A0A060Q600_CAEEL Loading...

Armadillo repeat-containing protein 5

AlphaFold DB , UniProt , Accession A0A060Q600, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 161 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
1M32.9Very low46.2Very low212 Ų212129.8 Ų129.8100%1.04467%0.665SS**  098.70-73.4-173.1-172.800109.8F3M1-F3 PolarHBondContact O-N 3.11Å
2Q34.7Very low49.1Very low192 Ų192127.8 Ų127.890%0.89766%0.657SS**  trans-72.6102.3164.3-132.6166.6-8.800105.1L4Q2-L4 VanDerWaalsContact C-N 3.33Å; Q2-L4 PolarHBondContact O-N 3.34Å
3F41.3Very low51.7Low158 Ų158123.2 Ų123.269%0.69364%0.64SS**  trans-69.8101.3172.2-107.1-90.3000106.8M1 L5M1-F3 PolarHBondContact O-N 3.11Å; F3-L5 VanDerWaalsContact C-N 3.32Å; F3-L5 PolarHBondContact O-N 3.31Å
4L37.6Very low53.9Low123 Ų123115.3 Ų115.364%0.64460%0.6SS**  trans-46.597.3159.2-67.9160.9000107.8Q2 E6Q2-L4 VanDerWaalsContact C-N 3.33Å; Q2-L4 PolarHBondContact O-N 3.34Å; L4-E6 HydrophobicContact CB-CB 4.26Å; L4-E6 HydrophobicContact CB-CG 3.97Å; L4-E6 HydrophobicContact CD2-CG 4.07Å; L4-E6 PolarHBondContact O-N 3.19Å
5L43.3Very low56.1Low102 Ų102108.4 Ų108.453%0.53457%0.565SS.*  trans-77.761158.3-73.8163.6000106.6F3 L9F3-L5 VanDerWaalsContact C-N 3.32Å; F3-L5 PolarHBondContact O-N 3.31Å; L5-L9 HydrophobicContact CD2-CD1 3.53Å
6E42.2Very low58.1Low125 Ų125112.4 Ų112.458%0.58457%0.571SS**  trans-76.2152.5171.8-88.9-177.6173.900109.3L4 N8L4-E6 HydrophobicContact CB-CB 4.26Å; L4-E6 HydrophobicContact CB-CG 3.97Å; L4-E6 HydrophobicContact CD2-CG 4.07Å; L4-E6 PolarHBondContact O-N 3.19Å; E6-N8 PolarHBondContact O-N 3.41Å
7P46Very low59.8Low126 Ų126108.8 Ų108.882%0.81856%0.561SS**SBendtrans-7322.9-144.228.9-37.3000117.6
8N45.3Very low61.5Low149 Ų149102.8 Ų102.880%0.79753%0.531SS*.  trans-95.710.5-176.4-71.1-24.9000114.8E6 T10E6-N8 PolarHBondContact O-N 3.41Å; N8-T10 PolarHBondContact O-N 3.39Å
9L52.7Low63Low80 Ų8099.4 Ų99.442%0.41952%0.515SS..  trans-7395169.5-75.4168.7000109L5L5-L9 HydrophobicContact CD2-CD1 3.53Å
10T62.7Low64.4Low91 Ų9198.4 Ų98.456%0.55851%0.513SS*.  trans-62.3148.5163.353.60000108.5N8 N12 P13N8-T10 PolarHBondContact O-N 3.39Å; T10-N12 PolarHBondContact O-N 2.89Å; T10-P13 WeakPolarHBondContact O-CD 3.41Å; T10-P13 WeakPolarHBondContact OG1-CD 3.16Å; T10-P13 WeakPolarHBondContact OG1-CG 3.33Å
11E69.7Low65.6Low70 Ų7097.6 Ų97.633%0.32751%0.508SS..Hα-helixtrans-56.7-37.2-174.3-175.4171.5169.900112.5C14 T15 W52 N58E11-C14 WeakPolarHBondContact O-CB 3.34Å; E11-C14 PolarHBondContact O-N 2.85Å; E11-T15 PolarHBondContact O-N 3.24Å; E11-T15 PolarHBondContact O-OG1 3.22Å; E11-W52 HydrophobicContact CB-CH2 4.45Å; E11-N58 WeakPolarHBondContact CG-ND2 3.46Å; E11-N58 WeakPolarHBondContact OE1-CB 3.39Å; E11-N58 PolarHBondContact OE1-ND2 3.21Å
12N80.6Confident68.4Low106 Ų10687.7 Ų87.757%0.56746%0.459SS*.Hα-helixtrans-67.1-52-172.9-172.3-19.3000114.1T10 C14 T15 R16T10-N12 PolarHBondContact O-N 2.89Å; N12-C14 VanDerWaalsContact C-N 3.3Å; N12-C14 PolarHBondContact O-N 3.23Å; N12-T15 PolarHBondContact O-N 3.05Å; N12-R16 WeakPolarHBondContact O-CB 3.31Å; N12-R16 WeakPolarHBondContact O-CG 3.49Å; N12-R16 PolarHBondContact O-N 3.37Å; N12-R16 VanDerWaalsContact OD1-CD 3.24Å; N12-R16 WeakPolarHBondContact OD1-CD 3.45Å
13P83.1Confident71.2Confident68 Ų6884 Ų8444%0.44244%0.443SS..Hα-helixtrans-55.8-40172.2-27.433.8000114.2T10 R16 A17T10-P13 WeakPolarHBondContact O-CD 3.41Å; T10-P13 WeakPolarHBondContact OG1-CD 3.16Å; T10-P13 WeakPolarHBondContact OG1-CG 3.33Å; P13-R16 PolarHBondContact O-N 3.39Å; P13-A17 WeakPolarHBondContact O-CB 3.44Å; P13-A17 PolarHBondContact O-N 2.69Å
14C83.2Confident73.6Confident12 Ų1279.2 Ų79.28%0.08143%0.428CS..Hα-helixtrans-61.6-52175.8-83.20000111.5E11 N12 R16 A17 V18 W52 M61E11-C14 WeakPolarHBondContact O-CB 3.34Å; E11-C14 PolarHBondContact O-N 2.85Å; N12-C14 VanDerWaalsContact C-N 3.3Å; N12-C14 PolarHBondContact O-N 3.23Å; C14-R16 VanDerWaalsContact C-N 3.32Å; C14-R16 PolarHBondContact O-N 3.49Å; C14-A17 PolarHBondContact O-N 3.49Å; C14-V18 WeakPolarHBondContact O-CG2 3.49Å; C14-V18 PolarHBondContact O-N 3.38Å; C14-W52 HydrophobicContact CB-CZ3 4.42Å; C14-M61 HydrophobicContact CB-CE 4.42Å; C14-M61 HydrophobicContact CB-SD 4.32Å
15T86.3Confident76.1Confident12 Ų1273.7 Ų73.77%0.07440%0.399CS..Hα-helixtrans-57.8-47178.1-56.30000110.8E11 N12 A17 V18 V19 N58 L60 M61E11-T15 PolarHBondContact O-N 3.24Å; E11-T15 PolarHBondContact O-OG1 3.22Å; N12-T15 PolarHBondContact O-N 3.05Å; T15-A17 VanDerWaalsContact C-N 3.35Å; T15-A17 PolarHBondContact O-N 3.26Å; T15-V18 PolarHBondContact O-N 3.15Å; T15-V19 HydrophobicContact CG2-CG2 4.37Å; T15-V19 VanDerWaalsContact O-CG2 3.3Å; T15-V19 WeakPolarHBondContact O-CG2 2.91Å; T15-V19 PolarHBondContact O-N 3.25Å; T15-N58 PolarHBondContact OG1-ND2 2.98Å; T15-L60 HydrophobicContact CG2-CB 4.04Å; T15-L60 HydrophobicContact CG2-CD2 3.7Å; T15-L60 HydrophobicContact CG2-CG 3.85Å; T15-M61 HydrophobicContact CG2-CB 4.1Å
16R87.8Confident78.3Confident173 Ų17373 Ų7365%0.65339%0.393SS*.Hα-helixtrans-59.5-44.4177.7-72.8179.666.2-174.50.9112N12 P13 C14 V18 V19 V20N12-R16 WeakPolarHBondContact O-CB 3.31Å; N12-R16 WeakPolarHBondContact O-CG 3.49Å; N12-R16 PolarHBondContact O-N 3.37Å; N12-R16 VanDerWaalsContact OD1-CD 3.24Å; N12-R16 WeakPolarHBondContact OD1-CD 3.45Å; P13-R16 PolarHBondContact O-N 3.39Å; C14-R16 VanDerWaalsContact C-N 3.32Å; C14-R16 PolarHBondContact O-N 3.49Å; R16-V18 PolarHBondContact O-N 2.96Å; R16-V19 PolarHBondContact O-N 3.01Å; R16-V20 VanDerWaalsContact O-CG2 3.3Å; R16-V20 WeakPolarHBondContact O-CG2 3.26Å; R16-V20 PolarHBondContact O-N 3.32Å
17A88Confident80.6Confident50 Ų5077.2 Ų77.241%0.41340%0.403SS..Hα-helixtrans-61.8-43.1177.700000111.7P13 C14 T15 V20 M21P13-A17 WeakPolarHBondContact O-CB 3.44Å; P13-A17 PolarHBondContact O-N 2.69Å; C14-A17 PolarHBondContact O-N 3.49Å; T15-A17 VanDerWaalsContact C-N 3.35Å; T15-A17 PolarHBondContact O-N 3.26Å; A17-V20 PolarHBondContact O-N 2.83Å; A17-M21 WeakPolarHBondContact O-CB 3.21Å; A17-M21 VanDerWaalsContact O-CG 3.29Å; A17-M21 WeakPolarHBondContact O-CG 3.28Å; A17-M21 PolarHBondContact O-N 2.98Å
18V89.1Confident82.7Confident2 Ų274.1 Ų74.11%0.01238%0.379CS..Hα-helixtrans-65.5-42.9177.4174.60000112C14 T15 R16 V20 M21 S22 M61 A64 S65 I68C14-V18 WeakPolarHBondContact O-CG2 3.49Å; C14-V18 PolarHBondContact O-N 3.38Å; T15-V18 PolarHBondContact O-N 3.15Å; R16-V18 PolarHBondContact O-N 2.96Å; V18-V20 VanDerWaalsContact C-N 3.34Å; V18-V20 PolarHBondContact O-N 3.23Å; V18-M21 HydrophobicContact CB-CE 4.24Å; V18-M21 HydrophobicContact CG2-CE 3.77Å; V18-M21 PolarHBondContact O-N 2.94Å; V18-S22 PolarHBondContact O-N 2.84Å; V18-M61 HydrophobicContact CB-CG 4.23Å; V18-M61 HydrophobicContact CG1-CG 4.28Å; V18-M61 HydrophobicContact CG2-CE 3.94Å; V18-M61 HydrophobicContact CG2-CG 4.11Å; V18-A64 HydrophobicContact CG1-CB 3.86Å; V18-S65 WeakPolarHBondContact CG1-OG 3.46Å; V18-I68 HydrophobicContact CG1-CD1 4.07Å
19V90Very high84.8Confident37 Ų3773.7 Ų73.722%0.22437%0.372CS..Hα-helixtrans-61.3-44.2175.9171.80000110.9T15 R16 M21 S22 Q23 L60 A64T15-V19 HydrophobicContact CG2-CG2 4.37Å; T15-V19 VanDerWaalsContact O-CG2 3.3Å; T15-V19 WeakPolarHBondContact O-CG2 2.91Å; T15-V19 PolarHBondContact O-N 3.25Å; R16-V19 PolarHBondContact O-N 3.01Å; V19-M21 PolarHBondContact O-N 3.5Å; V19-S22 WeakPolarHBondContact O-CB 3.36Å; V19-S22 PolarHBondContact O-N 3.4Å; V19-Q23 WeakPolarHBondContact O-CG 3.32Å; V19-Q23 PolarHBondContact O-N 2.98Å; V19-L60 HydrophobicContact CG2-CD1 3.97Å; V19-L60 HydrophobicContact CG2-CD2 3.99Å; V19-L60 HydrophobicContact CG2-CG 3.7Å; V19-A64 HydrophobicContact CG2-CB 4.11Å
20V91.5Very high86.4Confident79 Ų7972.1 Ų72.148%0.47937%0.367SS..Hα-helixtrans-62.7-42.5175171.40000111R16 A17 V18 S22 Q23 C24R16-V20 VanDerWaalsContact O-CG2 3.3Å; R16-V20 WeakPolarHBondContact O-CG2 3.26Å; R16-V20 PolarHBondContact O-N 3.32Å; A17-V20 PolarHBondContact O-N 2.83Å; V18-V20 VanDerWaalsContact C-N 3.34Å; V18-V20 PolarHBondContact O-N 3.23Å; V20-S22 VanDerWaalsContact C-N 3.32Å; V20-S22 PolarHBondContact O-N 2.85Å; V20-Q23 WeakPolarHBondContact O-CB 3.46Å; V20-Q23 PolarHBondContact O-N 3.43Å; V20-Q23 VanDerWaalsContact O-N 3.12Å; V20-C24 PolarHBondContact O-N 3.32Å; V20-C24 PolarHBondContact O-SG 2.91Å
21M89.8Confident87.8Confident82 Ų8273.7 Ų73.740%0.40437%0.372SS..Hα-helixtrans-60.3-40.9174.8-74.3-173.7-60.300111.9A17 V18 V19 Q23 C24 I25 I68A17-M21 WeakPolarHBondContact O-CB 3.21Å; A17-M21 VanDerWaalsContact O-CG 3.29Å; A17-M21 WeakPolarHBondContact O-CG 3.28Å; A17-M21 PolarHBondContact O-N 2.98Å; V18-M21 HydrophobicContact CB-CE 4.24Å; V18-M21 HydrophobicContact CG2-CE 3.77Å; V18-M21 PolarHBondContact O-N 2.94Å; V19-M21 PolarHBondContact O-N 3.5Å; M21-Q23 VanDerWaalsContact C-N 3.29Å; M21-Q23 PolarHBondContact O-N 3.22Å; M21-C24 PolarHBondContact O-N 3.31Å; M21-C24 VanDerWaalsContact O-N 3.14Å; M21-I25 WeakPolarHBondContact O-CG1 3.5Å; M21-I25 WeakPolarHBondContact O-CG2 3.48Å; M21-I25 PolarHBondContact O-N 2.92Å; M21-I68 HydrophobicContact CB-CD1 3.91Å
22S92.2Very high88.6Confident4 Ų475 Ų753%0.02838%0.379CS..Hα-helixtrans-61.1-37.4174.1-169.60000111.8V18 V19 V20 I25 H26 E67V18-S22 PolarHBondContact O-N 2.84Å; V19-S22 WeakPolarHBondContact O-CB 3.36Å; V19-S22 PolarHBondContact O-N 3.4Å; V20-S22 VanDerWaalsContact C-N 3.32Å; V20-S22 PolarHBondContact O-N 2.85Å; S22-I25 WeakPolarHBondContact O-CG1 3.13Å; S22-H26 PolarHBondContact O-CD2 3.35Å; S22-E67 WeakPolarHBondContact OG-CG 3.5Å; S22-E67 PolarHBondContact OG-OE2 3.03Å
23Q92.3Very high88.9Confident116 Ų11670.1 Ų70.154%0.54235%0.352SS..Hα-helixtrans-70.1-35.4173.8-67175.3-8.900112.7V19 V20 M21V19-Q23 WeakPolarHBondContact O-CG 3.32Å; V19-Q23 PolarHBondContact O-N 2.98Å; V20-Q23 WeakPolarHBondContact O-CB 3.46Å; V20-Q23 PolarHBondContact O-N 3.43Å; V20-Q23 VanDerWaalsContact O-N 3.12Å; M21-Q23 VanDerWaalsContact C-N 3.29Å; M21-Q23 PolarHBondContact O-N 3.22Å
24C92.3Very high89.1Confident57 Ų5770.4 Ų70.439%0.38535%0.347SS..Hα-helixtrans-68.8-46.6178.8-69.80000112.5V20 M21 H26 R27 M28V20-C24 PolarHBondContact O-N 3.32Å; V20-C24 PolarHBondContact O-SG 2.91Å; M21-C24 PolarHBondContact O-N 3.31Å; M21-C24 VanDerWaalsContact O-N 3.14Å; C24-H26 PolarHBondContact O-N 2.81Å; C24-R27 PolarHBondContact O-N 3.4Å; C24-M28 HydrophobicContact CB-CE 4.35Å; C24-M28 WeakPolarHBondContact O-CG 3.5Å; C24-M28 PolarHBondContact O-N 3.06Å
25I90.1Very high89.3Confident7 Ų773.4 Ų73.44%0.03637%0.368CS..Hα-helixtrans-62.7-28.3-17855.6120.9000113.1M21 S22 R27 M28 L33 F37 I68 K71M21-I25 WeakPolarHBondContact O-CG1 3.5Å; M21-I25 WeakPolarHBondContact O-CG2 3.48Å; M21-I25 PolarHBondContact O-N 2.92Å; S22-I25 WeakPolarHBondContact O-CG1 3.13Å; I25-R27 PolarHBondContact O-N 2.93Å; I25-M28 HydrophobicContact CG2-SD 4.27Å; I25-M28 PolarHBondContact O-N 3.49Å; I25-L33 HydrophobicContact CB-CD2 3.94Å; I25-L33 HydrophobicContact CG2-CD2 3.96Å; I25-F37 HydrophobicContact CG2-CE2 4.35Å; I25-I68 HydrophobicContact CD1-CB 4.3Å; I25-I68 HydrophobicContact CD1-CG1 4.07Å; I25-I68 HydrophobicContact CG1-CG1 4.04Å; I25-I68 HydrophobicContact CG2-CG2 4.44Å; I25-K71 HydrophobicContact CD1-CB 3.47Å; I25-K71 VanDerWaalsContact CD1-CB 3.47Å; I25-K71 HydrophobicContact CD1-CG 3.79Å
26H90.5Very high89.1Confident88 Ų8876 Ų7641%0.40738%0.381SS..THydrogen-bonded Turntrans-68-20.4173.1-80.4-57.5000113.9S22 C24 E67S22-H26 PolarHBondContact O-CD2 3.35Å; C24-H26 PolarHBondContact O-N 2.81Å; H26-E67 IonicContact CD2-OE1 3.65Å; H26-E67 IonicContact CE1-OE1 3.65Å; H26-E67 VanDerWaalsContact NE2-CD 3.33Å; H26-E67 IonicContact NE2-OE1 2.71Å; H26-E67 PolarHBondContact NE2-OE1 3.44Å
27R90Very high88.8Confident212 Ų21268.8 Ų68.880%0.835%0.354SS*.THydrogen-bonded Turntrans-99.1-11.4178.1-60.7-178.8-178-178.70.7113.2C24 I25C24-R27 PolarHBondContact O-N 3.4Å; I25-R27 PolarHBondContact O-N 2.93Å
28M89.5Confident88.3Confident62 Ų6269.5 Ų69.531%0.30535%0.349SS..SBendtrans-77.7141.7-179.3-74174.4174.800111.6C24 I25 E32 L33 L36C24-M28 HydrophobicContact CB-CE 4.35Å; C24-M28 WeakPolarHBondContact O-CG 3.5Å; C24-M28 PolarHBondContact O-N 3.06Å; I25-M28 HydrophobicContact CG2-SD 4.27Å; I25-M28 PolarHBondContact O-N 3.49Å; M28-E32 WeakPolarHBondContact CA-OE2 3.32Å; M28-E32 HydrophobicContact CB-CB 4.23Å; M28-E32 HydrophobicContact CG-CB 4.49Å; M28-L33 HydrophobicContact CB-CD2 3.9Å; M28-L33 HydrophobicContact CB-CG 3.84Å; M28-L33 HydrophobicContact SD-CD2 3.96Å; M28-L36 HydrophobicContact CE-CD1 3.78Å; M28-L36 HydrophobicContact SD-CD1 3.5Å; M28-L36 VanDerWaalsContact SD-CD1 3.5Å
29H89.9Confident87.9Confident140 Ų14075 Ų7565%0.64837%0.373SS*.  trans-72.8162170.9-65.1-71.6000111.4D31 E32 L33H29-D31 VanDerWaalsContact C-N 3.29Å; H29-D31 PolarHBondContact O-N 3.32Å; H29-E32 HydrophobicContact CB-CG 4.43Å; H29-E32 IonicContact CD2-OE2 3.64Å; H29-E32 IonicContact CG-OE2 3.98Å; H29-E32 PolarHBondContact N-OE2 3.48Å; H29-E32 PolarHBondContact O-N 2.9Å; H29-E32 VanDerWaalsContact O-N 3.14Å; H29-L33 PolarHBondContact O-N 3.28Å; H29-L33 VanDerWaalsContact O-N 3.07Å
30S86.9Confident87.2Confident47 Ų4776.3 Ų76.333%0.32938%0.381SS..Hα-helixtrans-54.6-42.9-178-168.30000112.7E32 L33 K34S30-E32 VanDerWaalsContact C-N 3.35Å; S30-E32 PolarHBondContact O-N 3.37Å; S30-L33 PolarHBondContact O-N 3.25Å; S30-K34 VanDerWaalsContact O-CG 3.32Å; S30-K34 WeakPolarHBondContact O-CG 3.33Å; S30-K34 PolarHBondContact O-N 3.32Å
31D90.2Very high86.8Confident124 Ų12481.2 Ų81.266%0.66339%0.391SS*.Hα-helixtrans-69.1-33-178.1-61.9-24.8000112.6H29 S35H29-D31 VanDerWaalsContact C-N 3.29Å; H29-D31 PolarHBondContact O-N 3.32Å; D31-S35 VanDerWaalsContact O-CB 3.31Å; D31-S35 WeakPolarHBondContact O-CB 3.39Å; D31-S35 PolarHBondContact O-N 3.42Å
32E88.2Confident86.5Confident98 Ų9881 Ų8146%0.45839%0.388SS..Hα-helixtrans-68.7-45.1175.3-61177123.800110.7M28 H29 S30 S35 L36M28-E32 WeakPolarHBondContact CA-OE2 3.32Å; M28-E32 HydrophobicContact CB-CB 4.23Å; M28-E32 HydrophobicContact CG-CB 4.49Å; H29-E32 HydrophobicContact CB-CG 4.43Å; H29-E32 IonicContact CD2-OE2 3.64Å; H29-E32 IonicContact CG-OE2 3.98Å; H29-E32 PolarHBondContact N-OE2 3.48Å; H29-E32 PolarHBondContact O-N 2.9Å; H29-E32 VanDerWaalsContact O-N 3.14Å; S30-E32 VanDerWaalsContact C-N 3.35Å; S30-E32 PolarHBondContact O-N 3.37Å; E32-S35 PolarHBondContact O-N 2.95Å; E32-L36 WeakPolarHBondContact O-CG 3.19Å; E32-L36 PolarHBondContact O-N 3.01Å
33L86.6Confident86.1Confident3 Ų380.8 Ų80.82%0.01639%0.387CS..Hα-helixtrans-61.6-44.1175.7-70.8173.4000111.5I25 M28 H29 S30 L36 F37 K71 V72 K75I25-L33 HydrophobicContact CB-CD2 3.94Å; I25-L33 HydrophobicContact CG2-CD2 3.96Å; M28-L33 HydrophobicContact CB-CD2 3.9Å; M28-L33 HydrophobicContact CB-CG 3.84Å; M28-L33 HydrophobicContact SD-CD2 3.96Å; H29-L33 PolarHBondContact O-N 3.28Å; H29-L33 VanDerWaalsContact O-N 3.07Å; S30-L33 PolarHBondContact O-N 3.25Å; L33-L36 PolarHBondContact O-N 2.75Å; L33-F37 HydrophobicContact CD2-CE2 4.39Å; L33-F37 WeakPolarHBondContact O-CD2 3.35Å; L33-F37 PolarHBondContact O-N 2.86Å; L33-K71 HydrophobicContact CD1-CG 4.12Å; L33-V72 HydrophobicContact CD2-CG2 4.5Å; L33-K75 HydrophobicContact CD1-CB 4.44Å; L33-K75 HydrophobicContact CD1-CG 3.94Å
34K86.8Confident85.6Confident74 Ų7480.7 Ų80.732%0.32239%0.385SS..Hα-helixtrans-60.1-48.4174.8-73.8176.5-178.6179.60111.6S30 L36 F37 E38 K75S30-K34 VanDerWaalsContact O-CG 3.32Å; S30-K34 WeakPolarHBondContact O-CG 3.33Å; S30-K34 PolarHBondContact O-N 3.32Å; K34-L36 PolarHBondContact O-N 3.1Å; K34-F37 PolarHBondContact O-N 3.12Å; K34-E38 HydrophobicContact CB-CG 4.3Å; K34-E38 WeakPolarHBondContact CG-OE1 3.4Å; K34-E38 VanDerWaalsContact O-CB 3.22Å; K34-E38 WeakPolarHBondContact O-CB 3.46Å; K34-E38 VanDerWaalsContact O-CG 3.3Å; K34-E38 WeakPolarHBondContact O-CG 3.47Å; K34-E38 PolarHBondContact O-N 3.41Å; K34-K75 WeakPolarHBondContact CE-O 3.42Å
35S86.6Confident85.2Confident75 Ų7582.7 Ų82.752%0.52438%0.384SS..Hα-helixtrans-58-34.8178.8-177.10000113.1D31 E32 K39D31-S35 VanDerWaalsContact O-CB 3.31Å; D31-S35 WeakPolarHBondContact O-CB 3.39Å; D31-S35 PolarHBondContact O-N 3.42Å; E32-S35 PolarHBondContact O-N 2.95Å; S35-K39 WeakPolarHBondContact O-CE 3.49Å
36L83Confident85Confident66 Ų6682.9 Ų82.935%0.34639%0.385SS..Hα-helixtrans-76.4-47.9176.7-72170.9000112.7M28 E32 L33 K34 H42M28-L36 HydrophobicContact CE-CD1 3.78Å; M28-L36 HydrophobicContact SD-CD1 3.5Å; M28-L36 VanDerWaalsContact SD-CD1 3.5Å; E32-L36 WeakPolarHBondContact O-CG 3.19Å; E32-L36 PolarHBondContact O-N 3.01Å; L33-L36 PolarHBondContact O-N 2.75Å; K34-L36 PolarHBondContact O-N 3.1Å; L36-H42 WeakPolarHBondContact O-CB 3.37Å; L36-H42 PolarHBondContact O-CD2 3.46Å
37F82Confident84.7Confident22 Ų2278.9 Ų78.910%0.09637%0.367CS..Hα-helixtrans-105-10.1-165.1-70.3-80.4000115.5I25 L33 K34 K39 V43 L46 I68 V72 A79I25-F37 HydrophobicContact CG2-CE2 4.35Å; L33-F37 HydrophobicContact CD2-CE2 4.39Å; L33-F37 WeakPolarHBondContact O-CD2 3.35Å; L33-F37 PolarHBondContact O-N 2.86Å; K34-F37 PolarHBondContact O-N 3.12Å; F37-K39 PolarHBondContact O-N 3.1Å; F37-V43 HydrophobicContact CB-CG2 4.45Å; F37-V43 HydrophobicContact CD1-CG2 4.35Å; F37-V43 WeakPolarHBondContact O-CG2 3.47Å; F37-L46 HydrophobicContact CE1-CD2 3.97Å; F37-I68 HydrophobicContact CE1-CG2 4.4Å; F37-I68 HydrophobicContact CZ-CG2 3.91Å; F37-V72 HydrophobicContact CB-CG1 3.38Å; F37-V72 HydrophobicContact CB-CG2 4.31Å; F37-V72 HydrophobicContact CD1-CG1 4.09Å; F37-V72 HydrophobicContact CD1-CG2 4.05Å; F37-V72 HydrophobicContact CD2-CB 4.3Å; F37-V72 HydrophobicContact CD2-CG1 4Å; F37-V72 HydrophobicContact CD2-CG2 3.26Å; F37-V72 HydrophobicContact CE1-CG2 4.16Å; F37-V72 HydrophobicContact CE2-CG2 3.38Å; F37-V72 HydrophobicContact CG-CB 4.26Å; F37-V72 HydrophobicContact CG-CG1 3.56Å; F37-V72 HydrophobicContact CG-CG2 3.61Å; F37-V72 HydrophobicContact CZ-CG2 3.84Å; F37-A79 HydrophobicContact CB-CB 4.17Å
38E77.4Confident84.4Confident65 Ų6574.8 Ų74.830%0.30436%0.357SS..SBendtrans-74.1-7.6170.2-69.4-172.8-177.200113.1K34 S76 K78K34-E38 HydrophobicContact CB-CG 4.3Å; K34-E38 WeakPolarHBondContact CG-OE1 3.4Å; K34-E38 VanDerWaalsContact O-CB 3.22Å; K34-E38 WeakPolarHBondContact O-CB 3.46Å; K34-E38 VanDerWaalsContact O-CG 3.3Å; K34-E38 WeakPolarHBondContact O-CG 3.47Å; K34-E38 PolarHBondContact O-N 3.41Å; E38-S76 WeakPolarHBondContact CG-OG 3.32Å; E38-S76 PolarHBondContact OE1-OG 2.84Å; E38-K78 HydrophobicContact CB-CD 4.12Å; E38-K78 HydrophobicContact CG-CB 4.26Å; E38-K78 HydrophobicContact CG-CD 4.18Å; E38-K78 HydrophobicContact CG-CG 4.45Å
39K79.7Confident84Confident118 Ų11873.7 Ų73.751%0.51335%0.352SS..SBendtrans-86.3110.6168.6-60.3174.4-173.6167.30108.9S35 F37 R41 H42S35-K39 WeakPolarHBondContact O-CE 3.49Å; F37-K39 PolarHBondContact O-N 3.1Å; K39-R41 PolarHBondContact O-N 3.37Å; K39-H42 PolarHBondContact O-N 3.09Å
40T74.9Confident83.6Confident64 Ų6467 Ų6739%0.39332%0.321SS..Hα-helixtrans-48.6-30.7-178.5-45.50000114.1H42 K44T40-H42 PolarHBondContact O-N 2.9Å; T40-K44 HydrophobicContact CG2-CD 4.04Å; T40-K44 HydrophobicContact CG2-CG 4.27Å; T40-K44 WeakPolarHBondContact O-CB 3.46Å; T40-K44 WeakPolarHBondContact O-CG 3.47Å; T40-K44 PolarHBondContact O-N 3.46Å
41R84.6Confident83.3Confident181 Ų18169.4 Ų69.468%0.68333%0.326SS*.Hα-helixtrans-60.4-41176.8-175.7-179.5179.5-171.60.1113K39 R45K39-R41 PolarHBondContact O-N 3.37Å; R41-R45 WeakPolarHBondContact O-CB 3.48Å; R41-R45 PolarHBondContact O-N 2.9Å; R41-R45 VanDerWaalsContact O-N 3.09Å
42H83.5Confident82.8Confident77 Ų7767.5 Ų67.536%0.35631%0.309SS..Hα-helixtrans-72.7-41.5-177.8-67.6-58000111L36 K39 T40 R45 L46L36-H42 WeakPolarHBondContact O-CB 3.37Å; L36-H42 PolarHBondContact O-CD2 3.46Å; K39-H42 PolarHBondContact O-N 3.09Å; T40-H42 PolarHBondContact O-N 2.9Å; H42-R45 PolarHBondContact O-N 3.16Å; H42-L46 PolarHBondContact O-N 3.28Å
43V83.6Confident82.5Confident1 Ų162.8 Ų62.81%0.00629%0.287CS..Hα-helixtrans-58.7-52.6172.7173.40000111.1F37 R45 L46 I47 M83 A86F37-V43 HydrophobicContact CB-CG2 4.45Å; F37-V43 HydrophobicContact CD1-CG2 4.35Å; F37-V43 WeakPolarHBondContact O-CG2 3.47Å; V43-R45 VanDerWaalsContact C-N 3.27Å; V43-R45 PolarHBondContact O-N 3.09Å; V43-L46 WeakPolarHBondContact O-CB 2.98Å; V43-L46 PolarHBondContact O-N 3.37Å; V43-L46 VanDerWaalsContact O-N 3.11Å; V43-I47 HydrophobicContact CG1-CG1 4.41Å; V43-I47 WeakPolarHBondContact O-CG1 3.33Å; V43-I47 PolarHBondContact O-N 3.35Å; V43-M83 HydrophobicContact CG1-CB 4.21Å; V43-M83 HydrophobicContact CG1-CG 3.42Å; V43-M83 VanDerWaalsContact CG1-CG 3.42Å; V43-M83 HydrophobicContact CG2-CE 4.47Å; V43-M83 HydrophobicContact CG2-CG 4.48Å; V43-A86 HydrophobicContact CG1-CB 4.38Å
44K81.5Confident82.2Confident113 Ų11362.7 Ų62.749%0.49129%0.287SS..Hα-helixtrans-57.4-40.1178.8-75.4-178.9176-179.30112.3T40 I47 Q48 A86T40-K44 HydrophobicContact CG2-CD 4.04Å; T40-K44 HydrophobicContact CG2-CG 4.27Å; T40-K44 WeakPolarHBondContact O-CB 3.46Å; T40-K44 WeakPolarHBondContact O-CG 3.47Å; T40-K44 PolarHBondContact O-N 3.46Å; K44-I47 PolarHBondContact O-N 3.01Å; K44-Q48 WeakPolarHBondContact O-CB 3.36Å; K44-Q48 VanDerWaalsContact O-CG 3.27Å; K44-Q48 WeakPolarHBondContact O-CG 3.39Å; K44-Q48 PolarHBondContact O-N 3.29Å; K44-A86 HydrophobicContact CG-CB 4.36Å
45R84.3Confident82Confident99 Ų9963.6 Ų63.637%0.37430%0.3SS..Hα-helixtrans-67.1-40.2177.5-170.7172.1-175.6172.20.9112.3R41 H42 V43 Q48 L49R41-R45 WeakPolarHBondContact O-CB 3.48Å; R41-R45 PolarHBondContact O-N 2.9Å; R41-R45 VanDerWaalsContact O-N 3.09Å; H42-R45 PolarHBondContact O-N 3.16Å; V43-R45 VanDerWaalsContact C-N 3.27Å; V43-R45 PolarHBondContact O-N 3.09Å; R45-Q48 PolarHBondContact O-N 3.38Å; R45-L49 WeakPolarHBondContact O-CG 3.36Å; R45-L49 PolarHBondContact O-N 2.93Å
46L84.8Confident81.9Confident11 Ų1165.8 Ų65.86%0.05830%0.297CS..Hα-helixtrans-60.9-49.4174.4-18060000110.5F37 H42 V43 Q48 L49 I50 I68 I69 M83F37-L46 HydrophobicContact CE1-CD2 3.97Å; H42-L46 PolarHBondContact O-N 3.28Å; V43-L46 WeakPolarHBondContact O-CB 2.98Å; V43-L46 PolarHBondContact O-N 3.37Å; V43-L46 VanDerWaalsContact O-N 3.11Å; L46-Q48 VanDerWaalsContact C-N 3.29Å; L46-Q48 PolarHBondContact O-N 3.39Å; L46-L49 PolarHBondContact O-N 3.14Å; L46-I50 HydrophobicContact CD1-CD1 3.99Å; L46-I50 HydrophobicContact CD1-CG1 4.39Å; L46-I50 HydrophobicContact CG-CD1 3.84Å; L46-I50 WeakPolarHBondContact O-CB 3.34Å; L46-I50 WeakPolarHBondContact O-CD1 3.19Å; L46-I50 WeakPolarHBondContact O-CG1 3.49Å; L46-I50 PolarHBondContact O-N 3.18Å; L46-I68 HydrophobicContact CD1-CG2 4.37Å; L46-I68 HydrophobicContact CD2-CB 4.45Å; L46-I68 HydrophobicContact CD2-CG2 3.68Å; L46-I69 HydrophobicContact CD2-CG1 3.73Å; L46-I69 HydrophobicContact CG-CG1 4.36Å; L46-M83 HydrophobicContact CD2-CE 4.38Å
47I83.7Confident82Confident4 Ų469.2 Ų69.22%0.02131%0.309CS..Hα-helixtrans-60.7-36.5177.2-59.2-57000112.2V43 K44 I50 K51 I69 A86 I88V43-I47 HydrophobicContact CG1-CG1 4.41Å; V43-I47 WeakPolarHBondContact O-CG1 3.33Å; V43-I47 PolarHBondContact O-N 3.35Å; K44-I47 PolarHBondContact O-N 3.01Å; I47-I50 HydrophobicContact CD1-CD1 4.46Å; I47-I50 WeakPolarHBondContact O-CB 3.04Å; I47-I50 PolarHBondContact O-N 3.07Å; I47-K51 HydrophobicContact CG2-CD 4.1Å; I47-K51 HydrophobicContact CG2-CG 4.4Å; I47-K51 WeakPolarHBondContact O-CB 3.35Å; I47-K51 WeakPolarHBondContact O-CG 3.3Å; I47-K51 PolarHBondContact O-N 3.45Å; I47-I69 HydrophobicContact CD1-CD1 4.32Å; I47-A86 HydrophobicContact CB-CB 4.26Å; I47-A86 HydrophobicContact CG1-CB 3.79Å; I47-A86 HydrophobicContact CG2-CB 4.39Å; I47-A86 WeakPolarHBondContact CG2-O 3.24Å; I47-I88 HydrophobicContact CD1-CB 4.2Å; I47-I88 HydrophobicContact CD1-CD1 3.42Å; I47-I88 VanDerWaalsContact CD1-CD1 3.42Å; I47-I88 HydrophobicContact CD1-CG1 4.34Å
48Q83.7Confident82.3Confident127 Ų12769 Ų6959%0.59331%0.309SS*.Hα-helixtrans-66.2-44.3175.2-77.2173.5-20.500112.9K44 R45 L46 I50 K51 W52K44-Q48 WeakPolarHBondContact O-CB 3.36Å; K44-Q48 VanDerWaalsContact O-CG 3.27Å; K44-Q48 WeakPolarHBondContact O-CG 3.39Å; K44-Q48 PolarHBondContact O-N 3.29Å; R45-Q48 PolarHBondContact O-N 3.38Å; L46-Q48 VanDerWaalsContact C-N 3.29Å; L46-Q48 PolarHBondContact O-N 3.39Å; Q48-I50 PolarHBondContact O-N 2.93Å; Q48-K51 PolarHBondContact O-N 3.48Å; Q48-W52 WeakPolarHBondContact O-CB 3.4Å; Q48-W52 PolarHBondContact O-N 3.24Å
49L81.5Confident82.9Confident39 Ų3970.3 Ų70.320%0.20432%0.315CS..Hα-helixtrans-59-38.9176.1-75.7169.6000111.4R45 L46 W52 S53 M61R45-L49 WeakPolarHBondContact O-CG 3.36Å; R45-L49 PolarHBondContact O-N 2.93Å; L46-L49 PolarHBondContact O-N 3.14Å; L49-W52 WeakPolarHBondContact O-CB 3.31Å; L49-W52 PolarHBondContact O-N 3Å; L49-S53 PolarHBondContact O-N 3.46Å; L49-S53 VanDerWaalsContact O-N 3.1Å; L49-M61 HydrophobicContact CB-CE 4.08Å; L49-M61 HydrophobicContact CD2-CE 4.32Å; L49-M61 WeakPolarHBondContact O-CE 3.24Å
50I81.8Confident83.4Confident0 Ų069.7 Ų69.70%032%0.317CS..Hα-helixtrans-69.1-47.6178.9-72.7173.1000112.1L46 I47 Q48 W52 S53 A54 I69 F91L46-I50 HydrophobicContact CD1-CD1 3.99Å; L46-I50 HydrophobicContact CD1-CG1 4.39Å; L46-I50 HydrophobicContact CG-CD1 3.84Å; L46-I50 WeakPolarHBondContact O-CB 3.34Å; L46-I50 WeakPolarHBondContact O-CD1 3.19Å; L46-I50 WeakPolarHBondContact O-CG1 3.49Å; L46-I50 PolarHBondContact O-N 3.18Å; I47-I50 HydrophobicContact CD1-CD1 4.46Å; I47-I50 WeakPolarHBondContact O-CB 3.04Å; I47-I50 PolarHBondContact O-N 3.07Å; Q48-I50 PolarHBondContact O-N 2.93Å; I50-W52 PolarHBondContact O-N 3.1Å; I50-S53 PolarHBondContact O-N 3.03Å; I50-S53 PolarHBondContact O-OG 3.44Å; I50-A54 PolarHBondContact O-N 3.21Å; I50-A54 VanDerWaalsContact O-N 3.11Å; I50-I69 HydrophobicContact CD1-CD1 3.22Å; I50-I69 HydrophobicContact CD1-CG1 4.13Å; I50-F91 HydrophobicContact CB-CD2 4.5Å; I50-F91 HydrophobicContact CB-CE2 4.33Å; I50-F91 HydrophobicContact CG2-CD1 3.76Å; I50-F91 HydrophobicContact CG2-CD2 3.08Å; I50-F91 HydrophobicContact CG2-CE1 3.56Å; I50-F91 HydrophobicContact CG2-CE2 2.85Å; I50-F91 HydrophobicContact CG2-CG 3.5Å; I50-F91 VanDerWaalsContact CG2-CG 3.5Å; I50-F91 HydrophobicContact CG2-CZ 3.09Å
51K80.5Confident84.1Confident96 Ų9666.7 Ų66.742%0.41730%0.298SS..Hα-helixtrans-60.5-28.3175.2-76.3177.5176.9175.20111.9I47 Q48 P55 A86I47-K51 HydrophobicContact CG2-CD 4.1Å; I47-K51 HydrophobicContact CG2-CG 4.4Å; I47-K51 WeakPolarHBondContact O-CB 3.35Å; I47-K51 WeakPolarHBondContact O-CG 3.3Å; I47-K51 PolarHBondContact O-N 3.45Å; Q48-K51 PolarHBondContact O-N 3.48Å; K51-P55 WeakPolarHBondContact O-CD 3.48Å; K51-A86 PolarHBondContact NZ-O 3.35Å
52W80.3Confident84.4Confident84 Ų8458 Ų5832%0.31827%0.266SS..Hα-helixtrans-75.6-31.6173.7-179.792.3000113.3E11 C14 Q48 L49 I50 R56 M61E11-W52 HydrophobicContact CB-CH2 4.45Å; C14-W52 HydrophobicContact CB-CZ3 4.42Å; Q48-W52 WeakPolarHBondContact O-CB 3.4Å; Q48-W52 PolarHBondContact O-N 3.24Å; L49-W52 WeakPolarHBondContact O-CB 3.31Å; L49-W52 PolarHBondContact O-N 3Å; I50-W52 PolarHBondContact O-N 3.1Å; W52-R56 VanDerWaalsContact CE2-NE 3.3Å; W52-R56 VanDerWaalsContact CZ2-NE 3.3Å; W52-M61 HydrophobicContact CE3-CE 4.1Å; W52-M61 HydrophobicContact CE3-SD 4.27Å; W52-M61 HydrophobicContact CZ3-CE 4.27Å; W52-M61 HydrophobicContact CZ3-SD 4.01Å
53S82.1Confident84.8Confident0 Ų054.8 Ų54.80%025%0.252CS..Hα-helixtrans-83.1-33.2-176.7640000114.1L49 I50 R56 K57 V62L49-S53 PolarHBondContact O-N 3.46Å; L49-S53 VanDerWaalsContact O-N 3.1Å; I50-S53 PolarHBondContact O-N 3.03Å; I50-S53 PolarHBondContact O-OG 3.44Å; S53-R56 PolarHBondContact O-N 3.16Å; S53-K57 PolarHBondContact O-N 2.9Å; S53-V62 WeakPolarHBondContact OG-CG2 3.29Å
54A80.7Confident85.2Confident1 Ų155 Ų551%0.00825%0.254CS..G310 helixtrans-60.6-48.4-176.500000113.9I50 R56 K57 V62 F91 F99I50-A54 PolarHBondContact O-N 3.21Å; I50-A54 VanDerWaalsContact O-N 3.11Å; A54-R56 PolarHBondContact O-N 3.23Å; A54-R56 VanDerWaalsContact O-N 3.16Å; A54-K57 PolarHBondContact O-N 3.11Å; A54-V62 HydrophobicContact CB-CG2 4.49Å; A54-F91 HydrophobicContact CB-CE2 4.35Å; A54-F99 HydrophobicContact CB-CE2 4.18Å
55P81.8Confident85.7Confident92 Ų9249.7 Ų49.760%0.59723%0.23SC*.G310 helixtrans-65.2-20.7178.5-22.134.5000114K51 K57K51-P55 WeakPolarHBondContact O-CD 3.48Å; P55-K57 VanDerWaalsContact C-N 3.28Å
56R85.2Confident86.1Confident122 Ų12245 Ų4546%0.4621%0.213SC..G310 helixtrans-84.3-3177.4-65.2177173.8-116.4-2112.9W52 S53 A54 N58W52-R56 VanDerWaalsContact CE2-NE 3.3Å; W52-R56 VanDerWaalsContact CZ2-NE 3.3Å; S53-R56 PolarHBondContact O-N 3.16Å; A54-R56 PolarHBondContact O-N 3.23Å; A54-R56 VanDerWaalsContact O-N 3.16Å; R56-N58 PolarHBondContact O-N 3.44Å
57K85.2Confident86.6Confident138 Ų13847.3 Ų47.360%0.622%0.223SC*.THydrogen-bonded Turntrans54.433.1-176.5-60-173.1175-173.70113.6S53 A54 P55 E59 F99S53-K57 PolarHBondContact O-N 2.9Å; A54-K57 PolarHBondContact O-N 3.11Å; P55-K57 VanDerWaalsContact C-N 3.28Å; K57-E59 PolarHBondContact O-N 3.4Å; K57-F99 HydrophobicContact CB-CE1 4.11Å
58N86.9Confident87Confident18 Ų1847.3 Ų47.310%0.09622%0.223CC..  trans-80.985176.2-168.8-48000110.4E11 T15 R56 L60 M61 V62E11-N58 WeakPolarHBondContact CG-ND2 3.46Å; E11-N58 WeakPolarHBondContact OE1-CB 3.39Å; E11-N58 PolarHBondContact OE1-ND2 3.21Å; T15-N58 PolarHBondContact OG1-ND2 2.98Å; R56-N58 PolarHBondContact O-N 3.44Å; N58-L60 VanDerWaalsContact C-N 3.28Å; N58-L60 PolarHBondContact O-N 3.01Å; N58-M61 HydrophobicContact CB-CB 4.17Å; N58-M61 PolarHBondContact O-N 3.1Å; N58-M61 WeakPolarHBondContact OD1-CB 3.44Å; N58-M61 PolarHBondContact OD1-N 3.03Å; N58-V62 WeakPolarHBondContact O-CB 3.46Å; N58-V62 WeakPolarHBondContact O-CG2 3.47Å; N58-V62 PolarHBondContact O-N 3.35Å
59E89.7Confident87.4Confident91 Ų9141.2 Ų41.243%0.42520%0.195SC..Hα-helixtrans-56.9-41-175.9-67-160.7178.700112.7K57 V62 S63 F99 I104K57-E59 PolarHBondContact O-N 3.4Å; E59-V62 PolarHBondContact O-N 2.91Å; E59-S63 WeakPolarHBondContact O-CB 3.38Å; E59-S63 PolarHBondContact O-N 3.02Å; E59-F99 HydrophobicContact CG-CD1 3.61Å; E59-F99 HydrophobicContact CG-CE1 3.6Å; E59-I104 HydrophobicContact CB-CD1 3.81Å; E59-I104 HydrophobicContact CG-CD1 3.68Å
60L90.4Very high87.9Confident106 Ų10639.9 Ų39.956%0.55519%0.188SC*.Hα-helixtrans-64.1-45.2-178.6-177.661.4000112.1T15 V19 N58 A64T15-L60 HydrophobicContact CG2-CB 4.04Å; T15-L60 HydrophobicContact CG2-CD2 3.7Å; T15-L60 HydrophobicContact CG2-CG 3.85Å; V19-L60 HydrophobicContact CG2-CD1 3.97Å; V19-L60 HydrophobicContact CG2-CD2 3.99Å; V19-L60 HydrophobicContact CG2-CG 3.7Å; N58-L60 VanDerWaalsContact C-N 3.28Å; N58-L60 PolarHBondContact O-N 3.01Å; L60-A64 VanDerWaalsContact O-CB 3.28Å; L60-A64 WeakPolarHBondContact O-CB 3.36Å; L60-A64 PolarHBondContact O-N 3.46Å
61M89.8Confident88.4Confident0 Ų042.2 Ų42.20%020%0.198CC..Hα-helixtrans-68.7-41.3178.2-174.6173170.600111.3C14 T15 V18 L49 W52 N58 S65C14-M61 HydrophobicContact CB-CE 4.42Å; C14-M61 HydrophobicContact CB-SD 4.32Å; T15-M61 HydrophobicContact CG2-CB 4.1Å; V18-M61 HydrophobicContact CB-CG 4.23Å; V18-M61 HydrophobicContact CG1-CG 4.28Å; V18-M61 HydrophobicContact CG2-CE 3.94Å; V18-M61 HydrophobicContact CG2-CG 4.11Å; L49-M61 HydrophobicContact CB-CE 4.08Å; L49-M61 HydrophobicContact CD2-CE 4.32Å; L49-M61 WeakPolarHBondContact O-CE 3.24Å; W52-M61 HydrophobicContact CE3-CE 4.1Å; W52-M61 HydrophobicContact CE3-SD 4.27Å; W52-M61 HydrophobicContact CZ3-CE 4.27Å; W52-M61 HydrophobicContact CZ3-SD 4.01Å; N58-M61 HydrophobicContact CB-CB 4.17Å; N58-M61 PolarHBondContact O-N 3.1Å; N58-M61 WeakPolarHBondContact OD1-CB 3.44Å; N58-M61 PolarHBondContact OD1-N 3.03Å; M61-S65 VanDerWaalsContact O-CB 3.24Å; M61-S65 WeakPolarHBondContact O-CB 3.42Å; M61-S65 PolarHBondContact O-N 3.26Å; M61-S65 PolarHBondContact O-OG 3.16Å
62V91.2Very high88.7Confident0 Ų037.7 Ų37.70%018%0.178CC..Hα-helixtrans-62.5-50.4176.4168.70000110.4S53 A54 N58 E59 A64 S65 I66 F91 C95 F99 I104S53-V62 WeakPolarHBondContact OG-CG2 3.29Å; A54-V62 HydrophobicContact CB-CG2 4.49Å; N58-V62 WeakPolarHBondContact O-CB 3.46Å; N58-V62 WeakPolarHBondContact O-CG2 3.47Å; N58-V62 PolarHBondContact O-N 3.35Å; E59-V62 PolarHBondContact O-N 2.91Å; V62-A64 PolarHBondContact O-N 3.48Å; V62-S65 PolarHBondContact O-N 3.13Å; V62-S65 VanDerWaalsContact O-N 3.13Å; V62-I66 HydrophobicContact CG1-CD1 3.74Å; V62-I66 HydrophobicContact CG1-CG1 4.44Å; V62-I66 WeakPolarHBondContact O-CG1 3.47Å; V62-I66 PolarHBondContact O-N 2.98Å; V62-F91 HydrophobicContact CG1-CZ 4.23Å; V62-C95 VanDerWaalsContact CG1-SG 3.53Å; V62-F99 HydrophobicContact CB-CE2 4.48Å; V62-F99 HydrophobicContact CB-CZ 4.35Å; V62-F99 HydrophobicContact CG1-CE2 4.18Å; V62-F99 HydrophobicContact CG2-CE2 3.98Å; V62-F99 HydrophobicContact CG2-CZ 3.77Å; V62-I104 HydrophobicContact CG1-CD1 4.27Å; V62-I104 HydrophobicContact CG1-CG2 4.2Å
63S92.6Very high89.1Confident9 Ų933.7 Ų33.76%0.06316%0.163CC..Hα-helixtrans-57.3-51.5179177.50000112E59 S65 I66 E67 E103 K107E59-S63 WeakPolarHBondContact O-CB 3.38Å; E59-S63 PolarHBondContact O-N 3.02Å; S63-S65 VanDerWaalsContact C-N 3.27Å; S63-S65 PolarHBondContact O-N 3.29Å; S63-I66 PolarHBondContact O-N 3.14Å; S63-E67 PolarHBondContact O-N 3.26Å; S63-E67 VanDerWaalsContact O-N 3.08Å; S63-E103 PolarHBondContact OG-OE1 3.38Å; S63-K107 PolarHBondContact OG-NZ 3.4Å
64A92.5Very high89.4Confident6 Ų637.3 Ų37.35%0.0518%0.18CC..Hα-helixtrans-64.2-31.9177.200000112.6V18 V19 L60 V62 I68V18-A64 HydrophobicContact CG1-CB 3.86Å; V19-A64 HydrophobicContact CG2-CB 4.11Å; L60-A64 VanDerWaalsContact O-CB 3.28Å; L60-A64 WeakPolarHBondContact O-CB 3.36Å; L60-A64 PolarHBondContact O-N 3.46Å; V62-A64 PolarHBondContact O-N 3.48Å; A64-I68 VanDerWaalsContact O-CG1 3.27Å; A64-I68 WeakPolarHBondContact O-CG1 3.37Å; A64-I68 PolarHBondContact O-N 2.81Å; A64-I68 VanDerWaalsContact O-N 3.08Å
65S91.9Very high89.6Confident0 Ų041.2 Ų41.20%020%0.197CC..Hα-helixtrans-73-40.7177.3-58.90000112.9V18 M61 V62 S63 E67 I68 I69V18-S65 WeakPolarHBondContact CG1-OG 3.46Å; M61-S65 VanDerWaalsContact O-CB 3.24Å; M61-S65 WeakPolarHBondContact O-CB 3.42Å; M61-S65 PolarHBondContact O-N 3.26Å; M61-S65 PolarHBondContact O-OG 3.16Å; V62-S65 PolarHBondContact O-N 3.13Å; V62-S65 VanDerWaalsContact O-N 3.13Å; S63-S65 VanDerWaalsContact C-N 3.27Å; S63-S65 PolarHBondContact O-N 3.29Å; S65-E67 VanDerWaalsContact C-N 3.26Å; S65-E67 PolarHBondContact O-N 3.18Å; S65-I68 PolarHBondContact O-N 3.04Å; S65-I69 WeakPolarHBondContact O-CD1 3.4Å; S65-I69 VanDerWaalsContact O-CG1 3.31Å; S65-I69 WeakPolarHBondContact O-CG1 3.18Å; S65-I69 PolarHBondContact O-N 3.15Å
66I93Very high89.8Confident0 Ų037 Ų370%017%0.17CC..Hα-helixtrans-61.3-41.7175-64.2162.2000109.6V62 S63 I68 I69 I70 F91 I104 K107 L111V62-I66 HydrophobicContact CG1-CD1 3.74Å; V62-I66 HydrophobicContact CG1-CG1 4.44Å; V62-I66 WeakPolarHBondContact O-CG1 3.47Å; V62-I66 PolarHBondContact O-N 2.98Å; S63-I66 PolarHBondContact O-N 3.14Å; I66-I68 PolarHBondContact O-N 2.86Å; I66-I69 WeakPolarHBondContact O-CB 3.19Å; I66-I69 PolarHBondContact O-N 3.42Å; I66-I69 VanDerWaalsContact O-N 3.13Å; I66-I70 HydrophobicContact CG2-CD1 3.77Å; I66-I70 HydrophobicContact CG2-CG1 4.27Å; I66-I70 WeakPolarHBondContact O-CG1 3.47Å; I66-I70 PolarHBondContact O-N 3.31Å; I66-F91 HydrophobicContact CD1-CE1 4.44Å; I66-F91 HydrophobicContact CD1-CZ 4.2Å; I66-F91 HydrophobicContact CG1-CE1 3.81Å; I66-F91 HydrophobicContact CG1-CZ 3.84Å; I66-I104 HydrophobicContact CD1-CG2 4.21Å; I66-K107 HydrophobicContact CB-CB 4.33Å; I66-K107 HydrophobicContact CD1-CB 4.45Å; I66-K107 HydrophobicContact CG2-CB 3.69Å; I66-L111 HydrophobicContact CG2-CB 4.25Å; I66-L111 HydrophobicContact CG2-CD2 4.12Å
67E93.6Very high89.6Confident60 Ų6035 Ų3528%0.2817%0.174SC..Hα-helixtrans-60.6-42.1175.6-174.3175.8-158.200112.6S22 H26 S63 S65 I69 I70 K71S22-E67 WeakPolarHBondContact OG-CG 3.5Å; S22-E67 PolarHBondContact OG-OE2 3.03Å; H26-E67 IonicContact CD2-OE1 3.65Å; H26-E67 IonicContact CE1-OE1 3.65Å; H26-E67 VanDerWaalsContact NE2-CD 3.33Å; H26-E67 IonicContact NE2-OE1 2.71Å; H26-E67 PolarHBondContact NE2-OE1 3.44Å; S63-E67 PolarHBondContact O-N 3.26Å; S63-E67 VanDerWaalsContact O-N 3.08Å; S65-E67 VanDerWaalsContact C-N 3.26Å; S65-E67 PolarHBondContact O-N 3.18Å; E67-I69 VanDerWaalsContact C-N 3.32Å; E67-I69 PolarHBondContact O-N 2.79Å; E67-I70 PolarHBondContact O-N 3.45Å; E67-K71 PolarHBondContact O-N 3.25Å; E67-K71 VanDerWaalsContact O-N 3.1Å
68I92.6Very high89.5Confident4 Ų433.8 Ų33.82%0.02117%0.169CC..Hα-helixtrans-57.6-46.7172.4-67.6162.6000111.1V18 M21 I25 F37 L46 A64 S65 I66 K71 V72V18-I68 HydrophobicContact CG1-CD1 4.07Å; M21-I68 HydrophobicContact CB-CD1 3.91Å; I25-I68 HydrophobicContact CD1-CB 4.3Å; I25-I68 HydrophobicContact CD1-CG1 4.07Å; I25-I68 HydrophobicContact CG1-CG1 4.04Å; I25-I68 HydrophobicContact CG2-CG2 4.44Å; F37-I68 HydrophobicContact CE1-CG2 4.4Å; F37-I68 HydrophobicContact CZ-CG2 3.91Å; L46-I68 HydrophobicContact CD1-CG2 4.37Å; L46-I68 HydrophobicContact CD2-CB 4.45Å; L46-I68 HydrophobicContact CD2-CG2 3.68Å; A64-I68 VanDerWaalsContact O-CG1 3.27Å; A64-I68 WeakPolarHBondContact O-CG1 3.37Å; A64-I68 PolarHBondContact O-N 2.81Å; A64-I68 VanDerWaalsContact O-N 3.08Å; S65-I68 PolarHBondContact O-N 3.04Å; I66-I68 PolarHBondContact O-N 2.86Å; I68-K71 PolarHBondContact O-N 3Å; I68-V72 HydrophobicContact CG2-CG2 4.41Å; I68-V72 WeakPolarHBondContact O-CB 3.4Å; I68-V72 WeakPolarHBondContact O-CG2 3.48Å; I68-V72 PolarHBondContact O-N 3.47Å; I68-V72 VanDerWaalsContact O-N 3.13Å
69I92.2Very high89.3Confident0 Ų032.9 Ų32.90%016%0.164CC..Hα-helixtrans-62.6-51.1-178.7-67.9162.5000110.6L46 I47 I50 S65 I66 E67 K71 V72 I73 M83 I88 L111L46-I69 HydrophobicContact CD2-CG1 3.73Å; L46-I69 HydrophobicContact CG-CG1 4.36Å; I47-I69 HydrophobicContact CD1-CD1 4.32Å; I50-I69 HydrophobicContact CD1-CD1 3.22Å; I50-I69 HydrophobicContact CD1-CG1 4.13Å; S65-I69 WeakPolarHBondContact O-CD1 3.4Å; S65-I69 VanDerWaalsContact O-CG1 3.31Å; S65-I69 WeakPolarHBondContact O-CG1 3.18Å; S65-I69 PolarHBondContact O-N 3.15Å; I66-I69 WeakPolarHBondContact O-CB 3.19Å; I66-I69 PolarHBondContact O-N 3.42Å; I66-I69 VanDerWaalsContact O-N 3.13Å; E67-I69 VanDerWaalsContact C-N 3.32Å; E67-I69 PolarHBondContact O-N 2.79Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.24Å; I69-V72 PolarHBondContact O-N 2.98Å; I69-V72 VanDerWaalsContact O-N 3.08Å; I69-I73 HydrophobicContact CG2-CG2 4.4Å; I69-I73 WeakPolarHBondContact O-CG1 3.2Å; I69-I73 PolarHBondContact O-N 3.5Å; I69-M83 HydrophobicContact CB-CE 4.34Å; I69-M83 HydrophobicContact CB-SD 4.39Å; I69-M83 HydrophobicContact CG1-CE 4.21Å; I69-M83 HydrophobicContact CG2-CE 4.12Å; I69-M83 HydrophobicContact CG2-SD 3.54Å; I69-M83 VanDerWaalsContact CG2-SD 3.54Å; I69-I88 HydrophobicContact CD1-CD1 3.44Å; I69-I88 VanDerWaalsContact CD1-CD1 3.44Å; I69-I88 HydrophobicContact CG1-CD1 4.46Å; I69-I88 HydrophobicContact CG2-CD1 4.24Å; I69-L111 HydrophobicContact CB-CD1 4.42Å; I69-L111 HydrophobicContact CG2-CD1 3.37Å; I69-L111 HydrophobicContact CG2-CD2 3.87Å; I69-L111 HydrophobicContact CG2-CG 4.29Å
70I92.7Very high89.1Confident11 Ų1128.6 Ų28.66%0.05615%0.145CC..Hα-helixtrans-51.4-52.4179.3-74.7168.6000109.9I66 E67 V72 I73 E74 E110 L111I66-I70 HydrophobicContact CG2-CD1 3.77Å; I66-I70 HydrophobicContact CG2-CG1 4.27Å; I66-I70 WeakPolarHBondContact O-CG1 3.47Å; I66-I70 PolarHBondContact O-N 3.31Å; E67-I70 PolarHBondContact O-N 3.45Å; I70-V72 VanDerWaalsContact C-N 3.27Å; I70-V72 PolarHBondContact O-N 2.88Å; I70-I73 WeakPolarHBondContact O-CG1 3.49Å; I70-I73 PolarHBondContact O-N 2.94Å; I70-E74 WeakPolarHBondContact O-CG 3.27Å; I70-E74 PolarHBondContact O-N 3.47Å; I70-E74 VanDerWaalsContact O-N 3.11Å; I70-E110 HydrophobicContact CD1-CB 4.13Å; I70-E110 HydrophobicContact CD1-CG 4Å; I70-L111 HydrophobicContact CD1-CB 4.26Å; I70-L111 HydrophobicContact CG1-CB 3.93Å; I70-L111 HydrophobicContact CG1-CD1 4.15Å
71K91.1Very high88.7Confident48 Ų4826.5 Ų26.521%0.20914%0.136CC..Hα-helixtrans-61.6-36.8-178.4-168.863.4168.5-1640113I25 L33 E67 I68 I69 K75I25-K71 HydrophobicContact CD1-CB 3.47Å; I25-K71 VanDerWaalsContact CD1-CB 3.47Å; I25-K71 HydrophobicContact CD1-CG 3.79Å; L33-K71 HydrophobicContact CD1-CG 4.12Å; E67-K71 PolarHBondContact O-N 3.25Å; E67-K71 VanDerWaalsContact O-N 3.1Å; I68-K71 PolarHBondContact O-N 3Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 3.24Å; K71-K75 WeakPolarHBondContact O-CG 3.48Å
72V88.1Confident88.4Confident1 Ų127 Ų271%0.00614%0.14CC..Hα-helixtrans-71.4-45.4-178.6166.30000111.3L33 F37 I68 I69 I70 E74 K75 S76 A79 M83L33-V72 HydrophobicContact CD2-CG2 4.5Å; F37-V72 HydrophobicContact CB-CG1 3.38Å; F37-V72 HydrophobicContact CB-CG2 4.31Å; F37-V72 HydrophobicContact CD1-CG1 4.09Å; F37-V72 HydrophobicContact CD1-CG2 4.05Å; F37-V72 HydrophobicContact CD2-CB 4.3Å; F37-V72 HydrophobicContact CD2-CG1 4Å; F37-V72 HydrophobicContact CD2-CG2 3.26Å; F37-V72 HydrophobicContact CE1-CG2 4.16Å; F37-V72 HydrophobicContact CE2-CG2 3.38Å; F37-V72 HydrophobicContact CG-CB 4.26Å; F37-V72 HydrophobicContact CG-CG1 3.56Å; F37-V72 HydrophobicContact CG-CG2 3.61Å; F37-V72 HydrophobicContact CZ-CG2 3.84Å; I68-V72 HydrophobicContact CG2-CG2 4.41Å; I68-V72 WeakPolarHBondContact O-CB 3.4Å; I68-V72 WeakPolarHBondContact O-CG2 3.48Å; I68-V72 PolarHBondContact O-N 3.47Å; I68-V72 VanDerWaalsContact O-N 3.13Å; I69-V72 PolarHBondContact O-N 2.98Å; I69-V72 VanDerWaalsContact O-N 3.08Å; I70-V72 VanDerWaalsContact C-N 3.27Å; I70-V72 PolarHBondContact O-N 2.88Å; V72-E74 VanDerWaalsContact C-N 3.31Å; V72-E74 PolarHBondContact O-N 3.31Å; V72-K75 PolarHBondContact O-N 3.39Å; V72-K75 VanDerWaalsContact O-N 3.12Å; V72-S76 PolarHBondContact O-N 3.44Å; V72-A79 HydrophobicContact CG1-CB 3.53Å; V72-M83 HydrophobicContact CB-CE 3.96Å; V72-M83 HydrophobicContact CG1-CE 3.56Å
73I88.3Confident88.1Confident1 Ų127 Ų271%0.00514%0.14CC..Hα-helixtrans-69.1-30.4-179.164.4172.7000112.3I69 I70 K75 C80 M83 L111 N114 L115I69-I73 HydrophobicContact CG2-CG2 4.4Å; I69-I73 WeakPolarHBondContact O-CG1 3.2Å; I69-I73 PolarHBondContact O-N 3.5Å; I70-I73 WeakPolarHBondContact O-CG1 3.49Å; I70-I73 PolarHBondContact O-N 2.94Å; I73-K75 PolarHBondContact O-N 2.87Å; I73-C80 HydrophobicContact CB-CB 4.06Å; I73-C80 HydrophobicContact CG2-CB 3.97Å; I73-M83 HydrophobicContact CG2-CE 4.28Å; I73-M83 HydrophobicContact CG2-SD 3.25Å; I73-M83 WeakPolarHBondContact CG2-SD 3.5Å; I73-L111 HydrophobicContact CD1-CD1 3.44Å; I73-L111 VanDerWaalsContact CD1-CD1 3.44Å; I73-N114 HydrophobicContact CD1-CB 3.5Å; I73-N114 HydrophobicContact CG1-CB 4.21Å; I73-L115 HydrophobicContact CD1-CD2 3.84Å; I73-L115 HydrophobicContact CD1-CG 4.01Å; I73-L115 HydrophobicContact CG2-CD2 4.36Å
74E87.7Confident87.6Confident75 Ų7527.3 Ų27.335%0.3514%0.14SC..THydrogen-bonded Turntrans-60.6-23.1172.2-78.2179.3176.400113.4I70 V72I70-E74 WeakPolarHBondContact O-CG 3.27Å; I70-E74 PolarHBondContact O-N 3.47Å; I70-E74 VanDerWaalsContact O-N 3.11Å; V72-E74 VanDerWaalsContact C-N 3.31Å; V72-E74 PolarHBondContact O-N 3.31Å
75K86Confident87Confident83 Ų8332.7 Ų32.736%0.36117%0.168SC..THydrogen-bonded Turntrans-111.8-15.9-174.5-55-57170.3-156.30113.6L33 K34 K71 V72 I73L33-K75 HydrophobicContact CD1-CB 4.44Å; L33-K75 HydrophobicContact CD1-CG 3.94Å; K34-K75 WeakPolarHBondContact CE-O 3.42Å; K71-K75 WeakPolarHBondContact O-CG 3.48Å; V72-K75 PolarHBondContact O-N 3.39Å; V72-K75 VanDerWaalsContact O-N 3.12Å; I73-K75 PolarHBondContact O-N 2.87Å
76S84.4Confident86.4Confident4 Ų433.4 Ų33.43%0.02818%0.175CC..  trans-144.9109.1-178.8-176.20000112.5E38 V72 K78 A79 C80E38-S76 WeakPolarHBondContact CG-OG 3.32Å; E38-S76 PolarHBondContact OE1-OG 2.84Å; V72-S76 PolarHBondContact O-N 3.44Å; S76-K78 PolarHBondContact O-N 3.17Å; S76-A79 PolarHBondContact O-N 2.71Å; S76-A79 VanDerWaalsContact O-N 3.16Å; S76-A79 PolarHBondContact OG-N 3.42Å; S76-C80 PolarHBondContact O-N 3.34Å
77S82.2Confident85.9Confident79 Ų7934 Ų3455%0.55218%0.181SC*.Hα-helixtrans-59.9-36.1171.655.50000112A79 C80 T81S77-A79 VanDerWaalsContact C-N 3.34Å; S77-A79 PolarHBondContact O-N 2.88Å; S77-C80 VanDerWaalsContact O-CB 3.24Å; S77-C80 WeakPolarHBondContact O-CB 3.38Å; S77-C80 PolarHBondContact O-N 3.18Å; S77-T81 PolarHBondContact O-N 2.88Å; S77-T81 PolarHBondContact O-OG1 3.08Å
78K82.7Confident85.5Confident113 Ų11331.2 Ų31.249%0.49117%0.168SC..Hα-helixtrans-64.8-37.3175.7-178175.4175.4-175.40112.7E38 S76 S82E38-K78 HydrophobicContact CB-CD 4.12Å; E38-K78 HydrophobicContact CG-CB 4.26Å; E38-K78 HydrophobicContact CG-CD 4.18Å; E38-K78 HydrophobicContact CG-CG 4.45Å; S76-K78 PolarHBondContact O-N 3.17Å; K78-S82 WeakPolarHBondContact O-CB 3.44Å; K78-S82 PolarHBondContact O-N 3.23Å; K78-S82 PolarHBondContact O-OG 3.47Å
79A83.7Confident85Confident0 Ų031.6 Ų31.60%017%0.17CC..Hα-helixtrans-67.6-39.3173.100000111.1F37 V72 S76 S77 S82 M83F37-A79 HydrophobicContact CB-CB 4.17Å; V72-A79 HydrophobicContact CG1-CB 3.53Å; S76-A79 PolarHBondContact O-N 2.71Å; S76-A79 VanDerWaalsContact O-N 3.16Å; S76-A79 PolarHBondContact OG-N 3.42Å; S77-A79 VanDerWaalsContact C-N 3.34Å; S77-A79 PolarHBondContact O-N 2.88Å; A79-S82 PolarHBondContact O-N 2.71Å; A79-M83 WeakPolarHBondContact O-CB 3.4Å; A79-M83 VanDerWaalsContact O-CG 3.25Å; A79-M83 WeakPolarHBondContact O-CG 3.48Å; A79-M83 PolarHBondContact O-N 3.46Å
80C85.2Confident84.5Confident1 Ų137.2 Ų37.21%0.00720%0.198CC..Hα-helixtrans-54.6-54.8172.7-178.70000111.6I73 S76 S77 S82 M83 I84 L115 M118I73-C80 HydrophobicContact CB-CB 4.06Å; I73-C80 HydrophobicContact CG2-CB 3.97Å; S76-C80 PolarHBondContact O-N 3.34Å; S77-C80 VanDerWaalsContact O-CB 3.24Å; S77-C80 WeakPolarHBondContact O-CB 3.38Å; S77-C80 PolarHBondContact O-N 3.18Å; C80-S82 VanDerWaalsContact C-N 3.33Å; C80-S82 PolarHBondContact O-N 3.46Å; C80-M83 WeakPolarHBondContact O-CB 3.4Å; C80-M83 PolarHBondContact O-N 2.89Å; C80-M83 VanDerWaalsContact O-N 3.11Å; C80-I84 PolarHBondContact O-N 2.93Å; C80-I84 VanDerWaalsContact O-N 3.16Å; C80-L115 WeakPolarHBondContact SG-CD2 3.17Å; C80-M118 HydrophobicContact CB-CB 4.44Å
81T81.6Confident84.2Confident61 Ų6136.9 Ų36.937%0.37420%0.196SC..Hα-helixtrans-56.7-46.2175.7-50.50000111.7S77 M83 I84 D85S77-T81 PolarHBondContact O-N 2.88Å; S77-T81 PolarHBondContact O-OG1 3.08Å; T81-M83 PolarHBondContact O-N 3.03Å; T81-I84 PolarHBondContact O-N 2.82Å; T81-I84 VanDerWaalsContact O-N 3.15Å; T81-D85 PolarHBondContact O-N 2.74Å
82S82.6Confident84Confident12 Ų1234.7 Ų34.78%0.08419%0.187CC..Hα-helixtrans-62.6-29.5179.4-61.50000113.6K78 A79 C80 A86K78-S82 WeakPolarHBondContact O-CB 3.44Å; K78-S82 PolarHBondContact O-N 3.23Å; K78-S82 PolarHBondContact O-OG 3.47Å; A79-S82 PolarHBondContact O-N 2.71Å; C80-S82 VanDerWaalsContact C-N 3.33Å; C80-S82 PolarHBondContact O-N 3.46Å; S82-A86 WeakPolarHBondContact O-CB 3.31Å; S82-A86 PolarHBondContact O-N 2.95Å
83M86.2Confident83.6Confident0 Ų035.3 Ų35.30%019%0.191CC..Hα-helixtrans-75-36.1177.4-76.2171.7176.100111.7V43 L46 I69 V72 I73 A79 C80 T81 A86 G87 I88V43-M83 HydrophobicContact CG1-CB 4.21Å; V43-M83 HydrophobicContact CG1-CG 3.42Å; V43-M83 VanDerWaalsContact CG1-CG 3.42Å; V43-M83 HydrophobicContact CG2-CE 4.47Å; V43-M83 HydrophobicContact CG2-CG 4.48Å; L46-M83 HydrophobicContact CD2-CE 4.38Å; I69-M83 HydrophobicContact CB-CE 4.34Å; I69-M83 HydrophobicContact CB-SD 4.39Å; I69-M83 HydrophobicContact CG1-CE 4.21Å; I69-M83 HydrophobicContact CG2-CE 4.12Å; I69-M83 HydrophobicContact CG2-SD 3.54Å; I69-M83 VanDerWaalsContact CG2-SD 3.54Å; V72-M83 HydrophobicContact CB-CE 3.96Å; V72-M83 HydrophobicContact CG1-CE 3.56Å; I73-M83 HydrophobicContact CG2-CE 4.28Å; I73-M83 HydrophobicContact CG2-SD 3.25Å; I73-M83 WeakPolarHBondContact CG2-SD 3.5Å; A79-M83 WeakPolarHBondContact O-CB 3.4Å; A79-M83 VanDerWaalsContact O-CG 3.25Å; A79-M83 WeakPolarHBondContact O-CG 3.48Å; A79-M83 PolarHBondContact O-N 3.46Å; C80-M83 WeakPolarHBondContact O-CB 3.4Å; C80-M83 PolarHBondContact O-N 2.89Å; C80-M83 VanDerWaalsContact O-N 3.11Å; T81-M83 PolarHBondContact O-N 3.03Å; M83-A86 PolarHBondContact O-N 3Å; M83-G87 PolarHBondContact O-N 3.35Å; M83-I88 HydrophobicContact CB-CB 4.22Å; M83-I88 HydrophobicContact CB-CG2 4.16Å; M83-I88 VanDerWaalsContact O-CB 3.3Å; M83-I88 WeakPolarHBondContact O-CB 3.14Å; M83-I88 WeakPolarHBondContact O-CG2 3.41Å; M83-I88 PolarHBondContact O-N 3.21Å
84I82.1Confident83.4Confident14 Ų1436.9 Ų36.97%0.07220%0.203CC..Hα-helixtrans-64.7-50.2174.3-65.7162.7000110C80 T81 A86 G87 I88 L115 L119C80-I84 PolarHBondContact O-N 2.93Å; C80-I84 VanDerWaalsContact O-N 3.16Å; T81-I84 PolarHBondContact O-N 2.82Å; T81-I84 VanDerWaalsContact O-N 3.15Å; I84-A86 PolarHBondContact O-N 3.2Å; I84-A86 VanDerWaalsContact O-N 3.13Å; I84-G87 WeakPolarHBondContact O-CA 3.33Å; I84-G87 PolarHBondContact O-N 3.31Å; I84-I88 HydrophobicContact CG1-CG2 4.08Å; I84-L115 HydrophobicContact CD1-CD2 4.37Å; I84-L115 HydrophobicContact CG1-CD2 4.3Å; I84-L119 HydrophobicContact CD1-CD1 3.35Å; I84-L119 HydrophobicContact CD1-CD2 3.07Å; I84-L119 HydrophobicContact CD1-CG 3.69Å
85D78.7Confident83.3Confident119 Ų11933.3 Ų33.364%0.63619%0.186SC*.Hα-helixtrans-57.5-30.6174.9-66.1-16.3000112.6T81 G87T81-D85 PolarHBondContact O-N 2.74Å; D85-G87 VanDerWaalsContact C-N 3.26Å; D85-G87 PolarHBondContact O-N 3.46Å
86A80.9Confident83.1Confident16 Ų1629.4 Ų29.413%0.13217%0.169CC..THydrogen-bonded Turntrans-80.3-5.1176.700000113.6V43 K44 I47 K51 S82 M83 I84V43-A86 HydrophobicContact CG1-CB 4.38Å; K44-A86 HydrophobicContact CG-CB 4.36Å; I47-A86 HydrophobicContact CB-CB 4.26Å; I47-A86 HydrophobicContact CG1-CB 3.79Å; I47-A86 HydrophobicContact CG2-CB 4.39Å; I47-A86 WeakPolarHBondContact CG2-O 3.24Å; K51-A86 PolarHBondContact NZ-O 3.35Å; S82-A86 WeakPolarHBondContact O-CB 3.31Å; S82-A86 PolarHBondContact O-N 2.95Å; M83-A86 PolarHBondContact O-N 3Å; I84-A86 PolarHBondContact O-N 3.2Å; I84-A86 VanDerWaalsContact O-N 3.13Å
87G81.4Confident83Confident13 Ų1334.9 Ų34.913%0.13419%0.194CC..THydrogen-bonded Turntrans83.940.5177.500000113.7M83 I84 D85 I89 I90 F91M83-G87 PolarHBondContact O-N 3.35Å; I84-G87 WeakPolarHBondContact O-CA 3.33Å; I84-G87 PolarHBondContact O-N 3.31Å; D85-G87 VanDerWaalsContact C-N 3.26Å; D85-G87 PolarHBondContact O-N 3.46Å; G87-I89 PolarHBondContact O-N 3.05Å; G87-I90 PolarHBondContact O-N 2.99Å; G87-F91 PolarHBondContact O-N 2.95Å
88I85.8Confident83.1Confident0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-59.6-34.2175-17166.4000112.2I47 I69 M83 I84 I90 F91 I92 L111 L115I47-I88 HydrophobicContact CD1-CB 4.2Å; I47-I88 HydrophobicContact CD1-CD1 3.42Å; I47-I88 VanDerWaalsContact CD1-CD1 3.42Å; I47-I88 HydrophobicContact CD1-CG1 4.34Å; I69-I88 HydrophobicContact CD1-CD1 3.44Å; I69-I88 VanDerWaalsContact CD1-CD1 3.44Å; I69-I88 HydrophobicContact CG1-CD1 4.46Å; I69-I88 HydrophobicContact CG2-CD1 4.24Å; M83-I88 HydrophobicContact CB-CB 4.22Å; M83-I88 HydrophobicContact CB-CG2 4.16Å; M83-I88 VanDerWaalsContact O-CB 3.3Å; M83-I88 WeakPolarHBondContact O-CB 3.14Å; M83-I88 WeakPolarHBondContact O-CG2 3.41Å; M83-I88 PolarHBondContact O-N 3.21Å; I84-I88 HydrophobicContact CG1-CG2 4.08Å; I88-I90 PolarHBondContact O-N 3.3Å; I88-F91 HydrophobicContact CD1-CD1 3.53Å; I88-F91 HydrophobicContact CD1-CE1 4.19Å; I88-F91 HydrophobicContact CD1-CG 4.43Å; I88-F91 HydrophobicContact CG1-CD1 4.49Å; I88-F91 WeakPolarHBondContact O-CA 3.25Å; I88-F91 WeakPolarHBondContact O-CB 3.25Å; I88-F91 PolarHBondContact O-N 2.96Å; I88-F91 VanDerWaalsContact O-N 3.1Å; I88-I92 HydrophobicContact CG1-CD1 4.2Å; I88-I92 HydrophobicContact CG1-CG1 4.42Å; I88-I92 WeakPolarHBondContact O-CG1 3.07Å; I88-I92 PolarHBondContact O-N 3.06Å; I88-L111 HydrophobicContact CD1-CD2 4.09Å; I88-L111 HydrophobicContact CG1-CD2 4.02Å; I88-L115 HydrophobicContact CG2-CD1 3.84Å
89I82.3Confident83.2Confident13 Ų1328.9 Ų28.97%0.06716%0.161CC..Hα-helixtrans-65.4-40.5-178.9-54.5-57.4000112.1G87 F91 I92 S93 L112 L115 V127 N132G87-I89 PolarHBondContact O-N 3.05Å; I89-F91 VanDerWaalsContact C-N 3.26Å; I89-F91 PolarHBondContact O-N 3.11Å; I89-I92 HydrophobicContact CD1-CD1 4.39Å; I89-I92 PolarHBondContact O-N 3.39Å; I89-S93 PolarHBondContact O-N 3.3Å; I89-S93 PolarHBondContact O-OG 2.91Å; I89-L112 HydrophobicContact CD1-CD2 4.11Å; I89-L115 HydrophobicContact CD1-CD1 3.68Å; I89-V127 HydrophobicContact CD1-CB 4.49Å; I89-V127 HydrophobicContact CD1-CG1 4.06Å; I89-V127 HydrophobicContact CD1-CG2 3.9Å; I89-V127 HydrophobicContact CG1-CG2 4.16Å; I89-N132 HydrophobicContact CG2-CB 4.35Å; I89-N132 VanDerWaalsContact CG2-CG 3.45Å; I89-N132 WeakPolarHBondContact CG2-ND2 3.28Å
90I81.2Confident83.2Confident117 Ų11733.1 Ų33.160%0.620%0.196SC*.Hα-helixtrans-62.6-38.4174.1-61171.6000110G87 I88 S94G87-I90 PolarHBondContact O-N 2.99Å; I88-I90 PolarHBondContact O-N 3.3Å; I90-S94 WeakPolarHBondContact O-CB 3.41Å; I90-S94 PolarHBondContact O-N 2.87Å
91F85.5Confident83.2Confident4 Ų434.3 Ų34.32%0.01821%0.205CC..Hα-helixtrans-65-46.9175.1159-106.1000112.2I50 A54 V62 I66 G87 I88 I89 S93 S94 C95I50-F91 HydrophobicContact CB-CD2 4.5Å; I50-F91 HydrophobicContact CB-CE2 4.33Å; I50-F91 HydrophobicContact CG2-CD1 3.76Å; I50-F91 HydrophobicContact CG2-CD2 3.08Å; I50-F91 HydrophobicContact CG2-CE1 3.56Å; I50-F91 HydrophobicContact CG2-CE2 2.85Å; I50-F91 HydrophobicContact CG2-CG 3.5Å; I50-F91 VanDerWaalsContact CG2-CG 3.5Å; I50-F91 HydrophobicContact CG2-CZ 3.09Å; A54-F91 HydrophobicContact CB-CE2 4.35Å; V62-F91 HydrophobicContact CG1-CZ 4.23Å; I66-F91 HydrophobicContact CD1-CE1 4.44Å; I66-F91 HydrophobicContact CD1-CZ 4.2Å; I66-F91 HydrophobicContact CG1-CE1 3.81Å; I66-F91 HydrophobicContact CG1-CZ 3.84Å; G87-F91 PolarHBondContact O-N 2.95Å; I88-F91 HydrophobicContact CD1-CD1 3.53Å; I88-F91 HydrophobicContact CD1-CE1 4.19Å; I88-F91 HydrophobicContact CD1-CG 4.43Å; I88-F91 HydrophobicContact CG1-CD1 4.49Å; I88-F91 WeakPolarHBondContact O-CA 3.25Å; I88-F91 WeakPolarHBondContact O-CB 3.25Å; I88-F91 PolarHBondContact O-N 2.96Å; I88-F91 VanDerWaalsContact O-N 3.1Å; I89-F91 VanDerWaalsContact C-N 3.26Å; I89-F91 PolarHBondContact O-N 3.11Å; F91-S93 VanDerWaalsContact C-N 3.28Å; F91-S93 PolarHBondContact O-N 2.63Å; F91-S94 CarbonylContact O-C 3.6Å; F91-S94 WeakPolarHBondContact O-CB 3.24Å; F91-S94 PolarHBondContact O-N 3.34Å; F91-S94 VanDerWaalsContact O-N 3.1Å; F91-C95 WeakPolarHBondContact CE2-SG 3.48Å; F91-C95 WeakPolarHBondContact CZ-SG 3.48Å; F91-C95 PolarHBondContact O-N 3.5Å
92I86.8Confident83.4Confident3 Ų336.1 Ų36.12%0.01521%0.212CC..Hα-helixtrans-57.7-46.1178.4-66.3166.7000109.9I88 I89 S94 C95 V96 C108 L111 L112 L115I88-I92 HydrophobicContact CG1-CD1 4.2Å; I88-I92 HydrophobicContact CG1-CG1 4.42Å; I88-I92 WeakPolarHBondContact O-CG1 3.07Å; I88-I92 PolarHBondContact O-N 3.06Å; I89-I92 HydrophobicContact CD1-CD1 4.39Å; I89-I92 PolarHBondContact O-N 3.39Å; I92-S94 VanDerWaalsContact C-N 3.35Å; I92-S94 PolarHBondContact O-N 3.13Å; I92-C95 WeakPolarHBondContact O-CB 3.22Å; I92-C95 PolarHBondContact O-N 2.99Å; I92-C95 VanDerWaalsContact O-N 3.12Å; I92-V96 WeakPolarHBondContact O-CG2 3.42Å; I92-V96 PolarHBondContact O-N 2.78Å; I92-V96 VanDerWaalsContact O-N 3.09Å; I92-C108 HydrophobicContact CG2-CB 3.9Å; I92-L111 HydrophobicContact CD1-CB 4.41Å; I92-L111 HydrophobicContact CD1-CD2 3.59Å; I92-L111 HydrophobicContact CD1-CG 3.69Å; I92-L111 HydrophobicContact CG1-CD2 3.79Å; I92-L111 HydrophobicContact CG1-CG 4.39Å; I92-L112 HydrophobicContact CD1-CD2 3.67Å; I92-L112 HydrophobicContact CD1-CG 3.87Å; I92-L112 HydrophobicContact CG2-CD1 3.74Å; I92-L112 HydrophobicContact CG2-CD2 4.17Å; I92-L112 HydrophobicContact CG2-CG 3.87Å; I92-L115 HydrophobicContact CD1-CD1 3.95Å
93S81Confident83.8Confident13 Ų1340.3 Ų40.39%0.09123%0.23CC..Hα-helixtrans-54.9-48.8174.4-66.70000112I89 F91 C95 V96 E97 N135I89-S93 PolarHBondContact O-N 3.3Å; I89-S93 PolarHBondContact O-OG 2.91Å; F91-S93 VanDerWaalsContact C-N 3.28Å; F91-S93 PolarHBondContact O-N 2.63Å; S93-C95 VanDerWaalsContact C-N 3.33Å; S93-C95 PolarHBondContact O-N 3.26Å; S93-V96 PolarHBondContact O-N 3.47Å; S93-E97 WeakPolarHBondContact O-CG 3.37Å; S93-E97 PolarHBondContact O-N 3.33Å; S93-N135 WeakPolarHBondContact CB-ND2 3.49Å; S93-N135 PolarHBondContact OG-ND2 3.29Å
94S82.8Confident84Confident35 Ų3540.4 Ų40.425%0.24523%0.231CC..Hα-helixtrans-61.7-37.6176.81790000112.5I90 F91 I92 E97 N98I90-S94 WeakPolarHBondContact O-CB 3.41Å; I90-S94 PolarHBondContact O-N 2.87Å; F91-S94 CarbonylContact O-C 3.6Å; F91-S94 WeakPolarHBondContact O-CB 3.24Å; F91-S94 PolarHBondContact O-N 3.34Å; F91-S94 VanDerWaalsContact O-N 3.1Å; I92-S94 VanDerWaalsContact C-N 3.35Å; I92-S94 PolarHBondContact O-N 3.13Å; S94-E97 PolarHBondContact O-N 3.23Å; S94-N98 VanDerWaalsContact O-CB 3.32Å; S94-N98 WeakPolarHBondContact O-CB 3.33Å; S94-N98 PolarHBondContact O-N 2.91Å; S94-N98 PolarHBondContact O-ND2 2.89Å; S94-N98 PolarHBondContact OG-ND2 2.97Å
95C86.4Confident84.3Confident0 Ų039.8 Ų39.80%023%0.228CC..Hα-helixtrans-60.7-47.8174.9-86.10000112.3V62 F91 I92 S93 E97 N98 F99 I104 C108V62-C95 VanDerWaalsContact CG1-SG 3.53Å; F91-C95 WeakPolarHBondContact CE2-SG 3.48Å; F91-C95 WeakPolarHBondContact CZ-SG 3.48Å; F91-C95 PolarHBondContact O-N 3.5Å; I92-C95 WeakPolarHBondContact O-CB 3.22Å; I92-C95 PolarHBondContact O-N 2.99Å; I92-C95 VanDerWaalsContact O-N 3.12Å; S93-C95 VanDerWaalsContact C-N 3.33Å; S93-C95 PolarHBondContact O-N 3.26Å; C95-E97 VanDerWaalsContact C-N 3.27Å; C95-E97 PolarHBondContact O-N 3.11Å; C95-N98 PolarHBondContact O-N 3.13Å; C95-F99 HydrophobicContact CB-CD2 4.33Å; C95-F99 WeakPolarHBondContact O-CB 3.48Å; C95-F99 WeakPolarHBondContact O-CD2 3.07Å; C95-F99 PolarHBondContact O-N 3.08Å; C95-I104 HydrophobicContact CB-CG2 4.16Å; C95-C108 VanDerWaalsContact CB-SG 3.54Å
96V82.3Confident84.8Confident0 Ų038.3 Ų38.30%022%0.219CC..Hα-helixtrans-62.9-38.2-179.6178.50000111I92 S93 C108 L138 L139 R142I92-V96 WeakPolarHBondContact O-CG2 3.42Å; I92-V96 PolarHBondContact O-N 2.78Å; I92-V96 VanDerWaalsContact O-N 3.09Å; S93-V96 PolarHBondContact O-N 3.47Å; V96-C108 HydrophobicContact CG2-CB 4.36Å; V96-L138 HydrophobicContact CG1-CD2 4.22Å; V96-L139 HydrophobicContact CB-CD2 4.33Å; V96-L139 HydrophobicContact CB-CG 4.3Å; V96-L139 HydrophobicContact CG1-CD2 3.98Å; V96-L139 HydrophobicContact CG1-CG 3.85Å; V96-L139 HydrophobicContact CG2-CD1 3.66Å; V96-L139 HydrophobicContact CG2-CD2 3.37Å; V96-L139 HydrophobicContact CG2-CG 3.45Å; V96-L139 VanDerWaalsContact CG2-CG 3.45Å; V96-R142 PolarHBondContact O-NH1 2.72Å; V96-R142 PolarHBondContact O-NH2 2.74Å
97E81.5Confident85.4Confident119 Ų11939.2 Ų39.256%0.55622%0.221SC*.Hα-helixtrans-68.8-38.2177-71170-170.600112.6S93 S94 C95S93-E97 WeakPolarHBondContact O-CG 3.37Å; S93-E97 PolarHBondContact O-N 3.33Å; S94-E97 PolarHBondContact O-N 3.23Å; C95-E97 VanDerWaalsContact C-N 3.27Å; C95-E97 PolarHBondContact O-N 3.11Å
98N84.1Confident85.8Confident62 Ų6238.6 Ų38.633%0.33221%0.214SC..Hα-helixtrans-94.5-20.9-169.8-73.2-77000114.9S94 C95S94-N98 VanDerWaalsContact O-CB 3.32Å; S94-N98 WeakPolarHBondContact O-CB 3.33Å; S94-N98 PolarHBondContact O-N 2.91Å; S94-N98 PolarHBondContact O-ND2 2.89Å; S94-N98 PolarHBondContact OG-ND2 2.97Å; C95-N98 PolarHBondContact O-N 3.13Å
99F86Confident85.9Confident4 Ų441.1 Ų41.12%0.01823%0.227CC..  trans-118129.7-176.2-62.3-81.7000111.9A54 K57 E59 V62 C95 I104 R142A54-F99 HydrophobicContact CB-CE2 4.18Å; K57-F99 HydrophobicContact CB-CE1 4.11Å; E59-F99 HydrophobicContact CG-CD1 3.61Å; E59-F99 HydrophobicContact CG-CE1 3.6Å; V62-F99 HydrophobicContact CB-CE2 4.48Å; V62-F99 HydrophobicContact CB-CZ 4.35Å; V62-F99 HydrophobicContact CG1-CE2 4.18Å; V62-F99 HydrophobicContact CG2-CE2 3.98Å; V62-F99 HydrophobicContact CG2-CZ 3.77Å; C95-F99 HydrophobicContact CB-CD2 4.33Å; C95-F99 WeakPolarHBondContact O-CB 3.48Å; C95-F99 WeakPolarHBondContact O-CD2 3.07Å; C95-F99 PolarHBondContact O-N 3.08Å; F99-I104 HydrophobicContact CB-CB 4.31Å; F99-I104 HydrophobicContact CB-CD1 3.91Å; F99-I104 HydrophobicContact CB-CG2 4.06Å; F99-I104 HydrophobicContact CD1-CD1 3.51Å; F99-I104 HydrophobicContact CD2-CD1 4.19Å; F99-I104 HydrophobicContact CD2-CG2 4.24Å; F99-I104 HydrophobicContact CE1-CD1 4Å; F99-I104 HydrophobicContact CG-CD1 3.6Å; F99-I104 HydrophobicContact CG-CG2 4.26Å; F99-R142 PolarHBondContact O-NH1 3.46Å
100A83.5Confident86.3Confident90 Ų9044.8 Ų44.874%0.74424%0.244SC*.  trans-90.8-4.8171.700000112.6N102A100-N102 PolarHBondContact O-N 2.8Å
101S85.1Confident86.8Confident26 Ų2639.2 Ų39.218%0.18222%0.216CC..  trans-64.6123.2-178.6176.70000111.6E103 I104 N105S101-E103 PolarHBondContact O-N 3.36Å; S101-E103 PolarHBondContact OG-N 3.24Å; S101-I104 PolarHBondContact O-N 3.26Å; S101-N105 PolarHBondContact O-N 3.03Å; S101-N105 VanDerWaalsContact O-N 3.09Å; S101-N105 PolarHBondContact O-ND2 2.78Å; S101-N105 VanDerWaalsContact O-ND2 3.16Å
102N86.1Confident86.8Confident98 Ų9839.9 Ų39.952%0.52422%0.219SC..Hα-helixtrans-58.2-38174.9-72.1-15.4000111.1A100 I104 N105 D106A100-N102 PolarHBondContact O-N 2.8Å; N102-I104 PolarHBondContact O-N 3.46Å; N102-N105 PolarHBondContact O-N 3.37Å; N102-D106 WeakPolarHBondContact O-CB 3.33Å; N102-D106 PolarHBondContact O-N 2.99Å
103E90.2Very high86.8Confident101 Ų10143.1 Ų43.147%0.47224%0.239SC..Hα-helixtrans-61.8-44.7179.1-170.3-164.3147.100112.1S63 S101 N105 D106 K107S63-E103 PolarHBondContact OG-OE1 3.38Å; S101-E103 PolarHBondContact O-N 3.36Å; S101-E103 PolarHBondContact OG-N 3.24Å; E103-N105 VanDerWaalsContact C-N 3.34Å; E103-D106 PolarHBondContact O-N 3.18Å; E103-K107 HydrophobicContact CG-CD 4.45Å; E103-K107 WeakPolarHBondContact O-CB 3.38Å; E103-K107 WeakPolarHBondContact O-CG 3.43Å; E103-K107 PolarHBondContact O-N 3.05Å; E103-K107 IonicContact OE1-NZ 3.73Å; E103-K107 PolarHBondContact OE1-NZ 2.98Å
104I90.5Very high87.1Confident1 Ų144.1 Ų44.11%0.00524%0.244CC..Hα-helixtrans-66.7-41.1178.3-67.2176.3000110.2E59 V62 I66 C95 F99 S101 N102 K107 C108E59-I104 HydrophobicContact CB-CD1 3.81Å; E59-I104 HydrophobicContact CG-CD1 3.68Å; V62-I104 HydrophobicContact CG1-CD1 4.27Å; V62-I104 HydrophobicContact CG1-CG2 4.2Å; I66-I104 HydrophobicContact CD1-CG2 4.21Å; C95-I104 HydrophobicContact CB-CG2 4.16Å; F99-I104 HydrophobicContact CB-CB 4.31Å; F99-I104 HydrophobicContact CB-CD1 3.91Å; F99-I104 HydrophobicContact CB-CG2 4.06Å; F99-I104 HydrophobicContact CD1-CD1 3.51Å; F99-I104 HydrophobicContact CD2-CD1 4.19Å; F99-I104 HydrophobicContact CD2-CG2 4.24Å; F99-I104 HydrophobicContact CE1-CD1 4Å; F99-I104 HydrophobicContact CG-CD1 3.6Å; F99-I104 HydrophobicContact CG-CG2 4.26Å; S101-I104 PolarHBondContact O-N 3.26Å; N102-I104 PolarHBondContact O-N 3.46Å; I104-K107 PolarHBondContact O-N 3.33Å; I104-C108 VanDerWaalsContact O-CB 3.31Å; I104-C108 WeakPolarHBondContact O-CB 3.46Å; I104-C108 PolarHBondContact O-N 2.94Å; I104-C108 PolarHBondContact O-SG 3.2Å
105N88.1Confident87.3Confident2 Ų242.4 Ų42.41%0.01123%0.232CC..Hα-helixtrans-65.1-41.6178-70.4-36.3000111.8S101 N102 E103 C108 L109 L139S101-N105 PolarHBondContact O-N 3.03Å; S101-N105 VanDerWaalsContact O-N 3.09Å; S101-N105 PolarHBondContact O-ND2 2.78Å; S101-N105 VanDerWaalsContact O-ND2 3.16Å; N102-N105 PolarHBondContact O-N 3.37Å; E103-N105 VanDerWaalsContact C-N 3.34Å; N105-C108 WeakPolarHBondContact O-CB 3.34Å; N105-C108 PolarHBondContact O-N 2.99Å; N105-L109 PolarHBondContact O-N 2.86Å; N105-L139 HydrophobicContact CB-CD2 3.99Å
106D89.8Confident87Confident87 Ų8744.4 Ų44.447%0.46525%0.246SC..Hα-helixtrans-60-49.5174.7-75.7-29.1000111N102 E103 C108 L109 E110 L143N102-D106 WeakPolarHBondContact O-CB 3.33Å; N102-D106 PolarHBondContact O-N 2.99Å; E103-D106 PolarHBondContact O-N 3.18Å; D106-C108 VanDerWaalsContact C-N 3.33Å; D106-C108 PolarHBondContact O-N 2.97Å; D106-L109 PolarHBondContact O-N 3.42Å; D106-L109 VanDerWaalsContact O-N 3.17Å; D106-E110 PolarHBondContact O-N 3.28Å; D106-L143 WeakPolarHBondContact OD1-CD2 3.39Å
107K91.9Very high86.9Confident36 Ų3648.1 Ų48.116%0.15727%0.272CS..Hα-helixtrans-64.3-36.3177.3-73.2-178.9174.4171.70112.4S63 I66 E103 I104 L111S63-K107 PolarHBondContact OG-NZ 3.4Å; I66-K107 HydrophobicContact CB-CB 4.33Å; I66-K107 HydrophobicContact CD1-CB 4.45Å; I66-K107 HydrophobicContact CG2-CB 3.69Å; E103-K107 HydrophobicContact CG-CD 4.45Å; E103-K107 WeakPolarHBondContact O-CB 3.38Å; E103-K107 WeakPolarHBondContact O-CG 3.43Å; E103-K107 PolarHBondContact O-N 3.05Å; E103-K107 IonicContact OE1-NZ 3.73Å; E103-K107 PolarHBondContact OE1-NZ 2.98Å; I104-K107 PolarHBondContact O-N 3.33Å; K107-L111 VanDerWaalsContact O-CB 3.29Å; K107-L111 WeakPolarHBondContact O-CB 3.42Å; K107-L111 PolarHBondContact O-N 2.93Å
108C90.7Very high86.6Confident0 Ų046.8 Ų46.80%027%0.266CS..Hα-helixtrans-63.8-41.6173.5-76.40000111.7I92 C95 V96 I104 N105 D106 L111 L112I92-C108 HydrophobicContact CG2-CB 3.9Å; C95-C108 VanDerWaalsContact CB-SG 3.54Å; V96-C108 HydrophobicContact CG2-CB 4.36Å; I104-C108 VanDerWaalsContact O-CB 3.31Å; I104-C108 WeakPolarHBondContact O-CB 3.46Å; I104-C108 PolarHBondContact O-N 2.94Å; I104-C108 PolarHBondContact O-SG 3.2Å; N105-C108 WeakPolarHBondContact O-CB 3.34Å; N105-C108 PolarHBondContact O-N 2.99Å; D106-C108 VanDerWaalsContact C-N 3.33Å; D106-C108 PolarHBondContact O-N 2.97Å; C108-L111 PolarHBondContact O-N 3.22Å; C108-L112 WeakPolarHBondContact O-CG 3.35Å; C108-L112 PolarHBondContact O-N 3.32Å
109L87.5Confident85.8Confident53 Ų5344.8 Ų44.828%0.27726%0.256SS..Hα-helixtrans-68-43.6176.7-177.668.6000111.8N105 D106 L111 L112 T113 L143N105-L109 PolarHBondContact O-N 2.86Å; D106-L109 PolarHBondContact O-N 3.42Å; D106-L109 VanDerWaalsContact O-N 3.17Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-L111 PolarHBondContact O-N 2.97Å; L109-L112 PolarHBondContact O-N 3.26Å; L109-T113 WeakPolarHBondContact O-CB 3.46Å; L109-T113 PolarHBondContact O-N 2.9Å; L109-T113 PolarHBondContact O-OG1 3.49Å; L109-L143 HydrophobicContact CB-CD1 3.97Å; L109-L143 HydrophobicContact CD2-CD1 3.25Å; L109-L143 HydrophobicContact CG-CD1 4.1Å
110E90.8Very high84.8Confident90 Ų9049 Ų4942%0.42128%0.279SS..Hα-helixtrans-57.3-46.7175-176.7-177.6171.500110.4I70 D106 L112 T113 N114I70-E110 HydrophobicContact CD1-CB 4.13Å; I70-E110 HydrophobicContact CD1-CG 4Å; D106-E110 PolarHBondContact O-N 3.28Å; E110-L112 PolarHBondContact O-N 2.9Å; E110-T113 WeakPolarHBondContact O-CB 3.3Å; E110-T113 PolarHBondContact O-N 3.4Å; E110-N114 WeakPolarHBondContact O-CB 3.24Å; E110-N114 PolarHBondContact O-N 3.49Å
111L91.1Very high83.5Confident0 Ų049.4 Ų49.40%028%0.275CS..Hα-helixtrans-59-48175.7176.555.2000111.9I66 I69 I70 I73 I88 I92 K107 C108 L109 T113 N114 L115I66-L111 HydrophobicContact CG2-CB 4.25Å; I66-L111 HydrophobicContact CG2-CD2 4.12Å; I69-L111 HydrophobicContact CB-CD1 4.42Å; I69-L111 HydrophobicContact CG2-CD1 3.37Å; I69-L111 HydrophobicContact CG2-CD2 3.87Å; I69-L111 HydrophobicContact CG2-CG 4.29Å; I70-L111 HydrophobicContact CD1-CB 4.26Å; I70-L111 HydrophobicContact CG1-CB 3.93Å; I70-L111 HydrophobicContact CG1-CD1 4.15Å; I73-L111 HydrophobicContact CD1-CD1 3.44Å; I73-L111 VanDerWaalsContact CD1-CD1 3.44Å; I88-L111 HydrophobicContact CD1-CD2 4.09Å; I88-L111 HydrophobicContact CG1-CD2 4.02Å; I92-L111 HydrophobicContact CD1-CB 4.41Å; I92-L111 HydrophobicContact CD1-CD2 3.59Å; I92-L111 HydrophobicContact CD1-CG 3.69Å; I92-L111 HydrophobicContact CG1-CD2 3.79Å; I92-L111 HydrophobicContact CG1-CG 4.39Å; K107-L111 VanDerWaalsContact O-CB 3.29Å; K107-L111 WeakPolarHBondContact O-CB 3.42Å; K107-L111 PolarHBondContact O-N 2.93Å; C108-L111 PolarHBondContact O-N 3.22Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-L111 PolarHBondContact O-N 2.97Å; L111-T113 VanDerWaalsContact C-N 3.29Å; L111-T113 PolarHBondContact O-N 3.33Å; L111-N114 PolarHBondContact O-N 3.37Å; L111-L115 HydrophobicContact CD1-CD1 4.13Å; L111-L115 HydrophobicContact CD1-CD2 4.47Å; L111-L115 HydrophobicContact CD1-CG 4.02Å; L111-L115 HydrophobicContact CG-CD1 4.14Å; L111-L115 HydrophobicContact CG-CG 4.47Å; L111-L115 WeakPolarHBondContact O-CB 3.27Å; L111-L115 VanDerWaalsContact O-CG 3.24Å; L111-L115 WeakPolarHBondContact O-CG 3.49Å; L111-L115 PolarHBondContact O-N 3.09Å
112L87.3Confident82.4Confident17 Ų1753.8 Ų53.89%0.08930%0.296CS..Hα-helixtrans-59.9-40.2176.6-75.2167.2000112.4I89 I92 C108 L109 E110 L115 S116 I136 L139I89-L112 HydrophobicContact CD1-CD2 4.11Å; I92-L112 HydrophobicContact CD1-CD2 3.67Å; I92-L112 HydrophobicContact CD1-CG 3.87Å; I92-L112 HydrophobicContact CG2-CD1 3.74Å; I92-L112 HydrophobicContact CG2-CD2 4.17Å; I92-L112 HydrophobicContact CG2-CG 3.87Å; C108-L112 WeakPolarHBondContact O-CG 3.35Å; C108-L112 PolarHBondContact O-N 3.32Å; L109-L112 PolarHBondContact O-N 3.26Å; E110-L112 PolarHBondContact O-N 2.9Å; L112-L115 PolarHBondContact O-N 2.91Å; L112-S116 WeakPolarHBondContact O-CB 3.18Å; L112-S116 PolarHBondContact O-N 3.2Å; L112-S116 PolarHBondContact O-OG 3.27Å; L112-I136 HydrophobicContact CD1-CG1 4.02Å; L112-L139 HydrophobicContact CD1-CD1 3.53Å
113T86.3Confident81.1Confident72 Ų7250.4 Ų50.444%0.44228%0.28SS..Hα-helixtrans-63.2-48.2177.7-56.10000110.4L109 E110 L111 L115 S116 S117L109-T113 WeakPolarHBondContact O-CB 3.46Å; L109-T113 PolarHBondContact O-N 2.9Å; L109-T113 PolarHBondContact O-OG1 3.49Å; E110-T113 WeakPolarHBondContact O-CB 3.3Å; E110-T113 PolarHBondContact O-N 3.4Å; L111-T113 VanDerWaalsContact C-N 3.29Å; L111-T113 PolarHBondContact O-N 3.33Å; T113-L115 PolarHBondContact O-N 2.96Å; T113-S116 PolarHBondContact O-N 2.87Å; T113-S116 PolarHBondContact O-OG 3.43Å; T113-S117 PolarHBondContact O-N 3.23Å
114N87.9Confident79.7Confident33 Ų3347.4 Ų47.418%0.17627%0.267CS..Hα-helixtrans-63.6-42.6178.6-75.10.6000111.7I73 E110 L111 S117 M118I73-N114 HydrophobicContact CD1-CB 3.5Å; I73-N114 HydrophobicContact CG1-CB 4.21Å; E110-N114 WeakPolarHBondContact O-CB 3.24Å; E110-N114 PolarHBondContact O-N 3.49Å; L111-N114 PolarHBondContact O-N 3.37Å; N114-S117 PolarHBondContact O-N 2.91Å; N114-S117 PolarHBondContact O-OG 3.45Å; N114-M118 WeakPolarHBondContact O-CG 3.45Å; N114-M118 PolarHBondContact O-N 3.13Å
115L85.6Confident78.3Confident0 Ų054.3 Ų54.30%030%0.299CS..Hα-helixtrans-57.9-50172.5-69173.5000110.3I73 C80 I84 I88 I89 I92 L111 L112 T113 S117 M118 L119I73-L115 HydrophobicContact CD1-CD2 3.84Å; I73-L115 HydrophobicContact CD1-CG 4.01Å; I73-L115 HydrophobicContact CG2-CD2 4.36Å; C80-L115 WeakPolarHBondContact SG-CD2 3.17Å; I84-L115 HydrophobicContact CD1-CD2 4.37Å; I84-L115 HydrophobicContact CG1-CD2 4.3Å; I88-L115 HydrophobicContact CG2-CD1 3.84Å; I89-L115 HydrophobicContact CD1-CD1 3.68Å; I92-L115 HydrophobicContact CD1-CD1 3.95Å; L111-L115 HydrophobicContact CD1-CD1 4.13Å; L111-L115 HydrophobicContact CD1-CD2 4.47Å; L111-L115 HydrophobicContact CD1-CG 4.02Å; L111-L115 HydrophobicContact CG-CD1 4.14Å; L111-L115 HydrophobicContact CG-CG 4.47Å; L111-L115 WeakPolarHBondContact O-CB 3.27Å; L111-L115 VanDerWaalsContact O-CG 3.24Å; L111-L115 WeakPolarHBondContact O-CG 3.49Å; L111-L115 PolarHBondContact O-N 3.09Å; L112-L115 PolarHBondContact O-N 2.91Å; T113-L115 PolarHBondContact O-N 2.96Å; L115-S117 VanDerWaalsContact C-N 3.26Å; L115-S117 PolarHBondContact O-N 3.08Å; L115-M118 PolarHBondContact O-N 2.85Å; L115-M118 VanDerWaalsContact O-N 3.08Å; L115-L119 HydrophobicContact CB-CD1 4.49Å; L115-L119 WeakPolarHBondContact O-CD1 3.2Å; L115-L119 WeakPolarHBondContact O-CG 3.5Å; L115-L119 PolarHBondContact O-N 3.49Å
116S80.4Confident77Confident41 Ų4159.8 Ų59.829%0.28733%0.325SS..Hα-helixtrans-60.6-33.9-177.673.90000113.7L112 T113 M118L112-S116 WeakPolarHBondContact O-CB 3.18Å; L112-S116 PolarHBondContact O-N 3.2Å; L112-S116 PolarHBondContact O-OG 3.27Å; T113-S116 PolarHBondContact O-N 2.87Å; T113-S116 PolarHBondContact O-OG 3.43Å; S116-M118 VanDerWaalsContact C-N 3.34Å
117S81.3Confident75.5Confident79 Ų7955.9 Ų55.955%0.55230%0.304SS*.Hα-helixtrans-75.5-19.8178.770.50000114.4T113 N114 L115T113-S117 PolarHBondContact O-N 3.23Å; N114-S117 PolarHBondContact O-N 2.91Å; N114-S117 PolarHBondContact O-OG 3.45Å; L115-S117 VanDerWaalsContact C-N 3.26Å; L115-S117 PolarHBondContact O-N 3.08Å
118M75.5Confident74.1Confident90 Ų9060.1 Ų60.144%0.44332%0.32SS..Hα-helixtrans-100-8.4-174.8-69.9-68.9155.500113.4C80 N114 L115 S116C80-M118 HydrophobicContact CB-CB 4.44Å; N114-M118 WeakPolarHBondContact O-CG 3.45Å; N114-M118 PolarHBondContact O-N 3.13Å; L115-M118 PolarHBondContact O-N 2.85Å; L115-M118 VanDerWaalsContact O-N 3.08Å; S116-M118 VanDerWaalsContact C-N 3.34Å
119L67.3Low73Confident20 Ų2062.9 Ų62.911%0.10534%0.337CS..  trans-99.4144.2-172-70.4171.4000112.9I84 L115 L124 V127I84-L119 HydrophobicContact CD1-CD1 3.35Å; I84-L119 HydrophobicContact CD1-CD2 3.07Å; I84-L119 HydrophobicContact CD1-CG 3.69Å; L115-L119 HydrophobicContact CB-CD1 4.49Å; L115-L119 WeakPolarHBondContact O-CD1 3.2Å; L115-L119 WeakPolarHBondContact O-CG 3.5Å; L115-L119 PolarHBondContact O-N 3.49Å; L119-L124 HydrophobicContact CB-CD2 4.2Å; L119-L124 HydrophobicContact CB-CG 3.9Å; L119-L124 HydrophobicContact CD1-CD2 4.39Å; L119-V127 HydrophobicContact CD1-CG2 3.73Å
120D64.2Low71.9Confident94 Ų9465.6 Ų65.650%0.50336%0.36SS..  trans-71.7164.6163.263.421.6000111N122 S123 L124D120-N122 PolarHBondContact O-N 3.45Å; D120-N122 VanDerWaalsContact O-N 3.1Å; D120-N122 PolarHBondContact OD1-N 3.1Å; D120-S123 PolarHBondContact O-N 3.23Å; D120-S123 VanDerWaalsContact O-N 3.14Å; D120-S123 WeakPolarHBondContact OD1-CB 3.42Å; D120-S123 PolarHBondContact OD1-N 3.16Å; D120-S123 PolarHBondContact OD1-OG 3.37Å; D120-L124 PolarHBondContact O-N 2.92Å
121C57Low70.9Confident98 Ų9864.5 Ų64.566%0.66236%0.363SS*.Hα-helixtrans-55.4-31-177.4-680000113.7Q125C121-Q125 PolarHBondContact O-N 3.35Å
122N60.1Low69.8Low118 Ų11865.3 Ų65.363%0.63137%0.367SS*.Hα-helixtrans-70.4-45.9-179.6-65.6-25000110.7D120 L124 Q125D120-N122 PolarHBondContact O-N 3.45Å; D120-N122 VanDerWaalsContact O-N 3.1Å; D120-N122 PolarHBondContact OD1-N 3.1Å; N122-L124 VanDerWaalsContact C-N 3.29Å; N122-L124 PolarHBondContact O-N 2.75Å; N122-Q125 WeakPolarHBondContact O-CB 3.33Å; N122-Q125 PolarHBondContact O-N 2.71Å
123S59.4Low69Low26 Ų2666.4 Ų66.418%0.18237%0.374CS..Hα-helixtrans-70.2-29.5178.5-450000111.7D120 Q125 E126 V127D120-S123 PolarHBondContact O-N 3.23Å; D120-S123 VanDerWaalsContact O-N 3.14Å; D120-S123 WeakPolarHBondContact OD1-CB 3.42Å; D120-S123 PolarHBondContact OD1-N 3.16Å; D120-S123 PolarHBondContact OD1-OG 3.37Å; S123-Q125 VanDerWaalsContact C-N 3.33Å; S123-Q125 PolarHBondContact O-N 2.95Å; S123-E126 PolarHBondContact O-N 3.12Å; S123-V127 PolarHBondContact O-N 3.27Å
124L61.3Low68.3Low39 Ų3968 Ų6820%0.20438%0.377CS..Hα-helixtrans-62.6-34.8170.7-76.9168.7000112.7L119 D120 N122 E126 V127 Y128L119-L124 HydrophobicContact CB-CD2 4.2Å; L119-L124 HydrophobicContact CB-CG 3.9Å; L119-L124 HydrophobicContact CD1-CD2 4.39Å; D120-L124 PolarHBondContact O-N 2.92Å; N122-L124 VanDerWaalsContact C-N 3.29Å; N122-L124 PolarHBondContact O-N 2.75Å; L124-E126 VanDerWaalsContact C-N 3.29Å; L124-E126 PolarHBondContact O-N 3.45Å; L124-V127 WeakPolarHBondContact O-CA 3.35Å; L124-V127 WeakPolarHBondContact O-CB 3.29Å; L124-V127 PolarHBondContact O-N 3.08Å; L124-V127 VanDerWaalsContact O-N 3.07Å; L124-Y128 HydrophobicContact CB-CD2 4.42Å; L124-Y128 HydrophobicContact CD2-CE2 4.08Å; L124-Y128 VanDerWaalsContact O-CD2 3.28Å; L124-Y128 WeakPolarHBondContact O-CD2 3.3Å; L124-Y128 PolarHBondContact O-N 3.35Å
125Q61Low67.5Low145 Ų14567.7 Ų67.768%0.67838%0.375SS*.Hα-helixtrans-63.2-34.6178.2-75.9-178.6-6.300112.6C121 N122 S123 V127 Y128C121-Q125 PolarHBondContact O-N 3.35Å; N122-Q125 WeakPolarHBondContact O-CB 3.33Å; N122-Q125 PolarHBondContact O-N 2.71Å; S123-Q125 VanDerWaalsContact C-N 3.33Å; S123-Q125 PolarHBondContact O-N 2.95Å; Q125-V127 VanDerWaalsContact C-N 3.3Å; Q125-Y128 CarbonylContact O-C 3.5Å; Q125-Y128 PolarHBondContact O-N 3.02Å
126E60.7Low66.7Low118 Ų11869.4 Ų69.455%0.55138%0.384SS*.Hα-helixtrans-68-32.6173.4-64.9-171.2171.700112.1S123 L124 T129 N132S123-E126 PolarHBondContact O-N 3.12Å; L124-E126 VanDerWaalsContact C-N 3.29Å; L124-E126 PolarHBondContact O-N 3.45Å; E126-T129 WeakPolarHBondContact O-CG2 3.37Å; E126-N132 PolarHBondContact O-ND2 3.47Å
127V59.2Low66.3Low4 Ų475 Ų752%0.02440%0.399CS..Hα-helixtrans-69.9-39.2173.5-177.40000110.6I89 L119 S123 L124 Q125 T129 N132I89-V127 HydrophobicContact CD1-CB 4.49Å; I89-V127 HydrophobicContact CD1-CG1 4.06Å; I89-V127 HydrophobicContact CD1-CG2 3.9Å; I89-V127 HydrophobicContact CG1-CG2 4.16Å; L119-V127 HydrophobicContact CD1-CG2 3.73Å; S123-V127 PolarHBondContact O-N 3.27Å; L124-V127 WeakPolarHBondContact O-CA 3.35Å; L124-V127 WeakPolarHBondContact O-CB 3.29Å; L124-V127 PolarHBondContact O-N 3.08Å; L124-V127 VanDerWaalsContact O-N 3.07Å; Q125-V127 VanDerWaalsContact C-N 3.3Å; V127-T129 PolarHBondContact O-N 3.11Å; V127-N132 WeakPolarHBondContact O-CB 3.32Å; V127-N132 PolarHBondContact O-ND2 2.87Å
128Y62.3Low65.9Low126 Ų12674.4 Ų74.449%0.49439%0.389SS..THydrogen-bonded Turntrans-93.941.1-177.2-73-71.9000114.2L124 Q125 V133 I136L124-Y128 HydrophobicContact CB-CD2 4.42Å; L124-Y128 HydrophobicContact CD2-CE2 4.08Å; L124-Y128 VanDerWaalsContact O-CD2 3.28Å; L124-Y128 WeakPolarHBondContact O-CD2 3.3Å; L124-Y128 PolarHBondContact O-N 3.35Å; Q125-Y128 CarbonylContact O-C 3.5Å; Q125-Y128 PolarHBondContact O-N 3.02Å; Y128-V133 HydrophobicContact CD1-CG2 3.93Å; Y128-I136 HydrophobicContact CD1-CD1 4.44Å; Y128-I136 HydrophobicContact CE1-CD1 4.14Å
129T67.5Low65.6Low58 Ų5870.1 Ų70.136%0.35637%0.368SS..  trans-65.3155.216364.10000110.5E126 V127 S131 N132 V133E126-T129 WeakPolarHBondContact O-CG2 3.37Å; V127-T129 PolarHBondContact O-N 3.11Å; T129-S131 PolarHBondContact O-N 3.27Å; T129-S131 PolarHBondContact OG1-OG 3.4Å; T129-N132 PolarHBondContact O-N 2.95Å; T129-N132 PolarHBondContact OG1-ND2 3.01Å; T129-V133 WeakPolarHBondContact O-CG2 3.48Å; T129-V133 PolarHBondContact O-N 3.42Å
130S64.2Low65.8Low109 Ų10972 Ų7276%0.76238%0.38SS*.Hα-helixtrans-55.1-37.2-177.153.50000113.5E134S130-E134 PolarHBondContact O-N 3.18Å
131S69.7Low66.2Low68 Ų6870.4 Ų70.448%0.47638%0.38SS..Hα-helixtrans-66.3-42.3175.255.60000112.5T129 E134 N135T129-S131 PolarHBondContact O-N 3.27Å; T129-S131 PolarHBondContact OG1-OG 3.4Å; S131-E134 PolarHBondContact O-N 2.91Å; S131-N135 PolarHBondContact O-N 3.41Å; S131-N135 VanDerWaalsContact O-N 3.11Å
132N68.7Low66.9Low16 Ų1669.7 Ų69.79%0.08636%0.363CS..Hα-helixtrans-70.1-37.3-179.5-64.7-18.1000111.5I89 E126 V127 T129 E134 N135 I136I89-N132 HydrophobicContact CG2-CB 4.35Å; I89-N132 VanDerWaalsContact CG2-CG 3.45Å; I89-N132 WeakPolarHBondContact CG2-ND2 3.28Å; E126-N132 PolarHBondContact O-ND2 3.47Å; V127-N132 WeakPolarHBondContact O-CB 3.32Å; V127-N132 PolarHBondContact O-ND2 2.87Å; T129-N132 PolarHBondContact O-N 2.95Å; T129-N132 PolarHBondContact OG1-ND2 3.01Å; N132-E134 VanDerWaalsContact C-N 3.28Å; N132-E134 PolarHBondContact O-N 3.43Å; N132-N135 PolarHBondContact O-N 3.5Å; N132-I136 WeakPolarHBondContact O-CB 3.3Å; N132-I136 WeakPolarHBondContact O-CG1 3.22Å; N132-I136 PolarHBondContact O-N 2.92Å
133V70.5Confident67.3Low41 Ų4165.4 Ų65.425%0.24834%0.34CS..Hα-helixtrans-57.3-43.8173.9172.20000110.6Y128 T129 I136 R137Y128-V133 HydrophobicContact CD1-CG2 3.93Å; T129-V133 WeakPolarHBondContact O-CG2 3.48Å; T129-V133 PolarHBondContact O-N 3.42Å; V133-I136 PolarHBondContact O-N 3.12Å; V133-R137 WeakPolarHBondContact O-CB 3.49Å; V133-R137 VanDerWaalsContact O-CG 3.31Å; V133-R137 WeakPolarHBondContact O-CG 3.49Å; V133-R137 PolarHBondContact O-N 3.04Å
134E71.3Confident67.8Low106 Ų10669.1 Ų69.150%0.49536%0.358SS..Hα-helixtrans-66.5-40.4178.3-16757.8-156.800112S130 S131 N132 I136 R137 L138S130-E134 PolarHBondContact O-N 3.18Å; S131-E134 PolarHBondContact O-N 2.91Å; N132-E134 VanDerWaalsContact C-N 3.28Å; N132-E134 PolarHBondContact O-N 3.43Å; E134-I136 PolarHBondContact O-N 3.23Å; E134-R137 WeakPolarHBondContact O-CB 3.45Å; E134-R137 PolarHBondContact O-N 3.14Å; E134-R137 IonicContact OE2-NH1 2.8Å; E134-L138 WeakPolarHBondContact O-CB 3.19Å; E134-L138 PolarHBondContact O-N 2.94Å
135N69.3Low67.7Low26 Ų2669.4 Ų69.414%0.13937%0.37CS..Hα-helixtrans-65.3-38.6174.9-71.6-19.6000112.7S93 S131 N132 L138 L139S93-N135 WeakPolarHBondContact CB-ND2 3.49Å; S93-N135 PolarHBondContact OG-ND2 3.29Å; S131-N135 PolarHBondContact O-N 3.41Å; S131-N135 VanDerWaalsContact O-N 3.11Å; N132-N135 PolarHBondContact O-N 3.5Å; N135-L138 PolarHBondContact O-N 2.92Å; N135-L139 WeakPolarHBondContact O-CB 3.43Å; N135-L139 PolarHBondContact O-N 3.23Å
136I69.5Low67.3Low36 Ų3665.1 Ų65.119%0.18537%0.366CS..Hα-helixtrans-64.1-42.8172.9-68.3165.2000110.2L112 Y128 N132 V133 E134 L139 T140L112-I136 HydrophobicContact CD1-CG1 4.02Å; Y128-I136 HydrophobicContact CD1-CD1 4.44Å; Y128-I136 HydrophobicContact CE1-CD1 4.14Å; N132-I136 WeakPolarHBondContact O-CB 3.3Å; N132-I136 WeakPolarHBondContact O-CG1 3.22Å; N132-I136 PolarHBondContact O-N 2.92Å; V133-I136 PolarHBondContact O-N 3.12Å; E134-I136 PolarHBondContact O-N 3.23Å; I136-L139 WeakPolarHBondContact O-CB 3.32Å; I136-L139 PolarHBondContact O-N 3.31Å; I136-T140 PolarHBondContact O-N 3.35Å; I136-T140 PolarHBondContact O-OG1 2.89Å
137R72.1Confident66.7Low158 Ų15868.1 Ų68.160%0.59638%0.377SS*.Hα-helixtrans-61.7-44.2175.1-76.3174.2176.5176.1-1.6111.9V133 E134 L139 T140 A141V133-R137 WeakPolarHBondContact O-CB 3.49Å; V133-R137 VanDerWaalsContact O-CG 3.31Å; V133-R137 WeakPolarHBondContact O-CG 3.49Å; V133-R137 PolarHBondContact O-N 3.04Å; E134-R137 WeakPolarHBondContact O-CB 3.45Å; E134-R137 PolarHBondContact O-N 3.14Å; E134-R137 IonicContact OE2-NH1 2.8Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 3.36Å; R137-T140 PolarHBondContact O-N 3.09Å; R137-A141 WeakPolarHBondContact O-CB 3.35Å; R137-A141 PolarHBondContact O-N 3.29Å
138L73.2Confident66Low66 Ų6671.4 Ų71.435%0.34640%0.404SS..Hα-helixtrans-61.2-43176.1-175.967.4000111.4V96 E134 N135 A141 R142V96-L138 HydrophobicContact CG1-CD2 4.22Å; E134-L138 WeakPolarHBondContact O-CB 3.19Å; E134-L138 PolarHBondContact O-N 2.94Å; N135-L138 PolarHBondContact O-N 2.92Å; L138-A141 PolarHBondContact O-N 2.93Å; L138-R142 WeakPolarHBondContact O-CG 3.48Å; L138-R142 PolarHBondContact O-N 2.95Å
139L68.9Low65.1Low1 Ų172.7 Ų72.71%0.00542%0.42CS..Hα-helixtrans-56.2-54.8172.2-90.3171.9000111.5V96 N105 L112 N135 I136 R137 A141 R142 L143V96-L139 HydrophobicContact CB-CD2 4.33Å; V96-L139 HydrophobicContact CB-CG 4.3Å; V96-L139 HydrophobicContact CG1-CD2 3.98Å; V96-L139 HydrophobicContact CG1-CG 3.85Å; V96-L139 HydrophobicContact CG2-CD1 3.66Å; V96-L139 HydrophobicContact CG2-CD2 3.37Å; V96-L139 HydrophobicContact CG2-CG 3.45Å; V96-L139 VanDerWaalsContact CG2-CG 3.45Å; N105-L139 HydrophobicContact CB-CD2 3.99Å; L112-L139 HydrophobicContact CD1-CD1 3.53Å; N135-L139 WeakPolarHBondContact O-CB 3.43Å; N135-L139 PolarHBondContact O-N 3.23Å; I136-L139 WeakPolarHBondContact O-CB 3.32Å; I136-L139 PolarHBondContact O-N 3.31Å; R137-L139 VanDerWaalsContact C-N 3.34Å; R137-L139 PolarHBondContact O-N 3.36Å; L139-A141 VanDerWaalsContact C-N 3.29Å; L139-A141 PolarHBondContact O-N 3.05Å; L139-R142 PolarHBondContact O-N 2.95Å; L139-L143 WeakPolarHBondContact O-CB 2.95Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.42Å; L139-L143 PolarHBondContact O-N 3.36Å
140T71.6Confident63.9Low59 Ų5978.6 Ų78.636%0.36244%0.443SS..Hα-helixtrans-60-40-180-55.20000111.6I136 R137 L143 N144I136-T140 PolarHBondContact O-N 3.35Å; I136-T140 PolarHBondContact O-OG1 2.89Å; R137-T140 PolarHBondContact O-N 3.09Å; T140-L143 PolarHBondContact O-N 3.07Å; T140-N144 WeakPolarHBondContact O-CB 3.31Å; T140-N144 VanDerWaalsContact O-CG 3.3Å; T140-N144 PolarHBondContact O-N 3.26Å; T140-N144 PolarHBondContact O-ND2 3.14Å
141A73.8Confident62.6Low60 Ų6081.8 Ų81.850%0.49645%0.446SS..Hα-helixtrans-64.7-43.2176.800000112.3R137 L138 L139 N144 G145R137-A141 WeakPolarHBondContact O-CB 3.35Å; R137-A141 PolarHBondContact O-N 3.29Å; L138-A141 PolarHBondContact O-N 2.93Å; L139-A141 VanDerWaalsContact C-N 3.29Å; L139-A141 PolarHBondContact O-N 3.05Å; A141-N144 PolarHBondContact O-N 3.33Å; A141-G145 PolarHBondContact O-N 3.22Å
142R71.3Confident61Low84 Ų8483.7 Ų83.732%0.31746%0.459SS..Hα-helixtrans-63.3-41.7175.9-74.7178.9179.3-176.54.4112.1V96 F99 L138 L139 G146V96-R142 PolarHBondContact O-NH1 2.72Å; V96-R142 PolarHBondContact O-NH2 2.74Å; F99-R142 PolarHBondContact O-NH1 3.46Å; L138-R142 WeakPolarHBondContact O-CG 3.48Å; L138-R142 PolarHBondContact O-N 2.95Å; L139-R142 PolarHBondContact O-N 2.95Å; R142-G146 PolarHBondContact O-N 3.26Å
143L67.4Low59.7Low27 Ų2790.3 Ų90.314%0.14149%0.493CS..Hα-helixtrans-70.2-35.9-179.7-67.8173.1000113D106 L109 L139 T140D106-L143 WeakPolarHBondContact OD1-CD2 3.39Å; L109-L143 HydrophobicContact CB-CD1 3.97Å; L109-L143 HydrophobicContact CD2-CD1 3.25Å; L109-L143 HydrophobicContact CG-CD1 4.1Å; L139-L143 WeakPolarHBondContact O-CB 2.95Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.42Å; L139-L143 PolarHBondContact O-N 3.36Å; T140-L143 PolarHBondContact O-N 3.07Å
144N70.6Confident58.2Low104 Ų10493.6 Ų93.656%0.55652%0.518SS*.Hα-helixtrans-78.6-34.7175.1-69.8-20.7000112.1T140 A141 G146 K147T140-N144 WeakPolarHBondContact O-CB 3.31Å; T140-N144 VanDerWaalsContact O-CG 3.3Å; T140-N144 PolarHBondContact O-N 3.26Å; T140-N144 PolarHBondContact O-ND2 3.14Å; A141-N144 PolarHBondContact O-N 3.33Å; N144-G146 VanDerWaalsContact C-N 3.32Å; N144-G146 PolarHBondContact O-N 2.79Å; N144-K147 PolarHBondContact O-N 3.46Å
145G59.8Low56.8Low45 Ų4594.5 Ų94.546%0.46453%0.533SS..Hα-helixtrans-68.1-28.217600000113.5A141 K147A141-G145 PolarHBondContact O-N 3.22Å; G145-K147 VanDerWaalsContact C-N 3.34Å
146G51.1Low55.9Low56 Ų5699.2 Ų99.258%0.57757%0.568SS**THydrogen-bonded Turntrans-79.7-8.9174.100000115.2R142 N144R142-G146 PolarHBondContact O-N 3.26Å; N144-G146 VanDerWaalsContact C-N 3.32Å; N144-G146 PolarHBondContact O-N 2.79Å
147K49.1Very low55Low180 Ų180102.4 Ų102.478%0.78359%0.593SS**THydrogen-bonded Turntrans-104.2-9.4178.8-78.5-177.7177.3175.20114.1N144 G145N144-K147 PolarHBondContact O-N 3.46Å; G145-K147 VanDerWaalsContact C-N 3.34Å
148A43.2Very low54Low73 Ų73100.2 Ų100.260%0.60360%0.602SS**THydrogen-bonded Turntrans-84.8-7.9-172.700000115.4
149D43.7Very low52.5Low153 Ų153102.6 Ų102.682%0.81862%0.621SS**THydrogen-bonded Turntrans-103.415.4-171.1-70.1-21.8000115.3
150H42.1Very low52.5Low183 Ų183108.4 Ų108.485%0.84766%0.662SS**SBendtrans-128.98-174.5-128.8-64.2000117.7
151E37.1Very low51.9Low176 Ų176118.6 Ų118.682%0.82271%0.706SS**SBendtrans-132.2120.9174-76.8-175.6130.500112.4
152S36Very low50.8Low107 Ų107121.5 Ų121.575%0.74872%0.716SS**  trans78.3127.7151.9850000115.3
153I41.6Very low49.8Very low155 Ų155123.5 Ų123.580%0.79574%0.737SS**  cis-162.412715.9-84.5133.2000106.5
154S39.7Very low48.8Very low111 Ų111128.8 Ų128.878%0.77677%0.77SS**  trans-86170158.4-51.40000109.3
155P42.1Very low47.5Very low124 Ų124130.3 Ų130.381%0.80578%0.783SS**  -114.9144.2-76.232.7-17.9000110.7
156S49.4Very low46.7Very low126 Ų126135.6 Ų135.688%0.88180%0.803SS**  trans-104.3115.116870.30000111.2
157S51.1Low46.4Very low102 Ų102140.9 Ų140.971%0.71382%0.818SS**  trans-64.9139.5-178.941.40000116.8
158S50.4Low46.3Very low112 Ų112138.1 Ų138.178%0.78382%0.82SS**  trans64.4171.2131-53.20000120.2
159P42.6Very low46.5Very low116 Ų116143.2 Ų143.275%0.75384%0.837SS**  cis-134.1160.4-40.133.1-16.1000113
160S68.2Low46.7Very low124 Ų124142.3 Ų142.387%0.86784%0.839SS**  trans-177.1130.3160.1-66.20000107.1
161E60.6Low47.1Very low272 Ų272138.6 Ų138.6100%1.27184%0.838SS**  cis-132.4011.4-73.8173.9113.700110.8

Retrieved 161 of 161 residues in 103.1 ms (Link to these results)