N 3.15Å; T200-M202 VanDerWaalsContact C-N 3.25Å; T200-M202 PolarHBondContact O-N 2.96Å; T200-S203 PolarHBondContact O-N 3.21Å; T200-S203 PolarHBondContact O-OG 3.23Å; T200-H204 PolarHBondContact O-N 3.22Å
201M90.2Very high88.9Confident0 Ų058.2 Ų58.20%029%0.292CS..Hα-helixtrans-63.2-32.6175.4-72.4-175.5173.200112.4V185 A197 V198 A208 Q213 F214 I217V185-M201 HydrophobicContact CG1-CE 3.25Å; V185-M201 HydrophobicContact CG1-CG 4.05Å; V185-M201 HydrophobicContact CG1-SD 4.38Å; V185-M201 HydrophobicContact CG2-CG 4Å; A197-M201 WeakPolarHBondContact O-CG 3.23Å; A197-M201 PolarHBondContact O-N 3.09Å; V198-M201 PolarHBondContact O-N 2.95Å; M201-A208 HydrophobicContact CG-CB 4.21Å; M201-Q213 HydrophobicContact CE-CB 4.21Å; M201-Q213 HydrophobicContact CE-CG 3.81Å; M201-F214 HydrophobicContact CB-CD2 4.06Å; M201-F214 HydrophobicContact CB-CE2 4.22Å; M201-F214 HydrophobicContact SD-CB 4.06Å; M201-F214 HydrophobicContact SD-CD2 3.52Å; M201-F214 VanDerWaalsContact SD-CD2 3.52Å; M201-F214 HydrophobicContact SD-CE2 4.39Å; M201-F214 HydrophobicContact SD-CG 4.23Å; M201-I217 HydrophobicContact CE-CD1 3.67Å
202M89.2Confident88.6Confident35 Ų3555.7 Ų55.717%0.17230%0.295CS..Hα-helixtrans-76.9-38.6178.6-70.7176.760.500112.8V198 L199 T200 F214 R229 A230 F233V198-M202 HydrophobicContact CG1-CG 4.33Å; V198-M202 HydrophobicContact CG1-SD 3.83Å; V198-M202 VanDerWaalsContact O-CG 3.27Å; V198-M202 WeakPolarHBondContact O-CG 3.5Å; V198-M202 PolarHBondContact O-N 3.47Å; L199-M202 PolarHBondContact O-N 3.05Å; T200-M202 VanDerWaalsContact C-N 3.25Å; T200-M202 PolarHBondContact O-N 2.96Å; M202-F214 HydrophobicContact CG-CE2 4.3Å; M202-R229 HydrophobicContact CE-CB 3.8Å; M202-R229 WeakPolarHBondContact CE-O 3.47Å; M202-A230 HydrophobicContact SD-CB 4.29Å; M202-F233 HydrophobicContact CE-CB 3.9Å; M202-F233 HydrophobicContact CG-CB 4.49Å; M202-F233 HydrophobicContact CG-CD1 4.38Å; M202-F233 HydrophobicContact CG-CG 4.28Å
203S89.3Confident88.5Confident72 Ų7251.1 Ų51.150%0.50327%0.274SS..Hα-helixtrans-76.8-27.6177.764.10000112.7L199 T200 P205L199-S203 PolarHBondContact O-N 3.4Å; L199-S203 PolarHBondContact O-OG 2.84Å; T200-S203 PolarHBondContact O-N 3.21Å; T200-S203 PolarHBondContact O-OG 3.23Å; S203-P205 VanDerWaalsContact C-CD 3.48Å; S203-P205 WeakPolarHBondContact O-CD 3.08Å
204H88.8Confident88.5Confident57 Ų5747.9 Ų47.926%0.26426%0.259SS..  trans-125.869.7179.9-54.8-65.5000113.2W181 T200 T206 A208W181-H204 HydrophobicContact CB-CB 4.23Å; W181-H204 AromaticContact CD1-CG 3.65Å; W181-H204 HydrophobicContact CD2-CB 4.35Å; W181-H204 AromaticContact CD2-CD2 3.3Å; W181-H204 AromaticContact CD2-CG 3.72Å; W181-H204 AromaticContact CD2-NE2 3.82Å; W181-H204 AromaticContact CE2-CD2 3.37Å; W181-H204 AromaticContact CE2-CE1 3.63Å; W181-H204 AromaticContact CE2-CG 3.65Å; W181-H204 AromaticContact CE2-ND1 3.79Å; W181-H204 AromaticContact CE2-NE2 3.43Å; W181-H204 AromaticContact CE3-CD2 3.62Å; W181-H204 HydrophobicContact CG-CB 3.87Å; W181-H204 AromaticContact CG-CD2 3.78Å; W181-H204 AromaticContact CG-CG 3.73Å; W181-H204 AromaticContact CH2-CD2 3.99Å; W181-H204 AromaticContact CH2-NE2 3.53Å; W181-H204 AromaticContact CZ2-CD2 3.74Å; W181-H204 AromaticContact CZ2-CE1 3.58Å; W181-H204 AromaticContact CZ2-NE2 3.29Å; W181-H204 VanDerWaalsContact CZ2-NE2 3.29Å; W181-H204 WeakPolarHBondContact CZ2-NE2 3.43Å; W181-H204 AromaticContact CZ3-CD2 3.94Å; W181-H204 AromaticContact CZ3-NE2 3.9Å; W181-H204 AromaticContact NE1-CD2 3.84Å; W181-H204 AromaticContact NE1-CE1 3.84Å; W181-H204 AromaticContact NE1-CG 3.61Å; W181-H204 AromaticContact NE1-ND1 3.6Å; T200-H204 PolarHBondContact O-N 3.22Å; H204-T206 VanDerWaalsContact C-N 3.32Å; H204-T206 PolarHBondContact O-N 2.78Å; H204-A208 PolarHBondContact O-N 3.27Å
205P86.1Confident88.3Confident44 Ų4447.5 Ų47.529%0.28626%0.258SS..THydrogen-bonded Turntrans-63.4-28.9-174.5-28.439.7000115.9S203 W209 F233S203-P205 VanDerWaalsContact C-CD 3.48Å; S203-P205 WeakPolarHBondContact O-CD 3.08Å; P205-W209 WeakPolarHBondContact O-CB 2.95Å; P205-F233 HydrophobicContact CB-CE2 4.09Å; P205-F233 HydrophobicContact CB-CZ 3.77Å; P205-F233 HydrophobicContact CG-CE2 3.37Å; P205-F233 HydrophobicContact CG-CZ 3.55Å
206T84.2Confident88.3Confident133 Ų13350 Ų5082%0.81627%0.271SS*.THydrogen-bonded Turntrans-76.5-30.7-171.844.40000113.2H204H204-T206 VanDerWaalsContact C-N 3.32Å; H204-T206 PolarHBondContact O-N 2.78Å
207E83.1Confident88.3Confident119 Ų11947.2 Ų47.256%0.55626%0.256SS*.THydrogen-bonded Turntrans-109.3-40.2-170-65.7177.2-167.400112.2W181W181-E207 VanDerWaalsContact CD1-OE2 3.29Å
208A82.4Confident88.2Confident3 Ų347.2 Ų47.23%0.02526%0.256CS..THydrogen-bonded Turntrans-94.3-28.1-173.700000114.2W181 V185 M201 H204 K210W181-A208 HydrophobicContact CB-CB 4.03Å; V185-A208 HydrophobicContact CG2-CB 3.9Å; M201-A208 HydrophobicContact CG-CB 4.21Å; H204-A208 PolarHBondContact O-N 3.27Å; A208-K210 PolarHBondContact O-N 3.24Å
209W87.9Confident88.1Confident37 Ų3750 Ų5014%0.1427%0.273CS..  trans-75.8123.5-169.3-174.891.7000111.6P205 E211 F214 F233 Y234 K238 L241P205-W209 WeakPolarHBondContact O-CB 2.95Å; W209-E211 HydrophobicContact CH2-CB 3.55Å; W209-E211 HydrophobicContact CH2-CG 3.95Å; W209-E211 HydrophobicContact CZ2-CB 4.07Å; W209-E211 HydrophobicContact CZ2-CG 4.24Å; W209-E211 HydrophobicContact CZ3-CB 4.04Å; W209-F214 AromaticContact CD1-CD2 3.86Å; W209-F214 AromaticContact NE1-CD2 3.98Å; W209-F233 AromaticContact CD1-CE1 3.99Å; W209-Y234 AromaticContact CZ2-CE1 3.91Å; W209-Y234 HydrophobicContact CZ2-CE1 3.91Å; W209-Y234 AromaticContact CZ2-CZ 3.9Å; W209-Y234 WeakPolarHBondContact CZ2-OH 3.34Å; W209-Y234 AromaticContact NE1-CE2 3.92Å; W209-Y234 AromaticContact NE1-CZ 3.54Å; W209-Y234 PolarHBondContact NE1-OH 3.36Å; W209-K238 HydrophobicContact CH2-CD 3.7Å; W209-K238 HydrophobicContact CZ2-CD 3.84Å; W209-K238 HydrophobicContact CZ3-CD 4.23Å; W209-L241 HydrophobicContact CH2-CD1 3.92Å; W209-L241 HydrophobicContact CZ2-CD1 4.38Å
210K87.8Confident88Confident114 Ų11451.8 Ų51.850%0.49628%0.278SS..  trans-129.8130.7167.6-65.3180-174.41710108.6A208 G212 Q213 F214A208-K210 PolarHBondContact O-N 3.24Å; K210-G212 PolarHBondContact O-N 3.44Å; K210-Q213 HydrophobicContact CB-CB 4Å; K210-Q213 PolarHBondContact O-N 2.96Å; K210-F214 WeakPolarHBondContact O-CB 3.22Å; K210-F214 PolarHBondContact O-N 3.35Å
211E82Confident87.9Confident69 Ų6951.1 Ų51.132%0.32227%0.274SS..Hα-helixtrans-57.5-55.2-169.8-169.8-169.5145.500113.3W209 F214 K215 L241W209-E211 HydrophobicContact CH2-CB 3.55Å; W209-E211 HydrophobicContact CH2-CG 3.95Å; W209-E211 HydrophobicContact CZ2-CB 4.07Å; W209-E211 HydrophobicContact CZ2-CG 4.24Å; W209-E211 HydrophobicContact CZ3-CB 4.04Å; E211-F214 PolarHBondContact O-N 3.35Å; E211-K215 HydrophobicContact CG-CD 4.44Å; E211-K215 WeakPolarHBondContact O-CG 3.38Å; E211-K215 PolarHBondContact O-N 3Å; E211-K215 VanDerWaalsContact O-N 3.13Å; E211-K215 IonicContact OE1-NZ 3.93Å; E211-K215 PolarHBondContact OE1-NZ 2.99Å; E211-L241 HydrophobicContact CG-CD1 4.35Å
212G86.4Confident87.6Confident43 Ų4355 Ų5544%0.44331%0.306SS..Hα-helixtrans-62.6-45-179.300000111.9K210 F214 K215 D216K210-G212 PolarHBondContact O-N 3.44Å; G212-F214 VanDerWaalsContact C-N 3.33Å; G212-F214 PolarHBondContact O-N 2.73Å; G212-K215 PolarHBondContact O-N 2.92Å; G212-D216 PolarHBondContact O-N 3.25Å
213Q88.8Confident87.5Confident47 Ų4756.5 Ų56.522%0.2232%0.315CS..Hα-helixtrans-61.9-40.7179.6-167.2-178.5-2.100111.9M201 K210 D216 I217M201-Q213 HydrophobicContact CE-CB 4.21Å; M201-Q213 HydrophobicContact CE-CG 3.81Å; K210-Q213 HydrophobicContact CB-CB 4Å; K210-Q213 PolarHBondContact O-N 2.96Å; Q213-D216 PolarHBondContact O-N 2.81Å; Q213-I217 HydrophobicContact CG-CD1 3.76Å; Q213-I217 HydrophobicContact CG-CG1 4.42Å; Q213-I217 WeakPolarHBondContact O-CB 3.47Å; Q213-I217 VanDerWaalsContact O-CG1 3.23Å; Q213-I217 WeakPolarHBondContact O-CG1 3.33Å; Q213-I217 PolarHBondContact O-N 3.21Å
214F91.3Very high87.3Confident0 Ų055.3 Ų55.30%030%0.304CS..Hα-helixtrans-62.7-44.8176.5-169.8-77.5000111.3V198 M201 M202 W209 K210 E211 G212 D216 I217 I218 A230 Y234 L245V198-F214 HydrophobicContact CG1-CE2 3.93Å; V198-F214 HydrophobicContact CG1-CZ 3.84Å; M201-F214 HydrophobicContact CB-CD2 4.06Å; M201-F214 HydrophobicContact CB-CE2 4.22Å; M201-F214 HydrophobicContact SD-CB 4.06Å; M201-F214 HydrophobicContact SD-CD2 3.52Å; M201-F214 VanDerWaalsContact SD-CD2 3.52Å; M201-F214 HydrophobicContact SD-CE2 4.39Å; M201-F214 HydrophobicContact SD-CG 4.23Å; M202-F214 HydrophobicContact CG-CE2 4.3Å; W209-F214 AromaticContact CD1-CD2 3.86Å; W209-F214 AromaticContact NE1-CD2 3.98Å; K210-F214 WeakPolarHBondContact O-CB 3.22Å; K210-F214 PolarHBondContact O-N 3.35Å; E211-F214 PolarHBondContact O-N 3.35Å; G212-F214 VanDerWaalsContact C-N 3.33Å; G212-F214 PolarHBondContact O-N 2.73Å; F214-D216 VanDerWaalsContact C-N 3.3Å; F214-D216 PolarHBondContact O-N 2.96Å; F214-I217 PolarHBondContact O-N 2.7Å; F214-I218 HydrophobicContact CD1-CB 4.42Å; F214-I218 HydrophobicContact CD1-CG2 4.47Å; F214-I218 HydrophobicContact CE1-CB 4.15Å; F214-I218 HydrophobicContact CE1-CD1 4.36Å; F214-I218 HydrophobicContact CE1-CG1 4.29Å; F214-I218 HydrophobicContact CE1-CG2 4.47Å; F214-I218 HydrophobicContact CZ-CD1 4.45Å; F214-I218 WeakPolarHBondContact O-CB 3.47Å; F214-I218 WeakPolarHBondContact O-CG2 3.14Å; F214-I218 PolarHBondContact O-N 3.44Å; F214-A230 HydrophobicContact CE1-CB 4.12Å; F214-A230 HydrophobicContact CZ-CB 3.77Å; F214-Y234 AromaticContact CD1-CE2 3.66Å; F214-Y234 HydrophobicContact CD1-CE2 3.66Å; F214-Y234 AromaticContact CD1-CZ 3.77Å; F214-Y234 WeakPolarHBondContact CD1-OH 3.28Å; F214-Y234 HydrophobicContact CD2-CE2 4.44Å; F214-Y234 HydrophobicContact CE1-CD2 4.38Å; F214-Y234 AromaticContact CE1-CE2 3.43Å; F214-Y234 HydrophobicContact CE1-CE2 3.43Å; F214-Y234 VanDerWaalsContact CE1-CE2 3.43Å; F214-Y234 HydrophobicContact CE2-CE2 4.27Å; F214-Y234 HydrophobicContact CG-CE2 4.19Å; F214-Y234 VanDerWaalsContact CG-OH 3.27Å; F214-Y234 WeakPolarHBondContact CG-OH 3.43Å; F214-Y234 AromaticContact CZ-CE2 3.77Å; F214-Y234 HydrophobicContact CZ-CE2 3.77Å; F214-L245 HydrophobicContact CD1-CD1 4.27Å; F214-L245 HydrophobicContact CE1-CD1 4.2Å
215K88.9Confident87.2Confident29 Ų2957.1 Ų57.113%0.12631%0.313CS..Hα-helixtrans-60.4-39.1178-73.6172.6173.51730111.6E211 G212 I218 T219 D244E211-K215 HydrophobicContact CG-CD 4.44Å; E211-K215 WeakPolarHBondContact O-CG 3.38Å; E211-K215 PolarHBondContact O-N 3Å; E211-K215 VanDerWaalsContact O-N 3.13Å; E211-K215 IonicContact OE1-NZ 3.93Å; E211-K215 PolarHBondContact OE1-NZ 2.99Å; G212-K215 PolarHBondContact O-N 2.92Å; K215-I218 WeakPolarHBondContact O-CG2 3.35Å; K215-T219 WeakPolarHBondContact O-CG2 3.44Å; K215-D244 IonicContact NZ-OD2 2.66Å; K215-D244 PolarHBondContact NZ-OD2 3.06Å; K215-D244 VanDerWaalsContact NZ-OD2 3.12Å
216D90.3Very high87.4Confident106 Ų10655.5 Ų55.557%0.56730%0.302SS*.Hα-helixtrans-72-43.8178.6-66.1-24.8000112.1G212 Q213 F214 T219G212-D216 PolarHBondContact O-N 3.25Å; Q213-D216 PolarHBondContact O-N 2.81Å; F214-D216 VanDerWaalsContact C-N 3.3Å; F214-D216 PolarHBondContact O-N 2.96Å; D216-T219 PolarHBondContact O-OG1 3.42Å
217I91.2Very high87.5Confident1 Ų149.2 Ų49.21%0.00526%0.264CS..Hα-helixtrans-66.4-45.8-178.3-68.8171.8000111.1D189 Y194 A197 V198 M201 Q213 F214 T219 K220 V221D189-I217 HydrophobicContact CB-CD1 4.41Å; Y194-I217 HydrophobicContact CD1-CG2 3.98Å; Y194-I217 HydrophobicContact CG-CG2 4.36Å; A197-I217 HydrophobicContact CB-CD1 4.33Å; A197-I217 HydrophobicContact CB-CG2 4.2Å; V198-I217 HydrophobicContact CG2-CG2 3.55Å; M201-I217 HydrophobicContact CE-CD1 3.67Å; Q213-I217 HydrophobicContact CG-CD1 3.76Å; Q213-I217 HydrophobicContact CG-CG1 4.42Å; Q213-I217 WeakPolarHBondContact O-CB 3.47Å; Q213-I217 VanDerWaalsContact O-CG1 3.23Å; Q213-I217 WeakPolarHBondContact O-CG1 3.33Å; Q213-I217 PolarHBondContact O-N 3.21Å; F214-I217 PolarHBondContact O-N 2.7Å; I217-T219 PolarHBondContact O-N 3.43Å; I217-T219 VanDerWaalsContact O-N 3.16Å; I217-K220 PolarHBondContact O-N 3.28Å; I217-V221 PolarHBondContact O-N 3.43Å
218I89.8Confident87.7Confident0 Ų045.1 Ų45.10%024%0.243CC..Hα-helixtrans-62.8-26.9-174.3-162.870000112.7V198 F214 K215 K220 V221 A230 L245 L249V198-I218 HydrophobicContact CG1-CD1 3.9Å; V198-I218 HydrophobicContact CG2-CD1 3.96Å; F214-I218 HydrophobicContact CD1-CB 4.42Å; F214-I218 HydrophobicContact CD1-CG2 4.47Å; F214-I218 HydrophobicContact CE1-CB 4.15Å; F214-I218 HydrophobicContact CE1-CD1 4.36Å; F214-I218 HydrophobicContact CE1-CG1 4.29Å; F214-I218 HydrophobicContact CE1-CG2 4.47Å; F214-I218 HydrophobicContact CZ-CD1 4.45Å; F214-I218 WeakPolarHBondContact O-CB 3.47Å; F214-I218 WeakPolarHBondContact O-CG2 3.14Å; F214-I218 PolarHBondContact O-N 3.44Å; K215-I218 WeakPolarHBondContact O-CG2 3.35Å; I218-K220 PolarHBondContact O-N 3.47Å; I218-V221 HydrophobicContact CD1-CG2 4.37Å; I218-A230 HydrophobicContact CD1-CB 4.24Å; I218-L245 HydrophobicContact CG2-CD1 3.96Å; I218-L249 HydrophobicContact CB-CD2 4.48Å; I218-L249 HydrophobicContact CG1-CD1 4.4Å; I218-L249 HydrophobicContact CG1-CD2 3.91Å; I218-L249 HydrophobicContact CG2-CD2 3.89Å; I218-L249 HydrophobicContact CG2-CG 4.45Å
219T89.9Confident88Confident58 Ų5850.8 Ų50.836%0.35626%0.264SS..Hα-helixtrans-66.5-2817661.90000113.2K215 D216 I217 V248 R252K215-T219 WeakPolarHBondContact O-CG2 3.44Å; D216-T219 PolarHBondContact O-OG1 3.42Å; I217-T219 PolarHBondContact O-N 3.43Å; I217-T219 VanDerWaalsContact O-N 3.16Å; T219-V248 HydrophobicContact CG2-CG1 3.12Å; T219-R252 PolarHBondContact O-NH1 3.44Å
220K89.1Confident88.1Confident107 Ų10749 Ų4947%0.46526%0.257SS..Hα-helixtrans-91.3-18.3-176.1-56.7179.3-174.1172.10113.6Y194 I217 I218 A222Y194-K220 HydrophobicContact CD1-CB 4.39Å; Y194-K220 HydrophobicContact CD1-CD 4.2Å; Y194-K220 HydrophobicContact CD2-CB 3.62Å; Y194-K220 HydrophobicContact CD2-CD 4.33Å; Y194-K220 HydrophobicContact CE1-CB 4.47Å; Y194-K220 HydrophobicContact CE1-CD 3.58Å; Y194-K220 HydrophobicContact CE2-CB 3.74Å; Y194-K220 HydrophobicContact CE2-CD 3.75Å; Y194-K220 HydrophobicContact CE2-CG 4.42Å; Y194-K220 HydrophobicContact CG-CB 3.96Å; Y194-K220 WeakPolarHBondContact OH-CD 3.22Å; Y194-K220 PolarHBondContact OH-NZ 2.97Å; I217-K220 PolarHBondContact O-N 3.28Å; I218-K220 PolarHBondContact O-N 3.47Å; K220-A222 PolarHBondContact O-N 2.91Å
221V88.6Confident88.1Confident0 Ų043.6 Ų43.60%023%0.234CC..  trans-59.2127.7178.9163.80000110.8D195 V198 I217 I218 N223 L226 R252D195-V221 WeakPolarHBondContact OD1-CG1 3.36Å; V198-V221 HydrophobicContact CG2-CG2 3.87Å; I217-V221 PolarHBondContact O-N 3.43Å; I218-V221 HydrophobicContact CD1-CG2 4.37Å; V221-N223 HydrophobicContact CG1-CB 4.39Å; V221-N223 WeakPolarHBondContact CG1-O 3.49Å; V221-L226 HydrophobicContact CG1-CB 4.01Å; V221-L226 HydrophobicContact CG1-CD1 3.99Å; V221-R252 PolarHBondContact O-NH1 3.44Å; V221-R252 PolarHBondContact O-NH2 3.27Å
222A84.4Confident88.4Confident81 Ų8145.1 Ų45.167%0.66924%0.241SC*.SBendtrans-75.1-35.7-179.500000112.4K220 V224 R252K220-A222 PolarHBondContact O-N 2.91Å; A222-V224 PolarHBondContact O-N 3.33Å; A222-R252 PolarHBondContact O-NH2 2.91Å
223N86.9Confident88.6Confident66 Ų6643.8 Ų43.835%0.35322%0.223SC..  trans-78.3115.9-174-174.7-3.7000112.7V221 E225 L226V221-N223 HydrophobicContact CG1-CB 4.39Å; V221-N223 WeakPolarHBondContact CG1-O 3.49Å; N223-E225 VanDerWaalsContact C-N 3.31Å; N223-E225 PolarHBondContact O-N 3Å; N223-E225 VanDerWaalsContact OD1-CB 3.26Å; N223-E225 WeakPolarHBondContact OD1-CB 3.36Å; N223-E225 PolarHBondContact OD1-N 3.09Å; N223-L226 HydrophobicContact CB-CD1 4.17Å; N223-L226 PolarHBondContact O-N 3.37Å
224V85.1Confident88.5Confident47 Ų4741.6 Ų41.629%0.28521%0.212SC..Hα-helixtrans-70.2-26.3179.5-172.60000112.4A222 L226 C227 Y228A222-V224 PolarHBondContact O-N 3.33Å; V224-L226 PolarHBondContact O-N 3.28Å; V224-C227 VanDerWaalsContact O-CB 3.28Å; V224-C227 WeakPolarHBondContact O-CB 3.35Å; V224-C227 PolarHBondContact O-N 3.12Å; V224-Y228 HydrophobicContact CG1-CD2 4.48Å; V224-Y228 HydrophobicContact CG1-CE1 4.5Å; V224-Y228 HydrophobicContact CG1-CE2 3.77Å; V224-Y228 PolarHBondContact O-N 3.49Å
225E87.6Confident88.4Confident96 Ų9642.2 Ų42.245%0.44922%0.216SC..Hα-helixtrans-62.1-35.3177.9-163.7-163.9154.600111.6N223 C227 Y228 R229N223-E225 VanDerWaalsContact C-N 3.31Å; N223-E225 PolarHBondContact O-N 3Å; N223-E225 VanDerWaalsContact OD1-CB 3.26Å; N223-E225 WeakPolarHBondContact OD1-CB 3.36Å; N223-E225 PolarHBondContact OD1-N 3.09Å; E225-C227 VanDerWaalsContact C-N 3.29Å; E225-C227 PolarHBondContact O-N 3.28Å; E225-Y228 PolarHBondContact O-N 3.38Å; E225-Y228 VanDerWaalsContact O-N 3.16Å; E225-R229 WeakPolarHBondContact O-CG 3.33Å; E225-R229 PolarHBondContact O-N 2.87Å; E225-R229 IonicContact OE1-CZ 2.8Å; E225-R229 VanDerWaalsContact OE1-CZ 3.29Å; E225-R229 IonicContact OE1-NE 3.31Å; E225-R229 PolarHBondContact OE1-NE 3.04Å; E225-R229 VanDerWaalsContact OE1-NE 3.13Å; E225-R229 IonicContact OE1-NH2 3.65Å; E225-R229 PolarHBondContact OE1-NH2 3.24Å
226L88.7Confident88.3Confident9 Ų945.7 Ų45.75%0.04724%0.236CC..Hα-helixtrans-62.5-36.6174.8-89.1164.5000111.9D195 V198 L199 V221 N223 V224 Y228 R229 A230D195-L226 HydrophobicContact CB-CD1 3.68Å; V198-L226 HydrophobicContact CG1-CD2 4.31Å; L199-L226 HydrophobicContact CD1-CD2 4.45Å; L199-L226 HydrophobicContact CD2-CD2 3.53Å; L199-L226 HydrophobicContact CG-CD2 3.68Å; V221-L226 HydrophobicContact CG1-CB 4.01Å; V221-L226 HydrophobicContact CG1-CD1 3.99Å; N223-L226 HydrophobicContact CB-CD1 4.17Å; N223-L226 PolarHBondContact O-N 3.37Å; V224-L226 PolarHBondContact O-N 3.28Å; L226-Y228 VanDerWaalsContact C-N 3.33Å; L226-Y228 PolarHBondContact O-N 2.85Å; L226-R229 PolarHBondContact O-N 3.33Å; L226-A230 VanDerWaalsContact O-CB 3.25Å; L226-A230 WeakPolarHBondContact O-CB 3.5Å; L226-A230 PolarHBondContact O-N 3.24Å
227C86.4Confident88Confident2 Ų248.3 Ų48.31%0.01424%0.239CC..Hα-helixtrans-61.7-42.5173.8-59.90000111.2V224 E225 A230 L231 L249 L253V224-C227 VanDerWaalsContact O-CB 3.28Å; V224-C227 WeakPolarHBondContact O-CB 3.35Å; V224-C227 PolarHBondContact O-N 3.12Å; E225-C227 VanDerWaalsContact C-N 3.29Å; E225-C227 PolarHBondContact O-N 3.28Å; C227-A230 WeakPolarHBondContact O-CB 3.5Å; C227-A230 PolarHBondContact O-N 3.14Å; C227-L231 WeakPolarHBondContact O-CG 3.19Å; C227-L231 PolarHBondContact O-N 3.02Å; C227-L249 HydrophobicContact CB-CD1 4.36Å; C227-L253 HydrophobicContact CB-CD2 4.25Å
228Y87.6Confident87.7Confident32 Ų3251.9 Ų51.913%0.12526%0.255CS..Hα-helixtrans-66.3-41.9178-61.6-40.2000112.6V224 E225 L226 A230 L231 Q232 L253 D254 W257V224-Y228 HydrophobicContact CG1-CD2 4.48Å; V224-Y228 HydrophobicContact CG1-CE1 4.5Å; V224-Y228 HydrophobicContact CG1-CE2 3.77Å; V224-Y228 PolarHBondContact O-N 3.49Å; E225-Y228 PolarHBondContact O-N 3.38Å; E225-Y228 VanDerWaalsContact O-N 3.16Å; L226-Y228 VanDerWaalsContact C-N 3.33Å; L226-Y228 PolarHBondContact O-N 2.85Å; Y228-A230 VanDerWaalsContact C-N 3.33Å; Y228-L231 HydrophobicContact CD1-CD1 4.42Å; Y228-L231 PolarHBondContact O-N 3.37Å; Y228-Q232 PolarHBondContact O-N 2.99Å; Y228-Q232 VanDerWaalsContact O-N 3.15Å; Y228-L253 HydrophobicContact CD1-CD2 4.06Å; Y228-L253 HydrophobicContact CE1-CD2 3.66Å; Y228-D254 WeakPolarHBondContact OH-CB 3.4Å; Y228-D254 PolarHBondContact OH-N 3.29Å; Y228-D254 PolarHBondContact OH-OD2 3.47Å; Y228-W257 AromaticContact CD1-CD2 3.97Å; Y228-W257 HydrophobicContact CD1-CD2 3.97Å; Y228-W257 AromaticContact CD1-CE3 3.24Å; Y228-W257 HydrophobicContact CD1-CE3 3.24Å; Y228-W257 AromaticContact CD1-CH2 3.66Å; Y228-W257 HydrophobicContact CD1-CH2 3.66Å; Y228-W257 HydrophobicContact CD1-CZ2 4.29Å; Y228-W257 AromaticContact CD1-CZ3 3.08Å; Y228-W257 HydrophobicContact CD1-CZ3 3.08Å; Y228-W257 AromaticContact CE1-CD2 3.85Å; Y228-W257 HydrophobicContact CE1-CD2 3.85Å; Y228-W257 AromaticContact CE1-CE3 3.27Å; Y228-W257 HydrophobicContact CE1-CE3 3.27Å; Y228-W257 HydrophobicContact CE1-CG 4.49Å; Y228-W257 HydrophobicContact CE1-CH2 4.49Å; Y228-W257 AromaticContact CE1-CZ3 3.68Å; Y228-W257 HydrophobicContact CE1-CZ3 3.68Å; Y228-W257 HydrophobicContact CE2-CD2 4.49Å; Y228-W257 HydrophobicContact CG-CD2 4.35Å; Y228-W257 AromaticContact CG-CE3 3.96Å; Y228-W257 HydrophobicContact CG-CE3 3.96Å; Y228-W257 AromaticContact CG-CH2 3.69Å; Y228-W257 HydrophobicContact CG-CH2 3.69Å; Y228-W257 HydrophobicContact CG-CZ2 4.05Å; Y228-W257 AromaticContact CG-CZ3 3.64Å; Y228-W257 HydrophobicContact CG-CZ3 3.64Å
229R88.9Confident87.4Confident123 Ų12354.2 Ų54.246%0.46427%0.269SS..Hα-helixtrans-64.8-38.5173.3-64.2-176.8-175.9-169.62.5111.6M202 E225 L226 L231 Q232 F233M202-R229 HydrophobicContact CE-CB 3.8Å; M202-R229 WeakPolarHBondContact CE-O 3.47Å; E225-R229 WeakPolarHBondContact O-CG 3.33Å; E225-R229 PolarHBondContact O-N 2.87Å; E225-R229 IonicContact OE1-CZ 2.8Å; E225-R229 VanDerWaalsContact OE1-CZ 3.29Å; E225-R229 IonicContact OE1-NE 3.31Å; E225-R229 PolarHBondContact OE1-NE 3.04Å; E225-R229 VanDerWaalsContact OE1-NE 3.13Å; E225-R229 IonicContact OE1-NH2 3.65Å; E225-R229 PolarHBondContact OE1-NH2 3.24Å; L226-R229 PolarHBondContact O-N 3.33Å; R229-L231 VanDerWaalsContact C-N 3.35Å; R229-Q232 WeakPolarHBondContact O-CB 3.49Å; R229-Q232 PolarHBondContact O-N 3.25Å; R229-F233 PolarHBondContact O-N 3.37Å
230A90.1Very high87.3Confident0 Ų058.6 Ų58.60%029%0.29CS..Hα-helixtrans-62.7-41174.900000111.6M202 F214 I218 L226 C227 Y228 Q232 F233 Y234M202-A230 HydrophobicContact SD-CB 4.29Å; F214-A230 HydrophobicContact CE1-CB 4.12Å; F214-A230 HydrophobicContact CZ-CB 3.77Å; I218-A230 HydrophobicContact CD1-CB 4.24Å; L226-A230 VanDerWaalsContact O-CB 3.25Å; L226-A230 WeakPolarHBondContact O-CB 3.5Å; L226-A230 PolarHBondContact O-N 3.24Å; C227-A230 WeakPolarHBondContact O-CB 3.5Å; C227-A230 PolarHBondContact O-N 3.14Å; Y228-A230 VanDerWaalsContact C-N 3.33Å; A230-Q232 VanDerWaalsContact C-N 3.32Å; A230-Q232 PolarHBondContact O-N 3.49Å; A230-F233 WeakPolarHBondContact O-CB 3.38Å; A230-F233 PolarHBondContact O-N 3.42Å; A230-Y234 WeakPolarHBondContact O-CD2 3.37Å; A230-Y234 PolarHBondContact O-N 3.42Å
231L87.4Confident87.2Confident0 Ų055.6 Ų55.60%028%0.279CS..Hα-helixtrans-60.2-42.3174.6-72.1175.7000112C227 Y228 R229 Y234 L235 I242 L245 L246 L253C227-L231 WeakPolarHBondContact O-CG 3.19Å; C227-L231 PolarHBondContact O-N 3.02Å; Y228-L231 HydrophobicContact CD1-CD1 4.42Å; Y228-L231 PolarHBondContact O-N 3.37Å; R229-L231 VanDerWaalsContact C-N 3.35Å; L231-Y234 PolarHBondContact O-N 3.01Å; L231-L235 VanDerWaalsContact O-CB 3.31Å; L231-L235 WeakPolarHBondContact O-CB 2.75Å; L231-L235 PolarHBondContact O-N 3.47Å; L231-I242 HydrophobicContact CD2-CG1 4.29Å; L231-L245 HydrophobicContact CD2-CD2 4.12Å; L231-L246 HydrophobicContact CD1-CD2 4.05Å; L231-L246 HydrophobicContact CD2-CD2 3.48Å; L231-L246 VanDerWaalsContact CD2-CD2 3.48Å; L231-L246 HydrophobicContact CD2-CG 3.96Å; L231-L246 HydrophobicContact CG-CD2 4.44Å; L231-L253 HydrophobicContact CD1-CD1 4.44Å; L231-L253 HydrophobicContact CD1-CD2 4.06Å
232Q89.1Confident87.1Confident101 Ų10155.6 Ų55.647%0.47228%0.279SS..Hα-helixtrans-60.8-45.9174.3-176.6176-5.900111.4Y228 R229 A230 Y234 L235 D236 F261Y228-Q232 PolarHBondContact O-N 2.99Å; Y228-Q232 VanDerWaalsContact O-N 3.15Å; R229-Q232 WeakPolarHBondContact O-CB 3.49Å; R229-Q232 PolarHBondContact O-N 3.25Å; A230-Q232 VanDerWaalsContact C-N 3.32Å; A230-Q232 PolarHBondContact O-N 3.49Å; Q232-Y234 PolarHBondContact O-N 3.13Å; Q232-L235 WeakPolarHBondContact O-CB 3.14Å; Q232-L235 PolarHBondContact O-N 2.89Å; Q232-D236 WeakPolarHBondContact O-CB 3.28Å; Q232-D236 VanDerWaalsContact O-CG 3.26Å; Q232-D236 PolarHBondContact O-N 3.06Å; Q232-F261 HydrophobicContact CB-CZ 4.06Å; Q232-F261 HydrophobicContact CG-CZ 4.45Å
233F89.6Confident87.3Confident14 Ų1452.8 Ų52.86%0.06125%0.252CS..Hα-helixtrans-59.9-44.4176.8171.2-98.7000113M202 P205 W209 R229 A230 L235 D236 Y237M202-F233 HydrophobicContact CE-CB 3.9Å; M202-F233 HydrophobicContact CG-CB 4.49Å; M202-F233 HydrophobicContact CG-CD1 4.38Å; M202-F233 HydrophobicContact CG-CG 4.28Å; P205-F233 HydrophobicContact CB-CE2 4.09Å; P205-F233 HydrophobicContact CB-CZ 3.77Å; P205-F233 HydrophobicContact CG-CE2 3.37Å; P205-F233 HydrophobicContact CG-CZ 3.55Å; W209-F233 AromaticContact CD1-CE1 3.99Å; R229-F233 PolarHBondContact O-N 3.37Å; A230-F233 WeakPolarHBondContact O-CB 3.38Å; A230-F233 PolarHBondContact O-N 3.42Å; F233-L235 VanDerWaalsContact C-N 3.33Å; F233-L235 PolarHBondContact O-N 3.19Å; F233-D236 PolarHBondContact O-N 3Å; F233-Y237 AromaticContact CD2-CD2 3.37Å; F233-Y237 HydrophobicContact CD2-CD2 3.37Å; F233-Y237 AromaticContact CD2-CE2 3.67Å; F233-Y237 HydrophobicContact CD2-CE2 3.67Å; F233-Y237 HydrophobicContact CD2-CG 4.42Å; F233-Y237 AromaticContact CE2-CD2 3.37Å; F233-Y237 HydrophobicContact CE2-CD2 3.37Å; F233-Y237 AromaticContact CE2-CE2 3.76Å; F233-Y237 HydrophobicContact CE2-CE2 3.76Å; F233-Y237 HydrophobicContact CE2-CG 4.06Å; F233-Y237 HydrophobicContact CG-CD2 4.24Å; F233-Y237 HydrophobicContact CZ-CD2 4.25Å; F233-Y237 WeakPolarHBondContact O-CD2 3.44Å; F233-Y237 PolarHBondContact O-N 3.25Å
234Y88.7Confident87.2Confident1 Ų152.9 Ų52.90%0.00425%0.253CS..Hα-helixtrans-66.7-36.2175.9-88-104.8000112W209 F214 A230 L231 Q232 K238 L241 L245W209-Y234 AromaticContact CZ2-CE1 3.91Å; W209-Y234 HydrophobicContact CZ2-CE1 3.91Å; W209-Y234 AromaticContact CZ2-CZ 3.9Å; W209-Y234 WeakPolarHBondContact CZ2-OH 3.34Å; W209-Y234 AromaticContact NE1-CE2 3.92Å; W209-Y234 AromaticContact NE1-CZ 3.54Å; W209-Y234 PolarHBondContact NE1-OH 3.36Å; F214-Y234 AromaticContact CD1-CE2 3.66Å; F214-Y234 HydrophobicContact CD1-CE2 3.66Å; F214-Y234 AromaticContact CD1-CZ 3.77Å; F214-Y234 WeakPolarHBondContact CD1-OH 3.28Å; F214-Y234 HydrophobicContact CD2-CE2 4.44Å; F214-Y234 HydrophobicContact CE1-CD2 4.38Å; F214-Y234 AromaticContact CE1-CE2 3.43Å; F214-Y234 HydrophobicContact CE1-CE2 3.43Å; F214-Y234 VanDerWaalsContact CE1-CE2 3.43Å; F214-Y234 HydrophobicContact CE2-CE2 4.27Å; F214-Y234 HydrophobicContact CG-CE2 4.19Å; F214-Y234 VanDerWaalsContact CG-OH 3.27Å; F214-Y234 WeakPolarHBondContact CG-OH 3.43Å; F214-Y234 AromaticContact CZ-CE2 3.77Å; F214-Y234 HydrophobicContact CZ-CE2 3.77Å; A230-Y234 WeakPolarHBondContact O-CD2 3.37Å; A230-Y234 PolarHBondContact O-N 3.42Å; L231-Y234 PolarHBondContact O-N 3.01Å; Q232-Y234 PolarHBondContact O-N 3.13Å; Y234-K238 CarbonylContact O-C 3.5Å; Y234-K238 VanDerWaalsContact O-CA 3.3Å; Y234-K238 WeakPolarHBondContact O-CA 3.48Å; Y234-K238 PolarHBondContact O-N 3.13Å; Y234-K238 VanDerWaalsContact O-O 3.08Å; Y234-L241 HydrophobicContact CD1-CB 4.38Å; Y234-L241 HydrophobicContact CE1-CB 4.4Å; Y234-L245 HydrophobicContact CD1-CD2 4.05Å; Y234-L245 HydrophobicContact CD2-CD2 3.55Å; Y234-L245 HydrophobicContact CE1-CD2 4.28Å; Y234-L245 HydrophobicContact CE2-CD2 3.82Å; Y234-L245 HydrophobicContact CG-CD2 3.67Å
235L87.9Confident87.3Confident13 Ų1350.7 Ų50.77%0.06824%0.24CC..Hα-helixtrans-65.3-41.5176.6-169.562000112L231 Q232 F233 I242 F261 F262 A265 Q267 L270L231-L235 VanDerWaalsContact O-CB 3.31Å; L231-L235 WeakPolarHBondContact O-CB 2.75Å; L231-L235 PolarHBondContact O-N 3.47Å; Q232-L235 WeakPolarHBondContact O-CB 3.14Å; Q232-L235 PolarHBondContact O-N 2.89Å; F233-L235 VanDerWaalsContact C-N 3.33Å; F233-L235 PolarHBondContact O-N 3.19Å; L235-I242 HydrophobicContact CB-CD1 4.05Å; L235-I242 HydrophobicContact CD1-CD1 4.07Å; L235-F261 HydrophobicContact CD2-CE1 3.75Å; L235-F261 HydrophobicContact CD2-CZ 4.03Å; L235-F262 HydrophobicContact CD1-CD1 4.4Å; L235-F262 HydrophobicContact CD1-CE1 3.96Å; L235-F262 HydrophobicContact CD2-CD1 4.3Å; L235-F262 HydrophobicContact CD2-CE1 4.13Å; L235-A265 HydrophobicContact CD2-CB 3.96Å; L235-Q267 HydrophobicContact CD1-CB 4.34Å; L235-L270 HydrophobicContact CD1-CD2 4.21Å
236D87.2Confident87.3Confident103 Ų10346.1 Ų46.155%0.55122%0.218SC*.Hα-helixtrans-73.8-40.5-177.2-67.9-20.2000112.2Q232 F233Q232-D236 WeakPolarHBondContact O-CB 3.28Å; Q232-D236 VanDerWaalsContact O-CG 3.26Å; Q232-D236 PolarHBondContact O-N 3.06Å; F233-D236 PolarHBondContact O-N 3Å
237Y84Confident87.3Confident161 Ų16149.8 Ų49.863%0.63124%0.238SC*.Hα-helixtrans-107.6-30.3-171.2-65.2-79.5000114.8F233F233-Y237 AromaticContact CD2-CD2 3.37Å; F233-Y237 HydrophobicContact CD2-CD2 3.37Å; F233-Y237 AromaticContact CD2-CE2 3.67Å; F233-Y237 HydrophobicContact CD2-CE2 3.67Å; F233-Y237 HydrophobicContact CD2-CG 4.42Å; F233-Y237 AromaticContact CE2-CD2 3.37Å; F233-Y237 HydrophobicContact CE2-CD2 3.37Å; F233-Y237 AromaticContact CE2-CE2 3.76Å; F233-Y237 HydrophobicContact CE2-CE2 3.76Å; F233-Y237 HydrophobicContact CE2-CG 4.06Å; F233-Y237 HydrophobicContact CG-CD2 4.24Å; F233-Y237 HydrophobicContact CZ-CD2 4.25Å; F233-Y237 WeakPolarHBondContact O-CD2 3.44Å; F233-Y237 PolarHBondContact O-N 3.25Å
238K85.1Confident87.4Confident76 Ų7652.7 Ų52.733%0.3326%0.255SS..  trans-143.869.7-174.6-63-168.4-177.9-173.50113.6W209 Y234 L240 L241W209-K238 HydrophobicContact CH2-CD 3.7Å; W209-K238 HydrophobicContact CZ2-CD 3.84Å; W209-K238 HydrophobicContact CZ3-CD 4.23Å; Y234-K238 CarbonylContact O-C 3.5Å; Y234-K238 VanDerWaalsContact O-CA 3.3Å; Y234-K238 WeakPolarHBondContact O-CA 3.48Å; Y234-K238 PolarHBondContact O-N 3.13Å; Y234-K238 VanDerWaalsContact O-O 3.08Å; K238-L240 VanDerWaalsContact C-N 3.32Å; K238-L240 PolarHBondContact O-N 3.38Å; K238-L241 HydrophobicContact CB-CD1 4.43Å; K238-L241 HydrophobicContact CD-CD1 4.03Å; K238-L241 PolarHBondContact O-N 3.38Å
239P83.9Confident87.3Confident48 Ų4851.2 Ų51.231%0.31225%0.249SC..G310 helixtrans-57.6-38.4-175.5-24.431.9000114.3L241 I242 L270P239-L241 VanDerWaalsContact C-N 3.27Å; P239-L241 PolarHBondContact O-N 3.14Å; P239-I242 WeakPolarHBondContact O-CB 3.11Å; P239-I242 WeakPolarHBondContact O-CG2 3.16Å; P239-I242 PolarHBondContact O-N 3.02Å; P239-L270 HydrophobicContact CB-CD2 3.77Å; P239-L270 WeakPolarHBondContact O-CD2 3.49Å
240L86.4Confident87.1Confident150 Ų15046.2 Ų46.279%0.78523%0.233SC*.G310 helixtrans-64.9-28.8-174-62.6174.8000113.8K238K238-L240 VanDerWaalsContact C-N 3.32Å; K238-L240 PolarHBondContact O-N 3.38Å
241L86.8Confident86.9Confident44 Ų4451.8 Ų51.823%0.2327%0.269CS..G310 helixtrans-90.2-2.4-175.7-61.5176000113.1W209 E211 Y234 K238 P239 N243 D244 L245W209-L241 HydrophobicContact CH2-CD1 3.92Å; W209-L241 HydrophobicContact CZ2-CD1 4.38Å; E211-L241 HydrophobicContact CG-CD1 4.35Å; Y234-L241 HydrophobicContact CD1-CB 4.38Å; Y234-L241 HydrophobicContact CE1-CB 4.4Å; K238-L241 HydrophobicContact CB-CD1 4.43Å; K238-L241 HydrophobicContact CD-CD1 4.03Å; K238-L241 PolarHBondContact O-N 3.38Å; P239-L241 VanDerWaalsContact C-N 3.27Å; P239-L241 PolarHBondContact O-N 3.14Å; L241-N243 VanDerWaalsContact C-N 3.31Å; L241-N243 PolarHBondContact O-N 3.15Å; L241-D244 PolarHBondContact O-N 3.44Å; L241-L245 PolarHBondContact O-N 2.9Å
242I88.5Confident86.6Confident0 Ų055.7 Ų55.70%028%0.284CS..Hα-helixtrans-67.3-32.6-173.5-157.8163.5000112.6L231 L235 P239 D244 L245 L246 F262 L270 V271L231-I242 HydrophobicContact CD2-CG1 4.29Å; L235-I242 HydrophobicContact CB-CD1 4.05Å; L235-I242 HydrophobicContact CD1-CD1 4.07Å; P239-I242 WeakPolarHBondContact O-CB 3.11Å; P239-I242 WeakPolarHBondContact O-CG2 3.16Å; P239-I242 PolarHBondContact O-N 3.02Å; I242-D244 PolarHBondContact O-N 2.85Å; I242-L245 PolarHBondContact O-N 3.2Å; I242-L246 HydrophobicContact CG1-CD1 4.21Å; I242-L246 HydrophobicContact CG1-CG 4.39Å; I242-L246 WeakPolarHBondContact O-CB 3.25Å; I242-L246 VanDerWaalsContact O-CG 3.28Å; I242-L246 WeakPolarHBondContact O-CG 3.42Å; I242-L246 PolarHBondContact O-N 3.09Å; I242-F262 HydrophobicContact CD1-CE1 3.66Å; I242-F262 HydrophobicContact CD1-CZ 3.6Å; I242-F262 HydrophobicContact CG1-CZ 4.34Å; I242-L270 HydrophobicContact CG2-CD2 3.75Å; I242-L270 HydrophobicContact CG2-CG 3.95Å; I242-V271 HydrophobicContact CG2-CG1 4.36Å
243N86.9Confident86.4Confident22 Ų2251.3 Ų51.312%0.11826%0.264CS..Hα-helixtrans-62.3-44.5-179.9-77-61.7000111.5L241 L245 L246 L247 L270 V271L241-N243 VanDerWaalsContact C-N 3.31Å; L241-N243 PolarHBondContact O-N 3.15Å; N243-L245 VanDerWaalsContact C-N 3.31Å; N243-L245 PolarHBondContact O-N 3.44Å; N243-L246 PolarHBondContact O-N 3.15Å; N243-L247 WeakPolarHBondContact O-CG 3.45Å; N243-L247 PolarHBondContact O-N 3.35Å; N243-L270 PolarHBondContact ND2-O 3.4Å; N243-L270 PolarHBondContact OD1-O 2.97Å; N243-V271 WeakPolarHBondContact OD1-CA 3.3Å
244D86.5Confident86.3Confident69 Ų6955.2 Ų55.237%0.36929%0.285SS..Hα-helixtrans-64.6-38.9178.4-63.2-8.9000111.9K215 L241 I242 L247 V248K215-D244 IonicContact NZ-OD2 2.66Å; K215-D244 PolarHBondContact NZ-OD2 3.06Å; K215-D244 VanDerWaalsContact NZ-OD2 3.12Å; L241-D244 PolarHBondContact O-N 3.44Å; I242-D244 PolarHBondContact O-N 2.85Å; D244-L247 PolarHBondContact O-N 3.35Å; D244-V248 WeakPolarHBondContact O-CG2 3.41Å; D244-V248 PolarHBondContact O-N 2.72Å
245L86.9Confident86.3Confident0 Ų056.2 Ų56.20%029%0.29CS..Hα-helixtrans-64-44.7176-179.866000111F214 I218 L231 Y234 L241 I242 N243 L247 V248 L249F214-L245 HydrophobicContact CD1-CD1 4.27Å; F214-L245 HydrophobicContact CE1-CD1 4.2Å; I218-L245 HydrophobicContact CG2-CD1 3.96Å; L231-L245 HydrophobicContact CD2-CD2 4.12Å; Y234-L245 HydrophobicContact CD1-CD2 4.05Å; Y234-L245 HydrophobicContact CD2-CD2 3.55Å; Y234-L245 HydrophobicContact CE1-CD2 4.28Å; Y234-L245 HydrophobicContact CE2-CD2 3.82Å; Y234-L245 HydrophobicContact CG-CD2 3.67Å; L241-L245 PolarHBondContact O-N 2.9Å; I242-L245 PolarHBondContact O-N 3.2Å; N243-L245 VanDerWaalsContact C-N 3.31Å; N243-L245 PolarHBondContact O-N 3.44Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L245-L247 PolarHBondContact O-N 3.31Å; L245-V248 PolarHBondContact O-N 3.25Å; L245-L249 HydrophobicContact CD1-CD1 3.93Å; L245-L249 HydrophobicContact CD1-CG 4.3Å; L245-L249 HydrophobicContact CD2-CD1 4.46Å; L245-L249 HydrophobicContact CG-CD1 3.85Å; L245-L249 HydrophobicContact CG-CG 4.5Å; L245-L249 WeakPolarHBondContact O-CB 3.45Å; L245-L249 WeakPolarHBondContact O-CG 3.45Å; L245-L249 PolarHBondContact O-N 3.5Å
246L87.6Confident86.3Confident0 Ų059.2 Ų59.20%031%0.309CS..Hα-helixtrans-63.4-36178.3-75168.8000112.5L231 I242 N243 L249 S250 L253 T258 F262 V271 Y274L231-L246 HydrophobicContact CD1-CD2 4.05Å; L231-L246 HydrophobicContact CD2-CD2 3.48Å; L231-L246 VanDerWaalsContact CD2-CD2 3.48Å; L231-L246 HydrophobicContact CD2-CG 3.96Å; L231-L246 HydrophobicContact CG-CD2 4.44Å; I242-L246 HydrophobicContact CG1-CD1 4.21Å; I242-L246 HydrophobicContact CG1-CG 4.39Å; I242-L246 WeakPolarHBondContact O-CB 3.25Å; I242-L246 VanDerWaalsContact O-CG 3.28Å; I242-L246 WeakPolarHBondContact O-CG 3.42Å; I242-L246 PolarHBondContact O-N 3.09Å; N243-L246 PolarHBondContact O-N 3.15Å; L246-L249 PolarHBondContact O-N 3.18Å; L246-S250 PolarHBondContact O-N 3.4Å; L246-S250 PolarHBondContact O-OG 3.42Å; L246-L253 HydrophobicContact CD2-CD1 3.84Å; L246-T258 HydrophobicContact CD2-CG2 3.98Å; L246-F262 HydrophobicContact CD1-CE2 4.02Å; L246-F262 HydrophobicContact CD1-CZ 4.1Å; L246-F262 HydrophobicContact CD2-CE2 4.32Å; L246-V271 HydrophobicContact CD1-CB 4.24Å; L246-V271 HydrophobicContact CD1-CG1 3.57Å; L246-Y274 HydrophobicContact CB-CD1 4.43Å; L246-Y274 HydrophobicContact CB-CD2 3.48Å; L246-Y274 VanDerWaalsContact CB-CD2 3.48Å; L246-Y274 HydrophobicContact CB-CE2 3.81Å; L246-Y274 HydrophobicContact CB-CG 3.78Å; L246-Y274 HydrophobicContact CD1-CD1 3.97Å; L246-Y274 HydrophobicContact CD1-CD2 4.47Å; L246-Y274 HydrophobicContact CD1-CE1 4.47Å; L246-Y274 HydrophobicContact CD1-CG 3.94Å; L246-Y274 HydrophobicContact CD2-CE1 4.33Å; L246-Y274 HydrophobicContact CD2-CE2 4.34Å; L246-Y274 HydrophobicContact CG-CD2 4.42Å; L246-Y274 HydrophobicContact CG-CG 4.38Å
247L87.8Confident86.4Confident87 Ų8758.6 Ų58.646%0.45530%0.299SS..Hα-helixtrans-61.7-46.5174.2-73.3172.4000111.6N243 D244 L245 L249 S250 S277N243-L247 WeakPolarHBondContact O-CG 3.45Å; N243-L247 PolarHBondContact O-N 3.35Å; D244-L247 PolarHBondContact O-N 3.35Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L245-L247 PolarHBondContact O-N 3.31Å; L247-L249 VanDerWaalsContact C-N 3.3Å; L247-L249 PolarHBondContact O-N 3.1Å; L247-S250 WeakPolarHBondContact O-CB 3.39Å; L247-S250 PolarHBondContact O-N 2.9Å; L247-S250 PolarHBondContact O-OG 3.01Å; L247-S277 WeakPolarHBondContact CD2-OG 3.44Å
248V88Confident86.5Confident62 Ų6251 Ų5138%0.37627%0.269SS..Hα-helixtrans-64.9-36.6178.2172.40000111.6T219 D244 L245T219-V248 HydrophobicContact CG2-CG1 3.12Å; D244-V248 WeakPolarHBondContact O-CG2 3.41Å; D244-V248 PolarHBondContact O-N 2.72Å; L245-V248 PolarHBondContact O-N 3.25Å
249L86.6Confident86.6Confident1 Ų147.9 Ų47.91%0.00526%0.257CS..Hα-helixtrans-85.9-3-178.8-67.1177.8000114.6I218 C227 L245 L246 L247 P251 R252 L253I218-L249 HydrophobicContact CB-CD2 4.48Å; I218-L249 HydrophobicContact CG1-CD1 4.4Å; I218-L249 HydrophobicContact CG1-CD2 3.91Å; I218-L249 HydrophobicContact CG2-CD2 3.89Å; I218-L249 HydrophobicContact CG2-CG 4.45Å; C227-L249 HydrophobicContact CB-CD1 4.36Å; L245-L249 HydrophobicContact CD1-CD1 3.93Å; L245-L249 HydrophobicContact CD1-CG 4.3Å; L245-L249 HydrophobicContact CD2-CD1 4.46Å; L245-L249 HydrophobicContact CG-CD1 3.85Å; L245-L249 HydrophobicContact CG-CG 4.5Å; L245-L249 WeakPolarHBondContact O-CB 3.45Å; L245-L249 WeakPolarHBondContact O-CG 3.45Å; L245-L249 PolarHBondContact O-N 3.5Å; L246-L249 PolarHBondContact O-N 3.18Å; L247-L249 VanDerWaalsContact C-N 3.3Å; L247-L249 PolarHBondContact O-N 3.1Å; L249-P251 VanDerWaalsContact C-CD 3.48Å; L249-R252 PolarHBondContact O-N 2.89Å; L249-L253 HydrophobicContact CB-CD1 3.4Å; L249-L253 VanDerWaalsContact CB-CD1 3.4Å; L249-L253 HydrophobicContact CB-CG 3.85Å; L249-L253 HydrophobicContact CD1-CD1 4.36Å; L249-L253 WeakPolarHBondContact O-CG 3.34Å; L249-L253 PolarHBondContact O-N 3.44Å
250S83.9Confident86.8Confident18 Ų1847.8 Ų47.813%0.12626%0.257CS..G310 helixtrans-52.1-44.1-171.9-71.30000114.7L246 L247 R252 H255L246-S250 PolarHBondContact O-N 3.4Å; L246-S250 PolarHBondContact O-OG 3.42Å; L247-S250 WeakPolarHBondContact O-CB 3.39Å; L247-S250 PolarHBondContact O-N 2.9Å; L247-S250 PolarHBondContact O-OG 3.01Å; S250-R252 PolarHBondContact O-N 3.04Å; S250-R252 VanDerWaalsContact O-N 3.13Å; S250-H255 PolarHBondContact O-CE1 3.41Å; S250-H255 VanDerWaalsContact O-CE1 3.25Å
251P85.5Confident86.9Confident117 Ų11742.6 Ų42.676%0.7623%0.228SC*.G310 helixtrans-67.3-14.8-177.8-21.434.1000115L249L249-P251 VanDerWaalsContact C-CD 3.48Å
252R82.6Confident87Confident83 Ų8340.5 Ų40.531%0.31322%0.217SC..G310 helixtrans-117.1-11.4-169.1-60.9-172.364.6-162.2-9.2113.9T219 V221 A222 L249 S250T219-R252 PolarHBondContact O-NH1 3.44Å; V221-R252 PolarHBondContact O-NH1 3.44Å; V221-R252 PolarHBondContact O-NH2 3.27Å; A222-R252 PolarHBondContact O-NH2 2.91Å; L249-R252 PolarHBondContact O-N 2.89Å; S250-R252 PolarHBondContact O-N 3.04Å; S250-R252 VanDerWaalsContact O-N 3.13Å
253L84.4Confident87Confident9 Ų944.2 Ų44.25%0.04724%0.243CC..SBendtrans-88.8139.4-176.9-77.6169.2000111.4C227 Y228 L231 L246 L249 H255C227-L253 HydrophobicContact CB-CD2 4.25Å; Y228-L253 HydrophobicContact CD1-CD2 4.06Å; Y228-L253 HydrophobicContact CE1-CD2 3.66Å; L231-L253 HydrophobicContact CD1-CD1 4.44Å; L231-L253 HydrophobicContact CD1-CD2 4.06Å; L246-L253 HydrophobicContact CD2-CD1 3.84Å; L249-L253 HydrophobicContact CB-CD1 3.4Å; L249-L253 VanDerWaalsContact CB-CD1 3.4Å; L249-L253 HydrophobicContact CB-CG 3.85Å; L249-L253 HydrophobicContact CD1-CD1 4.36Å; L249-L253 WeakPolarHBondContact O-CG 3.34Å; L249-L253 PolarHBondContact O-N 3.44Å; L253-H255 PolarHBondContact O-N 3.15Å; L253-H255 VanDerWaalsContact O-N 3.14Å
254D87.2Confident87.1Confident96 Ų9651.9 Ų51.951%0.51328%0.275SS..  trans-76.2100.9166-62.1-44.6000109.5Y228 T256 W257 T258Y228-D254 WeakPolarHBondContact OH-CB 3.4Å; Y228-D254 PolarHBondContact OH-N 3.29Å; Y228-D254 PolarHBondContact OH-OD2 3.47Å; D254-T256 PolarHBondContact O-N 3Å; D254-T256 VanDerWaalsContact O-N 3.15Å; D254-W257 HydrophobicContact CB-CB 4.15Å; D254-W257 PolarHBondContact O-N 3.35Å; D254-T258 PolarHBondContact O-N 3.01Å; D254-T258 PolarHBondContact O-OG1 3.36Å; D254-T258 VanDerWaalsContact O-OG1 3.14Å
255H87.7Confident87.1Confident22 Ų2250.9 Ų50.910%0.10228%0.277CS..Hα-helixtrans-58.6-31.5-175.4-51-56.7000113.5S250 L253 T258 V259 Y274 V278 V286S250-H255 PolarHBondContact O-CE1 3.41Å; S250-H255 VanDerWaalsContact O-CE1 3.25Å; L253-H255 PolarHBondContact O-N 3.15Å; L253-H255 VanDerWaalsContact O-N 3.14Å; H255-T258 PolarHBondContact O-N 3.33Å; H255-V259 VanDerWaalsContact O-CG2 3.31Å; H255-V259 WeakPolarHBondContact O-CG2 3.35Å; H255-V259 PolarHBondContact O-N 3.35Å; H255-Y274 PolarHBondContact ND1-OH 3.07Å; H255-V278 HydrophobicContact CB-CG1 4.16Å; H255-V278 WeakPolarHBondContact ND1-CG1 3.49Å; H255-V286 HydrophobicContact CB-CG2 4.01Å
256T88.3Confident86.9Confident75 Ų7553.8 Ų53.846%0.4631%0.307SS..Hα-helixtrans-62-46.1175.450.50000112D254 S260 N283 S285D254-T256 PolarHBondContact O-N 3Å; D254-T256 VanDerWaalsContact O-N 3.15Å; T256-S260 PolarHBondContact O-N 3.14Å; T256-S260 VanDerWaalsContact O-N 3.15Å; T256-N283 WeakPolarHBondContact CG2-ND2 3.23Å; T256-N283 WeakPolarHBondContact CG2-OD1 3.46Å; T256-S285 WeakPolarHBondContact CA-OG 3.31Å
257W89.3Confident86.7Confident91 Ų9157.5 Ų57.535%0.34532%0.324SS..Hα-helixtrans-65.1-47.4177.8-175.894.7000110.2Y228 D254 V259 S260 F261Y228-W257 AromaticContact CD1-CD2 3.97Å; Y228-W257 HydrophobicContact CD1-CD2 3.97Å; Y228-W257 AromaticContact CD1-CE3 3.24Å; Y228-W257 HydrophobicContact CD1-CE3 3.24Å; Y228-W257 AromaticContact CD1-CH2 3.66Å; Y228-W257 HydrophobicContact CD1-CH2 3.66Å; Y228-W257 HydrophobicContact CD1-CZ2 4.29Å; Y228-W257 AromaticContact CD1-CZ3 3.08Å; Y228-W257 HydrophobicContact CD1-CZ3 3.08Å; Y228-W257 AromaticContact CE1-CD2 3.85Å; Y228-W257 HydrophobicContact CE1-CD2 3.85Å; Y228-W257 AromaticContact CE1-CE3 3.27Å; Y228-W257 HydrophobicContact CE1-CE3 3.27Å; Y228-W257 HydrophobicContact CE1-CG 4.49Å; Y228-W257 HydrophobicContact CE1-CH2 4.49Å; Y228-W257 AromaticContact CE1-CZ3 3.68Å; Y228-W257 HydrophobicContact CE1-CZ3 3.68Å; Y228-W257 HydrophobicContact CE2-CD2 4.49Å; Y228-W257 HydrophobicContact CG-CD2 4.35Å; Y228-W257 AromaticContact CG-CE3 3.96Å; Y228-W257 HydrophobicContact CG-CE3 3.96Å; Y228-W257 AromaticContact CG-CH2 3.69Å; Y228-W257 HydrophobicContact CG-CH2 3.69Å; Y228-W257 HydrophobicContact CG-CZ2 4.05Å; Y228-W257 AromaticContact CG-CZ3 3.64Å; Y228-W257 HydrophobicContact CG-CZ3 3.64Å; D254-W257 HydrophobicContact CB-CB 4.15Å; D254-W257 PolarHBondContact O-N 3.35Å; W257-V259 VanDerWaalsContact C-N 3.34Å; W257-V259 PolarHBondContact O-N 2.82Å; W257-S260 PolarHBondContact O-N 2.99Å; W257-S260 VanDerWaalsContact O-N 3.09Å; W257-S260 PolarHBondContact O-OG 3.16Å; W257-F261 HydrophobicContact CE3-CB 4.17Å; W257-F261 HydrophobicContact CH2-CB 3.95Å; W257-F261 AromaticContact CH2-CD2 3.7Å; W257-F261 HydrophobicContact CH2-CD2 3.7Å; W257-F261 HydrophobicContact CH2-CE2 4.36Å; W257-F261 AromaticContact CH2-CG 3.8Å; W257-F261 HydrophobicContact CH2-CG 3.8Å; W257-F261 HydrophobicContact CZ2-CB 4.41Å; W257-F261 HydrophobicContact CZ2-CD2 4.19Å; W257-F261 HydrophobicContact CZ3-CB 3.81Å; W257-F261 HydrophobicContact CZ3-CD1 4.42Å; W257-F261 HydrophobicContact CZ3-CD2 4.32Å; W257-F261 AromaticContact CZ3-CG 3.94Å; W257-F261 HydrophobicContact CZ3-CG 3.94Å; W257-F261 PolarHBondContact O-N 3.39Å
258T86.8Confident86.6Confident1 Ų154.2 Ų54.21%0.00631%0.307CS..Hα-helixtrans-56.7-46.1-179.3-53.70000111.9L246 D254 H255 F261 F262 Y274L246-T258 HydrophobicContact CD2-CG2 3.98Å; D254-T258 PolarHBondContact O-N 3.01Å; D254-T258 PolarHBondContact O-OG1 3.36Å; D254-T258 VanDerWaalsContact O-OG1 3.14Å; H255-T258 PolarHBondContact O-N 3.33Å; T258-F261 WeakPolarHBondContact O-CB 3.5Å; T258-F261 PolarHBondContact O-N 3Å; T258-F262 HydrophobicContact CG2-CD2 3.76Å; T258-F262 HydrophobicContact CG2-CE2 3.44Å; T258-F262 VanDerWaalsContact CG2-CE2 3.44Å; T258-F262 WeakPolarHBondContact O-CD2 3.27Å; T258-F262 PolarHBondContact O-N 2.76Å; T258-F262 VanDerWaalsContact O-N 3.1Å; T258-Y274 HydrophobicContact CG2-CE1 4.04Å
259V87.6Confident86.6Confident11 Ų1154.6 Ų54.67%0.06731%0.311CS..Hα-helixtrans-62.8-44.2176.4171.80000111.3H255 W257 F261 F262 S263 L268 L275 V286 A289H255-V259 VanDerWaalsContact O-CG2 3.31Å; H255-V259 WeakPolarHBondContact O-CG2 3.35Å; H255-V259 PolarHBondContact O-N 3.35Å; W257-V259 VanDerWaalsContact C-N 3.34Å; W257-V259 PolarHBondContact O-N 2.82Å; V259-F261 VanDerWaalsContact C-N 3.27Å; V259-F261 PolarHBondContact O-N 2.98Å; V259-F262 PolarHBondContact O-N 3.3Å; V259-S263 VanDerWaalsContact O-CB 3.25Å; V259-S263 WeakPolarHBondContact O-CB 3.33Å; V259-S263 PolarHBondContact O-N 3.39Å; V259-L268 HydrophobicContact CG1-CD1 4.33Å; V259-L275 HydrophobicContact CG2-CD2 3.89Å; V259-V286 HydrophobicContact CG2-CG2 3.83Å; V259-A289 HydrophobicContact CG1-CB 3.54Å
260S88.2Confident86.6Confident46 Ų4656.6 Ų56.632%0.32232%0.321SS..Hα-helixtrans-62.9-34.5178.779.70000112.7T256 W257 K264T256-S260 PolarHBondContact O-N 3.14Å; T256-S260 VanDerWaalsContact O-N 3.15Å; W257-S260 PolarHBondContact O-N 2.99Å; W257-S260 VanDerWaalsContact O-N 3.09Å; W257-S260 PolarHBondContact O-OG 3.16Å; S260-K264 WeakPolarHBondContact O-CB 3.35Å; S260-K264 VanDerWaalsContact O-CG 3.27Å; S260-K264 WeakPolarHBondContact O-CG 3.1Å; S260-K264 PolarHBondContact O-N 3.44Å; S260-K264 VanDerWaalsContact O-N 3.07Å
261F88.5Confident86.8Confident40 Ų4055.9 Ų55.918%0.17532%0.316CS..Hα-helixtrans-66.2-50.8176.6173.5-100000110.9Q232 L235 W257 T258 V259 S263 K264 A265Q232-F261 HydrophobicContact CB-CZ 4.06Å; Q232-F261 HydrophobicContact CG-CZ 4.45Å; L235-F261 HydrophobicContact CD2-CE1 3.75Å; L235-F261 HydrophobicContact CD2-CZ 4.03Å; W257-F261 HydrophobicContact CE3-CB 4.17Å; W257-F261 HydrophobicContact CH2-CB 3.95Å; W257-F261 AromaticContact CH2-CD2 3.7Å; W257-F261 HydrophobicContact CH2-CD2 3.7Å; W257-F261 HydrophobicContact CH2-CE2 4.36Å; W257-F261 AromaticContact CH2-CG 3.8Å; W257-F261 HydrophobicContact CH2-CG 3.8Å; W257-F261 HydrophobicContact CZ2-CB 4.41Å; W257-F261 HydrophobicContact CZ2-CD2 4.19Å; W257-F261 HydrophobicContact CZ3-CB 3.81Å; W257-F261 HydrophobicContact CZ3-CD1 4.42Å; W257-F261 HydrophobicContact CZ3-CD2 4.32Å; W257-F261 AromaticContact CZ3-CG 3.94Å; W257-F261 HydrophobicContact CZ3-CG 3.94Å; W257-F261 PolarHBondContact O-N 3.39Å; T258-F261 WeakPolarHBondContact O-CB 3.5Å; T258-F261 PolarHBondContact O-N 3Å; V259-F261 VanDerWaalsContact C-N 3.27Å; V259-F261 PolarHBondContact O-N 2.98Å; F261-S263 PolarHBondContact O-N 2.99Å; F261-K264 PolarHBondContact O-N 3.06Å; F261-A265 WeakPolarHBondContact O-CB 3.49Å; F261-A265 PolarHBondContact O-N 3.06Å
262F88.8Confident86.9Confident1 Ų152.4 Ų52.40%0.00429%0.289CS..Hα-helixtrans-68.5-33178.7-71.8-63000113.5L235 I242 L246 T258 V259 A265 G266 Q267 L268 V271L235-F262 HydrophobicContact CD1-CD1 4.4Å; L235-F262 HydrophobicContact CD1-CE1 3.96Å; L235-F262 HydrophobicContact CD2-CD1 4.3Å; L235-F262 HydrophobicContact CD2-CE1 4.13Å; I242-F262 HydrophobicContact CD1-CE1 3.66Å; I242-F262 HydrophobicContact CD1-CZ 3.6Å; I242-F262 HydrophobicContact CG1-CZ 4.34Å; L246-F262 HydrophobicContact CD1-CE2 4.02Å; L246-F262 HydrophobicContact CD1-CZ 4.1Å; L246-F262 HydrophobicContact CD2-CE2 4.32Å; T258-F262 HydrophobicContact CG2-CD2 3.76Å; T258-F262 HydrophobicContact CG2-CE2 3.44Å; T258-F262 VanDerWaalsContact CG2-CE2 3.44Å; T258-F262 WeakPolarHBondContact O-CD2 3.27Å; T258-F262 PolarHBondContact O-N 2.76Å; T258-F262 VanDerWaalsContact O-N 3.1Å; V259-F262 PolarHBondContact O-N 3.3Å; F262-A265 PolarHBondContact O-N 2.82Å; F262-G266 PolarHBondContact O-N 2.9Å; F262-Q267 PolarHBondContact O-N 3.3Å; F262-L268 HydrophobicContact CB-CD1 4.16Å; F262-V271 HydrophobicContact CB-CG2 4.35Å; F262-V271 HydrophobicContact CD1-CG1 4.09Å; F262-V271 HydrophobicContact CD2-CG1 3.93Å; F262-V271 HydrophobicContact CD2-CG2 4.08Å; F262-V271 HydrophobicContact CE1-CG1 3.92Å; F262-V271 HydrophobicContact CE2-CG1 3.73Å; F262-V271 HydrophobicContact CG-CG1 4.12Å; F262-V271 HydrophobicContact CG-CG2 4.16Å; F262-V271 HydrophobicContact CZ-CG1 3.74Å
263S87.9Confident87.2Confident78 Ų7852.1 Ų52.155%0.54530%0.298SS..Hα-helixtrans-62.6-46.4173.3178.40000111.3V259 F261 A265 G266V259-S263 VanDerWaalsContact O-CB 3.25Å; V259-S263 WeakPolarHBondContact O-CB 3.33Å; V259-S263 PolarHBondContact O-N 3.39Å; F261-S263 PolarHBondContact O-N 2.99Å; S263-A265 VanDerWaalsContact C-N 3.3Å; S263-A265 PolarHBondContact O-N 3.47Å; S263-G266 PolarHBondContact O-N 3.16Å; S263-G266 VanDerWaalsContact O-N 3.14Å
264K89.1Confident87.4Confident182 Ų18251.8 Ų51.879%0.79130%0.296SS*.Hα-helixtrans-64-34.4174.7-73.6172.8-176.91750112.9S260 F261 G266S260-K264 WeakPolarHBondContact O-CB 3.35Å; S260-K264 VanDerWaalsContact O-CG 3.27Å; S260-K264 WeakPolarHBondContact O-CG 3.1Å; S260-K264 PolarHBondContact O-N 3.44Å; S260-K264 VanDerWaalsContact O-N 3.07Å; F261-K264 PolarHBondContact O-N 3.06Å; K264-G266 VanDerWaalsContact C-N 3.27Å; K264-G266 PolarHBondContact O-N 3.27Å
265A86.3Confident87.4Confident48 Ų4847.3 Ų47.340%0.39727%0.272SS..Hα-helixtrans-76.6-11.4176.700000113.5L235 F261 F262 S263 Q267L235-A265 HydrophobicContact CD2-CB 3.96Å; F261-A265 WeakPolarHBondContact O-CB 3.49Å; F261-A265 PolarHBondContact O-N 3.06Å; F262-A265 PolarHBondContact O-N 2.82Å; S263-A265 VanDerWaalsContact C-N 3.3Å; S263-A265 PolarHBondContact O-N 3.47Å; A265-Q267 PolarHBondContact O-N 2.96Å
266G83Confident87.4Confident61 Ų6152.1 Ų52.163%0.62929%0.289SS*.THydrogen-bonded Turntrans67.612.7-17700000114.6F262 S263 K264F262-G266 PolarHBondContact O-N 2.9Å; S263-G266 PolarHBondContact O-N 3.16Å; S263-G266 VanDerWaalsContact O-N 3.14Å; K264-G266 VanDerWaalsContact C-N 3.27Å; K264-G266 PolarHBondContact O-N 3.27Å
267Q84.4Confident87.3Confident78 Ų7851.2 Ų51.236%0.36429%0.286SS..  trans-108.628.2-178.6-63.7-160.43.800112.9L235 F262 A265 P269 L270L235-Q267 HydrophobicContact CD1-CB 4.34Å; F262-Q267 PolarHBondContact O-N 3.3Å; A265-Q267 PolarHBondContact O-N 2.96Å; Q267-P269 VanDerWaalsContact C-N 3.34Å; Q267-L270 WeakPolarHBondContact O-CB 3.36Å; Q267-L270 PolarHBondContact O-N 3.37Å
268L84.9Confident87.2Confident18 Ų1847 Ų479%0.09427%0.27CS..G310 helixtrans-55.4-37.8178.1-16090.4000114.1V259 F262 L270 V271 A289 L293V259-L268 HydrophobicContact CG1-CD1 4.33Å; F262-L268 HydrophobicContact CB-CD1 4.16Å; L268-L270 PolarHBondContact O-N 3.19Å; L268-V271 WeakPolarHBondContact O-CG2 3.49Å; L268-V271 PolarHBondContact O-N 3.42Å; L268-A289 HydrophobicContact CD1-CB 4.11Å; L268-A289 HydrophobicContact CD2-CB 3.82Å; L268-A289 HydrophobicContact CG-CB 4.49Å; L268-L293 HydrophobicContact CB-CD2 4.25Å; L268-L293 HydrophobicContact CD2-CD1 3.69Å; L268-L293 HydrophobicContact CD2-CD2 3.72Å; L268-L293 HydrophobicContact CD2-CG 3.49Å; L268-L293 VanDerWaalsContact CD2-CG 3.49Å; L268-L293 HydrophobicContact CG-CD1 3.97Å; L268-L293 HydrophobicContact CG-CD2 4.25Å; L268-L293 HydrophobicContact CG-CG 4.24Å
269P87.2Confident87.1Confident70 Ų7047.8 Ų47.846%0.45527%0.274SS..G310 helixtrans-60.8-29.7179.7-25.434.7000114.1Q267 V271 K272 L293Q267-P269 VanDerWaalsContact C-N 3.34Å; P269-V271 PolarHBondContact O-N 3.48Å; P269-K272 WeakPolarHBondContact O-CB 3.19Å; P269-K272 PolarHBondContact O-N 3.22Å; P269-L293 HydrophobicContact CB-CD2 4.12Å; P269-L293 HydrophobicContact CG-CD2 3.7Å
270L88Confident87Confident44 Ų4450.8 Ų50.823%0.2330%0.295CS..G310 helixtrans-62.3-34.3-178.9-178.165.2000112.1L235 P239 I242 N243 Q267 L268 K272L235-L270 HydrophobicContact CD1-CD2 4.21Å; P239-L270 HydrophobicContact CB-CD2 3.77Å; P239-L270 WeakPolarHBondContact O-CD2 3.49Å; I242-L270 HydrophobicContact CG2-CD2 3.75Å; I242-L270 HydrophobicContact CG2-CG 3.95Å; N243-L270 PolarHBondContact ND2-O 3.4Å; N243-L270 PolarHBondContact OD1-O 2.97Å; Q267-L270 WeakPolarHBondContact O-CB 3.36Å; Q267-L270 PolarHBondContact O-N 3.37Å; L268-L270 PolarHBondContact O-N 3.19Å; L270-K272 VanDerWaalsContact C-N 3.34Å
271V87.6Confident86.7Confident2 Ų254.1 Ų54.11%0.01231%0.305CS..G310 helixtrans-92.511.7-175.3-63.20000113.6I242 N243 L246 F262 L268 P269 Y274 L275I242-V271 HydrophobicContact CG2-CG1 4.36Å; N243-V271 WeakPolarHBondContact OD1-CA 3.3Å; L246-V271 HydrophobicContact CD1-CB 4.24Å; L246-V271 HydrophobicContact CD1-CG1 3.57Å; F262-V271 HydrophobicContact CB-CG2 4.35Å; F262-V271 HydrophobicContact CD1-CG1 4.09Å; F262-V271 HydrophobicContact CD2-CG1 3.93Å; F262-V271 HydrophobicContact CD2-CG2 4.08Å; F262-V271 HydrophobicContact CE1-CG1 3.92Å; F262-V271 HydrophobicContact CE2-CG1 3.73Å; F262-V271 HydrophobicContact CG-CG1 4.12Å; F262-V271 HydrophobicContact CG-CG2 4.16Å; F262-V271 HydrophobicContact CZ-CG1 3.74Å; L268-V271 WeakPolarHBondContact O-CG2 3.49Å; L268-V271 PolarHBondContact O-N 3.42Å; P269-V271 PolarHBondContact O-N 3.48Å; V271-Y274 HydrophobicContact CB-CD1 4.39Å; V271-Y274 WeakPolarHBondContact O-CB 3.49Å; V271-Y274 PolarHBondContact O-N 3.5Å; V271-Y274 VanDerWaalsContact O-N 3.07Å; V271-L275 HydrophobicContact CG2-CD1 4.33Å; V271-L275 HydrophobicContact CG2-CG 4.34Å; V271-L275 WeakPolarHBondContact O-CG 3.31Å; V271-L275 PolarHBondContact O-N 2.99Å
272K87.1Confident86.7Confident44 Ų4454.3 Ų54.319%0.19131%0.309CS..Hα-helixtrans-52.3-45.8178.7175.6-177.9-179.3179.50114.1P269 L270 Y274 L275 R276 E297P269-K272 WeakPolarHBondContact O-CB 3.19Å; P269-K272 PolarHBondContact O-N 3.22Å; L270-K272 VanDerWaalsContact C-N 3.34Å; K272-Y274 VanDerWaalsContact C-N 3.28Å; K272-Y274 PolarHBondContact O-N 2.9Å; K272-L275 PolarHBondContact O-N 3.5Å; K272-R276 PolarHBondContact O-N 3.3Å; K272-R276 VanDerWaalsContact O-N 3.08Å; K272-E297 WeakPolarHBondContact CD-OE1 3.38Å; K272-E297 VanDerWaalsContact CE-OE2 3.29Å; K272-E297 WeakPolarHBondContact CE-OE2 3.36Å; K272-E297 IonicContact NZ-OE1 3.46Å; K272-E297 PolarHBondContact NZ-OE1 3.43Å; K272-E297 IonicContact NZ-OE2 2.71Å; K272-E297 PolarHBondContact NZ-OE2 3.33Å
273P89.3Confident86.7Confident78 Ų7855.9 Ų55.951%0.50632%0.317SS..Hα-helixtrans-58.9-40.8176.8-23.934.8000112.5R276 S277P273-R276 PolarHBondContact O-N 3.08Å; P273-S277 PolarHBondContact O-N 3.44Å
274Y88.8Confident86.7Confident2 Ų256.6 Ų56.61%0.00831%0.31CS..Hα-helixtrans-65.2-44.7176.1164.5-105000112.3L246 H255 T258 V271 K272 R276 S277 V278L246-Y274 HydrophobicContact CB-CD1 4.43Å; L246-Y274 HydrophobicContact CB-CD2 3.48Å; L246-Y274 VanDerWaalsContact CB-CD2 3.48Å; L246-Y274 HydrophobicContact CB-CE2 3.81Å; L246-Y274 HydrophobicContact CB-CG 3.78Å; L246-Y274 HydrophobicContact CD1-CD1 3.97Å; L246-Y274 HydrophobicContact CD1-CD2 4.47Å; L246-Y274 HydrophobicContact CD1-CE1 4.47Å; L246-Y274 HydrophobicContact CD1-CG 3.94Å; L246-Y274 HydrophobicContact CD2-CE1 4.33Å; L246-Y274 HydrophobicContact CD2-CE2 4.34Å; L246-Y274 HydrophobicContact CG-CD2 4.42Å; L246-Y274 HydrophobicContact CG-CG 4.38Å; H255-Y274 PolarHBondContact ND1-OH 3.07Å; T258-Y274 HydrophobicContact CG2-CE1 4.04Å; V271-Y274 HydrophobicContact CB-CD1 4.39Å; V271-Y274 WeakPolarHBondContact O-CB 3.49Å; V271-Y274 PolarHBondContact O-N 3.5Å; V271-Y274 VanDerWaalsContact O-N 3.07Å; K272-Y274 VanDerWaalsContact C-N 3.28Å; K272-Y274 PolarHBondContact O-N 2.9Å; Y274-R276 VanDerWaalsContact C-N 3.28Å; Y274-R276 PolarHBondContact O-N 3.36Å; Y274-S277 WeakPolarHBondContact CA-OG 3.5Å; Y274-S277 PolarHBondContact O-N 2.69Å; Y274-S277 VanDerWaalsContact O-N 3.1Å; Y274-S277 PolarHBondContact O-OG 2.66Å; Y274-V278 HydrophobicContact CD2-CG2 3.73Å; Y274-V278 HydrophobicContact CE1-CG2 4.33Å; Y274-V278 HydrophobicContact CE2-CG2 3.32Å; Y274-V278 HydrophobicContact CG-CG2 4.43Å; Y274-V278 WeakPolarHBondContact O-CG2 3.27Å; Y274-V278 PolarHBondContact O-N 3.19Å
275L87.4Confident86.7Confident1 Ų149.1 Ų49.11%0.00528%0.281CS..Hα-helixtrans-59.1-40.3177.5-64.6175.6000111.5V259 V271 K272 V278 Q279 V286 L290 L293V259-L275 HydrophobicContact CG2-CD2 3.89Å; V271-L275 HydrophobicContact CG2-CD1 4.33Å; V271-L275 HydrophobicContact CG2-CG 4.34Å; V271-L275 WeakPolarHBondContact O-CG 3.31Å; V271-L275 PolarHBondContact O-N 2.99Å; K272-L275 PolarHBondContact O-N 3.5Å; L275-V278 PolarHBondContact O-N 3.43Å; L275-Q279 WeakPolarHBondContact O-CB 3.48Å; L275-Q279 PolarHBondContact O-N 3.2Å; L275-V286 HydrophobicContact CB-CG1 4.42Å; L275-V286 HydrophobicContact CD2-CG1 4.02Å; L275-V286 HydrophobicContact CD2-CG2 4.48Å; L275-L290 HydrophobicContact CB-CD1 4.14Å; L275-L293 HydrophobicContact CD1-CD1 3.7Å
276R86.6Confident86.8Confident124 Ų12446.9 Ų46.947%0.46826%0.262SS..Hα-helixtrans-63.3-40.1175-73.2-172.2175-172.1-2.4112.8K272 P273 Y274 L290 D299K272-R276 PolarHBondContact O-N 3.3Å; K272-R276 VanDerWaalsContact O-N 3.08Å; P273-R276 PolarHBondContact O-N 3.08Å; Y274-R276 VanDerWaalsContact C-N 3.28Å; Y274-R276 PolarHBondContact O-N 3.36Å; R276-L290 HydrophobicContact CG-CD1 4.48Å; R276-D299 IonicContact NH2-OD2 3.85Å
277S86.6Confident87.1Confident55 Ų5544 Ų4439%0.38523%0.232SC..Hα-helixtrans-69.9-33.917759.40000113.3L247 P273 Y274L247-S277 WeakPolarHBondContact CD2-OG 3.44Å; P273-S277 PolarHBondContact O-N 3.44Å; Y274-S277 WeakPolarHBondContact CA-OG 3.5Å; Y274-S277 PolarHBondContact O-N 2.69Å; Y274-S277 VanDerWaalsContact O-N 3.1Å; Y274-S277 PolarHBondContact O-OG 2.66Å
278V86.5Confident87.2Confident2 Ų243.9 Ų43.91%0.01223%0.232CC..Hα-helixtrans-84.4-15.8-177.1171.40000112.4H255 Y274 L275 S280 H281 V286H255-V278 HydrophobicContact CB-CG1 4.16Å; H255-V278 WeakPolarHBondContact ND1-CG1 3.49Å; Y274-V278 HydrophobicContact CD2-CG2 3.73Å; Y274-V278 HydrophobicContact CE1-CG2 4.33Å; Y274-V278 HydrophobicContact CE2-CG2 3.32Å; Y274-V278 HydrophobicContact CG-CG2 4.43Å; Y274-V278 WeakPolarHBondContact O-CG2 3.27Å; Y274-V278 PolarHBondContact O-N 3.19Å; L275-V278 PolarHBondContact O-N 3.43Å; V278-S280 PolarHBondContact O-N 3.37Å; V278-H281 WeakPolarHBondContact O-CB 3.46Å; V278-H281 PolarHBondContact O-N 3.12Å; V278-H281 PolarHBondContact O-ND1 3.19Å; V278-H281 VanDerWaalsContact O-ND1 3.09Å; V278-V286 HydrophobicContact CG1-CG2 4.23Å
279Q85Confident87.4Confident18 Ų1843.6 Ų43.68%0.08423%0.232CC..G310 helixtrans-53.1-27.7-176.1-156.3177.7300113.7L275 H281 N282 L290 S306 Y310L275-Q279 WeakPolarHBondContact O-CB 3.48Å; L275-Q279 PolarHBondContact O-N 3.2Å; Q279-H281 PolarHBondContact O-N 2.93Å; Q279-N282 PolarHBondContact O-N 3.34Å; Q279-L290 HydrophobicContact CG-CD2 4.28Å; Q279-S306 PolarHBondContact NE2-OG 3Å; Q279-Y310 HydrophobicContact CB-CD2 4.45Å; Q279-Y310 HydrophobicContact CB-CE2 3.99Å; Q279-Y310 HydrophobicContact CG-CD1 4.5Å; Q279-Y310 HydrophobicContact CG-CD2 3.45Å; Q279-Y310 VanDerWaalsContact CG-CD2 3.45Å; Q279-Y310 HydrophobicContact CG-CE2 3.46Å; Q279-Y310 VanDerWaalsContact CG-CE2 3.46Å; Q279-Y310 HydrophobicContact CG-CG 3.96Å; Q279-Y310 WeakPolarHBondContact O-CD1 3.32Å; Q279-Y310 WeakPolarHBondContact O-CE1 3.08Å
280S85.4Confident87.5Confident75 Ų7540.3 Ų40.352%0.52421%0.211SC..G310 helixtrans-54.1-25.3174.363.20000114.7V278 N282V278-S280 PolarHBondContact O-N 3.37Å; S280-N282 PolarHBondContact O-N 3.31Å
281H83.3Confident87.5Confident115 Ų11538.3 Ų38.353%0.53220%0.2SC..G310 helixtrans-78.1-4.3178.6-63.384000113.4V278 Q279 N283V278-H281 WeakPolarHBondContact O-CB 3.46Å; V278-H281 PolarHBondContact O-N 3.12Å; V278-H281 PolarHBondContact O-ND1 3.19Å; V278-H281 VanDerWaalsContact O-ND1 3.09Å; Q279-H281 PolarHBondContact O-N 2.93Å; H281-N283 VanDerWaalsContact C-N 3.29Å; H281-N283 PolarHBondContact O-N 3.47Å
282N87.2Confident87.5Confident45 Ų4542.2 Ų42.224%0.24122%0.218CC..  trans47.348.1-179.7-161.718.3000113.1Q279 S280 N287 Y310 D311 N312Q279-N282 PolarHBondContact O-N 3.34Å; S280-N282 PolarHBondContact O-N 3.31Å; N282-N287 PolarHBondContact OD1-ND2 3.22Å; N282-Y310 HydrophobicContact CB-CD1 4.23Å; N282-D311 PolarHBondContact ND2-OD1 3.22Å; N282-N312 WeakPolarHBondContact O-CB 3.33Å; N282-N312 PolarHBondContact O-ND2 3.23Å; N282-N312 WeakPolarHBondContact OD1-CB 3.39Å; N282-N312 PolarHBondContact OD1-N 3.16Å
283N88.4Confident87.5Confident33 Ų3340.2 Ų40.218%0.17621%0.209CC..  trans-87.8128180-174.4-29.9000110.5T256 H281 S285 V286 N287T256-N283 WeakPolarHBondContact CG2-ND2 3.23Å; T256-N283 WeakPolarHBondContact CG2-OD1 3.46Å; H281-N283 VanDerWaalsContact C-N 3.29Å; H281-N283 PolarHBondContact O-N 3.47Å; N283-S285 PolarHBondContact O-N 3.19Å; N283-S285 PolarHBondContact OD1-N 2.96Å; N283-S285 VanDerWaalsContact OD1-N 3.12Å; N283-S285 PolarHBondContact OD1-OG 3.39Å; N283-V286 HydrophobicContact CB-CB 4.25Å; N283-V286 HydrophobicContact CB-CG2 4.03Å; N283-V286 PolarHBondContact O-N 3.44Å; N283-V286 VanDerWaalsContact O-N 3.09Å; N283-N287 PolarHBondContact O-N 3.31Å
284K89.3Confident87.5Confident93 Ų9336.7 Ų36.740%0.40419%0.186SC..Hα-helixtrans-48.5-50.9179.2-176.8171.5178.41760114.2V286 N287 E288 N312K284-V286 VanDerWaalsContact C-N 3.31Å; K284-V286 PolarHBondContact O-N 2.99Å; K284-N287 PolarHBondContact O-N 3.3Å; K284-E288 WeakPolarHBondContact CE-OE1 3.28Å; K284-E288 HydrophobicContact CG-CG 4.35Å; K284-E288 IonicContact NZ-OE1 3.19Å; K284-E288 WeakPolarHBondContact O-CB 3.33Å; K284-E288 WeakPolarHBondContact O-CG 3.42Å; K284-E288 PolarHBondContact O-N 3.16Å; K284-N312 VanDerWaalsContact CA-O 3.28Å; K284-N312 WeakPolarHBondContact CA-O 3.27Å; K284-N312 PolarHBondContact N-ND2 2.93Å
285S88Confident87.4Confident25 Ų2537.4 Ų37.418%0.17519%0.191CC..Hα-helixtrans-62.1-38.4-178.5580000112.9T256 N283 A289T256-S285 WeakPolarHBondContact CA-OG 3.31Å; N283-S285 PolarHBondContact O-N 3.19Å; N283-S285 PolarHBondContact OD1-N 2.96Å; N283-S285 VanDerWaalsContact OD1-N 3.12Å; N283-S285 PolarHBondContact OD1-OG 3.39Å; S285-A289 WeakPolarHBondContact O-CB 3.47Å; S285-A289 PolarHBondContact O-N 2.98Å
286V88.3Confident87.3Confident1 Ų143.2 Ų43.21%0.00622%0.218CC..Hα-helixtrans-69-46.4179.1173.10000110H255 V259 L275 V278 N283 K284 A289 L290H255-V286 HydrophobicContact CB-CG2 4.01Å; V259-V286 HydrophobicContact CG2-CG2 3.83Å; L275-V286 HydrophobicContact CB-CG1 4.42Å; L275-V286 HydrophobicContact CD2-CG1 4.02Å; L275-V286 HydrophobicContact CD2-CG2 4.48Å; V278-V286 HydrophobicContact CG1-CG2 4.23Å; N283-V286 HydrophobicContact CB-CB 4.25Å; N283-V286 HydrophobicContact CB-CG2 4.03Å; N283-V286 PolarHBondContact O-N 3.44Å; N283-V286 VanDerWaalsContact O-N 3.09Å; K284-V286 VanDerWaalsContact C-N 3.31Å; K284-V286 PolarHBondContact O-N 2.99Å; V286-A289 PolarHBondContact O-N 3.28Å; V286-L290 WeakPolarHBondContact O-CB 3.25Å; V286-L290 PolarHBondContact O-N 3.05Å
287N89.1Confident87.3Confident1 Ų141.3 Ų41.31%0.00521%0.214CC..Hα-helixtrans-64.3-45.5179.3-67.6-20.5000111.5N282 N283 K284 L290 N291 N312 F313N282-N287 PolarHBondContact OD1-ND2 3.22Å; N283-N287 PolarHBondContact O-N 3.31Å; K284-N287 PolarHBondContact O-N 3.3Å; N287-L290 PolarHBondContact O-N 3.4Å; N287-N291 VanDerWaalsContact O-CB 3.23Å; N287-N291 WeakPolarHBondContact O-CB 3.35Å; N287-N291 PolarHBondContact O-N 3.43Å; N287-N291 PolarHBondContact O-ND2 2.82Å; N287-N291 PolarHBondContact O-OD1 3.44Å; N287-N312 PolarHBondContact ND2-O 3.15Å; N287-F313 HydrophobicContact CB-CB 4.02Å
288E87.8Confident87.3Confident76 Ų7643.9 Ų43.936%0.35522%0.22SC..Hα-helixtrans-62-46.7177.3-74176.9168.800112K284 N291 H292 F313 D314K284-E288 WeakPolarHBondContact CE-OE1 3.28Å; K284-E288 HydrophobicContact CG-CG 4.35Å; K284-E288 IonicContact NZ-OE1 3.19Å; K284-E288 WeakPolarHBondContact O-CB 3.33Å; K284-E288 WeakPolarHBondContact O-CG 3.42Å; K284-E288 PolarHBondContact O-N 3.16Å; E288-N291 PolarHBondContact O-N 2.91Å; E288-H292 WeakPolarHBondContact O-CB 3.4Å; E288-H292 PolarHBondContact O-N 3.22Å; E288-F313 HydrophobicContact CG-CB 4.09Å; E288-D314 PolarHBondContact OE1-N 3.26Å
289A88Confident87.5Confident11 Ų1146.1 Ų46.19%0.09123%0.232CC..Hα-helixtrans-63.6-43177.600000111.9V259 L268 S285 V286 H292 L293V259-A289 HydrophobicContact CG1-CB 3.54Å; L268-A289 HydrophobicContact CD1-CB 4.11Å; L268-A289 HydrophobicContact CD2-CB 3.82Å; L268-A289 HydrophobicContact CG-CB 4.49Å; S285-A289 WeakPolarHBondContact O-CB 3.47Å; S285-A289 PolarHBondContact O-N 2.98Å; V286-A289 PolarHBondContact O-N 3.28Å; A289-H292 PolarHBondContact O-N 3.02Å; A289-L293 WeakPolarHBondContact O-CG 3.5Å; A289-L293 PolarHBondContact O-N 3.41Å
290L89.1Confident87.5Confident2 Ų249.7 Ų49.71%0.0125%0.245CC..Hα-helixtrans-66.4-42.4177.8-17564.3000111.5L275 R276 Q279 V286 N287 H292 L293 L294L275-L290 HydrophobicContact CB-CD1 4.14Å; R276-L290 HydrophobicContact CG-CD1 4.48Å; Q279-L290 HydrophobicContact CG-CD2 4.28Å; V286-L290 WeakPolarHBondContact O-CB 3.25Å; V286-L290 PolarHBondContact O-N 3.05Å; N287-L290 PolarHBondContact O-N 3.4Å; L290-H292 VanDerWaalsContact C-N 3.32Å; L290-H292 PolarHBondContact O-N 3Å; L290-L293 PolarHBondContact O-N 3.39Å; L290-L294 HydrophobicContact CD1-CD1 4.34Å; L290-L294 HydrophobicContact CD1-CG 4.41Å; L290-L294 HydrophobicContact CG-CD1 3.9Å; L290-L294 HydrophobicContact CG-CG 4.4Å; L290-L294 WeakPolarHBondContact O-CB 3.47Å; L290-L294 VanDerWaalsContact O-CG 3.24Å; L290-L294 WeakPolarHBondContact O-CG 3.38Å; L290-L294 PolarHBondContact O-N 2.96Å
291N88.6Confident87.6Confident1 Ų152.1 Ų52.11%0.00525%0.249CC..Hα-helixtrans-64.6-38.3177.6-68.9-14.8000111.4N287 E288 L294 T295 L303 S306 L318N287-N291 VanDerWaalsContact O-CB 3.23Å; N287-N291 WeakPolarHBondContact O-CB 3.35Å; N287-N291 PolarHBondContact O-N 3.43Å; N287-N291 PolarHBondContact O-ND2 2.82Å; N287-N291 PolarHBondContact O-OD1 3.44Å; E288-N291 PolarHBondContact O-N 2.91Å; N291-L294 PolarHBondContact O-N 3.41Å; N291-T295 WeakPolarHBondContact O-CB 3.45Å; N291-T295 PolarHBondContact O-N 3.36Å; N291-T295 PolarHBondContact O-OG1 3.47Å; N291-L303 HydrophobicContact CB-CD1 3.74Å; N291-L303 WeakPolarHBondContact OD1-CD1 3.32Å; N291-S306 PolarHBondContact OD1-OG 3.08Å; N291-L318 HydrophobicContact CB-CD1 4.11Å; N291-L318 HydrophobicContact CB-CD2 4.12Å
292H87.6Confident87.7Confident85 Ų8547.6 Ų47.639%0.39423%0.233SC..Hα-helixtrans-60.1-48.8171.8-172.1-82.8000111.6E288 A289 L290 L294 T295 E296E288-H292 WeakPolarHBondContact O-CB 3.4Å; E288-H292 PolarHBondContact O-N 3.22Å; A289-H292 PolarHBondContact O-N 3.02Å; L290-H292 VanDerWaalsContact C-N 3.32Å; L290-H292 PolarHBondContact O-N 3Å; H292-L294 PolarHBondContact O-N 3.42Å; H292-T295 WeakPolarHBondContact O-CB 3.36Å; H292-T295 PolarHBondContact O-N 3.17Å; H292-E296 IonicContact CE1-OE1 3.13Å; H292-E296 PolarHBondContact CE1-OE1 3.02Å; H292-E296 IonicContact CE1-OE2 3.05Å; H292-E296 IonicContact ND1-OE1 2.82Å; H292-E296 IonicContact ND1-OE2 2.62Å; H292-E296 PolarHBondContact ND1-OE2 3.44Å; H292-E296 WeakPolarHBondContact O-CG 3.23Å; H292-E296 PolarHBondContact O-N 3.27Å
293L88.3Confident87.8Confident2 Ų245.4 Ų45.41%0.0122%0.221CC..Hα-helixtrans-59.7-46.1177.5-71.4173.9000112.5L268 P269 L275 A289 L290 T295 E296 E297L268-L293 HydrophobicContact CB-CD2 4.25Å; L268-L293 HydrophobicContact CD2-CD1 3.69Å; L268-L293 HydrophobicContact CD2-CD2 3.72Å; L268-L293 HydrophobicContact CD2-CG 3.49Å; L268-L293 VanDerWaalsContact CD2-CG 3.49Å; L268-L293 HydrophobicContact CG-CD1 3.97Å; L268-L293 HydrophobicContact CG-CD2 4.25Å; L268-L293 HydrophobicContact CG-CG 4.24Å; P269-L293 HydrophobicContact CB-CD2 4.12Å; P269-L293 HydrophobicContact CG-CD2 3.7Å; L275-L293 HydrophobicContact CD1-CD1 3.7Å; A289-L293 WeakPolarHBondContact O-CG 3.5Å; A289-L293 PolarHBondContact O-N 3.41Å; L290-L293 PolarHBondContact O-N 3.39Å; L293-T295 PolarHBondContact O-N 2.97Å; L293-E296 PolarHBondContact O-N 3.27Å; L293-E297 WeakPolarHBondContact O-CB 3.48Å; L293-E297 VanDerWaalsContact O-CG 3.29Å; L293-E297 WeakPolarHBondContact O-CG 3.44Å; L293-E297 PolarHBondContact O-N 3.16Å
294L87.6Confident87.7Confident4 Ų447.4 Ų47.42%0.02123%0.226CC..Hα-helixtrans-65.9-29.2179.8-67.1167.6000111.9L290 N291 H292 E298 D299 L303L290-L294 HydrophobicContact CD1-CD1 4.34Å; L290-L294 HydrophobicContact CD1-CG 4.41Å; L290-L294 HydrophobicContact CG-CD1 3.9Å; L290-L294 HydrophobicContact CG-CG 4.4Å; L290-L294 WeakPolarHBondContact O-CB 3.47Å; L290-L294 VanDerWaalsContact O-CG 3.24Å; L290-L294 WeakPolarHBondContact O-CG 3.38Å; L290-L294 PolarHBondContact O-N 2.96Å; N291-L294 PolarHBondContact O-N 3.41Å; H292-L294 PolarHBondContact O-N 3.42Å; L294-E298 PolarHBondContact O-N 2.64Å; L294-D299 HydrophobicContact CD2-CB 3.96Å; L294-D299 PolarHBondContact O-N 2.94Å; L294-L303 HydrophobicContact CB-CB 4.13Å; L294-L303 HydrophobicContact CB-CD1 4.26Å; L294-L303 HydrophobicContact CD1-CB 4.37Å; L294-L303 HydrophobicContact CD1-CD1 4.37Å
295T87.1Confident87.6Confident17 Ų1746 Ų4610%0.10423%0.231CC..Hα-helixtrans-70.1-43.8173.2-53.80000110.9N291 H292 L293 E298 L322N291-T295 WeakPolarHBondContact O-CB 3.45Å; N291-T295 PolarHBondContact O-N 3.36Å; N291-T295 PolarHBondContact O-OG1 3.47Å; H292-T295 WeakPolarHBondContact O-CB 3.36Å; H292-T295 PolarHBondContact O-N 3.17Å; L293-T295 PolarHBondContact O-N 2.97Å; T295-E298 PolarHBondContact O-N 3.32Å; T295-L322 HydrophobicContact CG2-CD2 3.83Å
296E86.1Confident87.5Confident122 Ų12245 Ų4557%0.5723%0.225SC*.Hα-helixtrans-66.9-35.6176.9-69.8179.7140.300113.3H292 L293 E298H292-E296 IonicContact CE1-OE1 3.13Å; H292-E296 PolarHBondContact CE1-OE1 3.02Å; H292-E296 IonicContact CE1-OE2 3.05Å; H292-E296 IonicContact ND1-OE1 2.82Å; H292-E296 IonicContact ND1-OE2 2.62Å; H292-E296 PolarHBondContact ND1-OE2 3.44Å; H292-E296 WeakPolarHBondContact O-CG 3.23Å; H292-E296 PolarHBondContact O-N 3.27Å; L293-E296 PolarHBondContact O-N 3.27Å; E296-E298 VanDerWaalsContact C-N 3.27Å
297E86.2Confident87.4Confident84 Ų8445.7 Ų45.739%0.39323%0.228SC..THydrogen-bonded Turntrans-82.7-2.9178.3-67.7175.3147.800113.6K272 L293 D299K272-E297 WeakPolarHBondContact CD-OE1 3.38Å; K272-E297 VanDerWaalsContact CE-OE2 3.29Å; K272-E297 WeakPolarHBondContact CE-OE2 3.36Å; K272-E297 IonicContact NZ-OE1 3.46Å; K272-E297 PolarHBondContact NZ-OE1 3.43Å; K272-E297 IonicContact NZ-OE2 2.71Å; K272-E297 PolarHBondContact NZ-OE2 3.33Å; L293-E297 WeakPolarHBondContact O-CB 3.48Å; L293-E297 VanDerWaalsContact O-CG 3.29Å; L293-E297 WeakPolarHBondContact O-CG 3.44Å; L293-E297 PolarHBondContact O-N 3.16Å; E297-D299 PolarHBondContact O-N 3.27Å
298E87.1Confident87.1Confident110 Ų11049.7 Ų49.751%0.51425%0.25SC..THydrogen-bonded Turntrans60.424-177.2-54.6-177.6154.300115L294 T295 E296 Y300 L327 F330L294-E298 PolarHBondContact O-N 2.64Å; T295-E298 PolarHBondContact O-N 3.32Å; E296-E298 VanDerWaalsContact C-N 3.27Å; E298-Y300 PolarHBondContact O-N 3.35Å; E298-Y300 VanDerWaalsContact O-N 3.15Å; E298-L327 HydrophobicContact CB-CD1 3.95Å; E298-L327 HydrophobicContact CG-CD1 3.95Å; E298-F330 HydrophobicContact CB-CE2 4.1Å; E298-F330 HydrophobicContact CG-CE2 4.46Å
299D89.2Confident87.1Confident48 Ų4849.2 Ų49.226%0.25726%0.259SS..  trans-8682.4179.2-174.52.1000111.8R276 L294 E297 Q301 G302 L303R276-D299 IonicContact NH2-OD2 3.85Å; L294-D299 HydrophobicContact CD2-CB 3.96Å; L294-D299 PolarHBondContact O-N 2.94Å; E297-D299 PolarHBondContact O-N 3.27Å; D299-Q301 VanDerWaalsContact C-N 3.34Å; D299-Q301 PolarHBondContact O-N 2.96Å; D299-Q301 PolarHBondContact OD1-N 3.13Å; D299-G302 PolarHBondContact OD1-N 3.37Å; D299-L303 WeakPolarHBondContact O-CB 3.33Å; D299-L303 PolarHBondContact O-N 3.47Å
300Y86.6Confident87Confident93 Ų9351.7 Ų51.737%0.36527%0.266SS..Hα-helixtrans-66.6-31.2179.162.7-91.2000113.6E298 R304 E329E298-Y300 PolarHBondContact O-N 3.35Å; E298-Y300 VanDerWaalsContact O-N 3.15Å; Y300-R304 VanDerWaalsContact O-CB 3.3Å; Y300-R304 WeakPolarHBondContact O-CB 3.47Å; Y300-R304 PolarHBondContact O-N 3.3Å; Y300-E329 HydrophobicContact CD1-CB 4.38Å; Y300-E329 HydrophobicContact CD1-CG 4.37Å; Y300-E329 HydrophobicContact CD2-CB 4.35Å; Y300-E329 HydrophobicContact CD2-CG 4.35Å; Y300-E329 HydrophobicContact CG-CB 3.99Å; Y300-E329 HydrophobicContact CG-CG 4.25Å
301Q87Confident86.9Confident127 Ų12757.3 Ų57.359%0.59330%0.296SS*.Hα-helixtrans-72.4-45.6-179.6-60.5-1753.500110.5D299 L303 R304 A305D299-Q301 VanDerWaalsContact C-N 3.34Å; D299-Q301 PolarHBondContact O-N 2.96Å; D299-Q301 PolarHBondContact OD1-N 3.13Å; Q301-L303 VanDerWaalsContact C-N 3.35Å; Q301-R304 PolarHBondContact O-N 3.04Å; Q301-A305 PolarHBondContact O-N 2.87Å
302G85.9Confident86.9Confident19 Ų1960.6 Ų60.620%0.19631%0.314CS..Hα-helixtrans-60.6-44.5173.800000111.6D299 R304 A305 S306D299-G302 PolarHBondContact OD1-N 3.37Å; G302-R304 VanDerWaalsContact C-N 3.32Å; G302-R304 PolarHBondContact O-N 3.23Å; G302-A305 PolarHBondContact O-N 3.04Å; G302-S306 WeakPolarHBondContact O-CB 3.42Å; G302-S306 PolarHBondContact O-N 3.1Å
303L88.1Confident86.9Confident0 Ų057.4 Ų57.40%030%0.299CS..Hα-helixtrans-61.7-42.6177.9-17665.3000111.4N291 L294 D299 Q301 S306 I307 L322 F330 I333N291-L303 HydrophobicContact CB-CD1 3.74Å; N291-L303 WeakPolarHBondContact OD1-CD1 3.32Å; L294-L303 HydrophobicContact CB-CB 4.13Å; L294-L303 HydrophobicContact CB-CD1 4.26Å; L294-L303 HydrophobicContact CD1-CB 4.37Å; L294-L303 HydrophobicContact CD1-CD1 4.37Å; D299-L303 WeakPolarHBondContact O-CB 3.33Å; D299-L303 PolarHBondContact O-N 3.47Å; Q301-L303 VanDerWaalsContact C-N 3.35Å; L303-S306 WeakPolarHBondContact O-CB 3.38Å; L303-S306 PolarHBondContact O-N 3.42Å; L303-I307 HydrophobicContact CD1-CD1 3.91Å; L303-I307 HydrophobicContact CD1-CG1 4.36Å; L303-I307 HydrophobicContact CD2-CD1 4.4Å; L303-I307 HydrophobicContact CG-CD1 3.75Å; L303-I307 WeakPolarHBondContact O-CD1 3.41Å; L303-I307 VanDerWaalsContact O-CG1 3.28Å; L303-I307 WeakPolarHBondContact O-CG1 3.41Å; L303-I307 PolarHBondContact O-N 3.29Å; L303-L322 HydrophobicContact CD2-CD1 4.24Å; L303-L322 HydrophobicContact CD2-CD2 4.17Å; L303-F330 HydrophobicContact CB-CE1 4.49Å; L303-F330 HydrophobicContact CD2-CD1 3.72Å; L303-F330 HydrophobicContact CD2-CE1 3.56Å; L303-I333 HydrophobicContact CD2-CD1 4.13Å; L303-I333 HydrophobicContact CD2-CG2 4.26Å
304R86.1Confident86.8Confident75 Ų7560.1 Ų60.128%0.28331%0.314SS..Hα-helixtrans-64.5-48.6-179.9-176.660.7-172.6-145.72.1112.5Y300 Q301 G302 S306 I307 D308 Y336Y300-R304 VanDerWaalsContact O-CB 3.3Å; Y300-R304 WeakPolarHBondContact O-CB 3.47Å; Y300-R304 PolarHBondContact O-N 3.3Å; Q301-R304 PolarHBondContact O-N 3.04Å; G302-R304 VanDerWaalsContact C-N 3.32Å; G302-R304 PolarHBondContact O-N 3.23Å; R304-S306 VanDerWaalsContact C-N 3.28Å; R304-S306 PolarHBondContact O-N 3.11Å; R304-I307 PolarHBondContact O-N 3.17Å; R304-D308 IonicContact CZ-OD1 2.7Å; R304-D308 IonicContact CZ-OD2 2.82Å; R304-D308 IonicContact NE-OD1 3.29Å; R304-D308 PolarHBondContact NE-OD1 3.43Å; R304-D308 IonicContact NE-OD2 3.62Å; R304-D308 PolarHBondContact NE-OD2 2.84Å; R304-D308 IonicContact NH2-OD1 2.61Å; R304-D308 IonicContact NH2-OD2 2.64Å; R304-D308 WeakPolarHBondContact O-CB 3.37Å; R304-D308 PolarHBondContact O-N 3.34Å; R304-Y336 VanDerWaalsContact CZ-CD1 3.46Å; R304-Y336 VanDerWaalsContact CZ-CZ 3.48Å; R304-Y336 VanDerWaalsContact NH1-CE1 3.33Å; R304-Y336 VanDerWaalsContact NH2-CE1 3.26Å; R304-Y336 PolarHBondContact NH2-OH 3.12Å; R304-Y336 VanDerWaalsContact NH2-OH 3.15Å
305A87.5Confident86.7Confident62 Ų6261.8 Ų61.851%0.51232%0.322SS..Hα-helixtrans-62.9-37177.500000112.2Q301 G302 A309Q301-A305 PolarHBondContact O-N 2.87Å; G302-A305 PolarHBondContact O-N 3.04Å; A305-A309 WeakPolarHBondContact O-CB 3.47Å; A305-A309 PolarHBondContact O-N 2.62Å
306S86.9Confident86.6Confident6 Ų663.4 Ų63.44%0.04233%0.33CS..Hα-helixtrans-59-51.6174.6175.90000111.5Q279 N291 G302 L303 R304 Y310Q279-S306 PolarHBondContact NE2-OG 3Å; N291-S306 PolarHBondContact OD1-OG 3.08Å; G302-S306 WeakPolarHBondContact O-CB 3.42Å; G302-S306 PolarHBondContact O-N 3.1Å; L303-S306 WeakPolarHBondContact O-CB 3.38Å; L303-S306 PolarHBondContact O-N 3.42Å; R304-S306 VanDerWaalsContact C-N 3.28Å; R304-S306 PolarHBondContact O-N 3.11Å; S306-Y310 PolarHBondContact O-N 2.93Å
307I84.8Confident86.7Confident15 Ų1559.7 Ų59.78%0.07732%0.317CS..Hα-helixtrans-67.3-43.1-178.6-69.4165.7000111.9L303 R304 A309 F313 L318 I333 L337L303-I307 HydrophobicContact CD1-CD1 3.91Å; L303-I307 HydrophobicContact CD1-CG1 4.36Å; L303-I307 HydrophobicContact CD2-CD1 4.4Å; L303-I307 HydrophobicContact CG-CD1 3.75Å; L303-I307 WeakPolarHBondContact O-CD1 3.41Å; L303-I307 VanDerWaalsContact O-CG1 3.28Å; L303-I307 WeakPolarHBondContact O-CG1 3.41Å; L303-I307 PolarHBondContact O-N 3.29Å; R304-I307 PolarHBondContact O-N 3.17Å; I307-A309 VanDerWaalsContact C-N 3.26Å; I307-A309 PolarHBondContact O-N 3.04Å; I307-F313 HydrophobicContact CB-CE1 4.4Å; I307-F313 HydrophobicContact CB-CZ 4.23Å; I307-F313 HydrophobicContact CG1-CE1 4.17Å; I307-F313 HydrophobicContact CG1-CZ 3.82Å; I307-F313 HydrophobicContact CG2-CE1 4.14Å; I307-F313 HydrophobicContact CG2-CZ 3.75Å; I307-L318 HydrophobicContact CD1-CD2 4.19Å; I307-I333 HydrophobicContact CD1-CG2 3.93Å; I307-L337 HydrophobicContact CD1-CD1 4.38Å; I307-L337 HydrophobicContact CD1-CD2 4.21Å; I307-L337 HydrophobicContact CG2-CD2 3.85Å
308D84.5Confident86.7Confident85 Ų8556.2 Ų56.246%0.45530%0.301SS..Hα-helixtrans-68.7-27.8-176.7-74.5-26.7000112R304 Y336R304-D308 IonicContact CZ-OD1 2.7Å; R304-D308 IonicContact CZ-OD2 2.82Å; R304-D308 IonicContact NE-OD1 3.29Å; R304-D308 PolarHBondContact NE-OD1 3.43Å; R304-D308 IonicContact NE-OD2 3.62Å; R304-D308 PolarHBondContact NE-OD2 2.84Å; R304-D308 IonicContact NH2-OD1 2.61Å; R304-D308 IonicContact NH2-OD2 2.64Å; R304-D308 WeakPolarHBondContact O-CB 3.37Å; R304-D308 PolarHBondContact O-N 3.34Å; D308-Y336 WeakPolarHBondContact OD1-CE1 3.27Å; D308-Y336 PolarHBondContact OD1-OH 3.42Å
309A86.9Confident86.6Confident66 Ų6651 Ų5155%0.54528%0.277SS..Hα-helixtrans-88.9-31.2178.500000113.7A305 I307A305-A309 WeakPolarHBondContact O-CB 3.47Å; A305-A309 PolarHBondContact O-N 2.62Å; I307-A309 VanDerWaalsContact C-N 3.26Å; I307-A309 PolarHBondContact O-N 3.04Å
310Y86.9Confident86.5Confident62 Ų6253.2 Ų53.224%0.24329%0.286CS..  trans-134.5113.3-170.9-54.7-74.6000111.5Q279 N282 S306 F313Q279-Y310 HydrophobicContact CB-CD2 4.45Å; Q279-Y310 HydrophobicContact CB-CE2 3.99Å; Q279-Y310 HydrophobicContact CG-CD1 4.5Å; Q279-Y310 HydrophobicContact CG-CD2 3.45Å; Q279-Y310 VanDerWaalsContact CG-CD2 3.45Å; Q279-Y310 HydrophobicContact CG-CE2 3.46Å; Q279-Y310 VanDerWaalsContact CG-CE2 3.46Å; Q279-Y310 HydrophobicContact CG-CG 3.96Å; Q279-Y310 WeakPolarHBondContact O-CD1 3.32Å; Q279-Y310 WeakPolarHBondContact O-CE1 3.08Å; N282-Y310 HydrophobicContact CB-CD1 4.23Å; S306-Y310 PolarHBondContact O-N 2.93Å; Y310-F313 WeakPolarHBondContact O-CD1 3.15Å; Y310-F313 VanDerWaalsContact O-CE1 3.3Å; Y310-F313 WeakPolarHBondContact O-CE1 3.49Å
311D85.4Confident86.4Confident121 Ų12153.8 Ų53.865%0.64729%0.292SS*.  trans-97.4-7.4-168.962.2-13.5000114.9N282 F313N282-D311 PolarHBondContact ND2-OD1 3.22Å; D311-F313 PolarHBondContact O-N 3.25Å
312N88.9Confident86.4Confident69 Ų6947.7 Ų47.737%0.36926%0.263SS..  trans-83.881.3-177.4-170.515.7000111N282 K284 N287N282-N312 WeakPolarHBondContact O-CB 3.33Å; N282-N312 PolarHBondContact O-ND2 3.23Å; N282-N312 WeakPolarHBondContact OD1-CB 3.39Å; N282-N312 PolarHBondContact OD1-N 3.16Å; K284-N312 VanDerWaalsContact CA-O 3.28Å; K284-N312 WeakPolarHBondContact CA-O 3.27Å; K284-N312 PolarHBondContact N-ND2 2.93Å; N287-N312 PolarHBondContact ND2-O 3.15Å
313F87.6Confident86.3Confident19 Ų1949.9 Ų49.98%0.08327%0.268CS..SBendtrans-156.8171.7170.262.2-85.3000110.6N287 E288 I307 Y310 D311 N315 L318 L337N287-F313 HydrophobicContact CB-CB 4.02Å; E288-F313 HydrophobicContact CG-CB 4.09Å; I307-F313 HydrophobicContact CB-CE1 4.4Å; I307-F313 HydrophobicContact CB-CZ 4.23Å; I307-F313 HydrophobicContact CG1-CE1 4.17Å; I307-F313 HydrophobicContact CG1-CZ 3.82Å; I307-F313 HydrophobicContact CG2-CE1 4.14Å; I307-F313 HydrophobicContact CG2-CZ 3.75Å; Y310-F313 WeakPolarHBondContact O-CD1 3.15Å; Y310-F313 VanDerWaalsContact O-CE1 3.3Å; Y310-F313 WeakPolarHBondContact O-CE1 3.49Å; D311-F313 PolarHBondContact O-N 3.25Å; F313-N315 HydrophobicContact CE2-CB 4.47Å; F313-N315 WeakPolarHBondContact CE2-OD1 3.37Å; F313-N315 WeakPolarHBondContact CZ-OD1 3.16Å; F313-N315 PolarHBondContact O-N 2.98Å; F313-L318 HydrophobicContact CD2-CD2 3.89Å; F313-L318 HydrophobicContact CE2-CD2 3.57Å; F313-L318 HydrophobicContact CZ-CD2 4.48Å; F313-L337 HydrophobicContact CE2-CD2 3.97Å; F313-L337 HydrophobicContact CZ-CD2 3.83Å
314D86.9Confident86.2Confident59 Ų5958.5 Ų58.532%0.31631%0.306SS..  trans-80.994.6174.7-1754000112E288 I316 S317 L318E288-D314 PolarHBondContact OE1-N 3.26Å; D314-I316 PolarHBondContact O-N 3.49Å; D314-I316 PolarHBondContact OD1-N 3.38Å; D314-I316 VanDerWaalsContact OD1-N 3.15Å; D314-S317 WeakPolarHBondContact CB-OG 2.88Å; D314-S317 PolarHBondContact O-OG 3.41Å; D314-S317 PolarHBondContact OD1-N 3.18Å; D314-S317 WeakPolarHBondContact OD2-CB 3.4Å; D314-S317 PolarHBondContact OD2-OG 2.94Å; D314-L318 WeakPolarHBondContact O-CB 3.37Å; D314-L318 PolarHBondContact O-N 3.43Å
315N84.8Confident86Confident38 Ų3857 Ų5720%0.20330%0.302CS..Hα-helixtrans-55.8-35.6178.7-62.9-23.2000113.1F313 A319 N341F313-N315 HydrophobicContact CE2-CB 4.47Å; F313-N315 WeakPolarHBondContact CE2-OD1 3.37Å; F313-N315 WeakPolarHBondContact CZ-OD1 3.16Å; F313-N315 PolarHBondContact O-N 2.98Å; N315-A319 VanDerWaalsContact O-CB 3.22Å; N315-A319 WeakPolarHBondContact O-CB 3.25Å; N315-A319 PolarHBondContact O-N 3.41Å; N315-N341 PolarHBondContact ND2-OD1 2.87Å
316I85.5Confident85.7Confident51 Ų5163.1 Ų63.126%0.26232%0.32SS..Hα-helixtrans-78.4-50.2-170.3-66.4165.2000110.2D314 L318 A319 Q320 N341 W343D314-I316 PolarHBondContact O-N 3.49Å; D314-I316 PolarHBondContact OD1-N 3.38Å; D314-I316 VanDerWaalsContact OD1-N 3.15Å; I316-L318 VanDerWaalsContact C-N 3.31Å; I316-L318 PolarHBondContact O-N 3Å; I316-A319 PolarHBondContact O-N 3.01Å; I316-Q320 WeakPolarHBondContact O-CG 3.29Å; I316-Q320 PolarHBondContact O-N 3.18Å; I316-N341 WeakPolarHBondContact CG1-ND2 3.35Å; I316-W343 HydrophobicContact CB-CH2 4.23Å; I316-W343 HydrophobicContact CB-CZ3 4.32Å; I316-W343 HydrophobicContact CD1-CH2 3.5Å; I316-W343 HydrophobicContact CD1-CZ2 3.67Å; I316-W343 HydrophobicContact CD1-CZ3 4.27Å; I316-W343 HydrophobicContact CG1-CH2 3.64Å; I316-W343 HydrophobicContact CG1-CZ2 4.14Å; I316-W343 HydrophobicContact CG1-CZ3 3.89Å; I316-W343 HydrophobicContact CG2-CH2 3.55Å; I316-W343 HydrophobicContact CG2-CZ3 3.61Å
317S87.1Confident85.5Confident44 Ų4465.4 Ų65.431%0.30833%0.332SS..Hα-helixtrans-65.4-38.2179.759.60000111.5D314 Q320 Q321D314-S317 WeakPolarHBondContact CB-OG 2.88Å; D314-S317 PolarHBondContact O-OG 3.41Å; D314-S317 PolarHBondContact OD1-N 3.18Å; D314-S317 WeakPolarHBondContact OD2-CB 3.4Å; D314-S317 PolarHBondContact OD2-OG 2.94Å; S317-Q320 PolarHBondContact O-N 3.35Å; S317-Q321 WeakPolarHBondContact O-CG 3.48Å; S317-Q321 PolarHBondContact O-N 3.19Å; S317-Q321 VanDerWaalsContact O-N 3.11Å
318L86.6Confident85.4Confident11 Ų1168.6 Ų68.66%0.05835%0.347CS..Hα-helixtrans-62.2-47.2174-174.164.6000111.5N291 I307 F313 D314 I316 Q320 Q321 L322 L337N291-L318 HydrophobicContact CB-CD1 4.11Å; N291-L318 HydrophobicContact CB-CD2 4.12Å; I307-L318 HydrophobicContact CD1-CD2 4.19Å; F313-L318 HydrophobicContact CD2-CD2 3.89Å; F313-L318 HydrophobicContact CE2-CD2 3.57Å; F313-L318 HydrophobicContact CZ-CD2 4.48Å; D314-L318 WeakPolarHBondContact O-CB 3.37Å; D314-L318 PolarHBondContact O-N 3.43Å; I316-L318 VanDerWaalsContact C-N 3.31Å; I316-L318 PolarHBondContact O-N 3Å; L318-Q320 VanDerWaalsContact C-N 3.32Å; L318-Q320 PolarHBondContact O-N 2.95Å; L318-Q321 WeakPolarHBondContact O-CB 3.25Å; L318-Q321 PolarHBondContact O-N 3.28Å; L318-Q321 VanDerWaalsContact O-N 3.14Å; L318-L322 HydrophobicContact CD1-CD1 4.38Å; L318-L322 HydrophobicContact CD1-CG 4.38Å; L318-L322 HydrophobicContact CG-CD1 3.97Å; L318-L322 HydrophobicContact CG-CG 4.37Å; L318-L322 VanDerWaalsContact O-CG 3.3Å; L318-L322 WeakPolarHBondContact O-CG 3.35Å; L318-L322 PolarHBondContact O-N 3.27Å; L318-L337 HydrophobicContact CB-CD1 4.41Å; L318-L337 HydrophobicContact CD2-CD1 3.86Å; L318-L337 HydrophobicContact CG-CD1 4.03Å
319A85Confident85.3Confident0 Ų068.5 Ų68.50%034%0.344CS..Hα-helixtrans-61.1-39.3178.700000112.6N315 I316 Q321 L322 E323 L337 Y338N315-A319 VanDerWaalsContact O-CB 3.22Å; N315-A319 WeakPolarHBondContact O-CB 3.25Å; N315-A319 PolarHBondContact O-N 3.41Å; I316-A319 PolarHBondContact O-N 3.01Å; A319-Q321 VanDerWaalsContact C-N 3.32Å; A319-Q321 PolarHBondContact O-N 3.47Å; A319-L322 PolarHBondContact O-N 3.23Å; A319-E323 PolarHBondContact O-N 2.99Å; A319-L337 HydrophobicContact CB-CB 4.05Å; A319-L337 HydrophobicContact CB-CD1 4.29Å; A319-Y338 HydrophobicContact CB-CD1 3.96Å; A319-Y338 HydrophobicContact CB-CD2 4.21Å; A319-Y338 HydrophobicContact CB-CE1 3.59Å; A319-Y338 HydrophobicContact CB-CE2 3.87Å; A319-Y338 HydrophobicContact CB-CG 4.26Å
320Q87.1Confident85.1Confident96 Ų9665.3 Ų65.345%0.44932%0.318SS..Hα-helixtrans-65.6-32.8175.8-72.3177.92.600113.5I316 S317 L318 Y338I316-Q320 WeakPolarHBondContact O-CG 3.29Å; I316-Q320 PolarHBondContact O-N 3.18Å; S317-Q320 PolarHBondContact O-N 3.35Å; L318-Q320 VanDerWaalsContact C-N 3.32Å; L318-Q320 PolarHBondContact O-N 2.95Å; Q320-Y338 WeakPolarHBondContact CG-OH 3.33Å
321Q85.9Confident85Confident104 Ų10464.5 Ų64.549%0.48631%0.314SS..Hα-helixtrans-70.4-46.4173.8-72.6177.8-7.900110.8S317 L318 A319 E323 K324S317-Q321 WeakPolarHBondContact O-CG 3.48Å; S317-Q321 PolarHBondContact O-N 3.19Å; S317-Q321 VanDerWaalsContact O-N 3.11Å; L318-Q321 WeakPolarHBondContact O-CB 3.25Å; L318-Q321 PolarHBondContact O-N 3.28Å; L318-Q321 VanDerWaalsContact O-N 3.14Å; A319-Q321 VanDerWaalsContact C-N 3.32Å; A319-Q321 PolarHBondContact O-N 3.47Å; Q321-E323 VanDerWaalsContact C-N 3.34Å; Q321-E323 PolarHBondContact O-N 3.23Å; Q321-K324 PolarHBondContact O-N 3.11Å
322L85.4Confident84.8Confident0 Ų060.4 Ų60.40%030%0.295CS..Hα-helixtrans-67-30.9-179.1-66175.9000113.1T295 L303 L318 A319 K324 H325 F330 I333 A334 L337T295-L322 HydrophobicContact CG2-CD2 3.83Å; L303-L322 HydrophobicContact CD2-CD1 4.24Å; L303-L322 HydrophobicContact CD2-CD2 4.17Å; L318-L322 HydrophobicContact CD1-CD1 4.38Å; L318-L322 HydrophobicContact CD1-CG 4.38Å; L318-L322 HydrophobicContact CG-CD1 3.97Å; L318-L322 HydrophobicContact CG-CG 4.37Å; L318-L322 VanDerWaalsContact O-CG 3.3Å; L318-L322 WeakPolarHBondContact O-CG 3.35Å; L318-L322 PolarHBondContact O-N 3.27Å; A319-L322 PolarHBondContact O-N 3.23Å; L322-K324 PolarHBondContact O-N 3.08Å; L322-H325 WeakPolarHBondContact O-CB 3.17Å; L322-H325 PolarHBondContact O-N 3.1Å; L322-H325 VanDerWaalsContact O-N 3.13Å; L322-F330 HydrophobicContact CD2-CB 3.98Å; L322-F330 HydrophobicContact CD2-CD1 3.64Å; L322-F330 HydrophobicContact CD2-CE1 4.48Å; L322-F330 HydrophobicContact CD2-CG 4.05Å; L322-I333 HydrophobicContact CD1-CB 4.45Å; L322-I333 HydrophobicContact CD1-CG2 3.93Å; L322-A334 HydrophobicContact CB-CB 3.7Å; L322-L337 HydrophobicContact CD1-CD1 3.82Å
323E84.4Confident84.6Confident64 Ų6457.7 Ų57.730%0.29928%0.28SS..Hα-helixtrans-57.8-32.7174.1166.2166.3-161.100112.6A319 Q321 H325 L350 K353A319-E323 PolarHBondContact O-N 2.99Å; Q321-E323 VanDerWaalsContact C-N 3.34Å; Q321-E323 PolarHBondContact O-N 3.23Å; E323-H325 VanDerWaalsContact C-N 3.32Å; E323-L350 HydrophobicContact CB-CD1 3.98Å; E323-L350 HydrophobicContact CG-CD1 3.51Å; E323-K353 IonicContact OE1-NZ 2.65Å; E323-K353 PolarHBondContact OE1-NZ 2.7Å
324K85.1Confident84.5Confident181 Ų18156.8 Ų56.879%0.78728%0.276SS*.THydrogen-bonded Turntrans-85.9-4.4-178-62.5177.2-173.8172.60113.2Q321 L322Q321-K324 PolarHBondContact O-N 3.11Å; L322-K324 PolarHBondContact O-N 3.08Å
325H83.9Confident84.3Confident45 Ų4554.1 Ų54.121%0.20826%0.262CS..  trans-72.7148.5-175.3-149.7-89000111.6L322 E323 L327 F330 R331L322-H325 WeakPolarHBondContact O-CB 3.17Å; L322-H325 PolarHBondContact O-N 3.1Å; L322-H325 VanDerWaalsContact O-N 3.13Å; E323-H325 VanDerWaalsContact C-N 3.32Å; H325-L327 PolarHBondContact ND1-N 2.73Å; H325-F330 HydrophobicContact CB-CB 4.02Å; H325-F330 AromaticContact CE1-CD2 3.77Å; H325-F330 AromaticContact ND1-CD2 3.49Å; H325-F330 WeakPolarHBondContact ND1-CD2 3.47Å; H325-R331 WeakPolarHBondContact O-CD 3.43Å
326Q79.3Confident84.2Confident190 Ų19055.7 Ų55.789%0.88827%0.266SS*.SBendtrans-74-30.4-177.2-62.8-178.314.400112.5
327L84.6Confident84.2Confident54 Ų5453.7 Ų53.728%0.28326%0.255SS..SBendtrans-79.5137.4-179.2-64.4174.1000111.7E298 H325 F330E298-L327 HydrophobicContact CB-CD1 3.95Å; E298-L327 HydrophobicContact CG-CD1 3.95Å; H325-L327 PolarHBondContact ND1-N 2.73Å; L327-F330 HydrophobicContact CB-CD2 4Å; L327-F330 HydrophobicContact CD1-CD2 3.99Å; L327-F330 HydrophobicContact CD1-CE2 3.88Å
328M82.1Confident84.1Confident82 Ų8251.9 Ų51.940%0.40424%0.242SC..Hα-helixtrans-68.2-35.2-179.2-62.1-65.3-68.300111.8F330 R331 C332 D354M328-F330 VanDerWaalsContact C-N 3.33Å; M328-F330 PolarHBondContact O-N 2.95Å; M328-R331 PolarHBondContact O-N 3.36Å; M328-C332 PolarHBondContact O-N 3.32Å; M328-C332 PolarHBondContact O-SG 2.88Å; M328-D354 HydrophobicContact CE-CB 3.56Å; M328-D354 WeakPolarHBondContact CE-OD1 3.4Å
329E81.3Confident83.9Confident82 Ų8253.3 Ų53.338%0.38325%0.248SC..Hα-helixtrans-62.4-39.9-178.3-61.897.2164.700112.1Y300 C332 I333Y300-E329 HydrophobicContact CD1-CB 4.38Å; Y300-E329 HydrophobicContact CD1-CG 4.37Å; Y300-E329 HydrophobicContact CD2-CB 4.35Å; Y300-E329 HydrophobicContact CD2-CG 4.35Å; Y300-E329 HydrophobicContact CG-CB 3.99Å; Y300-E329 HydrophobicContact CG-CG 4.25Å; E329-C332 WeakPolarHBondContact O-CB 3.47Å; E329-C332 PolarHBondContact O-N 2.97Å; E329-I333 WeakPolarHBondContact O-CG1 3.48Å; E329-I333 PolarHBondContact O-N 2.88Å
330F84.3Confident83.7Confident0 Ų056 Ų560%028%0.276CS..Hα-helixtrans-67.4-36.5176.3-75.7-59.1000112.6E298 L303 L322 H325 L327 M328 C332 I333 A334E298-F330 HydrophobicContact CB-CE2 4.1Å; E298-F330 HydrophobicContact CG-CE2 4.46Å; L303-F330 HydrophobicContact CB-CE1 4.49Å; L303-F330 HydrophobicContact CD2-CD1 3.72Å; L303-F330 HydrophobicContact CD2-CE1 3.56Å; L322-F330 HydrophobicContact CD2-CB 3.98Å; L322-F330 HydrophobicContact CD2-CD1 3.64Å; L322-F330 HydrophobicContact CD2-CE1 4.48Å; L322-F330 HydrophobicContact CD2-CG 4.05Å; H325-F330 HydrophobicContact CB-CB 4.02Å; H325-F330 AromaticContact CE1-CD2 3.77Å; H325-F330 AromaticContact ND1-CD2 3.49Å; H325-F330 WeakPolarHBondContact ND1-CD2 3.47Å; L327-F330 HydrophobicContact CB-CD2 4Å; L327-F330 HydrophobicContact CD1-CD2 3.99Å; L327-F330 HydrophobicContact CD1-CE2 3.88Å; M328-F330 VanDerWaalsContact C-N 3.33Å; M328-F330 PolarHBondContact O-N 2.95Å; F330-C332 VanDerWaalsContact C-N 3.34Å; F330-I333 HydrophobicContact CD1-CD1 4.22Å; F330-I333 PolarHBondContact O-N 3.15Å; F330-A334 PolarHBondContact O-N 3.44Å
331R83.1Confident83.4Confident45 Ų4554.2 Ų54.217%0.1727%0.269CS..Hα-helixtrans-66.7-37.3173.3-64.9177.164.5-160-7.1111.4H325 M328 I333 A334 A335 L350 D354H325-R331 WeakPolarHBondContact O-CD 3.43Å; M328-R331 PolarHBondContact O-N 3.36Å; R331-I333 VanDerWaalsContact C-N 3.34Å; R331-I333 PolarHBondContact O-N 3.36Å; R331-A334 WeakPolarHBondContact O-CB 3.4Å; R331-A334 PolarHBondContact O-N 3.29Å; R331-A334 VanDerWaalsContact O-N 3.17Å; R331-A335 PolarHBondContact O-N 2.88Å; R331-L350 HydrophobicContact CB-CD2 4.32Å; R331-L350 WeakPolarHBondContact O-CD2 3.26Å; R331-D354 IonicContact CZ-OD1 3.06Å; R331-D354 IonicContact CZ-OD2 2.58Å; R331-D354 IonicContact NE-OD1 3.72Å; R331-D354 PolarHBondContact NE-OD1 3.02Å; R331-D354 IonicContact NE-OD2 3.12Å; R331-D354 PolarHBondContact NE-OD2 2.87Å; R331-D354 IonicContact NH1-OD1 2.7Å; R331-D354 PolarHBondContact NH1-OD1 3.32Å; R331-D354 IonicContact NH1-OD2 3.35Å; R331-D354 IonicContact NH2-OD1 3.59Å; R331-D354 PolarHBondContact NH2-OD1 3.11Å; R331-D354 IonicContact NH2-OD2 3.66Å; R331-D354 PolarHBondContact NH2-OD2 3.34Å
332C82.2Confident83.2Confident35 Ų3554.6 Ų54.624%0.23627%0.274CS..Hα-helixtrans-62.3-41.2171.6-60.80000111.7M328 E329 F330 A334 A335 Y336 L356M328-C332 PolarHBondContact O-N 3.32Å; M328-C332 PolarHBondContact O-SG 2.88Å; E329-C332 WeakPolarHBondContact O-CB 3.47Å; E329-C332 PolarHBondContact O-N 2.97Å; F330-C332 VanDerWaalsContact C-N 3.34Å; C332-A334 VanDerWaalsContact C-N 3.32Å; C332-A334 PolarHBondContact O-N 3.49Å; C332-A335 PolarHBondContact O-N 3.15Å; C332-Y336 PolarHBondContact O-N 3.17Å; C332-L356 HydrophobicContact CB-CD2 4.35Å; C332-L356 WeakPolarHBondContact SG-CD2 3.25Å
333I84.3Confident83Confident12 Ų1259.3 Ų59.36%0.06229%0.292CS..Hα-helixtrans-63.4-39.1173.7-65.5167.2000110.7L303 I307 L322 E329 F330 R331 Y336 L337L303-I333 HydrophobicContact CD2-CD1 4.13Å; L303-I333 HydrophobicContact CD2-CG2 4.26Å; I307-I333 HydrophobicContact CD1-CG2 3.93Å; L322-I333 HydrophobicContact CD1-CB 4.45Å; L322-I333 HydrophobicContact CD1-CG2 3.93Å; E329-I333 WeakPolarHBondContact O-CG1 3.48Å; E329-I333 PolarHBondContact O-N 2.88Å; F330-I333 HydrophobicContact CD1-CD1 4.22Å; F330-I333 PolarHBondContact O-N 3.15Å; R331-I333 VanDerWaalsContact C-N 3.34Å; R331-I333 PolarHBondContact O-N 3.36Å; I333-Y336 WeakPolarHBondContact O-CB 3.37Å; I333-Y336 PolarHBondContact O-N 3.19Å; I333-L337 HydrophobicContact CG2-CD1 4.34Å; I333-L337 HydrophobicContact CG2-CG 4.46Å; I333-L337 WeakPolarHBondContact O-CG 3.27Å; I333-L337 PolarHBondContact O-N 3Å
334A84.7Confident82.9Confident0 Ų058.4 Ų58.40%029%0.286CS..Hα-helixtrans-61.2-44.7174.400000112.3L322 F330 R331 C332 Y336 L337 Y338 L350L322-A334 HydrophobicContact CB-CB 3.7Å; F330-A334 PolarHBondContact O-N 3.44Å; R331-A334 WeakPolarHBondContact O-CB 3.4Å; R331-A334 PolarHBondContact O-N 3.29Å; R331-A334 VanDerWaalsContact O-N 3.17Å; C332-A334 VanDerWaalsContact C-N 3.32Å; C332-A334 PolarHBondContact O-N 3.49Å; A334-Y336 VanDerWaalsContact C-N 3.28Å; A334-Y336 PolarHBondContact O-N 3.3Å; A334-L337 PolarHBondContact O-N 2.99Å; A334-Y338 VanDerWaalsContact O-CD2 3.26Å; A334-Y338 WeakPolarHBondContact O-CD2 3.21Å; A334-Y338 PolarHBondContact O-N 3.28Å; A334-L350 HydrophobicContact CB-CD2 3.89Å
335A82.9Confident82.7Confident3 Ų352.3 Ų52.33%0.02527%0.27CS..Hα-helixtrans-59.3-40.6174.800000111.8R331 C332 Y338 K339 S347 L350R331-A335 PolarHBondContact O-N 2.88Å; C332-A335 PolarHBondContact O-N 3.15Å; A335-Y338 PolarHBondContact O-N 3.4Å; A335-K339 WeakPolarHBondContact O-CB 3.36Å; A335-K339 PolarHBondContact O-N 3.42Å; A335-S347 PolarHBondContact O-OG 2.96Å; A335-L350 HydrophobicContact CB-CD2 4Å
336Y84.4Confident82.6Confident71 Ų7154.4 Ų54.428%0.27828%0.28SS..Hα-helixtrans-65.2-42.5175.2175.9-101.4000113R304 D308 C332 I333 A334 K339 G340R304-Y336 VanDerWaalsContact CZ-CD1 3.46Å; R304-Y336 VanDerWaalsContact CZ-CZ 3.48Å; R304-Y336 VanDerWaalsContact NH1-CE1 3.33Å; R304-Y336 VanDerWaalsContact NH2-CE1 3.26Å; R304-Y336 PolarHBondContact NH2-OH 3.12Å; R304-Y336 VanDerWaalsContact NH2-OH 3.15Å; D308-Y336 WeakPolarHBondContact OD1-CE1 3.27Å; D308-Y336 PolarHBondContact OD1-OH 3.42Å; C332-Y336 PolarHBondContact O-N 3.17Å; I333-Y336 WeakPolarHBondContact O-CB 3.37Å; I333-Y336 PolarHBondContact O-N 3.19Å; A334-Y336 VanDerWaalsContact C-N 3.28Å; A334-Y336 PolarHBondContact O-N 3.3Å; Y336-K339 WeakPolarHBondContact O-CB 3.49Å; Y336-K339 PolarHBondContact O-N 3.01Å; Y336-G340 PolarHBondContact O-N 3.26Å
337L84.2Confident82.6Confident8 Ų845.4 Ų45.44%0.04224%0.237CC..Hα-helixtrans-61.8-44.2175.8-74.7173.2000111.6I307 F313 L318 A319 L322 I333 A334 K339 G340 N341I307-L337 HydrophobicContact CD1-CD1 4.38Å; I307-L337 HydrophobicContact CD1-CD2 4.21Å; I307-L337 HydrophobicContact CG2-CD2 3.85Å; F313-L337 HydrophobicContact CE2-CD2 3.97Å; F313-L337 HydrophobicContact CZ-CD2 3.83Å; L318-L337 HydrophobicContact CB-CD1 4.41Å; L318-L337 HydrophobicContact CD2-CD1 3.86Å; L318-L337 HydrophobicContact CG-CD1 4.03Å; A319-L337 HydrophobicContact CB-CB 4.05Å; A319-L337 HydrophobicContact CB-CD1 4.29Å; L322-L337 HydrophobicContact CD1-CD1 3.82Å; I333-L337 HydrophobicContact CG2-CD1 4.34Å; I333-L337 HydrophobicContact CG2-CG 4.46Å; I333-L337 WeakPolarHBondContact O-CG 3.27Å; I333-L337 PolarHBondContact O-N 3Å; A334-L337 PolarHBondContact O-N 2.99Å; L337-K339 VanDerWaalsContact C-N 3.32Å; L337-K339 PolarHBondContact O-N 2.9Å; L337-G340 PolarHBondContact O-N 3.2Å; L337-N341 PolarHBondContact O-N 3.16Å
338Y85.1Confident82.4Confident6 Ų643 Ų432%0.02423%0.225CC..Hα-helixtrans-62.7-38.5174.9-74.2-48.6000112.5A319 Q320 A334 A335 N341 N342 W343A319-Y338 HydrophobicContact CB-CD1 3.96Å; A319-Y338 HydrophobicContact CB-CD2 4.21Å; A319-Y338 HydrophobicContact CB-CE1 3.59Å; A319-Y338 HydrophobicContact CB-CE2 3.87Å; A319-Y338 HydrophobicContact CB-CG 4.26Å; Q320-Y338 WeakPolarHBondContact CG-OH 3.33Å; A334-Y338 VanDerWaalsContact O-CD2 3.26Å; A334-Y338 WeakPolarHBondContact O-CD2 3.21Å; A334-Y338 PolarHBondContact O-N 3.28Å; A335-Y338 PolarHBondContact O-N 3.4Å; Y338-N341 PolarHBondContact O-N 3.3Å; Y338-N342 PolarHBondContact O-N 2.85Å; Y338-W343 HydrophobicContact CD1-CB 4.29Å; Y338-W343 HydrophobicContact CD1-CD2 4.46Å; Y338-W343 AromaticContact CD1-CE3 3.58Å; Y338-W343 HydrophobicContact CD1-CE3 3.58Å; Y338-W343 HydrophobicContact CD1-CZ3 4.31Å; Y338-W343 AromaticContact CE1-CE3 3.6Å; Y338-W343 HydrophobicContact CE1-CE3 3.6Å; Y338-W343 AromaticContact CE1-CZ3 3.91Å; Y338-W343 HydrophobicContact CE1-CZ3 3.91Å; Y338-W343 PolarHBondContact O-N 3.38Å
339K83.1Confident82.4Confident42 Ų4244.4 Ų44.418%0.18323%0.231CC..Hα-helixtrans-58.3-49171.2153.3173.2171.91790111.2A335 Y336 L337 N341 N342 W344 H363 E366A335-K339 WeakPolarHBondContact O-CB 3.36Å; A335-K339 PolarHBondContact O-N 3.42Å; Y336-K339 WeakPolarHBondContact O-CB 3.49Å; Y336-K339 PolarHBondContact O-N 3.01Å; L337-K339 VanDerWaalsContact C-N 3.32Å; L337-K339 PolarHBondContact O-N 2.9Å; K339-N341 PolarHBondContact O-N 3.24Å; K339-N342 PolarHBondContact O-N 3.15Å; K339-W344 HydrophobicContact CB-CE3 4.48Å; K339-W344 HydrophobicContact CB-CH2 4.48Å; K339-W344 HydrophobicContact CB-CZ3 3.96Å; K339-W344 HydrophobicContact CD-CH2 4.38Å; K339-W344 HydrophobicContact CD-CZ3 4.05Å; K339-W344 HydrophobicContact CG-CH2 3.78Å; K339-W344 HydrophobicContact CG-CZ3 3.6Å; K339-H363 WeakPolarHBondContact CD-ND1 3.49Å; K339-E366 WeakPolarHBondContact CD-OE2 3.23Å; K339-E366 WeakPolarHBondContact CE-OE2 3.41Å; K339-E366 IonicContact NZ-OE1 3.69Å; K339-E366 PolarHBondContact NZ-OE1 3.08Å; K339-E366 IonicContact NZ-OE2 3.45Å; K339-E366 PolarHBondContact NZ-OE2 3.19Å
340G80.5Confident82.4Confident57 Ų5740.6 Ų40.659%0.58821%0.213SC*.Hα-helixtrans-58.2-32.7-179.800000113.7Y336 L337Y336-G340 PolarHBondContact O-N 3.26Å; L337-G340 PolarHBondContact O-N 3.2Å
341N81.3Confident82.2Confident58 Ų5840.7 Ų40.731%0.3121%0.213SC..THydrogen-bonded Turntrans-91.112178.2-107.921.5000114.6N315 I316 L337 Y338 K339 W343N315-N341 PolarHBondContact ND2-OD1 2.87Å; I316-N341 WeakPolarHBondContact CG1-ND2 3.35Å; L337-N341 PolarHBondContact O-N 3.16Å; Y338-N341 PolarHBondContact O-N 3.3Å; K339-N341 PolarHBondContact O-N 3.24Å; N341-W343 VanDerWaalsContact C-N 3.27Å; N341-W343 PolarHBondContact O-N 2.85Å
342N81.6Confident82.2Confident111 Ų11140.7 Ų40.759%0.59422%0.215SC*.THydrogen-bonded Turntrans62.421.4-177-61-59.4000115.6Y338 K339 W344Y338-N342 PolarHBondContact O-N 2.85Å; K339-N342 PolarHBondContact O-N 3.15Å; N342-W344 VanDerWaalsContact C-N 3.3Å; N342-W344 PolarHBondContact O-N 3.26Å
343W80.4Confident82.1Confident99 Ų9944.7 Ų44.738%0.37523%0.228SC..  trans-90.566.5174.6-72.84000111.2I316 Y338 N341 A345 Q346 S347I316-W343 HydrophobicContact CB-CH2 4.23Å; I316-W343 HydrophobicContact CB-CZ3 4.32Å; I316-W343 HydrophobicContact CD1-CH2 3.5Å; I316-W343 HydrophobicContact CD1-CZ2 3.67Å; I316-W343 HydrophobicContact CD1-CZ3 4.27Å; I316-W343 HydrophobicContact CG1-CH2 3.64Å; I316-W343 HydrophobicContact CG1-CZ2 4.14Å; I316-W343 HydrophobicContact CG1-CZ3 3.89Å; I316-W343 HydrophobicContact CG2-CH2 3.55Å; I316-W343 HydrophobicContact CG2-CZ3 3.61Å; Y338-W343 HydrophobicContact CD1-CB 4.29Å; Y338-W343 HydrophobicContact CD1-CD2 4.46Å; Y338-W343 AromaticContact CD1-CE3 3.58Å; Y338-W343 HydrophobicContact CD1-CE3 3.58Å; Y338-W343 HydrophobicContact CD1-CZ3 4.31Å; Y338-W343 AromaticContact CE1-CE3 3.6Å; Y338-W343 HydrophobicContact CE1-CE3 3.6Å; Y338-W343 AromaticContact CE1-CZ3 3.91Å; Y338-W343 HydrophobicContact CE1-CZ3 3.91Å; Y338-W343 PolarHBondContact O-N 3.38Å; N341-W343 VanDerWaalsContact C-N 3.27Å; N341-W343 PolarHBondContact O-N 2.85Å; W343-A345 PolarHBondContact O-N 3.29Å; W343-Q346 PolarHBondContact O-N 3.27Å; W343-S347 PolarHBondContact O-N 3.01Å; W343-S347 VanDerWaalsContact O-N 3.16Å
344W82.6Confident81.8Confident46 Ų4644.8 Ų44.817%0.17423%0.229CC..Hα-helixtrans-62.9-38.7-172.2-57.6108.6000114K339 N342 V348 H363 E366 S367 L372K339-W344 HydrophobicContact CB-CE3 4.48Å; K339-W344 HydrophobicContact CB-CH2 4.48Å; K339-W344 HydrophobicContact CB-CZ3 3.96Å; K339-W344 HydrophobicContact CD-CH2 4.38Å; K339-W344 HydrophobicContact CD-CZ3 4.05Å; K339-W344 HydrophobicContact CG-CH2 3.78Å; K339-W344 HydrophobicContact CG-CZ3 3.6Å; N342-W344 VanDerWaalsContact C-N 3.3Å; N342-W344 PolarHBondContact O-N 3.26Å; W344-V348 WeakPolarHBondContact O-CB 3.25Å; W344-V348 WeakPolarHBondContact O-CG2 3.29Å; W344-V348 PolarHBondContact O-N 3.04Å; W344-H363 HydrophobicContact CE3-CB 4.44Å; W344-H363 VanDerWaalsContact CE3-O 3.26Å; W344-H363 HydrophobicContact CZ3-CB 4.49Å; W344-H363 WeakPolarHBondContact CZ3-O 3.5Å; W344-E366 HydrophobicContact CH2-CB 3.87Å; W344-E366 HydrophobicContact CZ3-CB 3.96Å; W344-S367 VanDerWaalsContact CD2-CB 3.44Å; W344-L372 HydrophobicContact CB-CD1 3.77Å
345A81Confident81.5Confident53 Ų5349.8 Ų49.844%0.43825%0.252SS..Hα-helixtrans-63.2-46.8-178.700000112.1W343 V348 E349 L372W343-A345 PolarHBondContact O-N 3.29Å; A345-V348 PolarHBondContact O-N 3.2Å; A345-E349 WeakPolarHBondContact O-CB 3.36Å; A345-E349 WeakPolarHBondContact O-CG 3.47Å; A345-E349 PolarHBondContact O-N 3.23Å; A345-L372 HydrophobicContact CB-CD1 4.28Å
346Q80.6Confident81.4Confident89 Ų8952 Ų5242%0.41626%0.263SS..Hα-helixtrans-69.8-40.1179.8-70-179.8-8.300112W343 V348 E349 L350W343-Q346 PolarHBondContact O-N 3.27Å; Q346-V348 VanDerWaalsContact C-N 3.33Å; Q346-V348 PolarHBondContact O-N 2.79Å; Q346-E349 PolarHBondContact O-N 3.09Å; Q346-L350 WeakPolarHBondContact O-CB 3.29Å; Q346-L350 PolarHBondContact O-N 3.37Å
347S80.4Confident81.2Confident0 Ų050.8 Ų50.80%026%0.258CS..Hα-helixtrans-56.9-48.1174.3-179.20000111.2A335 W343 L350 C351 H363A335-S347 PolarHBondContact O-OG 2.96Å; W343-S347 PolarHBondContact O-N 3.01Å; W343-S347 VanDerWaalsContact O-N 3.16Å; S347-L350 WeakPolarHBondContact O-CB 3.35Å; S347-L350 PolarHBondContact O-N 3.4Å; S347-C351 PolarHBondContact O-N 3.28Å; S347-C351 PolarHBondContact O-SG 3.24Å; S347-H363 PolarHBondContact OG-CD2 3.36Å
348V80.2Confident81.1Confident5 Ų558.4 Ų58.43%0.0329%0.291CS..Hα-helixtrans-68.7-39.5179.8165.60000112.6W344 A345 Q346 L350 C351 K352 H363 L372 L376W344-V348 WeakPolarHBondContact O-CB 3.25Å; W344-V348 WeakPolarHBondContact O-CG2 3.29Å; W344-V348 PolarHBondContact O-N 3.04Å; A345-V348 PolarHBondContact O-N 3.2Å; Q346-V348 VanDerWaalsContact C-N 3.33Å; Q346-V348 PolarHBondContact O-N 2.79Å; V348-L350 VanDerWaalsContact C-N 3.29Å; V348-L350 PolarHBondContact O-N 3.36Å; V348-C351 PolarHBondContact O-N 2.88Å; V348-K352 WeakPolarHBondContact O-CG 3.33Å; V348-K352 PolarHBondContact O-N 3.03Å; V348-H363 HydrophobicContact CG2-CB 4.02Å; V348-L372 HydrophobicContact CB-CD2 3.98Å; V348-L372 HydrophobicContact CG1-CD2 3.94Å; V348-L372 HydrophobicContact CG2-CD2 3.68Å; V348-L376 HydrophobicContact CB-CD1 4.41Å; V348-L376 HydrophobicContact CG1-CD1 3.45Å; V348-L376 VanDerWaalsContact CG1-CD1 3.45Å; V348-L376 HydrophobicContact CG1-CD2 3.53Å; V348-L376 HydrophobicContact CG1-CG 3.47Å; V348-L376 VanDerWaalsContact CG1-CG 3.47Å; V348-L376 HydrophobicContact CG2-CD1 4.06Å
349E83Confident80.9Confident110 Ų11060.7 Ų60.751%0.51430%0.304SS..Hα-helixtrans-60.7-38.4173.4-78.9174.2-170.800112.3A345 Q346 K352 K353A345-E349 WeakPolarHBondContact O-CB 3.36Å; A345-E349 WeakPolarHBondContact O-CG 3.47Å; A345-E349 PolarHBondContact O-N 3.23Å; Q346-E349 PolarHBondContact O-N 3.09Å; E349-K352 WeakPolarHBondContact O-CB 3.23Å; E349-K352 PolarHBondContact O-N 3.1Å; E349-K353 WeakPolarHBondContact O-CG 3.27Å; E349-K353 PolarHBondContact O-N 3.49Å
350L80.6Confident80.8Confident2 Ų258.8 Ų58.81%0.0130%0.295CS..Hα-helixtrans-64.1-48.1175.2-15684.3000110.9E323 R331 A334 A335 Q346 S347 V348 K352 K353 D354E323-L350 HydrophobicContact CB-CD1 3.98Å; E323-L350 HydrophobicContact CG-CD1 3.51Å; R331-L350 HydrophobicContact CB-CD2 4.32Å; R331-L350 WeakPolarHBondContact O-CD2 3.26Å; A334-L350 HydrophobicContact CB-CD2 3.89Å; A335-L350 HydrophobicContact CB-CD2 4Å; Q346-L350 WeakPolarHBondContact O-CB 3.29Å; Q346-L350 PolarHBondContact O-N 3.37Å; S347-L350 WeakPolarHBondContact O-CB 3.35Å; S347-L350 PolarHBondContact O-N 3.4Å; V348-L350 VanDerWaalsContact C-N 3.29Å; V348-L350 PolarHBondContact O-N 3.36Å; L350-K352 VanDerWaalsContact C-N 3.25Å; L350-K352 PolarHBondContact O-N 3.39Å; L350-K353 WeakPolarHBondContact O-CB 3.36Å; L350-K353 PolarHBondContact O-N 3.46Å; L350-K353 VanDerWaalsContact O-N 3.09Å; L350-D354 PolarHBondContact O-N 3.36Å
351C80.1Confident80.9Confident2 Ų256.5 Ų56.51%0.01427%0.27CS..Hα-helixtrans-61-33.6176.2-61.40000112.7S347 V348 D354 H355 L356 A360S347-C351 PolarHBondContact O-N 3.28Å; S347-C351 PolarHBondContact O-SG 3.24Å; V348-C351 PolarHBondContact O-N 2.88Å; C351-D354 CarbonylContact O-C 2.97Å; C351-D354 PolarHBondContact O-N 3.24Å; C351-H355 PolarHBondContact O-N 3.44Å; C351-L356 HydrophobicContact CB-CB 4.37Å; C351-L356 PolarHBondContact O-N 3.35Å; C351-A360 HydrophobicContact CB-CB 3.67Å
352K82.4Confident81Confident45 Ų4558.7 Ų58.720%0.19628%0.278CS..Hα-helixtrans-63-46.8172.7-74.1-179176.6-169.50111.5V348 E349 L350 D354 H355 K375 L376 W379V348-K352 WeakPolarHBondContact O-CG 3.33Å; V348-K352 PolarHBondContact O-N 3.03Å; E349-K352 WeakPolarHBondContact O-CB 3.23Å; E349-K352 PolarHBondContact O-N 3.1Å; L350-K352 VanDerWaalsContact C-N 3.25Å; L350-K352 PolarHBondContact O-N 3.39Å; K352-D354 PolarHBondContact O-N 3.07Å; K352-H355 PolarHBondContact O-N 3.37Å; K352-K375 PolarHBondContact NZ-O 3.36Å; K352-L376 HydrophobicContact CD-CD2 4.37Å; K352-L376 HydrophobicContact CG-CD2 4.18Å; K352-W379 HydrophobicContact CB-CH2 4Å; K352-W379 HydrophobicContact CB-CZ2 3.67Å; K352-W379 HydrophobicContact CD-CD2 3.88Å; K352-W379 HydrophobicContact CD-CE3 4.33Å; K352-W379 HydrophobicContact CD-CG 4.01Å; K352-W379 HydrophobicContact CD-CZ2 4.49Å; K352-W379 HydrophobicContact CG-CD2 3.86Å; K352-W379 HydrophobicContact CG-CE3 3.97Å; K352-W379 HydrophobicContact CG-CH2 3.84Å; K352-W379 HydrophobicContact CG-CZ2 3.78Å; K352-W379 HydrophobicContact CG-CZ3 3.96Å
353K81.5Confident81.1Confident120 Ų12053.9 Ų53.952%0.52225%0.252SS..Hα-helixtrans-61.5-32176-67.6173.8-171.9172.20112.2E323 E349 L350E323-K353 IonicContact OE1-NZ 2.65Å; E323-K353 PolarHBondContact OE1-NZ 2.7Å; E349-K353 WeakPolarHBondContact O-CG 3.27Å; E349-K353 PolarHBondContact O-N 3.49Å; L350-K353 WeakPolarHBondContact O-CB 3.36Å; L350-K353 PolarHBondContact O-N 3.46Å; L350-K353 VanDerWaalsContact O-N 3.09Å
354D78.3Confident81.2Confident14 Ų1449.2 Ų49.28%0.07524%0.235CC..THydrogen-bonded Turntrans-90.1-2.8-178.1-77.1-44.5000115M328 R331 L350 C351 K352 L356M328-D354 HydrophobicContact CE-CB 3.56Å; M328-D354 WeakPolarHBondContact CE-OD1 3.4Å; R331-D354 IonicContact CZ-OD1 3.06Å; R331-D354 IonicContact CZ-OD2 2.58Å; R331-D354 IonicContact NE-OD1 3.72Å; R331-D354 PolarHBondContact NE-OD1 3.02Å; R331-D354 IonicContact NE-OD2 3.12Å; R331-D354 PolarHBondContact NE-OD2 2.87Å; R331-D354 IonicContact NH1-OD1 2.7Å; R331-D354 PolarHBondContact NH1-OD1 3.32Å; R331-D354 IonicContact NH1-OD2 3.35Å; R331-D354 IonicContact NH2-OD1 3.59Å; R331-D354 PolarHBondContact NH2-OD1 3.11Å; R331-D354 IonicContact NH2-OD2 3.66Å; R331-D354 PolarHBondContact NH2-OD2 3.34Å; L350-D354 PolarHBondContact O-N 3.36Å; C351-D354 CarbonylContact O-C 2.97Å; C351-D354 PolarHBondContact O-N 3.24Å; K352-D354 PolarHBondContact O-N 3.07Å; D354-L356 HydrophobicContact CB-CB 4.29Å; D354-L356 PolarHBondContact O-N 3.33Å; D354-L356 VanDerWaalsContact O-N 3.17Å
355H78Confident81.2Confident105 Ų10548.3 Ų48.349%0.48624%0.237SC..THydrogen-bonded Turntrans52.330.6-171.5-56.7-65000113.2C351 K352 Y357 E383C351-H355 PolarHBondContact O-N 3.44Å; K352-H355 PolarHBondContact O-N 3.37Å; H355-Y357 VanDerWaalsContact C-N 3.32Å; H355-Y357 HydrophobicContact CB-CE1 4.26Å; H355-Y357 HydrophobicContact CB-CE2 4.19Å; H355-Y357 PolarHBondContact ND1-OH 2.96Å; H355-Y357 WeakPolarHBondContact O-CD2 3.43Å; H355-Y357 PolarHBondContact O-N 3.42Å; H355-E383 IonicContact CE1-OE1 2.97Å; H355-E383 PolarHBondContact CE1-OE1 3.15Å; H355-E383 IonicContact ND1-OE1 3.96Å; H355-E383 IonicContact ND1-OE2 3.06Å
356L80.6Confident81.3Confident48 Ų4850 Ų5025%0.25124%0.236SC..  trans-87.474.3-179.2-154.975.7000109.9C332 C351 D354 K358 D359 A360C332-L356 HydrophobicContact CB-CD2 4.35Å; C332-L356 WeakPolarHBondContact SG-CD2 3.25Å; C351-L356 HydrophobicContact CB-CB 4.37Å; C351-L356 PolarHBondContact O-N 3.35Å; D354-L356 HydrophobicContact CB-CB 4.29Å; D354-L356 PolarHBondContact O-N 3.33Å; D354-L356 VanDerWaalsContact O-N 3.17Å; L356-K358 PolarHBondContact O-N 3.42Å; L356-D359 HydrophobicContact CD2-CB 3.69Å; L356-D359 WeakPolarHBondContact CD2-OD2 3.26Å; L356-D359 HydrophobicContact CG-CB 4.08Å; L356-A360 WeakPolarHBondContact O-CB 3.43Å; L356-A360 PolarHBondContact O-N 3.39Å; L356-A360 VanDerWaalsContact O-N 3.09Å
357Y80.8Confident81.3Confident47 Ų4746.5 Ų46.518%0.18422%0.221CC..Hα-helixtrans-66.3-35.5-166.3-56.1-54.8000114.4H355 M361 W379 F380 E383H355-Y357 VanDerWaalsContact C-N 3.32Å; H355-Y357 HydrophobicContact CB-CE1 4.26Å; H355-Y357 HydrophobicContact CB-CE2 4.19Å; H355-Y357 PolarHBondContact ND1-OH 2.96Å; H355-Y357 WeakPolarHBondContact O-CD2 3.43Å; H355-Y357 PolarHBondContact O-N 3.42Å; Y357-M361 WeakPolarHBondContact O-CG 3.41Å; Y357-M361 PolarHBondContact O-N 3.46Å; Y357-W379 AromaticContact CD1-CH2 3.85Å; Y357-W379 HydrophobicContact CD1-CH2 3.85Å; Y357-W379 AromaticContact CD1-CZ3 3.9Å; Y357-W379 HydrophobicContact CD1-CZ3 3.9Å; Y357-W379 AromaticContact CE1-CH2 3.45Å; Y357-W379 HydrophobicContact CE1-CH2 3.45Å; Y357-W379 VanDerWaalsContact CE1-CH2 3.45Å; Y357-W379 HydrophobicContact CE1-CZ2 4.45Å; Y357-W379 AromaticContact CE1-CZ3 3.82Å; Y357-W379 HydrophobicContact CE1-CZ3 3.82Å; Y357-F380 HydrophobicContact CD1-CD1 4.27Å; Y357-F380 AromaticContact CD1-CE1 3.33Å; Y357-F380 HydrophobicContact CD1-CE1 3.33Å; Y357-F380 HydrophobicContact CD1-CZ 4.01Å; Y357-F380 HydrophobicContact CE1-CD1 4.49Å; Y357-F380 AromaticContact CE1-CE1 3.94Å; Y357-F380 HydrophobicContact CE1-CE1 3.94Å; Y357-F380 AromaticContact CG-CE1 3.93Å; Y357-F380 HydrophobicContact CG-CE1 3.93Å; Y357-E383 VanDerWaalsContact CE1-OE2 3.31Å; Y357-E383 WeakPolarHBondContact CE1-OE2 3.33Å; Y357-E383 PolarHBondContact OH-OE2 3.01Å
358K80.6Confident81.3Confident167 Ų16756.8 Ų56.873%0.72626%0.26SS*.Hα-helixtrans-67.7-46.2-179.7-68.2-175.9179.8179.50111.8L356 M361 Q362L356-K358 PolarHBondContact O-N 3.42Å; K358-M361 WeakPolarHBondContact O-CB 3.48Å; K358-M361 PolarHBondContact O-N 2.8Å; K358-Q362 WeakPolarHBondContact O-CG 3.44Å; K358-Q362 PolarHBondContact O-N 2.82Å; K358-Q362 VanDerWaalsContact O-N 3.08Å
359D81.2Confident81.5Confident55 Ų5559.8 Ų59.829%0.29428%0.276SS..Hα-helixtrans-72.2-37.6-177.1-66.510000110.3L356 M361 Q362 H363L356-D359 HydrophobicContact CD2-CB 3.69Å; L356-D359 WeakPolarHBondContact CD2-OD2 3.26Å; L356-D359 HydrophobicContact CG-CB 4.08Å; D359-M361 VanDerWaalsContact C-N 3.29Å; D359-M361 PolarHBondContact O-N 2.61Å; D359-Q362 PolarHBondContact O-N 3.28Å; D359-H363 WeakPolarHBondContact O-CB 3.4Å; D359-H363 PolarHBondContact O-CD2 3.13Å; D359-H363 PolarHBondContact O-N 2.95Å; D359-H363 PolarHBondContact O-ND1 3.26Å
360A81.8Confident81.5Confident1 Ų156 Ų561%0.00826%0.264CS..Hα-helixtrans-55.6-43.3171.100000112.4C351 L356 A364 L376C351-A360 HydrophobicContact CB-CB 3.67Å; L356-A360 WeakPolarHBondContact O-CB 3.43Å; L356-A360 PolarHBondContact O-N 3.39Å; L356-A360 VanDerWaalsContact O-N 3.09Å; A360-A364 WeakPolarHBondContact O-CB 3.38Å; A360-A364 PolarHBondContact O-N 3.4Å; A360-A364 VanDerWaalsContact O-N 3.1Å; A360-L376 HydrophobicContact CB-CD2 4.32Å
361M82.6Confident81.8Confident10 Ų1061.6 Ų61.65%0.04929%0.29CS..Hα-helixtrans-65.7-43.6177.7-73174.6-15500112.2Y357 K358 D359 A364 A365 F380 C388 A391 C392 T395Y357-M361 WeakPolarHBondContact O-CG 3.41Å; Y357-M361 PolarHBondContact O-N 3.46Å; K358-M361 WeakPolarHBondContact O-CB 3.48Å; K358-M361 PolarHBondContact O-N 2.8Å; D359-M361 VanDerWaalsContact C-N 3.29Å; D359-M361 PolarHBondContact O-N 2.61Å; M361-A364 PolarHBondContact O-N 3.16Å; M361-A365 PolarHBondContact O-N 2.87Å; M361-F380 HydrophobicContact CE-CE1 3.94Å; M361-F380 HydrophobicContact CE-CE2 4.16Å; M361-F380 HydrophobicContact CE-CZ 3.59Å; M361-F380 HydrophobicContact CG-CE2 4.43Å; M361-F380 HydrophobicContact CG-CZ 4.34Å; M361-C388 HydrophobicContact CE-CB 3.55Å; M361-C388 VanDerWaalsContact CE-O 3.24Å; M361-C388 WeakPolarHBondContact CE-O 3.5Å; M361-A391 HydrophobicContact CE-CB 4.03Å; M361-A391 HydrophobicContact SD-CB 3.64Å; M361-C392 VanDerWaalsContact CE-SG 3.57Å; M361-C392 WeakPolarHBondContact CG-SG 3.3Å; M361-T395 HydrophobicContact CB-CG2 4.38Å
362Q83.3Confident82Confident103 Ų10362.2 Ų62.248%0.48129%0.293SS..Hα-helixtrans-65.9-45.8178.5-70.5179.1-2.800111.6K358 D359 A364 A365 E366K358-Q362 WeakPolarHBondContact O-CG 3.44Å; K358-Q362 PolarHBondContact O-N 2.82Å; K358-Q362 VanDerWaalsContact O-N 3.08Å; D359-Q362 PolarHBondContact O-N 3.28Å; Q362-A364 PolarHBondContact O-N 3.12Å; Q362-A365 PolarHBondContact O-N 3.21Å; Q362-E366 WeakPolarHBondContact O-CB 3.35Å; Q362-E366 VanDerWaalsContact O-CG 3.27Å; Q362-E366 WeakPolarHBondContact O-CG 3.47Å; Q362-E366 PolarHBondContact O-N 3.2Å
363H82.6Confident82.1Confident11 Ų1160.3 Ų60.35%0.05129%0.286CS..Hα-helixtrans-61.3-34.4177.7-62.7-11.5000112.1K339 W344 S347 V348 D359 E366 S367K339-H363 WeakPolarHBondContact CD-ND1 3.49Å; W344-H363 HydrophobicContact CE3-CB 4.44Å; W344-H363 VanDerWaalsContact CE3-O 3.26Å; W344-H363 HydrophobicContact CZ3-CB 4.49Å; W344-H363 WeakPolarHBondContact CZ3-O 3.5Å; S347-H363 PolarHBondContact OG-CD2 3.36Å; V348-H363 HydrophobicContact CG2-CB 4.02Å; D359-H363 WeakPolarHBondContact O-CB 3.4Å; D359-H363 PolarHBondContact O-CD2 3.13Å; D359-H363 PolarHBondContact O-N 2.95Å; D359-H363 PolarHBondContact O-ND1 3.26Å; H363-E366 IonicContact ND1-OE2 3.13Å; H363-S367 WeakPolarHBondContact O-CB 3.38Å; H363-S367 PolarHBondContact O-N 3.29Å; H363-S367 VanDerWaalsContact O-N 3.09Å
364A82.3Confident82.2Confident1 Ų156.4 Ų56.41%0.00827%0.269CS..Hα-helixtrans-74-36.4175.500000113.8A360 M361 Q362 S367 L372 L376 L399A360-A364 WeakPolarHBondContact O-CB 3.38Å; A360-A364 PolarHBondContact O-N 3.4Å; A360-A364 VanDerWaalsContact O-N 3.1Å; M361-A364 PolarHBondContact O-N 3.16Å; Q362-A364 PolarHBondContact O-N 3.12Å; A364-S367 PolarHBondContact O-OG 3.41Å; A364-L372 HydrophobicContact CB-CD2 4.27Å; A364-L376 HydrophobicContact CB-CD1 3.23Å; A364-L399 WeakPolarHBondContact O-CD2 3.15Å
365A83.9Confident82.5Confident27 Ų2761.7 Ų61.722%0.22329%0.291CS..Hα-helixtrans-66.8-4117500000111.2M361 Q362 T395M361-A365 PolarHBondContact O-N 2.87Å; Q362-A365 PolarHBondContact O-N 3.21Å; A365-T395 WeakPolarHBondContact CB-O 3.34Å
366E83.1Confident82.8Confident87 Ų8756.9 Ų56.941%0.40727%0.269SS..Hα-helixtrans-72.7-29.9-179.5-69.2168.7152.400113.4K339 W344 Q362 H363 R368K339-E366 WeakPolarHBondContact CD-OE2 3.23Å; K339-E366 WeakPolarHBondContact CE-OE2 3.41Å; K339-E366 IonicContact NZ-OE1 3.69Å; K339-E366 PolarHBondContact NZ-OE1 3.08Å; K339-E366 IonicContact NZ-OE2 3.45Å; K339-E366 PolarHBondContact NZ-OE2 3.19Å; W344-E366 HydrophobicContact CH2-CB 3.87Å; W344-E366 HydrophobicContact CZ3-CB 3.96Å; Q362-E366 WeakPolarHBondContact O-CB 3.35Å; Q362-E366 VanDerWaalsContact O-CG 3.27Å; Q362-E366 WeakPolarHBondContact O-CG 3.47Å; Q362-E366 PolarHBondContact O-N 3.2Å; H363-E366 IonicContact ND1-OE2 3.13Å; E366-R368 PolarHBondContact O-N 3.3Å
367S79.2Confident83Confident17 Ų1754.7 Ų54.712%0.11926%0.258CS..THydrogen-bonded Turntrans-64.3-22.2179.672.40000113.6W344 H363 A364 D369W344-S367 VanDerWaalsContact CD2-CB 3.44Å; H363-S367 WeakPolarHBondContact O-CB 3.38Å; H363-S367 PolarHBondContact O-N 3.29Å; H363-S367 VanDerWaalsContact O-N 3.09Å; A364-S367 PolarHBondContact O-OG 3.41Å; S367-D369 PolarHBondContact O-N 3.17Å; S367-D369 PolarHBondContact OG-N 2.99Å
368R81.1Confident83.1Confident215 Ų21557.2 Ų57.281%0.81127%0.271SS*.  trans56.912.1-173.4-61.4-177.1178.8179.5-0.2114.3E366E366-R368 PolarHBondContact O-N 3.3Å
369D84.9Confident83.3Confident68 Ų6851 Ų5136%0.36424%0.243SC..  trans-92.3108.8178.8-175.14.5000110.6S367 E371 L372 A373S367-D369 PolarHBondContact O-N 3.17Å; S367-D369 PolarHBondContact OG-N 2.99Å; D369-E371 VanDerWaalsContact C-N 3.28Å; D369-E371 PolarHBondContact O-N 3.09Å; D369-E371 PolarHBondContact OD1-N 3.43Å; D369-E371 VanDerWaalsContact OD1-N 3.08Å; D369-L372 HydrophobicContact CB-CB 4Å; D369-L372 PolarHBondContact O-N 3.35Å; D369-A373 PolarHBondContact O-N 3.17Å
370A83.4Confident83.5Confident32 Ų3248.4 Ų48.426%0.26423%0.229SC..Hα-helixtrans-59.7-38.6179.700000111.7L372 A373 Q374 L399A370-L372 VanDerWaalsContact C-N 3.32Å; A370-L372 PolarHBondContact O-N 3.12Å; A370-A373 PolarHBondContact O-N 3.22Å; A370-Q374 WeakPolarHBondContact O-CG 3.27Å; A370-Q374 PolarHBondContact O-N 3.44Å; A370-L399 WeakPolarHBondContact CB-O 3.25Å
371E85.9Confident83.5Confident118 Ų11849 Ų4955%0.55123%0.232SC*.Hα-helixtrans-67.2-36.3-177.7-63.3-172.3-178.200112D369 Q374 K375D369-E371 VanDerWaalsContact C-N 3.28Å; D369-E371 PolarHBondContact O-N 3.09Å; D369-E371 PolarHBondContact OD1-N 3.43Å; D369-E371 VanDerWaalsContact OD1-N 3.08Å; E371-Q374 PolarHBondContact O-N 3.02Å; E371-K375 VanDerWaalsContact O-CG 3.3Å; E371-K375 WeakPolarHBondContact O-CG 3.48Å; E371-K375 PolarHBondContact O-N 2.89Å
372L84.5Confident83.6Confident16 Ų1654.9 Ų54.98%0.08426%0.26CS..Hα-helixtrans-69.6-43.8179.5-159158.6000110.9W344 A345 V348 A364 D369 A370 Q374 K375 L376W344-L372 HydrophobicContact CB-CD1 3.77Å; A345-L372 HydrophobicContact CB-CD1 4.28Å; V348-L372 HydrophobicContact CB-CD2 3.98Å; V348-L372 HydrophobicContact CG1-CD2 3.94Å; V348-L372 HydrophobicContact CG2-CD2 3.68Å; A364-L372 HydrophobicContact CB-CD2 4.27Å; D369-L372 HydrophobicContact CB-CB 4Å; D369-L372 PolarHBondContact O-N 3.35Å; A370-L372 VanDerWaalsContact C-N 3.32Å; A370-L372 PolarHBondContact O-N 3.12Å; L372-Q374 VanDerWaalsContact C-N 3.27Å; L372-Q374 PolarHBondContact O-N 3.39Å; L372-K375 PolarHBondContact O-N 3.01Å; L372-L376 HydrophobicContact CD2-CD1 3.88Å; L372-L376 HydrophobicContact CD2-CG 4.5Å; L372-L376 PolarHBondContact O-N 3.2Å
373A83.7Confident83.5Confident5 Ų553 Ų534%0.04125%0.251CS..Hα-helixtrans-59.5-38.9173.500000111.9D369 A370 L376 L377 C396 L399 L400D369-A373 PolarHBondContact O-N 3.17Å; A370-A373 PolarHBondContact O-N 3.22Å; A373-L376 WeakPolarHBondContact O-CB 3.42Å; A373-L376 PolarHBondContact O-N 3.41Å; A373-L377 WeakPolarHBondContact O-CB 3.42Å; A373-L377 PolarHBondContact O-N 3.21Å; A373-C396 HydrophobicContact CB-CB 4.39Å; A373-L399 HydrophobicContact CB-CB 4.4Å; A373-L399 HydrophobicContact CB-CD2 4.17Å; A373-L400 HydrophobicContact CB-CD2 4.05Å
374Q84.1Confident83.1Confident37 Ų3755 Ų5517%0.17327%0.274CS..Hα-helixtrans-66.3-47.2175.7-67177.32.100112.5A370 E371 L372 L376 L377 Q378 L400 M404A370-Q374 WeakPolarHBondContact O-CG 3.27Å; A370-Q374 PolarHBondContact O-N 3.44Å; E371-Q374 PolarHBondContact O-N 3.02Å; L372-Q374 VanDerWaalsContact C-N 3.27Å; L372-Q374 PolarHBondContact O-N 3.39Å; Q374-L376 PolarHBondContact O-N 3.26Å; Q374-L377 WeakPolarHBondContact O-CB 3.24Å; Q374-L377 PolarHBondContact O-N 3.24Å; Q374-L377 VanDerWaalsContact O-N 3.15Å; Q374-Q378 PolarHBondContact O-N 3.27Å; Q374-L400 HydrophobicContact CG-CD2 4.41Å; Q374-M404 HydrophobicContact CB-CE 4.41Å; Q374-M404 HydrophobicContact CB-SD 3.86Å; Q374-M404 HydrophobicContact CG-CE 3.7Å; Q374-M404 HydrophobicContact CG-SD 3.31Å; Q374-M404 WeakPolarHBondContact CG-SD 3.47Å
375K85.1Confident82.9Confident125 Ų12559.9 Ų59.954%0.54330%0.295SS..Hα-helixtrans-61.7-29.7176-73.2169.9-173.2165.90112.5K352 E371 L372 W379K352-K375 PolarHBondContact NZ-O 3.36Å; E371-K375 VanDerWaalsContact O-CG 3.3Å; E371-K375 WeakPolarHBondContact O-CG 3.48Å; E371-K375 PolarHBondContact O-N 2.89Å; L372-K375 PolarHBondContact O-N 3.01Å; K375-W379 WeakPolarHBondContact O-CB 3.41Å; K375-W379 PolarHBondContact O-N 3.5Å
376L85.1Confident82.6Confident4 Ų466.4 Ų66.42%0.02131%0.314CS..Hα-helixtrans-71.5-48.1172-95.2168000111.9V348 K352 A360 A364 L372 A373 Q374 Q378 W379 F380V348-L376 HydrophobicContact CB-CD1 4.41Å; V348-L376 HydrophobicContact CG1-CD1 3.45Å; V348-L376 VanDerWaalsContact CG1-CD1 3.45Å; V348-L376 HydrophobicContact CG1-CD2 3.53Å; V348-L376 HydrophobicContact CG1-CG 3.47Å; V348-L376 VanDerWaalsContact CG1-CG 3.47Å; V348-L376 HydrophobicContact CG2-CD1 4.06Å; K352-L376 HydrophobicContact CD-CD2 4.37Å; K352-L376 HydrophobicContact CG-CD2 4.18Å; A360-L376 HydrophobicContact CB-CD2 4.32Å; A364-L376 HydrophobicContact CB-CD1 3.23Å; L372-L376 HydrophobicContact CD2-CD1 3.88Å; L372-L376 HydrophobicContact CD2-CG 4.5Å; L372-L376 PolarHBondContact O-N 3.2Å; A373-L376 WeakPolarHBondContact O-CB 3.42Å; A373-L376 PolarHBondContact O-N 3.41Å; Q374-L376 PolarHBondContact O-N 3.26Å; L376-Q378 VanDerWaalsContact C-N 3.34Å; L376-Q378 PolarHBondContact O-N 3.33Å; L376-W379 HydrophobicContact CD2-CE3 4.32Å; L376-W379 WeakPolarHBondContact O-CB 3.46Å; L376-W379 PolarHBondContact O-N 2.9Å; L376-W379 VanDerWaalsContact O-N 3.16Å; L376-F380 HydrophobicContact CB-CE2 4.48Å; L376-F380 HydrophobicContact CD2-CE2 4.01Å; L376-F380 WeakPolarHBondContact O-CD2 3.36Å; L376-F380 PolarHBondContact O-N 3.33Å
377L83.2Confident82.4Confident2 Ų270.1 Ų70.11%0.0133%0.331CS..Hα-helixtrans-56.3-50.5178.5-16175.5000110.4A373 Q374 W379 F380 L381 F389 C392 L393 L400 M404 V405 L408A373-L377 WeakPolarHBondContact O-CB 3.42Å; A373-L377 PolarHBondContact O-N 3.21Å; Q374-L377 WeakPolarHBondContact O-CB 3.24Å; Q374-L377 PolarHBondContact O-N 3.24Å; Q374-L377 VanDerWaalsContact O-N 3.15Å; L377-W379 VanDerWaalsContact C-N 3.29Å; L377-W379 PolarHBondContact O-N 3.34Å; L377-F380 WeakPolarHBondContact O-CB 3.47Å; L377-F380 PolarHBondContact O-N 3.03Å; L377-F380 VanDerWaalsContact O-N 3.1Å; L377-L381 HydrophobicContact CG-CD1 4.11Å; L377-L381 WeakPolarHBondContact O-CD1 3.45Å; L377-L381 PolarHBondContact O-N 3.06Å; L377-L381 VanDerWaalsContact O-N 3.15Å; L377-F389 HydrophobicContact CD1-CD2 3.46Å; L377-F389 VanDerWaalsContact CD1-CD2 3.46Å; L377-F389 HydrophobicContact CD1-CE2 3.59Å; L377-F389 HydrophobicContact CD1-CG 4.48Å; L377-F389 HydrophobicContact CD2-CD2 4.45Å; L377-F389 HydrophobicContact CD2-CE2 3.78Å; L377-F389 HydrophobicContact CG-CD2 3.78Å; L377-F389 HydrophobicContact CG-CE2 3.6Å; L377-C392 HydrophobicContact CD1-CB 3.73Å; L377-L393 HydrophobicContact CD1-CD2 4.05Å; L377-L393 HydrophobicContact CD2-CD2 4.27Å; L377-L400 HydrophobicContact CD2-CD2 4.44Å; L377-M404 HydrophobicContact CD2-CE 3.92Å; L377-V405 HydrophobicContact CD2-CG2 4.3Å; L377-L408 HydrophobicContact CD2-CD1 3.94Å
378Q84.5Confident82.3Confident100 Ų10070.2 Ų70.247%0.46733%0.332SS..Hα-helixtrans-56.1-43177.5-174.5176.8-10.800112.3Q374 L376 L381 E382Q374-Q378 PolarHBondContact O-N 3.27Å; L376-Q378 VanDerWaalsContact C-N 3.34Å; L376-Q378 PolarHBondContact O-N 3.33Å; Q378-L381 WeakPolarHBondContact O-CB 3.44Å; Q378-L381 PolarHBondContact O-N 3.5Å; Q378-E382 PolarHBondContact NE2-OE1 2.98Å; Q378-E382 WeakPolarHBondContact O-CG 3.32Å; Q378-E382 PolarHBondContact O-N 3.16Å
379W84.8Confident82.3Confident37 Ų3760 Ų6014%0.1429%0.294CS..Hα-helixtrans-63.9-40176.8172.678.3000113K352 Y357 K375 L376 L377 L381 E382 E383K352-W379 HydrophobicContact CB-CH2 4Å; K352-W379 HydrophobicContact CB-CZ2 3.67Å; K352-W379 HydrophobicContact CD-CD2 3.88Å; K352-W379 HydrophobicContact CD-CE3 4.33Å; K352-W379 HydrophobicContact CD-CG 4.01Å; K352-W379 HydrophobicContact CD-CZ2 4.49Å; K352-W379 HydrophobicContact CG-CD2 3.86Å; K352-W379 HydrophobicContact CG-CE3 3.97Å; K352-W379 HydrophobicContact CG-CH2 3.84Å; K352-W379 HydrophobicContact CG-CZ2 3.78Å; K352-W379 HydrophobicContact CG-CZ3 3.96Å; Y357-W379 AromaticContact CD1-CH2 3.85Å; Y357-W379 HydrophobicContact CD1-CH2 3.85Å; Y357-W379 AromaticContact CD1-CZ3 3.9Å; Y357-W379 HydrophobicContact CD1-CZ3 3.9Å; Y357-W379 AromaticContact CE1-CH2 3.45Å; Y357-W379 HydrophobicContact CE1-CH2 3.45Å; Y357-W379 VanDerWaalsContact CE1-CH2 3.45Å; Y357-W379 HydrophobicContact CE1-CZ2 4.45Å; Y357-W379 AromaticContact CE1-CZ3 3.82Å; Y357-W379 HydrophobicContact CE1-CZ3 3.82Å; K375-W379 WeakPolarHBondContact O-CB 3.41Å; K375-W379 PolarHBondContact O-N 3.5Å; L376-W379 HydrophobicContact CD2-CE3 4.32Å; L376-W379 WeakPolarHBondContact O-CB 3.46Å; L376-W379 PolarHBondContact O-N 2.9Å; L376-W379 VanDerWaalsContact O-N 3.16Å; L377-W379 VanDerWaalsContact C-N 3.29Å; L377-W379 PolarHBondContact O-N 3.34Å; W379-L381 VanDerWaalsContact C-N 3.27Å; W379-L381 PolarHBondContact O-N 2.81Å; W379-E382 PolarHBondContact O-N 3.06Å; W379-E382 VanDerWaalsContact O-N 3.17Å; W379-E383 HydrophobicContact CD2-CG 4.36Å; W379-E383 VanDerWaalsContact CE2-CD 3.49Å; W379-E383 HydrophobicContact CZ2-CG 4.11Å; W379-E383 WeakPolarHBondContact CZ2-OE1 3.39Å; W379-E383 WeakPolarHBondContact CZ2-OE2 3.38Å; W379-E383 PolarHBondContact O-N 3.44Å
380F84.3Confident82Confident0 Ų057.6 Ų57.60%028%0.282CS..Hα-helixtrans-62-34.4174.8-78.2-67.8000113Y357 M361 L376 L377 G384 K385 C388 C392Y357-F380 HydrophobicContact CD1-CD1 4.27Å; Y357-F380 AromaticContact CD1-CE1 3.33Å; Y357-F380 HydrophobicContact CD1-CE1 3.33Å; Y357-F380 HydrophobicContact CD1-CZ 4.01Å; Y357-F380 HydrophobicContact CE1-CD1 4.49Å; Y357-F380 AromaticContact CE1-CE1 3.94Å; Y357-F380 HydrophobicContact CE1-CE1 3.94Å; Y357-F380 AromaticContact CG-CE1 3.93Å; Y357-F380 HydrophobicContact CG-CE1 3.93Å; M361-F380 HydrophobicContact CE-CE1 3.94Å; M361-F380 HydrophobicContact CE-CE2 4.16Å; M361-F380 HydrophobicContact CE-CZ 3.59Å; M361-F380 HydrophobicContact CG-CE2 4.43Å; M361-F380 HydrophobicContact CG-CZ 4.34Å; L376-F380 HydrophobicContact CB-CE2 4.48Å; L376-F380 HydrophobicContact CD2-CE2 4.01Å; L376-F380 WeakPolarHBondContact O-CD2 3.36Å; L376-F380 PolarHBondContact O-N 3.33Å; L377-F380 WeakPolarHBondContact O-CB 3.47Å; L377-F380 PolarHBondContact O-N 3.03Å; L377-F380 VanDerWaalsContact O-N 3.1Å; F380-G384 PolarHBondContact O-N 3.37Å; F380-K385 PolarHBondContact O-N 2.88Å; F380-C388 HydrophobicContact CD1-CB 3.33Å; F380-C388 HydrophobicContact CE1-CB 3.37Å; F380-C388 HydrophobicContact CG-CB 4.12Å; F380-C388 HydrophobicContact CZ-CB 4.25Å; F380-C392 WeakPolarHBondContact CD2-SG 3.36Å; F380-C392 WeakPolarHBondContact CE2-SG 3.24Å
381L82.6Confident81.9Confident13 Ų1357.9 Ų57.97%0.06829%0.285CS..Hα-helixtrans-70.1-39.2173.9-78111.2000112L377 Q378 W379 G384 F389 H412 L414L377-L381 HydrophobicContact CG-CD1 4.11Å; L377-L381 WeakPolarHBondContact O-CD1 3.45Å; L377-L381 PolarHBondContact O-N 3.06Å; L377-L381 VanDerWaalsContact O-N 3.15Å; Q378-L381 WeakPolarHBondContact O-CB 3.44Å; Q378-L381 PolarHBondContact O-N 3.5Å; W379-L381 VanDerWaalsContact C-N 3.27Å; W379-L381 PolarHBondContact O-N 2.81Å; L381-G384 PolarHBondContact O-N 3.2Å; L381-G384 VanDerWaalsContact O-N 3.17Å; L381-F389 HydrophobicContact CD1-CD2 3.44Å; L381-F389 VanDerWaalsContact CD1-CD2 3.44Å; L381-F389 HydrophobicContact CD1-CE2 3.45Å; L381-F389 VanDerWaalsContact CD1-CE2 3.45Å; L381-F389 HydrophobicContact CD2-CE2 4.45Å; L381-F389 HydrophobicContact CG-CD2 4.01Å; L381-F389 HydrophobicContact CG-CE2 4.23Å; L381-H412 HydrophobicContact CD2-CB 3.48Å; L381-H412 VanDerWaalsContact CD2-CB 3.48Å; L381-H412 WeakPolarHBondContact CD2-CD2 3.43Å; L381-L414 HydrophobicContact CD2-CD1 3.84Å; L381-L414 HydrophobicContact CG-CD1 4.29Å
382E83.6Confident81.5Confident134 Ų13452.6 Ų52.663%0.62626%0.261SS*.Hα-helixtrans-65.5-38.9175.5-71.5170.2-171.100112.2Q378 W379 G384Q378-E382 PolarHBondContact NE2-OE1 2.98Å; Q378-E382 WeakPolarHBondContact O-CG 3.32Å; Q378-E382 PolarHBondContact O-N 3.16Å; W379-E382 PolarHBondContact O-N 3.06Å; W379-E382 VanDerWaalsContact O-N 3.17Å; E382-G384 PolarHBondContact O-N 3.37Å
383E80.8Confident81.3Confident65 Ų6551.9 Ų51.930%0.30426%0.257SS..THydrogen-bonded Turntrans-72.9-12172.8-72-156.2155.700113.6H355 Y357 W379 K385H355-E383 IonicContact CE1-OE1 2.97Å; H355-E383 PolarHBondContact CE1-OE1 3.15Å; H355-E383 IonicContact ND1-OE1 3.96Å; H355-E383 IonicContact ND1-OE2 3.06Å; Y357-E383 VanDerWaalsContact CE1-OE2 3.31Å; Y357-E383 WeakPolarHBondContact CE1-OE2 3.33Å; Y357-E383 PolarHBondContact OH-OE2 3.01Å; W379-E383 HydrophobicContact CD2-CG 4.36Å; W379-E383 VanDerWaalsContact CE2-CD 3.49Å; W379-E383 HydrophobicContact CZ2-CG 4.11Å; W379-E383 WeakPolarHBondContact CZ2-OE1 3.39Å; W379-E383 WeakPolarHBondContact CZ2-OE2 3.38Å; W379-E383 PolarHBondContact O-N 3.44Å; E383-K385 VanDerWaalsContact C-N 3.32Å; E383-K385 HydrophobicContact CB-CG 4.42Å; E383-K385 PolarHBondContact O-N 3.48Å
384G74.8Confident81.3Confident51 Ų5157.7 Ų57.753%0.52628%0.282SS..THydrogen-bonded Turntrans74.215179.100000115.1F380 L381 E382 R386F380-G384 PolarHBondContact O-N 3.37Å; L381-G384 PolarHBondContact O-N 3.2Å; L381-G384 VanDerWaalsContact O-N 3.17Å; E382-G384 PolarHBondContact O-N 3.37Å; G384-R386 PolarHBondContact O-N 3.17Å
385K78Confident81Confident105 Ų10559 Ų5946%0.45729%0.293SS..  trans-85.187.4-179.7-68.9-71.2-174.2174.90111.4F380 E383 E387 C388 F389F380-K385 PolarHBondContact O-N 2.88Å; E383-K385 VanDerWaalsContact C-N 3.32Å; E383-K385 HydrophobicContact CB-CG 4.42Å; E383-K385 PolarHBondContact O-N 3.48Å; K385-E387 VanDerWaalsContact C-N 3.34Å; K385-E387 PolarHBondContact O-N 3.04Å; K385-C388 HydrophobicContact CB-CB 4.07Å; K385-C388 PolarHBondContact O-N 3.08Å; K385-F389 PolarHBondContact O-N 3.13Å
386R77.8Confident80.8Confident163 Ų16353.3 Ų53.362%0.61527%0.268SS*.Hα-helixtrans-62.2-33.4-176.4-57.9-172.9-178.2173.30.2114.7G384 A390 L414 L417G384-R386 PolarHBondContact O-N 3.17Å; R386-A390 PolarHBondContact O-N 2.87Å; R386-L414 HydrophobicContact CB-CD2 4.18Å; R386-L414 HydrophobicContact CG-CD2 3.61Å; R386-L417 HydrophobicContact CB-CD1 3.89Å
387E78.7Confident80.4Confident166 Ų16655 Ų5578%0.77628%0.275SS*.Hα-helixtrans-72.5-39.6179.7-63.5175.3-177.200111.8K385 F389 A390 A391K385-E387 VanDerWaalsContact C-N 3.34Å; K385-E387 PolarHBondContact O-N 3.04Å; E387-F389 VanDerWaalsContact C-N 3.3Å; E387-F389 PolarHBondContact O-N 3.17Å; E387-A390 PolarHBondContact O-N 3.42Å; E387-A391 PolarHBondContact O-N 3.28Å; E387-A391 VanDerWaalsContact O-N 3.08Å
388C77.6Confident80.1Confident19 Ų1962 Ų6213%0.12831%0.312CS..Hα-helixtrans-65.9-35.5176.5-630000111.5M361 F380 K385 A391 C392M361-C388 HydrophobicContact CE-CB 3.55Å; M361-C388 VanDerWaalsContact CE-O 3.24Å; M361-C388 WeakPolarHBondContact CE-O 3.5Å; F380-C388 HydrophobicContact CD1-CB 3.33Å; F380-C388 HydrophobicContact CE1-CB 3.37Å; F380-C388 HydrophobicContact CG-CB 4.12Å; F380-C388 HydrophobicContact CZ-CB 4.25Å; K385-C388 HydrophobicContact CB-CB 4.07Å; K385-C388 PolarHBondContact O-N 3.08Å; C388-A391 PolarHBondContact O-N 3Å; C388-C392 WeakPolarHBondContact O-CB 3.21Å; C388-C392 PolarHBondContact O-N 3.4Å; C388-C392 PolarHBondContact O-SG 3.31Å
389F80.3Confident80Confident1 Ų158.6 Ų58.60%0.00430%0.297CS..Hα-helixtrans-58.3-49.3173.4175.9-101.5000111.9L377 L381 K385 E387 A391 C392 L393 A409 L414 A418L377-F389 HydrophobicContact CD1-CD2 3.46Å; L377-F389 VanDerWaalsContact CD1-CD2 3.46Å; L377-F389 HydrophobicContact CD1-CE2 3.59Å; L377-F389 HydrophobicContact CD1-CG 4.48Å; L377-F389 HydrophobicContact CD2-CD2 4.45Å; L377-F389 HydrophobicContact CD2-CE2 3.78Å; L377-F389 HydrophobicContact CG-CD2 3.78Å; L377-F389 HydrophobicContact CG-CE2 3.6Å; L381-F389 HydrophobicContact CD1-CD2 3.44Å; L381-F389 VanDerWaalsContact CD1-CD2 3.44Å; L381-F389 HydrophobicContact CD1-CE2 3.45Å; L381-F389 VanDerWaalsContact CD1-CE2 3.45Å; L381-F389 HydrophobicContact CD2-CE2 4.45Å; L381-F389 HydrophobicContact CG-CD2 4.01Å; L381-F389 HydrophobicContact CG-CE2 4.23Å; K385-F389 PolarHBondContact O-N 3.13Å; E387-F389 VanDerWaalsContact C-N 3.3Å; E387-F389 PolarHBondContact O-N 3.17Å; F389-A391 PolarHBondContact O-N 3.37Å; F389-C392 WeakPolarHBondContact O-CB 3.35Å; F389-C392 PolarHBondContact O-N 2.65Å; F389-L393 HydrophobicContact CD1-CD1 4.16Å; F389-L393 HydrophobicContact CE1-CD1 3.64Å; F389-L393 HydrophobicContact CE1-CG 4.4Å; F389-L393 HydrophobicContact CZ-CD1 3.9Å; F389-L393 HydrophobicContact CZ-CD2 4.41Å; F389-L393 HydrophobicContact CZ-CG 4.38Å; F389-L393 WeakPolarHBondContact O-CG 3.4Å; F389-L393 PolarHBondContact O-N 3.46Å; F389-L393 VanDerWaalsContact O-N 3.14Å; F389-A409 HydrophobicContact CZ-CB 4.31Å; F389-L414 HydrophobicContact CD1-CB 4.44Å; F389-L414 HydrophobicContact CD1-CD1 4.17Å; F389-L414 HydrophobicContact CE1-CB 4.22Å; F389-L414 HydrophobicContact CE1-CD1 4.48Å; F389-L414 HydrophobicContact CG-CD1 4.35Å; F389-A418 HydrophobicContact CE1-CB 4.21Å
390A80.1Confident79.8Confident16 Ų1657.3 Ų57.313%0.13229%0.293CS..Hα-helixtrans-62.2-42.8177.300000111.9R386 E387 C392 L393 F394 L417R386-A390 PolarHBondContact O-N 2.87Å; E387-A390 PolarHBondContact O-N 3.42Å; A390-C392 PolarHBondContact O-N 3.42Å; A390-L393 PolarHBondContact O-N 3.06Å; A390-F394 WeakPolarHBondContact O-CD2 3.49Å; A390-F394 PolarHBondContact O-N 3.09Å; A390-L417 HydrophobicContact CB-CB 4.48Å; A390-L417 HydrophobicContact CB-CD2 3.88Å
391A81.1Confident79.6Confident39 Ų3964.6 Ų64.632%0.32232%0.32SS..Hα-helixtrans-61.9-42.2176.800000112.5M361 E387 C388 F389 L393 F394 T395M361-A391 HydrophobicContact CE-CB 4.03Å; M361-A391 HydrophobicContact SD-CB 3.64Å; E387-A391 PolarHBondContact O-N 3.28Å; E387-A391 VanDerWaalsContact O-N 3.08Å; C388-A391 PolarHBondContact O-N 3Å; F389-A391 PolarHBondContact O-N 3.37Å; A391-L393 VanDerWaalsContact C-N 3.32Å; A391-L393 PolarHBondContact O-N 2.93Å; A391-F394 PolarHBondContact O-N 2.83Å; A391-T395 WeakPolarHBondContact O-CG2 3.24Å; A391-T395 PolarHBondContact O-N 3.06Å; A391-T395 PolarHBondContact O-OG1 2.98Å
392C77.2Confident79.5Confident6 Ų665.7 Ų65.74%0.04133%0.328CS..Hα-helixtrans-57.7-41.9174.1-76.10000113M361 L377 F380 C388 F389 A390 F394 T395 C396M361-C392 VanDerWaalsContact CE-SG 3.57Å; M361-C392 WeakPolarHBondContact CG-SG 3.3Å; L377-C392 HydrophobicContact CD1-CB 3.73Å; F380-C392 WeakPolarHBondContact CD2-SG 3.36Å; F380-C392 WeakPolarHBondContact CE2-SG 3.24Å; C388-C392 WeakPolarHBondContact O-CB 3.21Å; C388-C392 PolarHBondContact O-N 3.4Å; C388-C392 PolarHBondContact O-SG 3.31Å; F389-C392 WeakPolarHBondContact O-CB 3.35Å; F389-C392 PolarHBondContact O-N 2.65Å; A390-C392 PolarHBondContact O-N 3.42Å; C392-F394 PolarHBondContact O-N 2.62Å; C392-T395 WeakPolarHBondContact CA-OG1 3.49Å; C392-T395 PolarHBondContact O-N 3.45Å; C392-T395 PolarHBondContact O-OG1 2.86Å; C392-C396 WeakPolarHBondContact O-CB 3.45Å; C392-C396 PolarHBondContact O-N 2.89Å
393L80.8Confident79.4Confident2 Ų265.6 Ų65.61%0.0133%0.332CS..Hα-helixtrans-62.7-34.5179.5-67.2179.8000111.7L377 F389 A390 A391 Y397 L400 V405 A418 Y421L377-L393 HydrophobicContact CD1-CD2 4.05Å; L377-L393 HydrophobicContact CD2-CD2 4.27Å; F389-L393 HydrophobicContact CD1-CD1 4.16Å; F389-L393 HydrophobicContact CE1-CD1 3.64Å; F389-L393 HydrophobicContact CE1-CG 4.4Å; F389-L393 HydrophobicContact CZ-CD1 3.9Å; F389-L393 HydrophobicContact CZ-CD2 4.41Å; F389-L393 HydrophobicContact CZ-CG 4.38Å; F389-L393 WeakPolarHBondContact O-CG 3.4Å; F389-L393 PolarHBondContact O-N 3.46Å; F389-L393 VanDerWaalsContact O-N 3.14Å; A390-L393 PolarHBondContact O-N 3.06Å; A391-L393 VanDerWaalsContact C-N 3.32Å; A391-L393 PolarHBondContact O-N 2.93Å; L393-Y397 WeakPolarHBondContact O-CA 3.46Å; L393-L400 HydrophobicContact CD2-CD1 3.77Å; L393-V405 HydrophobicContact CD1-CG1 4.09Å; L393-V405 HydrophobicContact CD2-CB 4.34Å; L393-V405 HydrophobicContact CD2-CG1 3.52Å; L393-V405 HydrophobicContact CD2-CG2 3.8Å; L393-V405 HydrophobicContact CG-CG1 4.47Å; L393-A418 HydrophobicContact CD1-CB 3.87Å; L393-Y421 HydrophobicContact CB-CD2 4.08Å; L393-Y421 HydrophobicContact CB-CG 4.34Å; L393-Y421 WeakPolarHBondContact O-CD2 3.47Å
394F82.4Confident79.4Confident126 Ų12664.1 Ų64.155%0.55333%0.325SS*.Hα-helixtrans-76.5-45175.6-76.5-68.4000112.8A390 A391 C392 P420A390-F394 WeakPolarHBondContact O-CD2 3.49Å; A390-F394 PolarHBondContact O-N 3.09Å; A391-F394 PolarHBondContact O-N 2.83Å; C392-F394 PolarHBondContact O-N 2.62Å; F394-P420 HydrophobicContact CE1-CB 4.45Å; F394-P420 HydrophobicContact CE2-CB 4.48Å; F394-P420 HydrophobicContact CZ-CB 3.68Å
395T78.4Confident79.7Confident65 Ų6561.7 Ų61.740%0.39930%0.3SS..Hα-helixtrans-70.7-36.9-177550000112.5M361 A365 A391 C392M361-T395 HydrophobicContact CB-CG2 4.38Å; A365-T395 WeakPolarHBondContact CB-O 3.34Å; A391-T395 WeakPolarHBondContact O-CG2 3.24Å; A391-T395 PolarHBondContact O-N 3.06Å; A391-T395 PolarHBondContact O-OG1 2.98Å; C392-T395 WeakPolarHBondContact CA-OG1 3.49Å; C392-T395 PolarHBondContact O-N 3.45Å; C392-T395 PolarHBondContact O-OG1 2.86Å
396C80.1Confident79.9Confident5 Ų561 Ų613%0.03430%0.301CS..THydrogen-bonded Turntrans-102.227.2-177.3-58.90000112.6A373 C392 D398 L399 L400A373-C396 HydrophobicContact CB-CB 4.39Å; C392-C396 WeakPolarHBondContact O-CB 3.45Å; C392-C396 PolarHBondContact O-N 2.89Å; C396-D398 VanDerWaalsContact C-N 3.28Å; C396-D398 PolarHBondContact O-N 2.78Å; C396-L399 PolarHBondContact O-N 3.28Å; C396-L399 VanDerWaalsContact O-N 3.09Å; C396-L400 HydrophobicContact CB-CD1 3.9Å; C396-L400 HydrophobicContact CB-CG 4.07Å; C396-L400 WeakPolarHBondContact O-CG 3.46Å; C396-L400 PolarHBondContact O-N 3.08Å
397Y77.8Confident80.1Confident40 Ų4057.2 Ų57.216%0.15729%0.291CS..THydrogen-bonded Turntrans-52.3-43.4-172.3179.9-93.4000113.3L393 L399 Y421 Q424 V425 E428L393-Y397 WeakPolarHBondContact O-CA 3.46Å; Y397-L399 VanDerWaalsContact C-N 3.34Å; Y397-L399 PolarHBondContact O-N 2.95Å; Y397-Y421 AromaticContact CD2-CD2 3.46Å; Y397-Y421 HydrophobicContact CD2-CD2 3.46Å; Y397-Y421 VanDerWaalsContact CD2-CD2 3.46Å; Y397-Y421 AromaticContact CD2-CE2 3.35Å; Y397-Y421 HydrophobicContact CD2-CE2 3.35Å; Y397-Y421 AromaticContact CE2-CD2 3.85Å; Y397-Y421 HydrophobicContact CE2-CD2 3.85Å; Y397-Y421 AromaticContact CE2-CE2 3.76Å; Y397-Y421 HydrophobicContact CE2-CE2 3.76Å; Y397-Y421 HydrophobicContact CG-CE2 4.16Å; Y397-Q424 HydrophobicContact CE2-CB 4.07Å; Y397-Q424 HydrophobicContact CE2-CG 3.88Å; Y397-V425 HydrophobicContact CE2-CG2 3.7Å; Y397-V425 VanDerWaalsContact OH-CA 3.3Å; Y397-V425 WeakPolarHBondContact OH-CA 3.38Å; Y397-V425 WeakPolarHBondContact OH-CG2 3.47Å; Y397-V425 PolarHBondContact OH-N 3.39Å; Y397-E428 WeakPolarHBondContact CE1-OE2 3.42Å; Y397-E428 PolarHBondContact OH-OE1 3.46Å; Y397-E428 PolarHBondContact OH-OE2 3.42Å
398D77.4Confident80.2Confident149 Ų14950.4 Ų50.480%0.79726%0.259SS*.THydrogen-bonded Turntrans-73.4-22.6-176.4-63.5-33.4000114.1C396C396-D398 VanDerWaalsContact C-N 3.28Å; C396-D398 PolarHBondContact O-N 2.78Å
399L80.7Confident80.5Confident29 Ų2949.5 Ų49.515%0.15225%0.253CS..THydrogen-bonded Turntrans-94.1-25-173.5-81.267.3000112.7A364 A370 A373 C396 Y397A364-L399 WeakPolarHBondContact O-CD2 3.15Å; A370-L399 WeakPolarHBondContact CB-O 3.25Å; A373-L399 HydrophobicContact CB-CB 4.4Å; A373-L399 HydrophobicContact CB-CD2 4.17Å; C396-L399 PolarHBondContact O-N 3.28Å; C396-L399 VanDerWaalsContact O-N 3.09Å; Y397-L399 VanDerWaalsContact C-N 3.34Å; Y397-L399 PolarHBondContact O-N 2.95Å
400L81.9Confident80.6Confident9 Ų958.4 Ų58.45%0.04729%0.287CS..  trans-86.2132.7-169.7-68.5171.2000111.6A373 Q374 L377 L393 C396 M404 V405 Y421A373-L400 HydrophobicContact CB-CD2 4.05Å; Q374-L400 HydrophobicContact CG-CD2 4.41Å; L377-L400 HydrophobicContact CD2-CD2 4.44Å; L393-L400 HydrophobicContact CD2-CD1 3.77Å; C396-L400 HydrophobicContact CB-CD1 3.9Å; C396-L400 HydrophobicContact CB-CG 4.07Å; C396-L400 WeakPolarHBondContact O-CG 3.46Å; C396-L400 PolarHBondContact O-N 3.08Å; L400-M404 HydrophobicContact CD2-CE 4.22Å; L400-V405 HydrophobicContact CB-CG2 4.07Å; L400-Y421 PolarHBondContact O-OH 3.31Å
401R79.1Confident80.7Confident154 Ų15465.3 Ų65.358%0.58131%0.31SS*.  trans-80.5125.1174.9-77.3-171.7-95.8159.1-6110.4D403 M404 V405R401-D403 VanDerWaalsContact C-N 3.29Å; R401-D403 PolarHBondContact O-N 2.96Å; R401-M404 PolarHBondContact O-N 2.66Å; R401-V405 PolarHBondContact O-N 3.14Å
402P80.9Confident80.6Confident35 Ų3567.8 Ų67.823%0.22731%0.314CS..Hα-helixtrans-55.3-40.1-177.8-26.934.7000114.1M404 V405 L406 F422 V425P402-M404 VanDerWaalsContact C-N 3.32Å; P402-M404 PolarHBondContact O-N 3.38Å; P402-V405 PolarHBondContact O-N 3.11Å; P402-L406 WeakPolarHBondContact O-CB 3.45Å; P402-L406 PolarHBondContact O-N 3.36Å; P402-F422 HydrophobicContact CB-CE1 4.36Å; P402-V425 HydrophobicContact CB-CG1 4.42Å; P402-V425 HydrophobicContact CG-CG1 3.88Å; P402-V425 HydrophobicContact CG-CG2 4.48Å
403D80.8Confident80.8Confident133 Ų13374.2 Ų74.271%0.71135%0.348SS*.Hα-helixtrans-59.2-43.7-178.1-49.9-22.4000112R401 L406 E407R401-D403 VanDerWaalsContact C-N 3.29Å; R401-D403 PolarHBondContact O-N 2.96Å; D403-L406 PolarHBondContact O-N 2.97Å; D403-E407 PolarHBondContact O-N 2.66Å; D403-E407 VanDerWaalsContact O-N 3.07Å
404M81.1Confident80.7Confident33 Ų3374.6 Ų74.616%0.16335%0.35CS..Hα-helixtrans-73.1-40.1-179.1-176.6-142.761.100111.4Q374 L377 L400 R401 P402 L406 E407 L408Q374-M404 HydrophobicContact CB-CE 4.41Å; Q374-M404 HydrophobicContact CB-SD 3.86Å; Q374-M404 HydrophobicContact CG-CE 3.7Å; Q374-M404 HydrophobicContact CG-SD 3.31Å; Q374-M404 WeakPolarHBondContact CG-SD 3.47Å; L377-M404 HydrophobicContact CD2-CE 3.92Å; L400-M404 HydrophobicContact CD2-CE 4.22Å; R401-M404 PolarHBondContact O-N 2.66Å; P402-M404 VanDerWaalsContact C-N 3.32Å; P402-M404 PolarHBondContact O-N 3.38Å; M404-L406 PolarHBondContact O-N 3.22Å; M404-E407 PolarHBondContact O-N 2.83Å; M404-L408 HydrophobicContact CE-CD1 3.94Å; M404-L408 HydrophobicContact CG-CD1 4.14Å; M404-L408 WeakPolarHBondContact O-CG 3.26Å; M404-L408 PolarHBondContact O-N 3.44Å; M404-L408 HydrophobicContact SD-CD1 4.11Å
405V82.2Confident80.4Confident0 Ų070.9 Ų70.90%034%0.338CS..Hα-helixtrans-59.9-39175.21740000110.2L377 L393 L400 R401 P402 A409 Y421 F422L377-V405 HydrophobicContact CD2-CG2 4.3Å; L393-V405 HydrophobicContact CD1-CG1 4.09Å; L393-V405 HydrophobicContact CD2-CB 4.34Å; L393-V405 HydrophobicContact CD2-CG1 3.52Å; L393-V405 HydrophobicContact CD2-CG2 3.8Å; L393-V405 HydrophobicContact CG-CG1 4.47Å; L400-V405 HydrophobicContact CB-CG2 4.07Å; R401-V405 PolarHBondContact O-N 3.14Å; P402-V405 PolarHBondContact O-N 3.11Å; V405-A409 WeakPolarHBondContact O-CB 3.46Å; V405-A409 PolarHBondContact O-N 3.25Å; V405-Y421 HydrophobicContact CB-CE1 4.41Å; V405-Y421 HydrophobicContact CG1-CD1 4.27Å; V405-Y421 HydrophobicContact CG1-CE1 4.36Å; V405-Y421 HydrophobicContact CG2-CE1 4.39Å; V405-F422 HydrophobicContact CB-CZ 4.24Å; V405-F422 HydrophobicContact CG1-CE2 4.34Å; V405-F422 HydrophobicContact CG1-CZ 3.88Å
406L80.8Confident80.4Confident90 Ų9074.6 Ų74.647%0.47136%0.355SS..Hα-helixtrans-67-44.5178.4-17267.6000111.6P402 D403 M404 L408 A409 W410 F422P402-L406 WeakPolarHBondContact O-CB 3.45Å; P402-L406 PolarHBondContact O-N 3.36Å; D403-L406 PolarHBondContact O-N 2.97Å; M404-L406 PolarHBondContact O-N 3.22Å; L406-L408 PolarHBondContact O-N 2.66Å; L406-A409 PolarHBondContact O-N 2.96Å; L406-W410 VanDerWaalsContact O-CB 3.22Å; L406-W410 WeakPolarHBondContact O-CB 3.42Å; L406-W410 PolarHBondContact O-N 3.28Å; L406-F422 HydrophobicContact CB-CE1 4.07Å; L406-F422 HydrophobicContact CB-CZ 3.64Å; L406-F422 HydrophobicContact CD1-CE1 4.31Å; L406-F422 HydrophobicContact CD1-CE2 3.91Å; L406-F422 HydrophobicContact CD1-CZ 3.72Å; L406-F422 HydrophobicContact CG-CZ 4.29Å
407E82.3Confident80.3Confident85 Ų8577.3 Ų77.340%0.39737%0.369SS..Hα-helixtrans-58.7-47.4176.1-175.2-175.6173.700111.6D403 M404 R411D403-E407 PolarHBondContact O-N 2.66Å; D403-E407 VanDerWaalsContact O-N 3.07Å; M404-E407 PolarHBondContact O-N 2.83Å; E407-R411 WeakPolarHBondContact O-CB 3.26Å; E407-R411 WeakPolarHBondContact O-CG 3.36Å; E407-R411 PolarHBondContact O-N 3.5Å; E407-R411 IonicContact OE1-CZ 2.9Å; E407-R411 IonicContact OE1-NE 3.88Å; E407-R411 IonicContact OE1-NH1 2.78Å; E407-R411 PolarHBondContact OE1-NH1 3.28Å; E407-R411 IonicContact OE1-NH2 2.64Å; E407-R411 PolarHBondContact OE1-NH2 3.05Å
408L81.8Confident80.4Confident23 Ų2375.4 Ų75.412%0.1236%0.362CS..Hα-helixtrans-68.5-43.5179.8-68.2173.3000112.1L377 M404 L406 W410 R411 H412L377-L408 HydrophobicContact CD2-CD1 3.94Å; M404-L408 HydrophobicContact CE-CD1 3.94Å; M404-L408 HydrophobicContact CG-CD1 4.14Å; M404-L408 WeakPolarHBondContact O-CG 3.26Å; M404-L408 PolarHBondContact O-N 3.44Å; M404-L408 HydrophobicContact SD-CD1 4.11Å; L406-L408 PolarHBondContact O-N 2.66Å; L408-W410 VanDerWaalsContact C-N 3.32Å; L408-W410 PolarHBondContact O-N 3.29Å; L408-R411 PolarHBondContact O-N 3.05Å; L408-H412 PolarHBondContact O-CD2 3Å; L408-H412 PolarHBondContact O-N 3.37Å
409A84Confident80.6Confident0 Ų072.4 Ų72.40%034%0.344CS..Hα-helixtrans-64.1-38.2177.800000111.8F389 V405 L406 N413 L414 A418F389-A409 HydrophobicContact CZ-CB 4.31Å; V405-A409 WeakPolarHBondContact O-CB 3.46Å; V405-A409 PolarHBondContact O-N 3.25Å; L406-A409 PolarHBondContact O-N 2.96Å; A409-N413 PolarHBondContact O-N 3.42Å; A409-N413 VanDerWaalsContact O-N 3.17Å; A409-L414 PolarHBondContact O-N 3.27Å; A409-A418 HydrophobicContact CB-CB 3.94Å
410W82.8Confident80.7Confident188 Ų18873.8 Ų73.871%0.71235%0.354SS*.Hα-helixtrans-70.2-45.5177.6-174.552.4000112.1L406 L408 H412 N413L406-W410 VanDerWaalsContact O-CB 3.22Å; L406-W410 WeakPolarHBondContact O-CB 3.42Å; L406-W410 PolarHBondContact O-N 3.28Å; L408-W410 VanDerWaalsContact C-N 3.32Å; L408-W410 PolarHBondContact O-N 3.29Å; W410-H412 VanDerWaalsContact C-N 3.26Å; W410-H412 PolarHBondContact O-N 3.48Å; W410-N413 PolarHBondContact O-N 3.48Å
411R82.2Confident80.7Confident161 Ų16173.6 Ų73.661%0.60835%0.353SS*.Hα-helixtrans-59.8-34.7178.7-79.5-177.7173.4153.711.3113.6E407 L408E407-R411 WeakPolarHBondContact O-CB 3.26Å; E407-R411 WeakPolarHBondContact O-CG 3.36Å; E407-R411 PolarHBondContact O-N 3.5Å; E407-R411 IonicContact OE1-CZ 2.9Å; E407-R411 IonicContact OE1-NE 3.88Å; E407-R411 IonicContact OE1-NH1 2.78Å; E407-R411 PolarHBondContact OE1-NH1 3.28Å; E407-R411 IonicContact OE1-NH2 2.64Å; E407-R411 PolarHBondContact OE1-NH2 3.05Å; L408-R411 PolarHBondContact O-N 3.05Å
412H78.1Confident80.9Confident90 Ų9067.5 Ų67.542%0.41733%0.331SS..THydrogen-bonded Turntrans-103.69.1-176.2-68.7-94.3000114.2L381 L408 W410 L414L381-H412 HydrophobicContact CD2-CB 3.48Å; L381-H412 VanDerWaalsContact CD2-CB 3.48Å; L381-H412 WeakPolarHBondContact CD2-CD2 3.43Å; L408-H412 PolarHBondContact O-CD2 3Å; L408-H412 PolarHBondContact O-N 3.37Å; W410-H412 VanDerWaalsContact C-N 3.26Å; W410-H412 PolarHBondContact O-N 3.48Å; H412-L414 VanDerWaalsContact C-N 3.34Å; H412-L414 HydrophobicContact CB-CD1 4.21Å; H412-L414 HydrophobicContact CB-CG 4.25Å; H412-L414 PolarHBondContact O-N 2.67Å
413N80.7Confident81Confident141 Ų14170.9 Ų70.975%0.75435%0.346SS*.THydrogen-bonded Turntrans55.741.6-178-62.1-41.8000113.9A409 W410A409-N413 PolarHBondContact O-N 3.42Å; A409-N413 VanDerWaalsContact O-N 3.17Å; W410-N413 PolarHBondContact O-N 3.48Å
414L78.5Confident81.1Confident11 Ų1168 Ų686%0.05833%0.328CS..  trans-111.520.8179.4-60.3176.7000113L381 R386 F389 A409 H412 D416 L417 A418L381-L414 HydrophobicContact CD2-CD1 3.84Å; L381-L414 HydrophobicContact CG-CD1 4.29Å; R386-L414 HydrophobicContact CB-CD2 4.18Å; R386-L414 HydrophobicContact CG-CD2 3.61Å; F389-L414 HydrophobicContact CD1-CB 4.44Å; F389-L414 HydrophobicContact CD1-CD1 4.17Å; F389-L414 HydrophobicContact CE1-CB 4.22Å; F389-L414 HydrophobicContact CE1-CD1 4.48Å; F389-L414 HydrophobicContact CG-CD1 4.35Å; A409-L414 PolarHBondContact O-N 3.27Å; H412-L414 VanDerWaalsContact C-N 3.34Å; H412-L414 HydrophobicContact CB-CD1 4.21Å; H412-L414 HydrophobicContact CB-CG 4.25Å; H412-L414 PolarHBondContact O-N 2.67Å; L414-D416 VanDerWaalsContact C-N 3.27Å; L414-D416 PolarHBondContact O-N 2.64Å; L414-L417 HydrophobicContact CD2-CD1 3.94Å; L414-L417 PolarHBondContact O-N 2.87Å; L414-L417 VanDerWaalsContact O-N 3.16Å; L414-A418 PolarHBondContact O-N 3.38Å
415V77.9Confident81.2Confident48 Ų4867.2 Ų67.229%0.29133%0.325SS..Hα-helixtrans-56.5-42.5-176.4-176.60000111.2L417 A418 M419V415-L417 VanDerWaalsContact C-N 3.27Å; V415-L417 PolarHBondContact O-N 3.23Å; V415-A418 PolarHBondContact O-N 3.47Å; V415-M419 HydrophobicContact CG1-CG 4.48Å; V415-M419 HydrophobicContact CG1-SD 4.22Å; V415-M419 WeakPolarHBondContact O-CG 3.49Å; V415-M419 PolarHBondContact O-N 3.25Å
416D77.8Confident81.2Confident142 Ų14273.1 Ų73.176%0.75935%0.354SS*.Hα-helixtrans-59.4-35.3-179-58.6-29000113.3L414L414-D416 VanDerWaalsContact C-N 3.27Å; L414-D416 PolarHBondContact O-N 2.64Å
417L76.9Confident81.3Confident63 Ų6377.3 Ų77.333%0.3336%0.364SS..Hα-helixtrans-77.9-25.6177.5-80.7145000112.7R386 A390 L414 V415R386-L417 HydrophobicContact CB-CD1 3.89Å; A390-L417 HydrophobicContact CB-CB 4.48Å; A390-L417 HydrophobicContact CB-CD2 3.88Å; L414-L417 HydrophobicContact CD2-CD1 3.94Å; L414-L417 PolarHBondContact O-N 2.87Å; L414-L417 VanDerWaalsContact O-N 3.16Å; V415-L417 VanDerWaalsContact C-N 3.27Å; V415-L417 PolarHBondContact O-N 3.23Å
418A80.6Confident81.4Confident0 Ų076 Ų760%036%0.357CS..Hα-helixtrans-88.6-16.1178.200000113.3F389 L393 A409 L414 V415 P420 Y421 F422F389-A418 HydrophobicContact CE1-CB 4.21Å; L393-A418 HydrophobicContact CD1-CB 3.87Å; A409-A418 HydrophobicContact CB-CB 3.94Å; L414-A418 PolarHBondContact O-N 3.38Å; V415-A418 PolarHBondContact O-N 3.47Å; A418-P420 VanDerWaalsContact C-CD 3.48Å; A418-Y421 WeakPolarHBondContact O-CB 3.47Å; A418-Y421 PolarHBondContact O-N 3.17Å; A418-Y421 VanDerWaalsContact O-N 3.08Å; A418-F422 HydrophobicContact CB-CD2 4.14Å; A418-F422 HydrophobicContact CB-CE2 3.7Å; A418-F422 VanDerWaalsContact O-CD2 3.24Å; A418-F422 WeakPolarHBondContact O-CD2 3.41Å; A418-F422 PolarHBondContact O-N 3.04Å
419M80.9Confident81.4Confident85 Ų8582.2 Ų82.242%0.41938%0.381SS..Hα-helixtrans-53.4-42.4-178.7-77.3-55.4-68.900114.5V415 Y421 F422 I423V415-M419 HydrophobicContact CG1-CG 4.48Å; V415-M419 HydrophobicContact CG1-SD 4.22Å; V415-M419 WeakPolarHBondContact O-CG 3.49Å; V415-M419 PolarHBondContact O-N 3.25Å; M419-Y421 VanDerWaalsContact C-N 3.27Å; M419-Y421 PolarHBondContact O-N 3.19Å; M419-F422 PolarHBondContact O-N 3.26Å; M419-I423 VanDerWaalsContact O-CG1 3.28Å; M419-I423 WeakPolarHBondContact O-CG1 3.5Å; M419-I423 PolarHBondContact O-N 3.04Å
420P83.4Confident81.5Confident58 Ų5887.3 Ų87.338%0.37741%0.407SS..Hα-helixtrans-58.4-37.1176.8-2736.9000113.9F394 A418 Q424F394-P420 HydrophobicContact CE1-CB 4.45Å; F394-P420 HydrophobicContact CE2-CB 4.48Å; F394-P420 HydrophobicContact CZ-CB 3.68Å; A418-P420 VanDerWaalsContact C-CD 3.48Å; P420-Q424 PolarHBondContact O-N 3.04Å
421Y82.6Confident81.7Confident5 Ų580.3 Ų80.32%0.0239%0.387CS..Hα-helixtrans-63.8-49175.2172.8-91.6000110.7L393 Y397 L400 V405 A418 M419 I423 Q424 V425L393-Y421 HydrophobicContact CB-CD2 4.08Å; L393-Y421 HydrophobicContact CB-CG 4.34Å; L393-Y421 WeakPolarHBondContact O-CD2 3.47Å; Y397-Y421 AromaticContact CD2-CD2 3.46Å; Y397-Y421 HydrophobicContact CD2-CD2 3.46Å; Y397-Y421 VanDerWaalsContact CD2-CD2 3.46Å; Y397-Y421 AromaticContact CD2-CE2 3.35Å; Y397-Y421 HydrophobicContact CD2-CE2 3.35Å; Y397-Y421 AromaticContact CE2-CD2 3.85Å; Y397-Y421 HydrophobicContact CE2-CD2 3.85Å; Y397-Y421 AromaticContact CE2-CE2 3.76Å; Y397-Y421 HydrophobicContact CE2-CE2 3.76Å; Y397-Y421 HydrophobicContact CG-CE2 4.16Å; L400-Y421 PolarHBondContact O-OH 3.31Å; V405-Y421 HydrophobicContact CB-CE1 4.41Å; V405-Y421 HydrophobicContact CG1-CD1 4.27Å; V405-Y421 HydrophobicContact CG1-CE1 4.36Å; V405-Y421 HydrophobicContact CG2-CE1 4.39Å; A418-Y421 WeakPolarHBondContact O-CB 3.47Å; A418-Y421 PolarHBondContact O-N 3.17Å; A418-Y421 VanDerWaalsContact O-N 3.08Å; M419-Y421 VanDerWaalsContact C-N 3.27Å; M419-Y421 PolarHBondContact O-N 3.19Å; Y421-I423 PolarHBondContact O-N 3.05Å; Y421-Q424 PolarHBondContact O-N 3.24Å; Y421-V425 HydrophobicContact CD1-CG2 4.12Å; Y421-V425 HydrophobicContact CE1-CG2 3.72Å; Y421-V425 HydrophobicContact CE2-CG2 4.26Å; Y421-V425 WeakPolarHBondContact O-CG2 3.5Å; Y421-V425 PolarHBondContact O-N 3.4Å
422F81.9Confident81.9Confident27 Ų2778.5 Ų78.512%0.11838%0.384CS..Hα-helixtrans-63.9-37.8179.4-69.4-63.5000113.2P402 V405 L406 A418 M419 Q424 V425 M426P402-F422 HydrophobicContact CB-CE1 4.36Å; V405-F422 HydrophobicContact CB-CZ 4.24Å; V405-F422 HydrophobicContact CG1-CE2 4.34Å; V405-F422 HydrophobicContact CG1-CZ 3.88Å; L406-F422 HydrophobicContact CB-CE1 4.07Å; L406-F422 HydrophobicContact CB-CZ 3.64Å; L406-F422 HydrophobicContact CD1-CE1 4.31Å; L406-F422 HydrophobicContact CD1-CE2 3.91Å; L406-F422 HydrophobicContact CD1-CZ 3.72Å; L406-F422 HydrophobicContact CG-CZ 4.29Å; A418-F422 HydrophobicContact CB-CD2 4.14Å; A418-F422 HydrophobicContact CB-CE2 3.7Å; A418-F422 VanDerWaalsContact O-CD2 3.24Å; A418-F422 WeakPolarHBondContact O-CD2 3.41Å; A418-F422 PolarHBondContact O-N 3.04Å; M419-F422 PolarHBondContact O-N 3.26Å; F422-Q424 VanDerWaalsContact C-N 3.29Å; F422-Q424 PolarHBondContact O-N 3.21Å; F422-V425 PolarHBondContact O-N 2.98Å; F422-M426 WeakPolarHBondContact O-CB 3.29Å; F422-M426 VanDerWaalsContact O-CG 3.24Å; F422-M426 WeakPolarHBondContact O-CG 3.34Å; F422-M426 PolarHBondContact O-N 2.84Å
423I83.8Confident82.4Confident105 Ų10577.5 Ų77.554%0.53838%0.384SS..Hα-helixtrans-59.5-43.7176-68.5164.3000110.4M419 Y421 R427M419-I423 VanDerWaalsContact O-CG1 3.28Å; M419-I423 WeakPolarHBondContact O-CG1 3.5Å; M419-I423 PolarHBondContact O-N 3.04Å; Y421-I423 PolarHBondContact O-N 3.05Å; I423-R427 WeakPolarHBondContact O-CB 3.46Å; I423-R427 PolarHBondContact O-N 3.43Å
424Q82.3Confident82.8Confident74 Ų7475.6 Ų75.635%0.34637%0.373SS..Hα-helixtrans-68.6-44.1178.9-174.462.715.100111.8Y397 P420 Y421 F422 M426 R427 E428Y397-Q424 HydrophobicContact CE2-CB 4.07Å; Y397-Q424 HydrophobicContact CE2-CG 3.88Å; P420-Q424 PolarHBondContact O-N 3.04Å; Y421-Q424 PolarHBondContact O-N 3.24Å; F422-Q424 VanDerWaalsContact C-N 3.29Å; F422-Q424 PolarHBondContact O-N 3.21Å; Q424-M426 PolarHBondContact O-N 3.06Å; Q424-R427 PolarHBondContact O-N 3.33Å; Q424-E428 PolarHBondContact NE2-OE1 2.83Å; Q424-E428 PolarHBondContact O-N 3.12Å
425V83.1Confident83.3Confident15 Ų1581.6 Ų81.69%0.09140%0.399CS..Hα-helixtrans-58.4-48.2175.41730000110.6Y397 P402 Y421 F422 R427 E428 Y429Y397-V425 HydrophobicContact CE2-CG2 3.7Å; Y397-V425 VanDerWaalsContact OH-CA 3.3Å; Y397-V425 WeakPolarHBondContact OH-CA 3.38Å; Y397-V425 WeakPolarHBondContact OH-CG2 3.47Å; Y397-V425 PolarHBondContact OH-N 3.39Å; P402-V425 HydrophobicContact CB-CG1 4.42Å; P402-V425 HydrophobicContact CG-CG1 3.88Å; P402-V425 HydrophobicContact CG-CG2 4.48Å; Y421-V425 HydrophobicContact CD1-CG2 4.12Å; Y421-V425 HydrophobicContact CE1-CG2 3.72Å; Y421-V425 HydrophobicContact CE2-CG2 4.26Å; Y421-V425 WeakPolarHBondContact O-CG2 3.5Å; Y421-V425 PolarHBondContact O-N 3.4Å; F422-V425 PolarHBondContact O-N 2.98Å; V425-R427 PolarHBondContact O-N 3.46Å; V425-E428 PolarHBondContact O-N 3.45Å; V425-Y429 HydrophobicContact CG1-CD2 3.64Å; V425-Y429 HydrophobicContact CG1-CE2 3.81Å; V425-Y429 WeakPolarHBondContact O-CB 3.19Å; V425-Y429 WeakPolarHBondContact O-CD2 3.13Å; V425-Y429 PolarHBondContact O-N 3.36Å
426M82.4Confident83.7Confident125 Ų12584.6 Ų84.662%0.61641%0.413SS*.Hα-helixtrans-61.8-43.1178.6-72.8-179.173.200111.8F422 Q424 E428 Y429 L430F422-M426 WeakPolarHBondContact O-CB 3.29Å; F422-M426 VanDerWaalsContact O-CG 3.24Å; F422-M426 WeakPolarHBondContact O-CG 3.34Å; F422-M426 PolarHBondContact O-N 2.84Å; Q424-M426 PolarHBondContact O-N 3.06Å; M426-E428 VanDerWaalsContact C-N 3.35Å; M426-E428 PolarHBondContact O-N 3.28Å; M426-Y429 PolarHBondContact O-N 3.26Å; M426-L430 WeakPolarHBondContact O-CB 3.24Å; M426-L430 VanDerWaalsContact O-CG 3.25Å; M426-L430 WeakPolarHBondContact O-CG 3.47Å; M426-L430 PolarHBondContact O-N 2.91Å
427R84.6Confident84.1Confident177 Ų17781.9 Ų81.967%0.66840%0.398SS*.Hα-helixtrans-60.9-44176.2-177.7-178.7178.9-173.10.2111.6I423 Q424 V425 S431I423-R427 WeakPolarHBondContact O-CB 3.46Å; I423-R427 PolarHBondContact O-N 3.43Å; Q424-R427 PolarHBondContact O-N 3.33Å; V425-R427 PolarHBondContact O-N 3.46Å; R427-S431 WeakPolarHBondContact O-CB 3.48Å; R427-S431 PolarHBondContact O-N 3.31Å; R427-S431 PolarHBondContact O-OG 3.29Å
428E84.1Confident84.6Confident57 Ų5781.3 Ų81.327%0.26640%0.403SS..Hα-helixtrans-67.1-44.5178.7-80.1177.9-169.500112.2Y397 Q424 V425 M426 S431 K432Y397-E428 WeakPolarHBondContact CE1-OE2 3.42Å; Y397-E428 PolarHBondContact OH-OE1 3.46Å; Y397-E428 PolarHBondContact OH-OE2 3.42Å; Q424-E428 PolarHBondContact NE2-OE1 2.83Å; Q424-E428 PolarHBondContact O-N 3.12Å; V425-E428 PolarHBondContact O-N 3.45Å; M426-E428 VanDerWaalsContact C-N 3.35Å; M426-E428 PolarHBondContact O-N 3.28Å; E428-S431 WeakPolarHBondContact CA-OG 3.27Å; E428-S431 PolarHBondContact O-N 3Å; E428-S431 PolarHBondContact O-OG 3.33Å; E428-K432 WeakPolarHBondContact O-CB 3.41Å; E428-K432 WeakPolarHBondContact O-CG 3.45Å; E428-K432 PolarHBondContact O-N 3.35Å
429Y80.7Confident84.9Confident154 Ų15486.1 Ų86.160%0.60443%0.428SS*.Hα-helixtrans-57.3-50174.6-97.2-88.2000111.2V425 M426 S431 K432 V433V425-Y429 HydrophobicContact CG1-CD2 3.64Å; V425-Y429 HydrophobicContact CG1-CE2 3.81Å; V425-Y429 WeakPolarHBondContact O-CB 3.19Å; V425-Y429 WeakPolarHBondContact O-CD2 3.13Å; V425-Y429 PolarHBondContact O-N 3.36Å; M426-Y429 PolarHBondContact O-N 3.26Å; Y429-S431 PolarHBondContact O-N 3.43Å; Y429-K432 PolarHBondContact O-N 3.2Å; Y429-V433 WeakPolarHBondContact O-CB 3.26Å; Y429-V433 VanDerWaalsContact O-CG2 3.26Å; Y429-V433 WeakPolarHBondContact O-CG2 3.29Å; Y429-V433 PolarHBondContact O-N 3.05Å
430L86.9Confident85.2Confident107 Ų10786.8 Ų86.856%0.5643%0.43SS*.Hα-helixtrans-58.5-47.6176.5-71.5169000111.1M426 K432 V433 D434M426-L430 WeakPolarHBondContact O-CB 3.24Å; M426-L430 VanDerWaalsContact O-CG 3.25Å; M426-L430 WeakPolarHBondContact O-CG 3.47Å; M426-L430 PolarHBondContact O-N 2.91Å; L430-K432 VanDerWaalsContact C-N 3.32Å; L430-K432 PolarHBondContact O-N 3.35Å; L430-V433 PolarHBondContact O-N 2.89Å; L430-D434 WeakPolarHBondContact O-CB 3.46Å; L430-D434 PolarHBondContact O-N 3.19Å
431S87Confident85.2Confident42 Ų4287 Ų8729%0.29443%0.433SS..Hα-helixtrans-65.2-31.8179.276.20000114.1R427 E428 Y429 K435R427-S431 WeakPolarHBondContact O-CB 3.48Å; R427-S431 PolarHBondContact O-N 3.31Å; R427-S431 PolarHBondContact O-OG 3.29Å; E428-S431 WeakPolarHBondContact CA-OG 3.27Å; E428-S431 PolarHBondContact O-N 3Å; E428-S431 PolarHBondContact O-OG 3.33Å; Y429-S431 PolarHBondContact O-N 3.43Å; S431-K435 WeakPolarHBondContact O-CB 3.45Å; S431-K435 WeakPolarHBondContact O-CD 3.46Å; S431-K435 WeakPolarHBondContact O-CG 3.28Å; S431-K435 PolarHBondContact O-N 3.07Å; S431-K435 VanDerWaalsContact O-N 3.11Å
432K86Confident85.3Confident123 Ų12390.9 Ų90.954%0.53545%0.454SS..Hα-helixtrans-73.1-42176-78.1176-178.31700110.3E428 Y429 L430 K435 L436E428-K432 WeakPolarHBondContact O-CB 3.41Å; E428-K432 WeakPolarHBondContact O-CG 3.45Å; E428-K432 PolarHBondContact O-N 3.35Å; Y429-K432 PolarHBondContact O-N 3.2Å; L430-K432 VanDerWaalsContact C-N 3.32Å; L430-K432 PolarHBondContact O-N 3.35Å; K432-K435 PolarHBondContact O-N 3.22Å; K432-L436 VanDerWaalsContact O-CG 3.28Å; K432-L436 WeakPolarHBondContact O-CG 3.25Å; K432-L436 PolarHBondContact O-N 2.98Å
433V89.3Confident85.2Confident68 Ų6897.9 Ų97.941%0.41248%0.479SS..Hα-helixtrans-61-50.4173.9172.80000110Y429 L430 K435 L436 D437Y429-V433 WeakPolarHBondContact O-CB 3.26Å; Y429-V433 VanDerWaalsContact O-CG2 3.26Å; Y429-V433 WeakPolarHBondContact O-CG2 3.29Å; Y429-V433 PolarHBondContact O-N 3.05Å; L430-V433 PolarHBondContact O-N 2.89Å; V433-K435 VanDerWaalsContact C-N 3.27Å; V433-K435 PolarHBondContact O-N 2.62Å; V433-L436 PolarHBondContact O-N 3.06Å; V433-D437 WeakPolarHBondContact O-CB 3.36Å; V433-D437 PolarHBondContact O-N 3.28Å
434D88Confident85Confident101 Ų10198.1 Ų98.154%0.5448%0.477SS..Hα-helixtrans-56.9-39.9177.4-66.5-22.2000112.3L430 A438L430-D434 WeakPolarHBondContact O-CB 3.46Å; L430-D434 PolarHBondContact O-N 3.19Å; D434-A438 VanDerWaalsContact O-CB 3.31Å; D434-A438 WeakPolarHBondContact O-CB 3.43Å; D434-A438 PolarHBondContact O-N 3.49Å
435K89.3Confident84.8Confident138 Ų138100.4 Ų100.460%0.649%0.487SS*.Hα-helixtrans-67.3-41.7175.7-77.7172-175.51780112.4S431 K432 V433 A438 L439S431-K435 WeakPolarHBondContact O-CB 3.45Å; S431-K435 WeakPolarHBondContact O-CD 3.46Å; S431-K435 WeakPolarHBondContact O-CG 3.28Å; S431-K435 PolarHBondContact O-N 3.07Å; S431-K435 VanDerWaalsContact O-N 3.11Å; K432-K435 PolarHBondContact O-N 3.22Å; V433-K435 VanDerWaalsContact C-N 3.27Å; V433-K435 PolarHBondContact O-N 2.62Å; K435-A438 PolarHBondContact O-N 2.88Å; K435-L439 WeakPolarHBondContact O-CB 3.15Å; K435-L439 VanDerWaalsContact O-CG 3.26Å; K435-L439 WeakPolarHBondContact O-CG 3.44Å; K435-L439 PolarHBondContact O-N 3.28Å
436L86.4Confident84.3Confident111 Ų111105.9 Ų105.958%0.58151%0.512SS*.Hα-helixtrans-66-42.9177-72.3171.7000110.7K432 V433 A438 L439 E440K432-L436 VanDerWaalsContact O-CG 3.28Å; K432-L436 WeakPolarHBondContact O-CG 3.25Å; K432-L436 PolarHBondContact O-N 2.98Å; V433-L436 PolarHBondContact O-N 3.06Å; L436-A438 VanDerWaalsContact C-N 3.33Å; L436-A438 PolarHBondContact O-N 2.97Å; L436-L439 PolarHBondContact O-N 3.39Å; L436-E440 WeakPolarHBondContact O-CB 3.25Å; L436-E440 PolarHBondContact O-N 3.34Å
437D87.1Confident83.8Confident84 Ų84106.1 Ų106.145%0.44951%0.511SS..Hα-helixtrans-61.3-42.3175.5-70.2-18.6000111.1V433 E440 S441V433-D437 WeakPolarHBondContact O-CB 3.36Å; V433-D437 PolarHBondContact O-N 3.28Å; D437-E440 PolarHBondContact O-N 2.81Å; D437-S441 VanDerWaalsContact O-CB 3.29Å; D437-S441 WeakPolarHBondContact O-CB 3.26Å; D437-S441 PolarHBondContact O-N 3.24Å; D437-S441 PolarHBondContact O-OG 3.44Å
438A87.4Confident82.6Confident52 Ų52104.6 Ų104.643%0.4351%0.512SS..Hα-helixtrans-64.9-42.4174.800000112.5D434 K435 L436 S441 L442D434-A438 VanDerWaalsContact O-CB 3.31Å; D434-A438 WeakPolarHBondContact O-CB 3.43Å; D434-A438 PolarHBondContact O-N 3.49Å; K435-A438 PolarHBondContact O-N 2.88Å; L436-A438 VanDerWaalsContact C-N 3.33Å; L436-A438 PolarHBondContact O-N 2.97Å; A438-S441 WeakPolarHBondContact O-CB 3.5Å; A438-S441 PolarHBondContact O-N 3.31Å; A438-L442 WeakPolarHBondContact O-CB 3.39Å; A438-L442 WeakPolarHBondContact O-CG 3.28Å; A438-L442 PolarHBondContact O-N 3.43Å
439L86.7Confident81.5Confident100 Ų100107.8 Ų107.852%0.52453%0.534SS..Hα-helixtrans-66-40.2176.5-75.9169.2000112.2K435 L436 S441 L442 R443K435-L439 WeakPolarHBondContact O-CB 3.15Å; K435-L439 VanDerWaalsContact O-CG 3.26Å; K435-L439 WeakPolarHBondContact O-CG 3.44Å; K435-L439 PolarHBondContact O-N 3.28Å; L436-L439 PolarHBondContact O-N 3.39Å; L439-S441 VanDerWaalsContact C-N 3.34Å; L439-L442 PolarHBondContact O-N 3.16Å; L439-R443 WeakPolarHBondContact O-CG 3.34Å; L439-R443 PolarHBondContact O-N 3.43Å
440E86.5Confident80.2Confident99 Ų99105.9 Ų105.946%0.46354%0.539SS..Hα-helixtrans-68.3-37.4176.1-165.4-179.6148.500111.1L436 D437 R443 K444L436-E440 WeakPolarHBondContact O-CB 3.25Å; L436-E440 PolarHBondContact O-N 3.34Å; D437-E440 PolarHBondContact O-N 2.81Å; E440-R443 PolarHBondContact O-N 3.21Å; E440-K444 WeakPolarHBondContact O-CB 3.36Å; E440-K444 WeakPolarHBondContact O-CG 3.38Å; E440-K444 PolarHBondContact O-N 2.92Å; E440-K444 VanDerWaalsContact OE1-CE 3.28Å; E440-K444 WeakPolarHBondContact OE1-CE 3.19Å; E440-K444 IonicContact OE1-NZ 3.53Å; E440-K444 PolarHBondContact OE1-NZ 2.91Å
441S83.8Confident78.3Confident62 Ų62107.5 Ų107.543%0.43454%0.544SS..Hα-helixtrans-62.7-42.6173.2-58.10000112D437 A438 L439 K444 Q445D437-S441 VanDerWaalsContact O-CB 3.29Å; D437-S441 WeakPolarHBondContact O-CB 3.26Å; D437-S441 PolarHBondContact O-N 3.24Å; D437-S441 PolarHBondContact O-OG 3.44Å; A438-S441 WeakPolarHBondContact O-CB 3.5Å; A438-S441 PolarHBondContact O-N 3.31Å; L439-S441 VanDerWaalsContact C-N 3.34Å; S441-K444 PolarHBondContact O-N 2.95Å; S441-Q445 WeakPolarHBondContact O-CG 3.41Å; S441-Q445 PolarHBondContact O-N 3.2Å
442L83.7Confident76.5Confident88 Ų88111.5 Ų111.546%0.46157%0.569SS.*Hα-helixtrans-64.6-44.6174.7-77.7162.3000111.6A438 L439 K444 Q445 E446A438-L442 WeakPolarHBondContact O-CB 3.39Å; A438-L442 WeakPolarHBondContact O-CG 3.28Å; A438-L442 PolarHBondContact O-N 3.43Å; L439-L442 PolarHBondContact O-N 3.16Å; L442-K444 VanDerWaalsContact C-N 3.33Å; L442-K444 PolarHBondContact O-N 3.48Å; L442-Q445 WeakPolarHBondContact O-CB 3.12Å; L442-Q445 PolarHBondContact O-N 3.34Å; L442-Q445 VanDerWaalsContact O-N 3.12Å; L442-E446 WeakPolarHBondContact O-CG 3.47Å; L442-E446 PolarHBondContact O-N 3.17Å
443R79.7Confident74.7Confident173 Ų173109.8 Ų109.865%0.65358%0.578SS**Hα-helixtrans-58.8-44174.6-77.6-177.7-179.4-178.21.2112.1L439 E440 Q445 E446 E447L439-R443 WeakPolarHBondContact O-CG 3.34Å; L439-R443 PolarHBondContact O-N 3.43Å; E440-R443 PolarHBondContact O-N 3.21Å; R443-Q445 VanDerWaalsContact C-N 3.29Å; R443-Q445 PolarHBondContact O-N 2.99Å; R443-E446 PolarHBondContact O-N 3.26Å; R443-E447 WeakPolarHBondContact O-CB 3.47Å; R443-E447 WeakPolarHBondContact O-CG 3.45Å; R443-E447 PolarHBondContact O-N 3.04Å
444K80.9Confident72.9Confident111 Ų111112.2 Ų112.248%0.48360%0.595SS.*Hα-helixtrans-63-34.4175.9-74.1171.3-176.2163.20112.4E440 S441 L442 H448E440-K444 WeakPolarHBondContact O-CB 3.36Å; E440-K444 WeakPolarHBondContact O-CG 3.38Å; E440-K444 PolarHBondContact O-N 2.92Å; E440-K444 VanDerWaalsContact OE1-CE 3.28Å; E440-K444 WeakPolarHBondContact OE1-CE 3.19Å; E440-K444 IonicContact OE1-NZ 3.53Å; E440-K444 PolarHBondContact OE1-NZ 2.91Å; S441-K444 PolarHBondContact O-N 2.95Å; L442-K444 VanDerWaalsContact C-N 3.33Å; L442-K444 PolarHBondContact O-N 3.48Å; K444-H448 WeakPolarHBondContact O-CB 3.33Å; K444-H448 PolarHBondContact O-N 3.29Å; K444-H448 VanDerWaalsContact O-N 3.15Å
445Q76.8Confident70.9Confident122 Ų122115.3 Ų115.357%0.5761%0.61SS**Hα-helixtrans-71.3-42.9173.9-73.5175.53.900112S441 L442 R443 H448 V449S441-Q445 WeakPolarHBondContact O-CG 3.41Å; S441-Q445 PolarHBondContact O-N 3.2Å; L442-Q445 WeakPolarHBondContact O-CB 3.12Å; L442-Q445 PolarHBondContact O-N 3.34Å; L442-Q445 VanDerWaalsContact O-N 3.12Å; R443-Q445 VanDerWaalsContact C-N 3.29Å; R443-Q445 PolarHBondContact O-N 2.99Å; Q445-H448 PolarHBondContact O-N 3.32Å; Q445-V449 VanDerWaalsContact O-CG2 3.29Å; Q445-V449 WeakPolarHBondContact O-CG2 3.41Å; Q445-V449 PolarHBondContact O-N 3.18Å
446E73.9Confident69Low129 Ų129114.4 Ų114.460%0.60362%0.616SS**Hα-helixtrans-62.9-43.7176-72.9178.1168.700111.6L442 R443 H448 V449 T450L442-E446 WeakPolarHBondContact O-CG 3.47Å; L442-E446 PolarHBondContact O-N 3.17Å; R443-E446 PolarHBondContact O-N 3.26Å; E446-H448 VanDerWaalsContact C-N 3.33Å; E446-H448 PolarHBondContact O-N 3.22Å; E446-V449 PolarHBondContact O-N 2.98Å; E446-V449 VanDerWaalsContact O-N 3.17Å; E446-T450 PolarHBondContact O-N 3.1Å; E446-T450 VanDerWaalsContact O-N 3.07Å; E446-T450 PolarHBondContact O-OG1 3.41Å; E446-T450 VanDerWaalsContact O-OG1 3.09Å
447E70.8Confident66.9Low130 Ų130117.6 Ų117.661%0.60763%0.626SS**Hα-helixtrans-60.2-41.7174.6-75.1175.7175.100111.6R443 V449 T450 E451R443-E447 WeakPolarHBondContact O-CB 3.47Å; R443-E447 WeakPolarHBondContact O-CG 3.45Å; R443-E447 PolarHBondContact O-N 3.04Å; E447-V449 VanDerWaalsContact C-N 3.32Å; E447-V449 PolarHBondContact O-N 3.15Å; E447-T450 WeakPolarHBondContact CA-OG1 3.38Å; E447-T450 PolarHBondContact O-N 2.96Å; E447-T450 PolarHBondContact O-OG1 3.47Å; E447-E451 PolarHBondContact O-N 3.45Å
448H60.7Low64.8Low146 Ų146120.5 Ų120.568%0.67664%0.641SS**Hα-helixtrans-66.2-28.8175.5-108.5-52.4000114.2K444 Q445 E446K444-H448 WeakPolarHBondContact O-CB 3.33Å; K444-H448 PolarHBondContact O-N 3.29Å; K444-H448 VanDerWaalsContact O-N 3.15Å; Q445-H448 PolarHBondContact O-N 3.32Å; E446-H448 VanDerWaalsContact C-N 3.33Å; E446-H448 PolarHBondContact O-N 3.22Å
449V59.5Low62.8Low123 Ų123127.6 Ų127.675%0.74566%0.663SS**Hα-helixtrans-81-25.6177.4173.10000111.5Q445 E446 E447Q445-V449 VanDerWaalsContact O-CG2 3.29Å; Q445-V449 WeakPolarHBondContact O-CG2 3.41Å; Q445-V449 PolarHBondContact O-N 3.18Å; E446-V449 PolarHBondContact O-N 2.98Å; E446-V449 VanDerWaalsContact O-N 3.17Å; E447-V449 VanDerWaalsContact C-N 3.32Å; E447-V449 PolarHBondContact O-N 3.15Å
450T54.5Low60.7Low114 Ų114130.4 Ų130.470%0.69968%0.678SS**Hα-helixtrans-82.4-12.3177.344.70000115.4E446 E447 P452E446-T450 PolarHBondContact O-N 3.1Å; E446-T450 VanDerWaalsContact O-N 3.07Å; E446-T450 PolarHBondContact O-OG1 3.41Å; E446-T450 VanDerWaalsContact O-OG1 3.09Å; E447-T450 WeakPolarHBondContact CA-OG1 3.38Å; E447-T450 PolarHBondContact O-N 2.96Å; E447-T450 PolarHBondContact O-OG1 3.47Å; T450-P452 WeakPolarHBondContact O-CD 3.46Å
451E47.3Very low58.6Low141 Ų141128.8 Ų128.866%0.65969%0.688SS**SBendtrans-73.6116.9165.5-72.5-168.7159.300109.3E447 A453E447-E451 PolarHBondContact O-N 3.45Å; E451-A453 PolarHBondContact O-N 3.5Å; E451-A453 VanDerWaalsContact O-N 3.12Å
452P48.1Very low56.6Low126 Ų126134.7 Ų134.782%0.81871%0.708SS**  trans-69.9115.4-172.626.1-31.1000110.7T450T450-P452 WeakPolarHBondContact O-CD 3.46Å
453A49.3Very low54.5Low88 Ų88143.2 Ų143.273%0.72775%0.746SS**  trans-58.2135.1169.700000110.4E451 L455E451-A453 PolarHBondContact O-N 3.5Å; E451-A453 VanDerWaalsContact O-N 3.12Å; A453-L455 PolarHBondContact O-N 2.98Å
454P50.2Low53.2Low118 Ų118141.8 Ų141.877%0.76675%0.751SS**  trans-67.1121.7-176.825.3-30.9000110.6V456P454-V456 PolarHBondContact O-N 3.43Å; P454-V456 VanDerWaalsContact O-N 3.1Å
455L47.2Very low51.7Low166 Ų166143.4 Ų143.487%0.86977%0.765SS**  trans-61.7106.4175.6-80.5157.6000110.5A453A453-L455 PolarHBondContact O-N 2.98Å
456V48Very low50.4Low119 Ų119144.6 Ų144.672%0.72178%0.776SS**  trans-94.3118.3167.7-178.40000108P454P454-V456 PolarHBondContact O-N 3.43Å; P454-V456 VanDerWaalsContact O-N 3.1Å
457F42.5Very low49Very low179 Ų179145.5 Ų145.579%0.78579%0.786SS**  trans-81.6115.8172.2-94.9-93.7000109.3
458D43.5Very low47.6Very low144 Ų144146.4 Ų146.477%0.7780%0.797SS**  trans-84.6123.3168.8-77.8-31.5000110.3
459F44.6Very low46.7Very low202 Ų202146.5 Ų146.589%0.88681%0.805SS**  trans-94.4102169.7-108.4-89.3000108.1
460D44.2Very low45.8Very low158 Ų158148.1 Ų148.185%0.84581%0.809SS**  trans-90119.7167.5-88.3-25.8000110.1
461G42.3Very low45.2Very low65 Ų65150.8 Ų150.867%0.6782%0.818SS**  trans-88.4137.1174.400000112.1
462H40.9Very low45Very low186 Ų186151.6 Ų151.686%0.86183%0.831SS**  trans-142.6123.7153.6-85.2-65.3000109.6
463E39Very low44.7Very low268 Ų268153.9 Ų153.9100%1.25283%0.832SS**  trans21.30164.6-65.5-177.4160.700121.4

Retrieved 463 of 463 residues in 190 ms (Link to these results)