A0A087YC71_POEFO Loading...

Sarcospan (Kras oncogene-associated gene)

AlphaFold DB , UniProt , Accession A0A087YC71, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 224 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
1M37.8Very low40.7Very low253 Ų253151.5 Ų151.5100%1.24685%0.852SS**  096.70-73.2172.316900107.8
2G35.1Very low40.7Very low81 Ų81153.4 Ų153.484%0.83584%0.844SS**  trans-95.9130.1-170.400000112.5G4G2-G4 PolarHBondContact O-N 3.14Å
3Q36.5Very low40.8Very low202 Ų202152.3 Ų152.394%0.94483%0.829SS**  trans-70.1115.4174-73.7174.1-7.300110.6
4G33.6Very low41Very low77 Ų77156.7 Ų156.779%0.79483%0.828SS**  trans-89.8107.2174.500000112.1G2 K6G2-G4 PolarHBondContact O-N 3.14Å; G4-K6 PolarHBondContact O-N 3.05Å
5R40.6Very low41Very low254 Ų254155.9 Ų155.996%0.95882%0.817SS**  trans-68.1111.1162.2-77.3177.2169.7178.8-2.9109.5
6K43.8Very low40.9Very low215 Ų215156.8 Ų156.894%0.93581%0.813SS**  trans-129.998.6162.6-98-176.8176.2178.80108.6G4G4-K6 PolarHBondContact O-N 3.05Å
7G42.5Very low40.7Very low78 Ų78155.6 Ų155.680%0.80481%0.808SS**  trans-17029.6-179.100000114.4
8S47.6Very low40.8Very low99 Ų99158.8 Ų158.869%0.69281%0.808SS**SBendtrans-131.3-21.1-177.2-163.50000114.7
9S44.6Very low40.8Very low99 Ų99157.8 Ų157.869%0.69281%0.805SS**Hα-helixtrans-83.9-30.5-175.1-57.40000114.4K11 K12 Q13S9-K11 PolarHBondContact O-N 3.3Å; S9-K12 PolarHBondContact O-N 2.94Å; S9-Q13 PolarHBondContact O-N 3.23Å
10D42.4Very low40.9Very low131 Ų131157.1 Ų157.170%0.70180%0.803SS**Hα-helixtrans-73.1-26.2-177.4-68.8-44.6000113.8R14D10-R14 PolarHBondContact O-N 3.27Å
11K42.9Very low40.9Very low177 Ų177154.4 Ų154.477%0.7780%0.798SS**Hα-helixtrans-71.7-36.1176.5-98.1-176.6176179.80112.3S9 Q15S9-K11 PolarHBondContact O-N 3.3Å; K11-Q15 WeakPolarHBondContact O-CB 3.29Å; K11-Q15 PolarHBondContact O-N 2.76Å
12K40.6Very low41Very low175 Ų175148.2 Ų148.276%0.76178%0.777SS**Hα-helixtrans-69.1-34177.8-106.1-179.2176.4-179.50112.2S9 K16S9-K12 PolarHBondContact O-N 2.94Å; K12-K16 PolarHBondContact O-N 3.35Å
13Q42.8Very low41.4Very low139 Ų139148.1 Ų148.165%0.6577%0.768SS**Hα-helixtrans-77-34.5179.1-155.8166.93.100112.5S9 Q15S9-Q13 PolarHBondContact O-N 3.23Å; Q13-Q15 VanDerWaalsContact C-N 3.33Å; Q13-Q15 PolarHBondContact O-N 2.03Å
14R42.9Very low41.7Very low214 Ų214143.9 Ų143.981%0.80876%0.758SS**Hα-helixtrans-70-26173-105.4-174.7176.7-162.30114.3D10D10-R14 PolarHBondContact O-N 3.27Å
15Q41.3Very low42Very low144 Ų144149.5 Ų149.567%0.67376%0.764SS**Hα-helixtrans-85.6-32.5179.6-157.1161.4-2.800111.9K11 Q13 N17 R18K11-Q15 WeakPolarHBondContact O-CB 3.29Å; K11-Q15 PolarHBondContact O-N 2.76Å; Q13-Q15 VanDerWaalsContact C-N 3.33Å; Q13-Q15 PolarHBondContact O-N 2.03Å; Q15-N17 PolarHBondContact O-N 3.33Å; Q15-R18 PolarHBondContact O-N 3.29Å
16K38.8Very low42.4Very low170 Ų170144.6 Ų144.674%0.73976%0.757SS**Hα-helixtrans-69.9-26.6177.2-161.1177.2-179.4-174.60114K12K12-K16 PolarHBondContact O-N 3.35Å
17N38.3Very low42.5Very low137 Ų137137.2 Ų137.273%0.73374%0.742SS**THydrogen-bonded Turntrans-87.53.5177-89.711.8000114.6Q15Q15-N17 PolarHBondContact O-N 3.33Å
18R41.4Very low42.7Very low213 Ų213141.3 Ų141.380%0.80475%0.745SS**SBendtrans-102.3-8.2-180-101.1-177.6179.1-178.1-1.6114.7Q15Q15-R18 PolarHBondContact O-N 3.29Å
19D41.3Very low42.5Very low140 Ų140145 Ų14575%0.74975%0.748SS**SBendtrans-101.52.9-179.2-73.4-29.7000114.1S21D19-S21 VanDerWaalsContact C-N 3.32Å; D19-S21 PolarHBondContact O-N 2.88Å
20D43.9Very low42.9Very low143 Ų143143.3 Ų143.377%0.76574%0.736SS**  trans-9652.8170.8-72-33.4000111.1
21S40.3Very low43.2Very low101 Ų101148.1 Ų148.171%0.70675%0.745SS**  trans-78.5126.2160.1-75.60000108.1D19 A23D19-S21 VanDerWaalsContact C-N 3.32Å; D19-S21 PolarHBondContact O-N 2.88Å; S21-A23 PolarHBondContact O-N 3.4Å
22P39.3Very low43.4Very low123 Ų123145.1 Ų145.180%0.79974%0.741SS**  trans-60.9134.6-175.224.1-30.6000109.6
23A44.5Very low44.2Very low80 Ų80140.9 Ų140.966%0.66173%0.732SS**  trans-45.9148.3174.900000111.1S21 E25S21-A23 PolarHBondContact O-N 3.4Å; A23-E25 PolarHBondContact O-N 3.31Å
24P41.3Very low45.1Very low112 Ų112141.7 Ų141.773%0.72773%0.729SS**  trans-58.9114.6176.324.9-32.4000108.6N26P24-N26 PolarHBondContact O-N 3.46Å
25E41Very low46.3Very low195 Ų195136.6 Ų136.691%0.91171%0.713SS**  trans-60.389172.5-78.8-166.2139.500109.5A23 G27A23-E25 PolarHBondContact O-N 3.31Å; E25-G27 PolarHBondContact O-N 3.09Å
26N49.1Very low47.9Very low152 Ų152131.1 Ų131.181%0.81369%0.69SS**  trans-78.5105.4155.6-77.9-30.1000106.7P24P24-N26 PolarHBondContact O-N 3.46Å
27G44.8Very low49.7Very low60 Ų60125.8 Ų125.862%0.61967%0.669SS**SBendtrans-160.3-48.2176.900000115.7E25E25-G27 PolarHBondContact O-N 3.09Å
28N47.3Very low51.8Low164 Ų164123.8 Ų123.888%0.87766%0.658SS**  trans-147.677.4-179-77.3-45.2000110.3C30N28-C30 PolarHBondContact O-N 3.07Å
29K43.8Very low53.9Low175 Ų175113.9 Ų113.976%0.76162%0.621SS**  trans-57.4104.2168.8-108.1171.8178.8167.60108.3R31K29-R31 PolarHBondContact O-N 2.97Å; K29-R31 VanDerWaalsContact O-N 3.12Å
30C52Low55.9Low64 Ų64107.3 Ų107.343%0.43259%0.586SS.*  trans-27.4105.1-178.2-164.10000113.4N28 V32 C33N28-C30 PolarHBondContact O-N 3.07Å; C30-V32 PolarHBondContact O-N 3.38Å; C30-V32 VanDerWaalsContact O-N 3.15Å; C30-C33 HydrophobicContact CB-CB 3.97Å; C30-C33 VanDerWaalsContact CB-SG 3.51Å; C30-C33 PolarHBondContact O-N 2.86Å
31R49.9Very low58Low233 Ų233103.9 Ų103.988%0.87957%0.567SS**G310 helixtrans-54-30.5171.9-89.6-178.4174.4-177.5-1.8111.6K29 R34K29-R31 PolarHBondContact O-N 2.97Å; K29-R31 VanDerWaalsContact O-N 3.12Å; R31-R34 PolarHBondContact O-N 3.39Å
32V47.3Very low60.3Low114 Ų114102.3 Ų102.369%0.69155%0.551SS**G310 helixtrans-71.4-29.4179.3-1780000112.3C30 R34 F35C30-V32 PolarHBondContact O-N 3.38Å; C30-V32 VanDerWaalsContact O-N 3.15Å; V32-R34 VanDerWaalsContact C-N 3.31Å; V32-R34 PolarHBondContact O-N 3.39Å; V32-F35 PolarHBondContact O-N 3.43Å
33C55.7Low62.7Low85 Ų8596.8 Ų96.857%0.57451%0.514SS*.G310 helixtrans-72.5-22.4174.5-66.70000113.4C30C30-C33 HydrophobicContact CB-CB 3.97Å; C30-C33 VanDerWaalsContact CB-SG 3.51Å; C30-C33 PolarHBondContact O-N 2.86Å
34R62.8Low64.8Low157 Ų15794.9 Ų94.959%0.59249%0.493SS*.G310 helixtrans-85.1-14.3177.9-65.2-170.7-174175.82.4113.6R31 V32 L37 L38R31-R34 PolarHBondContact O-N 3.39Å; V32-R34 VanDerWaalsContact C-N 3.31Å; V32-R34 PolarHBondContact O-N 3.39Å; R34-L37 PolarHBondContact O-N 2.91Å; R34-L38 WeakPolarHBondContact O-CB 3.04Å; R34-L38 PolarHBondContact O-N 2.88Å
35F68.6Low67.1Low106 Ų10695.3 Ų95.347%0.46549%0.488SS..Hα-helixtrans-64.7-44-174.5-170.2-112000112.7V32 L37 L38 V39 I198V32-F35 PolarHBondContact O-N 3.43Å; F35-L37 PolarHBondContact O-N 3.31Å; F35-L38 PolarHBondContact O-N 2.97Å; F35-V39 WeakPolarHBondContact O-CG2 3.36Å; F35-V39 PolarHBondContact O-N 3.01Å; F35-V39 VanDerWaalsContact O-N 3.1Å; F35-I198 HydrophobicContact CD1-CD1 3.46Å; F35-I198 VanDerWaalsContact CD1-CD1 3.46Å; F35-I198 HydrophobicContact CD1-CG1 3.95Å; F35-I198 HydrophobicContact CE1-CD1 3.21Å; F35-I198 HydrophobicContact CE1-CG1 3.58Å; F35-I198 HydrophobicContact CZ-CD1 4.2Å
36P73.9Confident69.5Low29 Ų2987.4 Ų87.419%0.18845%0.452CS..Hα-helixtrans-65.2-38173.8-22.535.5000113.5V39 A40 Y88P36-V39 PolarHBondContact O-N 2.04Å; P36-A40 PolarHBondContact O-N 2.84Å; P36-Y88 HydrophobicContact CB-CE2 3.75Å
37L76.6Confident71.4Confident58 Ų5880.2 Ų80.230%0.30441%0.414SS..Hα-helixtrans-61.6-45.4175.6175.364000111.1R34 F35 V39 A40 L41 Y88R34-L37 PolarHBondContact O-N 2.91Å; F35-L37 PolarHBondContact O-N 3.31Å; L37-V39 VanDerWaalsContact C-N 3.33Å; L37-V39 PolarHBondContact O-N 2.97Å; L37-A40 PolarHBondContact O-N 2.85Å; L37-L41 HydrophobicContact CD1-CD1 4.06Å; L37-L41 HydrophobicContact CD1-CG 4.14Å; L37-L41 HydrophobicContact CG-CD1 3.97Å; L37-L41 HydrophobicContact CG-CG 4.44Å; L37-L41 WeakPolarHBondContact O-CB 3.19Å; L37-L41 WeakPolarHBondContact O-CG 3.02Å; L37-L41 PolarHBondContact O-N 2.78Å; L37-Y88 HydrophobicContact CB-CE1 3.82Å; L37-Y88 WeakPolarHBondContact CB-OH 3.32Å; L37-Y88 HydrophobicContact CD1-CD1 4.1Å; L37-Y88 HydrophobicContact CD1-CE1 3.51Å; L37-Y88 HydrophobicContact CG-CE1 4.23Å
38L83.4Confident73.5Confident95 Ų9581 Ų8150%0.49741%0.407SS..Hα-helixtrans-62.4-41.5179.2-177.6131.4000111.3R34 F35 L41 L42R34-L38 WeakPolarHBondContact O-CB 3.04Å; R34-L38 PolarHBondContact O-N 2.88Å; F35-L38 PolarHBondContact O-N 2.97Å; L38-L41 PolarHBondContact O-N 3.4Å; L38-L42 HydrophobicContact CD2-CD1 3.62Å; L38-L42 HydrophobicContact CG-CD1 4.18Å; L38-L42 WeakPolarHBondContact O-CB 3.5Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 2.92Å
39V85.9Confident75.6Confident6 Ų674.9 Ų74.94%0.03638%0.378CS..Hα-helixtrans-62.2-47.4174.7171.70000111.2F35 P36 L37 L41 L42 Q43 V191 I198F35-V39 WeakPolarHBondContact O-CG2 3.36Å; F35-V39 PolarHBondContact O-N 3.01Å; F35-V39 VanDerWaalsContact O-N 3.1Å; P36-V39 PolarHBondContact O-N 2.04Å; L37-V39 VanDerWaalsContact C-N 3.33Å; L37-V39 PolarHBondContact O-N 2.97Å; V39-L41 PolarHBondContact O-N 3.04Å; V39-L42 PolarHBondContact O-N 3.47Å; V39-Q43 WeakPolarHBondContact O-CG 3.2Å; V39-Q43 PolarHBondContact O-N 3.07Å; V39-V191 HydrophobicContact CG1-CG1 3.92Å; V39-I198 HydrophobicContact CG2-CD1 3.82Å
40A83.3Confident77.7Confident1 Ų166.5 Ų66.51%0.00834%0.342CS..Hα-helixtrans-62.2-41.1178.800000112.6P36 L37 Q43 L44 Y88P36-A40 PolarHBondContact O-N 2.84Å; L37-A40 PolarHBondContact O-N 2.85Å; A40-Q43 PolarHBondContact O-N 3.4Å; A40-L44 PolarHBondContact O-N 2.9Å; A40-Y88 HydrophobicContact CB-CG 4.37Å
41L86.1Confident79.4Confident71 Ų7164.3 Ų64.337%0.37233%0.327SS..Hα-helixtrans-64.9-42.3175.7-73.4172.9000112L37 L38 V39 L44 L45 F85L37-L41 HydrophobicContact CD1-CD1 4.06Å; L37-L41 HydrophobicContact CD1-CG 4.14Å; L37-L41 HydrophobicContact CG-CD1 3.97Å; L37-L41 HydrophobicContact CG-CG 4.44Å; L37-L41 WeakPolarHBondContact O-CB 3.19Å; L37-L41 WeakPolarHBondContact O-CG 3.02Å; L37-L41 PolarHBondContact O-N 2.78Å; L38-L41 PolarHBondContact O-N 3.4Å; V39-L41 PolarHBondContact O-N 3.04Å; L41-L44 PolarHBondContact O-N 3.14Å; L41-L45 WeakPolarHBondContact O-CG 3.5Å; L41-L45 PolarHBondContact O-N 2.61Å; L41-F85 HydrophobicContact CD2-CD2 4.36Å; L41-F85 HydrophobicContact CD2-CE2 3.69Å; L41-F85 HydrophobicContact CD2-CZ 4.47Å; L41-F85 HydrophobicContact CG-CE2 4.48Å
42L89.4Confident81.3Confident69 Ų6955.7 Ų55.736%0.36131%0.305SS..Hα-helixtrans-63.7-42.9175.9-73.9171.4000111.5L38 V39 L44 L45 L46 V191L38-L42 HydrophobicContact CD2-CD1 3.62Å; L38-L42 HydrophobicContact CG-CD1 4.18Å; L38-L42 WeakPolarHBondContact O-CB 3.5Å; L38-L42 VanDerWaalsContact O-CG 3.25Å; L38-L42 WeakPolarHBondContact O-CG 3.49Å; L38-L42 PolarHBondContact O-N 2.92Å; V39-L42 PolarHBondContact O-N 3.47Å; L42-L44 VanDerWaalsContact C-N 3.28Å; L42-L44 PolarHBondContact O-N 2.92Å; L42-L45 PolarHBondContact O-N 3.33Å; L42-L46 VanDerWaalsContact O-CB 3.3Å; L42-L46 WeakPolarHBondContact O-CB 3.46Å; L42-L46 WeakPolarHBondContact O-CG 3.42Å; L42-L46 PolarHBondContact O-N 3.24Å; L42-V191 HydrophobicContact CB-CG1 3.9Å; L42-V191 HydrophobicContact CB-CG2 4.21Å; L42-V191 HydrophobicContact CD1-CG2 4.5Å
43Q89.3Confident83.2Confident6 Ų651.2 Ų51.23%0.02828%0.277CS..Hα-helixtrans-57-43.6174.7-74.5-178.3-44.300111.5V39 A40 G47 S81 Y108 C112 Q188 V191 C192V39-Q43 WeakPolarHBondContact O-CG 3.2Å; V39-Q43 PolarHBondContact O-N 3.07Å; A40-Q43 PolarHBondContact O-N 3.4Å; Q43-G47 WeakPolarHBondContact O-CA 3.48Å; Q43-G47 PolarHBondContact O-N 3.25Å; Q43-S81 WeakPolarHBondContact O-CB 3.45Å; Q43-S81 PolarHBondContact O-OG 2.98Å; Q43-S81 VanDerWaalsContact O-OG 3.07Å; Q43-Y108 PolarHBondContact OE1-OH 3.18Å; Q43-C112 PolarHBondContact NE2-SG 3.35Å; Q43-Q188 PolarHBondContact O-NE2 3.19Å; Q43-V191 HydrophobicContact CB-CG1 4.49Å; Q43-V191 HydrophobicContact CG-CB 4.46Å; Q43-V191 HydrophobicContact CG-CG1 3.5Å; Q43-V191 VanDerWaalsContact CG-CG1 3.5Å; Q43-C192 PolarHBondContact NE2-SG 3.11Å; Q43-C192 VanDerWaalsContact NE2-SG 3.4Å
44L88.4Confident84.5Confident41 Ų4147.2 Ų47.222%0.21525%0.25CC..Hα-helixtrans-65.5-49.9178.6-175.964.4000112.3A40 L41 L42 L46 G47 V48 I82 F85A40-L44 PolarHBondContact O-N 2.9Å; L41-L44 PolarHBondContact O-N 3.14Å; L42-L44 VanDerWaalsContact C-N 3.28Å; L42-L44 PolarHBondContact O-N 2.92Å; L44-L46 PolarHBondContact O-N 2.93Å; L44-G47 PolarHBondContact O-N 2.9Å; L44-V48 HydrophobicContact CD1-CG2 4.47Å; L44-V48 WeakPolarHBondContact O-CG2 3.2Å; L44-V48 PolarHBondContact O-N 2.82Å; L44-I82 HydrophobicContact CD1-CG1 3.99Å; L44-F85 HydrophobicContact CD2-CD1 4.49Å; L44-F85 HydrophobicContact CD2-CD2 4.39Å; L44-F85 HydrophobicContact CD2-CG 4.22Å
45L91.3Very high85.5Confident121 Ų12144.7 Ų44.763%0.63424%0.243SC*.Hα-helixtrans-61.7-45.8-179.1-71.8171.6000111.7L41 L42 V48 A49L41-L45 WeakPolarHBondContact O-CG 3.5Å; L41-L45 PolarHBondContact O-N 2.61Å; L42-L45 PolarHBondContact O-N 3.33Å; L45-V48 PolarHBondContact O-N 2.81Å; L45-A49 WeakPolarHBondContact O-CB 3.44Å; L45-A49 PolarHBondContact O-N 3.28Å
46L90.6Very high86.2Confident29 Ų2943.7 Ų43.715%0.15224%0.242CC..Hα-helixtrans-67.7-40.3177.4-72.7169.2000111.6L42 L44 V48 A49 V50 L184 A187 Q188 V191L42-L46 VanDerWaalsContact O-CB 3.3Å; L42-L46 WeakPolarHBondContact O-CB 3.46Å; L42-L46 WeakPolarHBondContact O-CG 3.42Å; L42-L46 PolarHBondContact O-N 3.24Å; L44-L46 PolarHBondContact O-N 2.93Å; L46-V48 PolarHBondContact O-N 3Å; L46-A49 PolarHBondContact O-N 3.3Å; L46-V50 WeakPolarHBondContact O-CB 3.33Å; L46-V50 VanDerWaalsContact O-CG2 3.25Å; L46-V50 WeakPolarHBondContact O-CG2 3.19Å; L46-V50 PolarHBondContact O-N 3.29Å; L46-L184 HydrophobicContact CD2-CD2 4.22Å; L46-A187 HydrophobicContact CD1-CB 4.14Å; L46-A187 HydrophobicContact CD2-CB 4.11Å; L46-Q188 HydrophobicContact CB-CB 4.39Å; L46-V191 HydrophobicContact CD1-CB 4.46Å; L46-V191 HydrophobicContact CD1-CG2 3.83Å
47G88.4Confident86.4Confident0 Ų042.3 Ų42.30%023%0.233CC..Hα-helixtrans-55.9-50.8173.500000111.7Q43 L44 A49 V50 T51Q43-G47 WeakPolarHBondContact O-CA 3.48Å; Q43-G47 PolarHBondContact O-N 3.25Å; L44-G47 PolarHBondContact O-N 2.9Å; G47-A49 PolarHBondContact O-N 3.12Å; G47-V50 PolarHBondContact O-N 3.45Å; G47-T51 PolarHBondContact O-N 3.38Å; G47-T51 PolarHBondContact O-OG1 3.24Å
48V89.4Confident86.4Confident78 Ų7842.9 Ų42.947%0.47324%0.237SC..Hα-helixtrans-60.2-44.3176.61710000111.7L44 L45 L46 T51 A52L44-V48 HydrophobicContact CD1-CG2 4.47Å; L44-V48 WeakPolarHBondContact O-CG2 3.2Å; L44-V48 PolarHBondContact O-N 2.82Å; L45-V48 PolarHBondContact O-N 2.81Å; L46-V48 PolarHBondContact O-N 3Å; V48-T51 PolarHBondContact O-N 3.38Å; V48-A52 WeakPolarHBondContact O-CB 3.06Å; V48-A52 PolarHBondContact O-N 3.46Å
49A90.6Very high86.1Confident34 Ų3442.1 Ų42.128%0.28124%0.244SC..Hα-helixtrans-61.9-45.9178.400000112.1L45 L46 G47 T51 A52 M53 L184L45-A49 WeakPolarHBondContact O-CB 3.44Å; L45-A49 PolarHBondContact O-N 3.28Å; L46-A49 PolarHBondContact O-N 3.3Å; G47-A49 PolarHBondContact O-N 3.12Å; A49-T51 VanDerWaalsContact C-N 3.31Å; A49-T51 PolarHBondContact O-N 3.18Å; A49-A52 PolarHBondContact O-N 3Å; A49-M53 WeakPolarHBondContact O-CG 3.4Å; A49-M53 PolarHBondContact O-N 3.13Å; A49-L184 HydrophobicContact CB-CD1 4.44Å; A49-L184 HydrophobicContact CB-CD2 4.34Å
50V89.2Confident85.2Confident0 Ų044.3 Ų44.30%026%0.255CS..Hα-helixtrans-60.4-40.9176.61670000111.3L46 G47 A54 L77 L184L46-V50 WeakPolarHBondContact O-CB 3.33Å; L46-V50 VanDerWaalsContact O-CG2 3.25Å; L46-V50 WeakPolarHBondContact O-CG2 3.19Å; L46-V50 PolarHBondContact O-N 3.29Å; G47-V50 PolarHBondContact O-N 3.45Å; V50-A54 PolarHBondContact O-N 2.93Å; V50-A54 VanDerWaalsContact O-N 3.08Å; V50-L77 HydrophobicContact CG1-CD1 3.86Å; V50-L184 HydrophobicContact CG2-CB 3.73Å
51T88.1Confident84.3Confident18 Ų1844.3 Ų44.311%0.1126%0.255CS..Hα-helixtrans-65.4-47.4175.5-51.90000111.6G47 V48 A49 M53 A54 F55 G74 C78G47-T51 PolarHBondContact O-N 3.38Å; G47-T51 PolarHBondContact O-OG1 3.24Å; V48-T51 PolarHBondContact O-N 3.38Å; A49-T51 VanDerWaalsContact C-N 3.31Å; A49-T51 PolarHBondContact O-N 3.18Å; T51-M53 VanDerWaalsContact C-N 3.32Å; T51-M53 PolarHBondContact O-N 3.04Å; T51-A54 PolarHBondContact O-N 3.14Å; T51-A54 VanDerWaalsContact O-N 3.13Å; T51-F55 HydrophobicContact CG2-CD2 3.74Å; T51-F55 HydrophobicContact CG2-CE2 3.54Å; T51-F55 VanDerWaalsContact O-CD2 3.28Å; T51-F55 WeakPolarHBondContact O-CD2 3.09Å; T51-F55 PolarHBondContact O-N 3Å; T51-G74 PolarHBondContact OG1-O 3.49Å; T51-C78 WeakPolarHBondContact OG1-CB 3.48Å
52A88.7Confident82.9Confident51 Ų5145.7 Ų45.742%0.42127%0.268SS..Hα-helixtrans-58-45.6178.600000111.2V48 A49 A54 F55 L56V48-A52 WeakPolarHBondContact O-CB 3.06Å; V48-A52 PolarHBondContact O-N 3.46Å; A49-A52 PolarHBondContact O-N 3Å; A52-A54 VanDerWaalsContact C-N 3.33Å; A52-A54 PolarHBondContact O-N 3.39Å; A52-F55 PolarHBondContact O-N 2.98Å; A52-L56 WeakPolarHBondContact O-CG 3.49Å; A52-L56 PolarHBondContact O-N 3.3Å
53M86.5Confident81.3Confident20 Ų2044.2 Ų44.210%0.09926%0.263CS..Hα-helixtrans-60.5-41.4175.5-72-50.7-50.900112.6A49 T51 F55 L56 M57 Y177 L180 Q181 L184A49-M53 WeakPolarHBondContact O-CG 3.4Å; A49-M53 PolarHBondContact O-N 3.13Å; T51-M53 VanDerWaalsContact C-N 3.32Å; T51-M53 PolarHBondContact O-N 3.04Å; M53-F55 VanDerWaalsContact C-N 3.35Å; M53-F55 PolarHBondContact O-N 3.26Å; M53-L56 PolarHBondContact O-N 3.42Å; M53-L56 HydrophobicContact SD-CD1 4.04Å; M53-M57 WeakPolarHBondContact O-CG 3.36Å; M53-M57 PolarHBondContact O-N 3.43Å; M53-Y177 HydrophobicContact CE-CD1 3.48Å; M53-Y177 VanDerWaalsContact CE-CD1 3.48Å; M53-Y177 HydrophobicContact CE-CE1 3.94Å; M53-Y177 HydrophobicContact CE-CG 4.02Å; M53-L180 HydrophobicContact CE-CD2 3.65Å; M53-L180 HydrophobicContact CE-CG 4.45Å; M53-L180 HydrophobicContact CG-CD2 4.27Å; M53-L180 HydrophobicContact SD-CD2 3.62Å; M53-Q181 VanDerWaalsContact CB-OE1 3.23Å; M53-L184 HydrophobicContact CG-CD1 3.71Å
54A83.7Confident79.8Confident1 Ų144.5 Ų44.51%0.00827%0.265CS..Hα-helixtrans-64.8-37.8178.800000112.8V50 T51 A52 L58 H71V50-A54 PolarHBondContact O-N 2.93Å; V50-A54 VanDerWaalsContact O-N 3.08Å; T51-A54 PolarHBondContact O-N 3.14Å; T51-A54 VanDerWaalsContact O-N 3.13Å; A52-A54 VanDerWaalsContact C-N 3.33Å; A52-A54 PolarHBondContact O-N 3.39Å; A54-L58 PolarHBondContact O-N 3.09Å; A54-L58 VanDerWaalsContact O-N 3.12Å; A54-H71 HydrophobicContact CB-CB 4.32Å
55F83.8Confident78.1Confident104 Ų10447.6 Ų47.646%0.45628%0.28SS..Hα-helixtrans-71.6-35.5173.9-79.6-72.8000112.9T51 A52 M53 L58 A59 I75T51-F55 HydrophobicContact CG2-CD2 3.74Å; T51-F55 HydrophobicContact CG2-CE2 3.54Å; T51-F55 VanDerWaalsContact O-CD2 3.28Å; T51-F55 WeakPolarHBondContact O-CD2 3.09Å; T51-F55 PolarHBondContact O-N 3Å; A52-F55 PolarHBondContact O-N 2.98Å; M53-F55 VanDerWaalsContact C-N 3.35Å; M53-F55 PolarHBondContact O-N 3.26Å; F55-L58 WeakPolarHBondContact O-CB 3.5Å; F55-L58 PolarHBondContact O-N 3.34Å; F55-A59 PolarHBondContact O-N 3.31Å; F55-I75 HydrophobicContact CZ-CG1 4.45Å
56L83.3Confident76.2Confident85 Ų8545 Ų4545%0.44528%0.275SS..Hα-helixtrans-62.4-43.3173.2-73.7170.4000111.4A52 M53 L58 A59 I60A52-L56 WeakPolarHBondContact O-CG 3.49Å; A52-L56 PolarHBondContact O-N 3.3Å; M53-L56 PolarHBondContact O-N 3.42Å; M53-L56 HydrophobicContact SD-CD1 4.04Å; L56-L58 VanDerWaalsContact C-N 3.33Å; L56-L58 PolarHBondContact O-N 3.02Å; L56-A59 PolarHBondContact O-N 2.93Å; L56-I60 WeakPolarHBondContact O-CD1 3.42Å; L56-I60 WeakPolarHBondContact O-CG1 3.39Å; L56-I60 PolarHBondContact O-N 3.44Å
57M78.2Confident74.2Confident0 Ų051.1 Ų51.10%030%0.297CS..Hα-helixtrans-63.7-38.1175.4-68.2-176.788.300112.2M53 A59 I60 S61 L174 Y177 F178M53-M57 WeakPolarHBondContact O-CG 3.36Å; M53-M57 PolarHBondContact O-N 3.43Å; M57-A59 VanDerWaalsContact C-N 3.34Å; M57-I60 PolarHBondContact O-N 3.49Å; M57-S61 PolarHBondContact O-N 2.92Å; M57-L174 HydrophobicContact CE-CD1 3.68Å; M57-Y177 HydrophobicContact CG-CD2 3.91Å; M57-Y177 HydrophobicContact CG-CG 4.14Å; M57-F178 HydrophobicContact CE-CD1 3.63Å; M57-F178 HydrophobicContact CE-CD2 4.34Å; M57-F178 HydrophobicContact CE-CE1 3.56Å; M57-F178 HydrophobicContact CE-CE2 4.29Å; M57-F178 HydrophobicContact CE-CG 4.01Å; M57-F178 HydrophobicContact CE-CZ 3.9Å
58L77.8Confident72.6Confident71 Ų7152.4 Ų52.437%0.37230%0.302SS..Hα-helixtrans-61.9-41.4174.6-168.897.3000111.8A54 F55 L56 I60 S61A54-L58 PolarHBondContact O-N 3.09Å; A54-L58 VanDerWaalsContact O-N 3.12Å; F55-L58 WeakPolarHBondContact O-CB 3.5Å; F55-L58 PolarHBondContact O-N 3.34Å; L56-L58 VanDerWaalsContact C-N 3.33Å; L56-L58 PolarHBondContact O-N 3.02Å; L58-I60 VanDerWaalsContact C-N 3.34Å; L58-S61 CarbonylContact O-C 3.59Å
59A75.8Confident71.2Confident78 Ų7848.8 Ų48.865%0.64528%0.28SS*.Hα-helixtrans-68.7-32.4-178.500000113.1F55 L56 M57F55-A59 PolarHBondContact O-N 3.31Å; L56-A59 PolarHBondContact O-N 2.93Å; M57-A59 VanDerWaalsContact C-N 3.34Å
60I68.3Low69.9Low53 Ų5347.8 Ų47.827%0.27227%0.271SS..Hα-helixtrans-86.6-21.8-173.5-68.1166.6000112.1L56 M57 L58 T169 Y177L56-I60 WeakPolarHBondContact O-CD1 3.42Å; L56-I60 WeakPolarHBondContact O-CG1 3.39Å; L56-I60 PolarHBondContact O-N 3.44Å; M57-I60 PolarHBondContact O-N 3.49Å; L58-I60 VanDerWaalsContact C-N 3.34Å; I60-T169 HydrophobicContact CG2-CG2 4.19Å; I60-Y177 HydrophobicContact CD1-CD2 4.49Å; I60-Y177 HydrophobicContact CD1-CE2 3.34Å; I60-Y177 WeakPolarHBondContact CD1-OH 3.48Å
61S63.1Low69Low1 Ų149.7 Ų49.71%0.00728%0.28CS..  trans-146.785175-72.20000110.1M57 L58 S63 L64M57-S61 PolarHBondContact O-N 2.92Å; L58-S61 CarbonylContact O-C 3.59Å; S61-S63 PolarHBondContact O-N 3.25Å; S61-S63 VanDerWaalsContact O-N 3.13Å; S61-L64 WeakPolarHBondContact O-CB 3.36Å; S61-L64 PolarHBondContact O-N 2.87Å
62P56.5Low68.3Low100 Ų10053.4 Ų53.465%0.64929%0.292SS*.THydrogen-bonded Turntrans-64.5-15.4178.726-33.6000112.8
63S56.2Low67.7Low37 Ų3751 Ų5126%0.25927%0.272SS..THydrogen-bonded Turntrans-78.3-14.5173.462.70000114S61 M65 D160 Y161S61-S63 PolarHBondContact O-N 3.25Å; S61-S63 VanDerWaalsContact O-N 3.13Å; S63-M65 PolarHBondContact O-N 3.48Å; S63-D160 WeakPolarHBondContact CB-O 3.42Å; S63-D160 PolarHBondContact OG-O 3.43Å; S63-Y161 WeakPolarHBondContact OG-CA 3.19Å
64L57.9Low67.2Low12 Ų1250.1 Ų50.16%0.06327%0.268CS..SBendtrans-64.9102.9171.7-75.4165.7000107.8S61 A66 T69 Y161 L174S61-L64 WeakPolarHBondContact O-CB 3.36Å; S61-L64 PolarHBondContact O-N 2.87Å; L64-A66 PolarHBondContact O-N 2.81Å; L64-T69 HydrophobicContact CB-CG2 3.56Å; L64-T69 HydrophobicContact CD1-CG2 3.87Å; L64-T69 HydrophobicContact CG-CG2 4.25Å; L64-Y161 HydrophobicContact CD2-CE1 3.91Å; L64-Y161 HydrophobicContact CG-CE1 4.16Å; L64-L174 HydrophobicContact CD1-CD1 3.71Å; L64-L174 HydrophobicContact CD1-CD2 4.41Å; L64-L174 HydrophobicContact CD2-CD2 4.47Å
65M53.2Low67Low107 Ų10753.6 Ų53.653%0.52729%0.286SS..  trans-47.4144-178.7-75.3-112.2-76.800110.7S63 R67 E68 T69S63-M65 PolarHBondContact O-N 3.48Å; M65-R67 PolarHBondContact O-N 2.81Å; M65-E68 HydrophobicContact CB-CG 4.34Å; M65-E68 PolarHBondContact O-N 3.04Å; M65-T69 PolarHBondContact O-N 3.1Å
66A50Low66.8Low66 Ų6651.8 Ų51.855%0.54528%0.28SS..THydrogen-bonded Turntrans-56.5-16.117800000113.7L64 H71L64-A66 PolarHBondContact O-N 2.81Å; A66-H71 PolarHBondContact O-CE1 2.95Å; A66-H71 VanDerWaalsContact O-CE1 3.3Å
67R49.2Very low66.5Low158 Ų15847.8 Ų47.860%0.59626%0.259SS*.THydrogen-bonded Turntrans-77-22.2173.5-166.7175.369.4-168.4-0.6113.8M65M65-R67 PolarHBondContact O-N 2.81Å
68E55.5Low66.6Low26 Ų2649 Ų4912%0.12127%0.267CS..THydrogen-bonded Turntrans-110.6-5.3-169.1-56.5-165176.600112.6M65 H129 R157M65-E68 HydrophobicContact CB-CG 4.34Å; M65-E68 PolarHBondContact O-N 3.04Å; E68-H129 IonicContact OE2-CE1 3.99Å; E68-R157 IonicContact OE1-NH2 3.43Å; E68-R157 PolarHBondContact OE1-NH2 3.48Å
69T59.7Low66.8Low2 Ų250.3 Ų50.31%0.01227%0.274CS..SBendtrans-114.5137.2175.548.90000112.3L64 M65 H71 W72L64-T69 HydrophobicContact CB-CG2 3.56Å; L64-T69 HydrophobicContact CD1-CG2 3.87Å; L64-T69 HydrophobicContact CG-CG2 4.25Å; M65-T69 PolarHBondContact O-N 3.1Å; T69-H71 PolarHBondContact O-N 2.98Å; T69-H71 PolarHBondContact O-ND1 2.87Å; T69-H71 VanDerWaalsContact O-ND1 3.16Å; T69-H71 PolarHBondContact OG1-ND1 3.28Å; T69-W72 PolarHBondContact O-NE1 2.95Å
70P63Low67Low13 Ų1347.3 Ų47.38%0.08425%0.248CC..THydrogen-bonded Turntrans-78.724.5-176.532.9-36000113.9W72 A73 G74 V122 Q181P70-W72 VanDerWaalsContact C-N 3.3Å; P70-W72 PolarHBondContact O-N 3.42Å; P70-A73 HydrophobicContact CB-CB 4.3Å; P70-A73 CarbonylContact O-C 3.54Å; P70-A73 WeakPolarHBondContact O-CB 3.42Å; P70-A73 PolarHBondContact O-N 3.46Å; P70-G74 PolarHBondContact O-N 3.46Å; P70-V122 HydrophobicContact CB-CG1 3.93Å; P70-V122 HydrophobicContact CB-CG2 4.21Å; P70-V122 HydrophobicContact CG-CG1 4.39Å; P70-Q181 HydrophobicContact CG-CG 4.13Å
71H70.3Confident67.5Low41 Ų4144.9 Ų44.919%0.1924%0.236CC..Hα-helixtrans-61.2-39-178.865.5-80000112.1A54 A66 T69 A73 G74 I75A54-H71 HydrophobicContact CB-CB 4.32Å; A66-H71 PolarHBondContact O-CE1 2.95Å; A66-H71 VanDerWaalsContact O-CE1 3.3Å; T69-H71 PolarHBondContact O-N 2.98Å; T69-H71 PolarHBondContact O-ND1 2.87Å; T69-H71 VanDerWaalsContact O-ND1 3.16Å; T69-H71 PolarHBondContact OG1-ND1 3.28Å; H71-A73 VanDerWaalsContact C-N 3.32Å; H71-A73 PolarHBondContact O-N 3.35Å; H71-G74 PolarHBondContact O-N 3.28Å; H71-I75 VanDerWaalsContact O-CG1 3.32Å; H71-I75 WeakPolarHBondContact O-CG1 3.43Å; H71-I75 PolarHBondContact O-N 3.13Å
72W73.8Confident68.4Low96 Ų9647.9 Ų47.936%0.36425%0.251SS..Hα-helixtrans-58.8-43.1171.859.1-88.5000111.8T69 P70 I75 I76T69-W72 PolarHBondContact O-NE1 2.95Å; P70-W72 VanDerWaalsContact C-N 3.3Å; P70-W72 PolarHBondContact O-N 3.42Å; W72-I75 PolarHBondContact O-N 3.42Å; W72-I76 HydrophobicContact CE3-CD1 4.12Å; W72-I76 WeakPolarHBondContact O-CD1 3.42Å; W72-I76 VanDerWaalsContact O-CG1 3.28Å; W72-I76 WeakPolarHBondContact O-CG1 3.23Å; W72-I76 PolarHBondContact O-N 3Å; W72-I76 VanDerWaalsContact O-N 3.16Å
73A75.6Confident69.6Low0 Ų046.2 Ų46.20%024%0.239CC..Hα-helixtrans-70.3-38.9178.500000111.9P70 H71 I75 I76 L77 I118 V122P70-A73 HydrophobicContact CB-CB 4.3Å; P70-A73 CarbonylContact O-C 3.54Å; P70-A73 WeakPolarHBondContact O-CB 3.42Å; P70-A73 PolarHBondContact O-N 3.46Å; H71-A73 VanDerWaalsContact C-N 3.32Å; H71-A73 PolarHBondContact O-N 3.35Å; A73-I75 VanDerWaalsContact C-N 3.35Å; A73-I75 PolarHBondContact O-N 3.41Å; A73-I76 PolarHBondContact O-N 3.32Å; A73-L77 WeakPolarHBondContact O-CB 3.31Å; A73-L77 VanDerWaalsContact O-CG 3.31Å; A73-L77 WeakPolarHBondContact O-CG 3.15Å; A73-L77 PolarHBondContact O-N 2.95Å; A73-I118 HydrophobicContact CB-CG2 3.92Å; A73-V122 HydrophobicContact CB-CG2 3.28Å
74G75.6Confident70.5Confident1 Ų144.5 Ų44.51%0.0123%0.227CC..Hα-helixtrans-61.2-40.3174.800000112.7T51 P70 H71 C78T51-G74 PolarHBondContact OG1-O 3.49Å; P70-G74 PolarHBondContact O-N 3.46Å; H71-G74 PolarHBondContact O-N 3.28Å; G74-C78 WeakPolarHBondContact O-CB 3.12Å; G74-C78 PolarHBondContact O-N 3.08Å
75I79.6Confident71.4Confident75 Ų7546.7 Ų46.739%0.38524%0.236SC..Hα-helixtrans-63.9-47.5174.8-67.4163.4000110.5F55 H71 W72 A73 L77 C78 L79F55-I75 HydrophobicContact CZ-CG1 4.45Å; H71-I75 VanDerWaalsContact O-CG1 3.32Å; H71-I75 WeakPolarHBondContact O-CG1 3.43Å; H71-I75 PolarHBondContact O-N 3.13Å; W72-I75 PolarHBondContact O-N 3.42Å; A73-I75 VanDerWaalsContact C-N 3.35Å; A73-I75 PolarHBondContact O-N 3.41Å; I75-L77 PolarHBondContact O-N 3.27Å; I75-C78 WeakPolarHBondContact O-CB 3.4Å; I75-C78 PolarHBondContact O-N 3.22Å; I75-L79 HydrophobicContact CG2-CD1 4.16Å; I75-L79 WeakPolarHBondContact O-CG 3.4Å; I75-L79 PolarHBondContact O-N 3.05Å
76I80.6Confident72.6Confident66 Ų6647.6 Ų47.634%0.33824%0.237SC..Hα-helixtrans-63.6-43.8-179.7-60.9161.1000110.7W72 A73 C78 L79 V80 I118W72-I76 HydrophobicContact CE3-CD1 4.12Å; W72-I76 WeakPolarHBondContact O-CD1 3.42Å; W72-I76 VanDerWaalsContact O-CG1 3.28Å; W72-I76 WeakPolarHBondContact O-CG1 3.23Å; W72-I76 PolarHBondContact O-N 3Å; W72-I76 VanDerWaalsContact O-N 3.16Å; A73-I76 PolarHBondContact O-N 3.32Å; I76-C78 VanDerWaalsContact C-N 3.3Å; I76-C78 PolarHBondContact O-N 3.35Å; I76-L79 PolarHBondContact O-N 2.89Å; I76-V80 HydrophobicContact CG2-CG2 4.15Å; I76-V80 WeakPolarHBondContact O-CB 3.34Å; I76-V80 VanDerWaalsContact O-CG2 3.25Å; I76-V80 WeakPolarHBondContact O-CG2 3.25Å; I76-V80 PolarHBondContact O-N 3.5Å; I76-I118 HydrophobicContact CB-CD1 4.07Å; I76-I118 HydrophobicContact CG2-CD1 3.28Å
77L75.8Confident73.5Confident0 Ų045.8 Ų45.80%022%0.218CC..Hα-helixtrans-62.9-36.2177.6-74171.7000112.4V50 A73 I75 S81 I118 N185V50-L77 HydrophobicContact CG1-CD1 3.86Å; A73-L77 WeakPolarHBondContact O-CB 3.31Å; A73-L77 VanDerWaalsContact O-CG 3.31Å; A73-L77 WeakPolarHBondContact O-CG 3.15Å; A73-L77 PolarHBondContact O-N 2.95Å; I75-L77 PolarHBondContact O-N 3.27Å; L77-S81 WeakPolarHBondContact O-CB 3.43Å; L77-S81 PolarHBondContact O-N 3.44Å; L77-S81 PolarHBondContact O-OG 3.46Å; L77-I118 HydrophobicContact CD1-CG2 4.05Å; L77-I118 HydrophobicContact CD2-CB 4.08Å; L77-I118 HydrophobicContact CD2-CG2 3.94Å; L77-I118 HydrophobicContact CG-CB 4.44Å; L77-I118 HydrophobicContact CG-CG2 3.75Å; L77-N185 WeakPolarHBondContact CD1-OD1 3.31Å
78C81.3Confident74.5Confident25 Ų2539.9 Ų39.917%0.16920%0.196CC..Hα-helixtrans-63.7-49.9173.8-164.30000111.3T51 G74 I75 I76 V80 S81 I82T51-C78 WeakPolarHBondContact OG1-CB 3.48Å; G74-C78 WeakPolarHBondContact O-CB 3.12Å; G74-C78 PolarHBondContact O-N 3.08Å; I75-C78 WeakPolarHBondContact O-CB 3.4Å; I75-C78 PolarHBondContact O-N 3.22Å; I76-C78 VanDerWaalsContact C-N 3.3Å; I76-C78 PolarHBondContact O-N 3.35Å; C78-V80 PolarHBondContact O-N 2.89Å; C78-S81 PolarHBondContact O-N 3.45Å; C78-S81 VanDerWaalsContact O-N 3.15Å; C78-I82 WeakPolarHBondContact O-CB 3.36Å; C78-I82 VanDerWaalsContact O-CG1 3.3Å; C78-I82 WeakPolarHBondContact O-CG1 3.37Å; C78-I82 PolarHBondContact O-N 3.42Å
79L81.3Confident75.1Confident100 Ų10041.7 Ų41.752%0.52421%0.211SC..Hα-helixtrans-60.6-45178.6-69.1173.8000111.8I75 I76 S81 I82 V83I75-L79 HydrophobicContact CG2-CD1 4.16Å; I75-L79 WeakPolarHBondContact O-CG 3.4Å; I75-L79 PolarHBondContact O-N 3.05Å; I76-L79 PolarHBondContact O-N 2.89Å; L79-S81 VanDerWaalsContact C-N 3.26Å; L79-S81 PolarHBondContact O-N 3.12Å; L79-I82 PolarHBondContact O-N 3.04Å; L79-V83 WeakPolarHBondContact O-CB 3.37Å; L79-V83 VanDerWaalsContact O-CG2 3.23Å; L79-V83 WeakPolarHBondContact O-CG2 3.43Å; L79-V83 PolarHBondContact O-N 3.46Å
80V80.2Confident75.5Confident15 Ų1547.8 Ų47.89%0.09124%0.242CC..Hα-helixtrans-57.6-42.6176.1166.80000110.8I76 C78 G84 L111I76-V80 HydrophobicContact CG2-CG2 4.15Å; I76-V80 WeakPolarHBondContact O-CB 3.34Å; I76-V80 VanDerWaalsContact O-CG2 3.25Å; I76-V80 WeakPolarHBondContact O-CG2 3.25Å; I76-V80 PolarHBondContact O-N 3.5Å; C78-V80 PolarHBondContact O-N 2.89Å; V80-G84 PolarHBondContact O-N 2.75Å; V80-L111 HydrophobicContact CB-CD2 4.44Å; V80-L111 HydrophobicContact CG1-CB 4.1Å; V80-L111 HydrophobicContact CG1-CD2 4.22Å; V80-L111 VanDerWaalsContact CG1-O 3.31Å; V80-L111 WeakPolarHBondContact CG1-O 3.31Å; V80-L111 HydrophobicContact CG2-CD2 4.16Å
81S79.6Confident75.5Confident2 Ų249.1 Ų49.11%0.01425%0.25CS..Hα-helixtrans-72.8-39.6-178.4-530000112.5Q43 L77 C78 L79 G84 F85 Q188Q43-S81 WeakPolarHBondContact O-CB 3.45Å; Q43-S81 PolarHBondContact O-OG 2.98Å; Q43-S81 VanDerWaalsContact O-OG 3.07Å; L77-S81 WeakPolarHBondContact O-CB 3.43Å; L77-S81 PolarHBondContact O-N 3.44Å; L77-S81 PolarHBondContact O-OG 3.46Å; C78-S81 PolarHBondContact O-N 3.45Å; C78-S81 VanDerWaalsContact O-N 3.15Å; L79-S81 VanDerWaalsContact C-N 3.26Å; L79-S81 PolarHBondContact O-N 3.12Å; S81-G84 PolarHBondContact O-N 3.26Å; S81-F85 WeakPolarHBondContact O-CB 3.42Å; S81-F85 PolarHBondContact O-N 2.88Å; S81-Q188 PolarHBondContact OG-NE2 3.02Å
82I82.1Confident75.1Confident64 Ų6454.7 Ų54.733%0.32827%0.271SS..Hα-helixtrans-62.8-51.9174.8-70.7167.7000110.2L44 C78 L79 G84 F85 F86L44-I82 HydrophobicContact CD1-CG1 3.99Å; C78-I82 WeakPolarHBondContact O-CB 3.36Å; C78-I82 VanDerWaalsContact O-CG1 3.3Å; C78-I82 WeakPolarHBondContact O-CG1 3.37Å; C78-I82 PolarHBondContact O-N 3.42Å; L79-I82 PolarHBondContact O-N 3.04Å; I82-G84 VanDerWaalsContact C-N 3.32Å; I82-G84 PolarHBondContact O-N 3.29Å; I82-F85 PolarHBondContact O-N 3.4Å; I82-F86 HydrophobicContact CG2-CD2 3.59Å; I82-F86 HydrophobicContact CG2-CE2 3.56Å; I82-F86 VanDerWaalsContact O-CD2 3.25Å; I82-F86 WeakPolarHBondContact O-CD2 3.39Å; I82-F86 PolarHBondContact O-N 2.97Å
83V80.8Confident74.2Confident65 Ų6558.1 Ų58.139%0.39429%0.291SS..Hα-helixtrans-62.2-42.2179.5177.40000110.4L79 F85 F86 L87 L111L79-V83 WeakPolarHBondContact O-CB 3.37Å; L79-V83 VanDerWaalsContact O-CG2 3.23Å; L79-V83 WeakPolarHBondContact O-CG2 3.43Å; L79-V83 PolarHBondContact O-N 3.46Å; V83-F85 VanDerWaalsContact C-N 3.33Å; V83-F85 PolarHBondContact O-N 2.84Å; V83-F86 PolarHBondContact O-N 3.24Å; V83-L87 HydrophobicContact CG1-CD1 3.91Å; V83-L87 HydrophobicContact CG1-CG 4.19Å; V83-L87 WeakPolarHBondContact O-CB 3.16Å; V83-L87 VanDerWaalsContact O-CG 3.26Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3.45Å; V83-L111 HydrophobicContact CB-CD1 4.19Å; V83-L111 HydrophobicContact CG1-CD1 3.67Å
84G75.8Confident73.3Confident1 Ų162.5 Ų62.51%0.0132%0.319CS..Hα-helixtrans-58.6-43.2175.200000112.9V80 S81 I82 Y88V80-G84 PolarHBondContact O-N 2.75Å; S81-G84 PolarHBondContact O-N 3.26Å; I82-G84 VanDerWaalsContact C-N 3.32Å; I82-G84 PolarHBondContact O-N 3.29Å; G84-Y88 WeakPolarHBondContact O-CB 3.49Å; G84-Y88 PolarHBondContact O-N 2.93Å
85F77.1Confident72.1Confident57 Ų5768.4 Ų68.425%0.2535%0.351CS..Hα-helixtrans-65.7-43.9175.9-176.4-101.4000112.5L41 L44 S81 I82 V83 Y88 C89L41-F85 HydrophobicContact CD2-CD2 4.36Å; L41-F85 HydrophobicContact CD2-CE2 3.69Å; L41-F85 HydrophobicContact CD2-CZ 4.47Å; L41-F85 HydrophobicContact CG-CE2 4.48Å; L44-F85 HydrophobicContact CD2-CD1 4.49Å; L44-F85 HydrophobicContact CD2-CD2 4.39Å; L44-F85 HydrophobicContact CD2-CG 4.22Å; S81-F85 WeakPolarHBondContact O-CB 3.42Å; S81-F85 PolarHBondContact O-N 2.88Å; I82-F85 PolarHBondContact O-N 3.4Å; V83-F85 VanDerWaalsContact C-N 3.33Å; V83-F85 PolarHBondContact O-N 2.84Å; F85-Y88 WeakPolarHBondContact O-CB 3.44Å; F85-Y88 PolarHBondContact O-N 3.31Å; F85-C89 VanDerWaalsContact CE1-SG 3.58Å; F85-C89 PolarHBondContact O-N 3.27Å; F85-C89 PolarHBondContact O-SG 3.44Å; F85-C89 VanDerWaalsContact O-SG 3.34Å
86F77.1Confident70.9Confident126 Ų12672.8 Ų72.855%0.55337%0.37SS*.Hα-helixtrans-61.9-45.8176.2-87-71.5000112.3I82 V83 Y88 C89 I90I82-F86 HydrophobicContact CG2-CD2 3.59Å; I82-F86 HydrophobicContact CG2-CE2 3.56Å; I82-F86 VanDerWaalsContact O-CD2 3.25Å; I82-F86 WeakPolarHBondContact O-CD2 3.39Å; I82-F86 PolarHBondContact O-N 2.97Å; V83-F86 PolarHBondContact O-N 3.24Å; F86-Y88 PolarHBondContact O-N 3.47Å; F86-C89 PolarHBondContact O-N 3.46Å; F86-I90 VanDerWaalsContact O-CG1 3.31Å; F86-I90 WeakPolarHBondContact O-CG1 3.46Å; F86-I90 PolarHBondContact O-N 2.9Å
87L70.4Confident69.6Low28 Ų2881.1 Ų81.115%0.14740%0.397CS..Hα-helixtrans-60.4-37.3176.8-73.4177.1000111.7V83 T91 V104 L107 L111V83-L87 HydrophobicContact CG1-CD1 3.91Å; V83-L87 HydrophobicContact CG1-CG 4.19Å; V83-L87 WeakPolarHBondContact O-CB 3.16Å; V83-L87 VanDerWaalsContact O-CG 3.26Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3.45Å; L87-T91 PolarHBondContact O-N 3.42Å; L87-T91 PolarHBondContact O-OG1 3.37Å; L87-V104 HydrophobicContact CB-CG1 3.9Å; L87-V104 HydrophobicContact CD2-CG1 4.13Å; L87-V104 HydrophobicContact CD2-CG2 4.42Å; L87-V104 HydrophobicContact CG-CG1 4.48Å; L87-L107 HydrophobicContact CD1-CB 3.95Å; L87-L111 HydrophobicContact CD1-CD1 3.63Å
88Y68.8Low69Low34 Ų3483.8 Ų83.813%0.13342%0.415CS..Hα-helixtrans-66-46.9173.8-177.9-96.2000112.2P36 L37 A40 G84 F85 F86 I90 T91 Y92P36-Y88 HydrophobicContact CB-CE2 3.75Å; L37-Y88 HydrophobicContact CB-CE1 3.82Å; L37-Y88 WeakPolarHBondContact CB-OH 3.32Å; L37-Y88 HydrophobicContact CD1-CD1 4.1Å; L37-Y88 HydrophobicContact CD1-CE1 3.51Å; L37-Y88 HydrophobicContact CG-CE1 4.23Å; A40-Y88 HydrophobicContact CB-CG 4.37Å; G84-Y88 WeakPolarHBondContact O-CB 3.49Å; G84-Y88 PolarHBondContact O-N 2.93Å; F85-Y88 WeakPolarHBondContact O-CB 3.44Å; F85-Y88 PolarHBondContact O-N 3.31Å; F86-Y88 PolarHBondContact O-N 3.47Å; Y88-I90 VanDerWaalsContact C-N 3.3Å; Y88-I90 PolarHBondContact O-N 2.92Å; Y88-T91 CarbonylContact O-C 3.59Å; Y88-T91 PolarHBondContact O-N 2.95Å; Y88-T91 VanDerWaalsContact O-N 3.09Å; Y88-T91 PolarHBondContact O-OG1 3.37Å; Y88-Y92 HydrophobicContact CE1-CD2 4.3Å; Y88-Y92 PolarHBondContact O-N 2.93Å; Y88-Y92 VanDerWaalsContact O-N 3.15Å
89C69.9Low68.4Low64 Ų6487.3 Ų87.343%0.43244%0.44SS..Hα-helixtrans-60.4-38.5178.9-72.90000112.6F85 F86 T91F85-C89 VanDerWaalsContact CE1-SG 3.58Å; F85-C89 PolarHBondContact O-N 3.27Å; F85-C89 PolarHBondContact O-SG 3.44Å; F85-C89 VanDerWaalsContact O-SG 3.34Å; F86-C89 PolarHBondContact O-N 3.46Å; C89-T91 VanDerWaalsContact C-N 3.27Å; C89-T91 PolarHBondContact O-N 2.94Å
90I67.8Low67.7Low130 Ų13086.7 Ų86.767%0.66744%0.441SS*.Hα-helixtrans-69-27.3177.9-65.7165.6000111.6F86 Y88F86-I90 VanDerWaalsContact O-CG1 3.31Å; F86-I90 WeakPolarHBondContact O-CG1 3.46Å; F86-I90 PolarHBondContact O-N 2.9Å; Y88-I90 VanDerWaalsContact C-N 3.3Å; Y88-I90 PolarHBondContact O-N 2.92Å
91T62.5Low67.3Low42 Ų4287.9 Ų87.926%0.25845%0.445SS..THydrogen-bonded Turntrans-103.17.9-175.2510000114.8L87 Y88 C89 Q93 V104L87-T91 PolarHBondContact O-N 3.42Å; L87-T91 PolarHBondContact O-OG1 3.37Å; Y88-T91 CarbonylContact O-C 3.59Å; Y88-T91 PolarHBondContact O-N 2.95Å; Y88-T91 VanDerWaalsContact O-N 3.09Å; Y88-T91 PolarHBondContact O-OG1 3.37Å; C89-T91 VanDerWaalsContact C-N 3.27Å; C89-T91 PolarHBondContact O-N 2.94Å; T91-Q93 CarbonylContact O-C 3.59Å; T91-Q93 PolarHBondContact O-N 3.38Å; T91-V104 HydrophobicContact CG2-CB 3.66Å; T91-V104 HydrophobicContact CG2-CG1 3.38Å; T91-V104 HydrophobicContact CG2-CG2 3.83Å
92Y61Low67Low157 Ų15792.5 Ų92.562%0.61647%0.465SS*.SBendtrans-61.9-25-178.7-176.7-102.9000113.7Y88 P94Y88-Y92 HydrophobicContact CE1-CD2 4.3Å; Y88-Y92 PolarHBondContact O-N 2.93Å; Y88-Y92 VanDerWaalsContact O-N 3.15Å; Y92-P94 WeakPolarHBondContact O-CD 3.45Å
93Q56.2Low66.8Low168 Ų16893.8 Ų93.879%0.78547%0.472SS*.SBendtrans-90.4113.8165.4-74.1-146.4-20.900110.1T91 D95T91-Q93 CarbonylContact O-C 3.59Å; T91-Q93 PolarHBondContact O-N 3.38Å; Q93-D95 VanDerWaalsContact C-N 3.3Å; Q93-D95 PolarHBondContact O-N 3.48Å
94P55.9Low66.6Low92 Ų9291.4 Ų91.460%0.59746%0.457SS*.  trans-75.786.7176.231.4-31.5000108.5Y92 E96Y92-P94 WeakPolarHBondContact O-CD 3.45Å; P94-E96 PolarHBondContact O-N 2.82Å
95D51.1Low66.7Low126 Ų12695 Ų9567%0.67447%0.472SS*.  trans-88.290.6164.3-151.3-4.3000107.7Q93 R97Q93-D95 VanDerWaalsContact C-N 3.3Å; Q93-D95 PolarHBondContact O-N 3.48Å; D95-R97 PolarHBondContact O-N 3.01Å
96E53.4Low66.9Low167 Ų16795.4 Ų95.478%0.7848%0.477SS*.THydrogen-bonded Turntrans-63.94.2-167.5-70.2-179.5147.400114.9P94P94-E96 PolarHBondContact O-N 2.82Å
97R53.1Low67.3Low241 Ų24193.1 Ų93.191%0.90947%0.47SS*.THydrogen-bonded Turntrans-108.59.1-170.2-94.3-174.6177.5166.41.9117.1D95D95-R97 PolarHBondContact O-N 3.01Å
98S62.9Low67.9Low56 Ų5692.5 Ų92.539%0.39247%0.466SS..  trans-123.6140.5-178.177.30000114.7T100 Q101S98-T100 PolarHBondContact O-N 3.47Å; S98-T100 WeakPolarHBondContact OG-CB 3.48Å; S98-Q101 PolarHBondContact O-N 3.39Å; S98-Q101 VanDerWaalsContact O-N 3.1Å
99S69.1Low68.7Low98 Ų9893.7 Ų93.769%0.68547%0.472SS*.Hα-helixtrans-52-21168.1-56.10000112.9F102 I103S99-F102 WeakPolarHBondContact O-CB 3.45Å; S99-F102 PolarHBondContact O-N 3.4Å; S99-I103 WeakPolarHBondContact O-CG1 3.35Å; S99-I103 PolarHBondContact O-N 2.94Å
100T67.8Low69.7Low88 Ų8894.5 Ų94.554%0.5447%0.471SS..Hα-helixtrans-63.2-42.4176.8-46.40000112.4S98 F102 I103 V104S98-T100 PolarHBondContact O-N 3.47Å; S98-T100 WeakPolarHBondContact OG-CB 3.48Å; T100-F102 VanDerWaalsContact C-N 3.27Å; T100-F102 PolarHBondContact O-N 3.5Å; T100-I103 PolarHBondContact O-N 2.94Å; T100-V104 WeakPolarHBondContact O-CG2 3.35Å; T100-V104 PolarHBondContact O-N 2.82Å
101Q70.4Confident70.6Confident40 Ų4089.8 Ų89.819%0.18745%0.447CS..Hα-helixtrans-65.3-35.4179-165.2-173.11400111.4S98 K105S98-Q101 PolarHBondContact O-N 3.39Å; S98-Q101 VanDerWaalsContact O-N 3.1Å; Q101-K105 WeakPolarHBondContact O-CB 3.43Å; Q101-K105 WeakPolarHBondContact O-CG 3.49Å; Q101-K105 PolarHBondContact O-N 3.07Å
102F74.4Confident71.9Confident99 Ų9987.8 Ų87.843%0.43444%0.435SS..Hα-helixtrans-63.6-49173.4172.4-98.2000111.7S99 T100 V104 K105 L106S99-F102 WeakPolarHBondContact O-CB 3.45Å; S99-F102 PolarHBondContact O-N 3.4Å; T100-F102 VanDerWaalsContact C-N 3.27Å; T100-F102 PolarHBondContact O-N 3.5Å; F102-V104 VanDerWaalsContact C-N 3.31Å; F102-V104 PolarHBondContact O-N 3.14Å; F102-K105 PolarHBondContact O-N 3.49Å; F102-L106 HydrophobicContact CE1-CD2 4.34Å; F102-L106 WeakPolarHBondContact O-CB 3.28Å; F102-L106 PolarHBondContact O-N 3.32Å
103I78.3Confident73.3Confident91 Ų9182.8 Ų82.847%0.46742%0.421SS..Hα-helixtrans-58.9-45.2178.1-68165.8000110.2S99 T100 L106 L107S99-I103 WeakPolarHBondContact O-CG1 3.35Å; S99-I103 PolarHBondContact O-N 2.94Å; T100-I103 PolarHBondContact O-N 2.94Å; I103-L106 PolarHBondContact O-N 3.07Å; I103-L107 HydrophobicContact CG2-CD1 3.87Å; I103-L107 HydrophobicContact CG2-CG 4.26Å; I103-L107 WeakPolarHBondContact O-CB 3.48Å; I103-L107 VanDerWaalsContact O-CG 3.27Å; I103-L107 WeakPolarHBondContact O-CG 3.23Å; I103-L107 PolarHBondContact O-N 3.22Å
104V75.3Confident74.9Confident14 Ų1477.6 Ų77.69%0.08540%0.401CS..Hα-helixtrans-65.7-44.5-179.6176.80000112.2L87 T91 T100 F102 L106 L107 Y108L87-V104 HydrophobicContact CB-CG1 3.9Å; L87-V104 HydrophobicContact CD2-CG1 4.13Å; L87-V104 HydrophobicContact CD2-CG2 4.42Å; L87-V104 HydrophobicContact CG-CG1 4.48Å; T91-V104 HydrophobicContact CG2-CB 3.66Å; T91-V104 HydrophobicContact CG2-CG1 3.38Å; T91-V104 HydrophobicContact CG2-CG2 3.83Å; T100-V104 WeakPolarHBondContact O-CG2 3.35Å; T100-V104 PolarHBondContact O-N 2.82Å; F102-V104 VanDerWaalsContact C-N 3.31Å; F102-V104 PolarHBondContact O-N 3.14Å; V104-L106 VanDerWaalsContact C-N 3.28Å; V104-L106 PolarHBondContact O-N 3.3Å; V104-L107 PolarHBondContact O-N 2.86Å; V104-Y108 WeakPolarHBondContact O-CB 3.36Å; V104-Y108 PolarHBondContact O-N 3.49Å
105K77.7Confident76.5Confident76 Ų7673.2 Ų73.233%0.3337%0.372SS..Hα-helixtrans-59.8-40.5175.4-75.1-179.2-179.5-177.80111.7Q101 F102 Y108 F109 M199 D202Q101-K105 WeakPolarHBondContact O-CB 3.43Å; Q101-K105 WeakPolarHBondContact O-CG 3.49Å; Q101-K105 PolarHBondContact O-N 3.07Å; F102-K105 PolarHBondContact O-N 3.49Å; K105-Y108 PolarHBondContact O-N 2.89Å; K105-F109 WeakPolarHBondContact O-CB 3.49Å; K105-F109 PolarHBondContact O-N 2.92Å; K105-M199 HydrophobicContact CB-SD 4.48Å; K105-M199 HydrophobicContact CG-SD 4.31Å; K105-D202 WeakPolarHBondContact CE-OD2 2.95Å; K105-D202 IonicContact NZ-OD2 2.65Å; K105-D202 PolarHBondContact NZ-OD2 3.06Å
106L82.9Confident78.6Confident66 Ų6669.4 Ų69.435%0.34635%0.351SS..Hα-helixtrans-65.3-45.7176.5-179.162.7000111.8F102 I103 V104 Y108 F109 I110F102-L106 HydrophobicContact CE1-CD2 4.34Å; F102-L106 WeakPolarHBondContact O-CB 3.28Å; F102-L106 PolarHBondContact O-N 3.32Å; I103-L106 PolarHBondContact O-N 3.07Å; V104-L106 VanDerWaalsContact C-N 3.28Å; V104-L106 PolarHBondContact O-N 3.3Å; L106-Y108 VanDerWaalsContact C-N 3.35Å; L106-Y108 PolarHBondContact O-N 3.43Å; L106-F109 WeakPolarHBondContact O-CB 3.3Å; L106-F109 PolarHBondContact O-N 3Å; L106-I110 HydrophobicContact CD1-CD1 4.34Å; L106-I110 HydrophobicContact CG-CD1 4.1Å; L106-I110 VanDerWaalsContact O-CG1 3.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.41Å; L106-I110 PolarHBondContact O-N 3.3Å
107L83.7Confident80.5Confident79 Ų7965.1 Ų65.141%0.41434%0.337SS..Hα-helixtrans-60.6-44.8176.2-72.2173.9000111.2L87 I103 V104 F109 I110 L111L87-L107 HydrophobicContact CD1-CB 3.95Å; I103-L107 HydrophobicContact CG2-CD1 3.87Å; I103-L107 HydrophobicContact CG2-CG 4.26Å; I103-L107 WeakPolarHBondContact O-CB 3.48Å; I103-L107 VanDerWaalsContact O-CG 3.27Å; I103-L107 WeakPolarHBondContact O-CG 3.23Å; I103-L107 PolarHBondContact O-N 3.22Å; V104-L107 PolarHBondContact O-N 2.86Å; L107-F109 PolarHBondContact O-N 3.47Å; L107-I110 PolarHBondContact O-N 2.82Å; L107-L111 WeakPolarHBondContact O-CB 3.26Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.33Å; L107-L111 PolarHBondContact O-N 3.44Å
108Y83.6Confident82.3Confident14 Ų1454.4 Ų54.46%0.05530%0.297CS..Hα-helixtrans-64.7-38.9177.6-172.9-113.9000112.4Q43 V104 K105 L106 L111 C112 M199Q43-Y108 PolarHBondContact OE1-OH 3.18Å; V104-Y108 WeakPolarHBondContact O-CB 3.36Å; V104-Y108 PolarHBondContact O-N 3.49Å; K105-Y108 PolarHBondContact O-N 2.89Å; L106-Y108 VanDerWaalsContact C-N 3.35Å; L106-Y108 PolarHBondContact O-N 3.43Å; Y108-L111 PolarHBondContact O-N 2.8Å; Y108-C112 WeakPolarHBondContact O-CB 3.47Å; Y108-C112 PolarHBondContact O-N 3.37Å; Y108-C112 PolarHBondContact O-SG 2.99Å; Y108-M199 HydrophobicContact CD1-CE 4.17Å; Y108-M199 HydrophobicContact CD1-CG 3.65Å; Y108-M199 HydrophobicContact CD1-SD 3.83Å; Y108-M199 HydrophobicContact CE1-CE 4.26Å; Y108-M199 HydrophobicContact CE1-CG 4.2Å; Y108-M199 HydrophobicContact CE1-SD 4.49Å
109F86.8Confident83.7Confident59 Ų5951.8 Ų51.826%0.25928%0.279SS..Hα-helixtrans-60.9-44.6172.5175-93.8000112.4K105 L106 L107 C112 T113 A196 M199 W200K105-F109 WeakPolarHBondContact O-CB 3.49Å; K105-F109 PolarHBondContact O-N 2.92Å; L106-F109 WeakPolarHBondContact O-CB 3.3Å; L106-F109 PolarHBondContact O-N 3Å; L107-F109 PolarHBondContact O-N 3.47Å; F109-C112 PolarHBondContact O-N 3.48Å; F109-T113 WeakPolarHBondContact O-CB 3.4Å; F109-T113 PolarHBondContact O-N 3.06Å; F109-T113 PolarHBondContact O-OG1 3.03Å; F109-A196 HydrophobicContact CD2-CB 4.19Å; F109-A196 HydrophobicContact CE2-CB 4.07Å; F109-M199 HydrophobicContact CB-CB 4.16Å; F109-M199 HydrophobicContact CD2-CB 4.12Å; F109-W200 HydrophobicContact CE2-CB 4.3Å; F109-W200 HydrophobicContact CE2-CE3 4.31Å; F109-W200 HydrophobicContact CZ-CE3 4.29Å
110I88.9Confident84.8Confident81 Ų8151.4 Ų51.442%0.41527%0.269SS..Hα-helixtrans-61.8-46.6176-68.4165.9000110L106 L107 C112 T113 T114L106-I110 HydrophobicContact CD1-CD1 4.34Å; L106-I110 HydrophobicContact CG-CD1 4.1Å; L106-I110 VanDerWaalsContact O-CG1 3.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.41Å; L106-I110 PolarHBondContact O-N 3.3Å; L107-I110 PolarHBondContact O-N 2.82Å; I110-C112 PolarHBondContact O-N 2.9Å; I110-T113 PolarHBondContact O-N 3.3Å; I110-T114 WeakPolarHBondContact O-CB 3.41Å; I110-T114 PolarHBondContact O-N 2.78Å; I110-T114 PolarHBondContact O-OG1 3.34Å
111L87.6Confident86Confident32 Ų3251 Ų5117%0.16826%0.263CS..Hα-helixtrans-59.6-44.7177.7-73.5170.4000112.2V80 V83 L87 L107 Y108 T113 T114 G115V80-L111 HydrophobicContact CB-CD2 4.44Å; V80-L111 HydrophobicContact CG1-CB 4.1Å; V80-L111 HydrophobicContact CG1-CD2 4.22Å; V80-L111 VanDerWaalsContact CG1-O 3.31Å; V80-L111 WeakPolarHBondContact CG1-O 3.31Å; V80-L111 HydrophobicContact CG2-CD2 4.16Å; V83-L111 HydrophobicContact CB-CD1 4.19Å; V83-L111 HydrophobicContact CG1-CD1 3.67Å; L87-L111 HydrophobicContact CD1-CD1 3.63Å; L107-L111 WeakPolarHBondContact O-CB 3.26Å; L107-L111 VanDerWaalsContact O-CG 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.33Å; L107-L111 PolarHBondContact O-N 3.44Å; Y108-L111 PolarHBondContact O-N 2.8Å; L111-T113 VanDerWaalsContact C-N 3.33Å; L111-T113 PolarHBondContact O-N 3.29Å; L111-T114 PolarHBondContact O-N 2.87Å; L111-G115 PolarHBondContact O-N 2.96Å
112C89.2Confident86.9Confident0 Ų049.3 Ų49.30%026%0.255CS..Hα-helixtrans-62-41.4175.6-69.70000111.8Q43 Y108 F109 I110 G115 L116 C192 A196Q43-C112 PolarHBondContact NE2-SG 3.35Å; Y108-C112 WeakPolarHBondContact O-CB 3.47Å; Y108-C112 PolarHBondContact O-N 3.37Å; Y108-C112 PolarHBondContact O-SG 2.99Å; F109-C112 PolarHBondContact O-N 3.48Å; I110-C112 PolarHBondContact O-N 2.9Å; C112-G115 PolarHBondContact O-N 3.16Å; C112-L116 WeakPolarHBondContact O-CB 3.3Å; C112-L116 PolarHBondContact O-N 3.45Å; C112-C192 WeakPolarHBondContact O-CB 3.49Å; C112-A196 HydrophobicContact CB-CB 4.02Å
113T91.1Very high87.7Confident52 Ų5246 Ų4632%0.31924%0.243SC..Hα-helixtrans-67.1-44.2179-53.50000111.3F109 I110 L111 G115 L116 V117F109-T113 WeakPolarHBondContact O-CB 3.4Å; F109-T113 PolarHBondContact O-N 3.06Å; F109-T113 PolarHBondContact O-OG1 3.03Å; I110-T113 PolarHBondContact O-N 3.3Å; L111-T113 VanDerWaalsContact C-N 3.33Å; L111-T113 PolarHBondContact O-N 3.29Å; T113-G115 VanDerWaalsContact C-N 3.35Å; T113-L116 WeakPolarHBondContact O-CB 3.46Å; T113-L116 PolarHBondContact O-N 3.34Å; T113-V117 WeakPolarHBondContact O-CG2 3.25Å; T113-V117 PolarHBondContact O-N 3.46Å
114T89.9Confident88.4Confident58 Ų5844.6 Ų44.636%0.35625%0.245SC..Hα-helixtrans-61.7-44174.5-58.50000111.1I110 L111 L116 V117 I118I110-T114 WeakPolarHBondContact O-CB 3.41Å; I110-T114 PolarHBondContact O-N 2.78Å; I110-T114 PolarHBondContact O-OG1 3.34Å; L111-T114 PolarHBondContact O-N 2.87Å; T114-L116 VanDerWaalsContact C-N 3.33Å; T114-L116 PolarHBondContact O-N 3.46Å; T114-V117 PolarHBondContact O-N 3.5Å; T114-I118 HydrophobicContact CG2-CD1 3.74Å; T114-I118 HydrophobicContact CG2-CG1 4.35Å; T114-I118 WeakPolarHBondContact O-CB 3.37Å; T114-I118 VanDerWaalsContact O-CG1 3.29Å; T114-I118 WeakPolarHBondContact O-CG1 3.21Å; T114-I118 PolarHBondContact O-N 3.38Å
115G90Very high89Confident0 Ų048.6 Ų48.60%026%0.262CS..Hα-helixtrans-58.4-43.817500000112.4L111 C112 T113 I118 S119L111-G115 PolarHBondContact O-N 2.96Å; C112-G115 PolarHBondContact O-N 3.16Å; T113-G115 VanDerWaalsContact C-N 3.35Å; G115-I118 PolarHBondContact O-N 2.87Å; G115-S119 WeakPolarHBondContact O-CB 3.35Å; G115-S119 PolarHBondContact O-N 3.03Å; G115-S119 PolarHBondContact O-OG 3.15Å; G115-S119 VanDerWaalsContact O-OG 3.08Å
116L93.8Very high89.5Confident46 Ų4645.1 Ų45.124%0.24125%0.247CC..Hα-helixtrans-59.2-50.7174.6172.563.9000111.9C112 T113 T114 I118 S119 L120 A189 C192 A193C112-L116 WeakPolarHBondContact O-CB 3.3Å; C112-L116 PolarHBondContact O-N 3.45Å; T113-L116 WeakPolarHBondContact O-CB 3.46Å; T113-L116 PolarHBondContact O-N 3.34Å; T114-L116 VanDerWaalsContact C-N 3.33Å; T114-L116 PolarHBondContact O-N 3.46Å; L116-I118 PolarHBondContact O-N 3.1Å; L116-S119 PolarHBondContact O-N 3.27Å; L116-L120 HydrophobicContact CD1-CD1 4.13Å; L116-L120 HydrophobicContact CD1-CG 4.28Å; L116-L120 HydrophobicContact CG-CD1 4.37Å; L116-L120 WeakPolarHBondContact O-CG 3.45Å; L116-L120 PolarHBondContact O-N 3.44Å; L116-A189 HydrophobicContact CD1-CB 3.74Å; L116-A189 WeakPolarHBondContact CD1-O 3.25Å; L116-C192 HydrophobicContact CB-CB 4Å; L116-A193 HydrophobicContact CD1-CB 4.38Å; L116-A193 HydrophobicContact CD2-CB 4.39Å
117V93.8Very high89.8Confident78 Ų7843.2 Ų43.247%0.47324%0.244SC..Hα-helixtrans-60.7-47.4-179.4172.50000110.8T113 T114 S119 L120 L121T113-V117 WeakPolarHBondContact O-CG2 3.25Å; T113-V117 PolarHBondContact O-N 3.46Å; T114-V117 PolarHBondContact O-N 3.5Å; V117-S119 PolarHBondContact O-N 3.5Å; V117-L120 PolarHBondContact O-N 2.83Å; V117-L121 HydrophobicContact CG1-CD1 4.13Å; V117-L121 HydrophobicContact CG1-CG 4.48Å; V117-L121 WeakPolarHBondContact O-CG 3.35Å; V117-L121 PolarHBondContact O-N 2.83Å
118I90.4Very high90Very high16 Ų1645.4 Ų45.48%0.08225%0.252CS..Hα-helixtrans-63-44.2179.7-66.2173.6000110.7A73 I76 L77 T114 G115 L116 L120 L121 V122A73-I118 HydrophobicContact CB-CG2 3.92Å; I76-I118 HydrophobicContact CB-CD1 4.07Å; I76-I118 HydrophobicContact CG2-CD1 3.28Å; L77-I118 HydrophobicContact CD1-CG2 4.05Å; L77-I118 HydrophobicContact CD2-CB 4.08Å; L77-I118 HydrophobicContact CD2-CG2 3.94Å; L77-I118 HydrophobicContact CG-CB 4.44Å; L77-I118 HydrophobicContact CG-CG2 3.75Å; T114-I118 HydrophobicContact CG2-CD1 3.74Å; T114-I118 HydrophobicContact CG2-CG1 4.35Å; T114-I118 WeakPolarHBondContact O-CB 3.37Å; T114-I118 VanDerWaalsContact O-CG1 3.29Å; T114-I118 WeakPolarHBondContact O-CG1 3.21Å; T114-I118 PolarHBondContact O-N 3.38Å; G115-I118 PolarHBondContact O-N 2.87Å; L116-I118 PolarHBondContact O-N 3.1Å; I118-L120 VanDerWaalsContact C-N 3.32Å; I118-L120 PolarHBondContact O-N 3.39Å; I118-L121 WeakPolarHBondContact O-CB 3.4Å; I118-L121 PolarHBondContact O-N 2.88Å; I118-V122 HydrophobicContact CG2-CG2 4.38Å; I118-V122 WeakPolarHBondContact O-CG2 3.33Å; I118-V122 PolarHBondContact O-N 3.28Å
119S92.4Very high90.1Very high0 Ų045.8 Ų45.80%025%0.254CS..Hα-helixtrans-59.9-41177.4-71.50000112.4G115 L116 V117 V122 V123 N185 Q188G115-S119 WeakPolarHBondContact O-CB 3.35Å; G115-S119 PolarHBondContact O-N 3.03Å; G115-S119 PolarHBondContact O-OG 3.15Å; G115-S119 VanDerWaalsContact O-OG 3.08Å; L116-S119 PolarHBondContact O-N 3.27Å; V117-S119 PolarHBondContact O-N 3.5Å; S119-V122 PolarHBondContact O-N 2.91Å; S119-V123 VanDerWaalsContact O-CG2 3.31Å; S119-V123 WeakPolarHBondContact O-CG2 3.5Å; S119-V123 PolarHBondContact O-N 3.4Å; S119-N185 WeakPolarHBondContact CB-O 3.46Å; S119-Q188 WeakPolarHBondContact OG-CG 3.25Å
120L93.8Very high90.2Very high91 Ų9145.1 Ų45.148%0.47625%0.251SS..Hα-helixtrans-67.2-38.8175.6-68176.7000112.7L116 V117 I118 V122 V123 A124 A189L116-L120 HydrophobicContact CD1-CD1 4.13Å; L116-L120 HydrophobicContact CD1-CG 4.28Å; L116-L120 HydrophobicContact CG-CD1 4.37Å; L116-L120 WeakPolarHBondContact O-CG 3.45Å; L116-L120 PolarHBondContact O-N 3.44Å; V117-L120 PolarHBondContact O-N 2.83Å; I118-L120 VanDerWaalsContact C-N 3.32Å; I118-L120 PolarHBondContact O-N 3.39Å; L120-V122 VanDerWaalsContact C-N 3.35Å; L120-V123 PolarHBondContact O-N 2.83Å; L120-A124 PolarHBondContact O-N 3.4Å; L120-A189 HydrophobicContact CD2-CB 4.31Å
121L91.3Very high90.2Very high80 Ų8043.9 Ų43.942%0.41925%0.253SS..Hα-helixtrans-60.2-46.4173.3-70.8172.7000110.8V117 I118 V123 A124 F125V117-L121 HydrophobicContact CG1-CD1 4.13Å; V117-L121 HydrophobicContact CG1-CG 4.48Å; V117-L121 WeakPolarHBondContact O-CG 3.35Å; V117-L121 PolarHBondContact O-N 2.83Å; I118-L121 WeakPolarHBondContact O-CB 3.4Å; I118-L121 PolarHBondContact O-N 2.88Å; L121-V123 VanDerWaalsContact C-N 3.32Å; L121-V123 PolarHBondContact O-N 2.67Å; L121-A124 PolarHBondContact O-N 3.31Å; L121-F125 WeakPolarHBondContact O-CD2 3.34Å; L121-F125 PolarHBondContact O-N 3.37Å
122V89.5Confident90Very high3 Ų344.1 Ų44.12%0.01825%0.253CS..Hα-helixtrans-61.2-41.6177.3175.30000111.4P70 A73 I118 S119 L120 A124 F125 A126 Q181 N185P70-V122 HydrophobicContact CB-CG1 3.93Å; P70-V122 HydrophobicContact CB-CG2 4.21Å; P70-V122 HydrophobicContact CG-CG1 4.39Å; A73-V122 HydrophobicContact CB-CG2 3.28Å; I118-V122 HydrophobicContact CG2-CG2 4.38Å; I118-V122 WeakPolarHBondContact O-CG2 3.33Å; I118-V122 PolarHBondContact O-N 3.28Å; S119-V122 PolarHBondContact O-N 2.91Å; L120-V122 VanDerWaalsContact C-N 3.35Å; V122-A124 VanDerWaalsContact C-N 3.34Å; V122-A124 PolarHBondContact O-N 3.34Å; V122-F125 PolarHBondContact O-N 2.98Å; V122-A126 WeakPolarHBondContact O-CB 3.49Å; V122-A126 PolarHBondContact O-N 3.36Å; V122-Q181 HydrophobicContact CG1-CG 3.94Å; V122-N185 HydrophobicContact CB-CB 4.4Å; V122-N185 HydrophobicContact CG1-CB 4.27Å; V122-N185 WeakPolarHBondContact CG1-ND2 3.5Å
123V92.6Very high89.7Confident29 Ų2944.2 Ų44.218%0.17625%0.254CS..Hα-helixtrans-59.9-44.2175.6168.80000111.3S119 L120 L121 G127 I182 N185 L186S119-V123 VanDerWaalsContact O-CG2 3.31Å; S119-V123 WeakPolarHBondContact O-CG2 3.5Å; S119-V123 PolarHBondContact O-N 3.4Å; L120-V123 PolarHBondContact O-N 2.83Å; L121-V123 VanDerWaalsContact C-N 3.32Å; L121-V123 PolarHBondContact O-N 2.67Å; V123-G127 PolarHBondContact O-N 3.34Å; V123-I182 HydrophobicContact CG1-CG2 4.3Å; V123-N185 HydrophobicContact CG2-CB 3.71Å; V123-L186 HydrophobicContact CG1-CD2 4.18Å; V123-L186 HydrophobicContact CG1-CG 4.39Å; V123-L186 HydrophobicContact CG2-CD2 4.01Å; V123-L186 HydrophobicContact CG2-CG 3.86Å
124A91.8Very high89.4Confident63 Ų6345.2 Ų45.252%0.52126%0.263SS..Hα-helixtrans-63.8-45.7178.300000112.1L120 L121 V122 G127 H128L120-A124 PolarHBondContact O-N 3.4Å; L121-A124 PolarHBondContact O-N 3.31Å; V122-A124 VanDerWaalsContact C-N 3.34Å; V122-A124 PolarHBondContact O-N 3.34Å; A124-G127 PolarHBondContact O-N 2.92Å; A124-H128 WeakPolarHBondContact O-CB 3.25Å; A124-H128 PolarHBondContact O-N 3.03Å
125F87.8Confident89.2Confident97 Ų9745.4 Ų45.443%0.42527%0.267SS..Hα-helixtrans-64.7-50.1177.5-90.1-97.2000112L121 V122 G127 H128 H129L121-F125 WeakPolarHBondContact O-CD2 3.34Å; L121-F125 PolarHBondContact O-N 3.37Å; V122-F125 PolarHBondContact O-N 2.98Å; F125-G127 VanDerWaalsContact C-N 3.29Å; F125-G127 PolarHBondContact O-N 3.39Å; F125-H128 PolarHBondContact O-N 2.98Å; F125-H129 PolarHBondContact O-CD2 3.08Å; F125-H129 PolarHBondContact O-N 3.5Å
126A88.3Confident89Confident3 Ų346.3 Ų46.33%0.02527%0.271CS..Hα-helixtrans-63.3-36.9178.800000111.6V122 H130 F178 Q181 I182V122-A126 WeakPolarHBondContact O-CB 3.49Å; V122-A126 PolarHBondContact O-N 3.36Å; A126-H130 WeakPolarHBondContact O-CB 3.4Å; A126-H130 PolarHBondContact O-N 3.36Å; A126-F178 HydrophobicContact CB-CD1 4.23Å; A126-Q181 HydrophobicContact CB-CB 4.46Å; A126-I182 HydrophobicContact CB-CD1 4.36Å; A126-I182 HydrophobicContact CB-CG1 3.7Å
127G90.1Very high88.6Confident27 Ų2748.4 Ų48.428%0.27828%0.282SS..Hα-helixtrans-64.1-43.917400000112.8V123 A124 F125 H130 A131V123-G127 PolarHBondContact O-N 3.34Å; A124-G127 PolarHBondContact O-N 2.92Å; F125-G127 VanDerWaalsContact C-N 3.29Å; F125-G127 PolarHBondContact O-N 3.39Å; G127-H130 PolarHBondContact O-N 3.29Å; G127-A131 WeakPolarHBondContact O-CB 3.3Å; G127-A131 PolarHBondContact O-N 3.2Å
128H87.9Confident88.2Confident125 Ų12546.2 Ų46.258%0.57927%0.269SS*.Hα-helixtrans-61.8-49.1175.4-177.568.2000111.6A124 F125 H130 A131 Q132A124-H128 WeakPolarHBondContact O-CB 3.25Å; A124-H128 PolarHBondContact O-N 3.03Å; F125-H128 PolarHBondContact O-N 2.98Å; H128-H130 PolarHBondContact O-N 3.48Å; H128-A131 PolarHBondContact O-N 3.19Å; H128-Q132 WeakPolarHBondContact O-CB 3.37Å; H128-Q132 PolarHBondContact O-N 3.41Å
129H85.3Confident88.1Confident21 Ų2151 Ų5110%0.09729%0.291CS..Hα-helixtrans-66.9-34.9178.8-73.8-63.8000112.8E68 F125 Q132 A133 F178E68-H129 IonicContact OE2-CE1 3.99Å; F125-H129 PolarHBondContact O-CD2 3.08Å; F125-H129 PolarHBondContact O-N 3.5Å; H129-Q132 PolarHBondContact O-N 3.31Å; H129-A133 WeakPolarHBondContact O-CB 3.45Å; H129-A133 PolarHBondContact O-N 2.98Å; H129-F178 HydrophobicContact CB-CD1 4.09Å; H129-F178 HydrophobicContact CB-CD2 4.41Å; H129-F178 HydrophobicContact CB-CE1 3.62Å; H129-F178 HydrophobicContact CB-CE2 3.95Å; H129-F178 HydrophobicContact CB-CG 4.48Å; H129-F178 HydrophobicContact CB-CZ 3.55Å
130H88.6Confident87.8Confident46 Ų4655.6 Ų55.621%0.21331%0.312CS..Hα-helixtrans-61.2-50.2172.9178.4-75.4000111.3A126 G127 H128 Q132 A133 S134 V175 F178 I182A126-H130 WeakPolarHBondContact O-CB 3.4Å; A126-H130 PolarHBondContact O-N 3.36Å; G127-H130 PolarHBondContact O-N 3.29Å; H128-H130 PolarHBondContact O-N 3.48Å; H130-Q132 VanDerWaalsContact C-N 3.27Å; H130-Q132 PolarHBondContact O-N 2.97Å; H130-A133 PolarHBondContact O-N 3.35Å; H130-S134 WeakPolarHBondContact O-CB 3.41Å; H130-S134 PolarHBondContact O-N 2.68Å; H130-S134 PolarHBondContact O-OG 3.34Å; H130-S134 VanDerWaalsContact O-OG 3.14Å; H130-V175 PolarHBondContact CD2-O 2.91Å; H130-V175 WeakPolarHBondContact NE2-CG1 3.29Å; H130-F178 HydrophobicContact CB-CB 3.87Å; H130-F178 HydrophobicContact CB-CG 4.49Å; H130-I182 HydrophobicContact CB-CD1 4.41Å
131A88.1Confident87.4Confident54 Ų5457.9 Ų57.945%0.44632%0.321SS..Hα-helixtrans-62.9-35.7179.900000112.3G127 H128 S134 S135G127-A131 WeakPolarHBondContact O-CB 3.3Å; G127-A131 PolarHBondContact O-N 3.2Å; H128-A131 PolarHBondContact O-N 3.19Å; A131-S134 PolarHBondContact O-OG 2.93Å; A131-S135 PolarHBondContact O-OG 3Å; A131-S135 VanDerWaalsContact O-OG 3.09Å
132Q84.6Confident87.1Confident37 Ų3757 Ų5717%0.17333%0.331CS..Hα-helixtrans-68.6-50.8174.3-168.9-18021.200111.3H128 H129 H130 S134 S135 F136 L149 F159H128-Q132 WeakPolarHBondContact O-CB 3.37Å; H128-Q132 PolarHBondContact O-N 3.41Å; H129-Q132 PolarHBondContact O-N 3.31Å; H130-Q132 VanDerWaalsContact C-N 3.27Å; H130-Q132 PolarHBondContact O-N 2.97Å; Q132-S134 VanDerWaalsContact C-N 3.33Å; Q132-S134 PolarHBondContact O-N 3.04Å; Q132-S135 WeakPolarHBondContact O-CB 3.32Å; Q132-S135 PolarHBondContact O-N 3.2Å; Q132-F136 HydrophobicContact CG-CE1 3.72Å; Q132-F136 HydrophobicContact CG-CZ 3.9Å; Q132-L149 HydrophobicContact CG-CD1 3.91Å; Q132-L149 WeakPolarHBondContact O-CD1 3.33Å; Q132-F159 VanDerWaalsContact NE2-CZ 3.33Å
133A82.9Confident86.8Confident3 Ų362.8 Ų62.83%0.02536%0.362CS..Hα-helixtrans-66.6-32.1-17600000113.2H129 H130 S135 F136 V175 F178H129-A133 WeakPolarHBondContact O-CB 3.45Å; H129-A133 PolarHBondContact O-N 2.98Å; H130-A133 PolarHBondContact O-N 3.35Å; A133-S135 PolarHBondContact O-N 2.92Å; A133-S135 VanDerWaalsContact O-N 3.14Å; A133-F136 HydrophobicContact CB-CD2 4.03Å; A133-F136 HydrophobicContact CB-CE2 3.93Å; A133-F136 PolarHBondContact O-N 3.49Å; A133-V175 HydrophobicContact CB-CG2 3.85Å; A133-F178 HydrophobicContact CB-CE2 4.38Å
134S85.3Confident86.3Confident72 Ų7263.7 Ų63.750%0.50337%0.366SS..THydrogen-bonded Turntrans-64.3-14.7173.459.90000113.7H130 A131 Q132H130-S134 WeakPolarHBondContact O-CB 3.41Å; H130-S134 PolarHBondContact O-N 2.68Å; H130-S134 PolarHBondContact O-OG 3.34Å; H130-S134 VanDerWaalsContact O-OG 3.14Å; A131-S134 PolarHBondContact O-OG 2.93Å; Q132-S134 VanDerWaalsContact C-N 3.33Å; Q132-S134 PolarHBondContact O-N 3.04Å
135S85.1Confident86Confident62 Ų6260.7 Ų60.743%0.43434%0.341SS..THydrogen-bonded Turntrans-104.93.3-179.4-48.10000112.5A131 Q132 A133A131-S135 PolarHBondContact O-OG 3Å; A131-S135 VanDerWaalsContact O-OG 3.09Å; Q132-S135 WeakPolarHBondContact O-CB 3.32Å; Q132-S135 PolarHBondContact O-N 3.2Å; A133-S135 PolarHBondContact O-N 2.92Å; A133-S135 VanDerWaalsContact O-N 3.14Å
136F85.1Confident86Confident20 Ų2057.3 Ų57.39%0.08833%0.328CS..  trans-73.4139.4-179.3-71.2-22.2000112.8Q132 A133 C147 L149 F159 Y161Q132-F136 HydrophobicContact CG-CE1 3.72Å; Q132-F136 HydrophobicContact CG-CZ 3.9Å; A133-F136 HydrophobicContact CB-CD2 4.03Å; A133-F136 HydrophobicContact CB-CE2 3.93Å; A133-F136 PolarHBondContact O-N 3.49Å; F136-C147 HydrophobicContact CB-CB 4.21Å; F136-C147 HydrophobicContact CD2-CB 4.17Å; F136-C147 HydrophobicContact CG-CB 4.15Å; F136-L149 HydrophobicContact CD1-CD1 3.93Å; F136-L149 HydrophobicContact CE1-CD1 3.97Å; F136-F159 AromaticContact CE1-CD2 3.86Å; F136-F159 HydrophobicContact CE1-CD2 3.86Å; F136-F159 AromaticContact CE1-CE2 3.88Å; F136-F159 HydrophobicContact CE1-CE2 3.88Å; F136-F159 AromaticContact CZ-CD2 3.87Å; F136-F159 HydrophobicContact CZ-CD2 3.87Å; F136-F159 HydrophobicContact CZ-CE2 4.02Å; F136-F159 HydrophobicContact CZ-CG 4.23Å; F136-F159 HydrophobicContact CZ-CZ 4.5Å; F136-Y161 WeakPolarHBondContact CE2-OH 3.39Å
137I85.3Confident85.8Confident90 Ų9057.2 Ų57.246%0.46233%0.327SS..EExtended strand (participates in β ladder)trans-109.3109.8164-57.6173.2000106.2C147 V148I137-C147 WeakPolarHBondContact O-CA 3.4Å; I137-V148 HydrophobicContact CB-CG2 4.49Å; I137-V148 PolarHBondContact N-O 3.29Å; I137-V148 WeakPolarHBondContact O-CG2 3.5Å; I137-V148 PolarHBondContact O-N 3.2Å
138C86.4Confident85.7Confident31 Ų3157.3 Ų57.321%0.20932%0.322CS..EExtended strand (participates in β ladder)trans-102.5140.4-177.8-57.80000111V146 C147 C167 T171C138-V146 CarbonylContact C-O 3.51Å; C138-V146 WeakPolarHBondContact CA-O 3.44Å; C138-C147 HydrophobicContact CB-CB 4.09Å; C138-C147 WeakPolarHBondContact CB-SG 3.32Å; C138-C147 WeakPolarHBondContact SG-CB 3.43Å; C138-C147 CovalentContact SG-SG 2.04Å; C138-C147 PolarHBondContact SG-SG 3.42Å; C138-C167 HydrophobicContact CB-CB 3.95Å; C138-T171 HydrophobicContact CB-CG2 4.41Å
139Q87.3Confident85.4Confident118 Ų11855 Ų5555%0.55131%0.314SS*.EExtended strand (participates in β ladder)trans-127.2141.3174.5-170.5165.1-4.800109.3V146Q139-V146 PolarHBondContact N-O 3.36Å; Q139-V146 PolarHBondContact O-N 2.94Å
140Q87.6Confident84.9Confident95 Ų9557.5 Ų57.544%0.44433%0.328SS..EExtended strand (participates in β ladder)trans-81.1130.7-179.5-168144.68.200111.1G142 S165 C167Q140-G142 WeakPolarHBondContact CG-O 3.33Å; Q140-G142 PolarHBondContact NE2-O 3.35Å; Q140-S165 VanDerWaalsContact NE2-C 3.35Å; Q140-S165 PolarHBondContact NE2-O 3.42Å; Q140-C167 VanDerWaalsContact CA-SG 3.59Å
141E84.9Confident83.8Confident139 Ų13963.4 Ų63.465%0.6535%0.348SS*.EExtended strand (participates in β ladder)trans-130.581.3-180-164.7165.7179.800109D144 V146E141-D144 CarbonylContact C-O 3.59Å; E141-D144 PolarHBondContact N-O 3.43Å; E141-D144 PolarHBondContact O-N 2.89Å; E141-V146 HydrophobicContact CB-CG2 4.14Å; E141-V146 WeakPolarHBondContact OE2-CG2 3.4Å
142G84.5Confident82.8Confident61 Ų6165.7 Ų65.763%0.62936%0.361SS*.THydrogen-bonded Turntrans72.7-127.3-172.600000112.1Q140 D144Q140-G142 WeakPolarHBondContact CG-O 3.33Å; Q140-G142 PolarHBondContact NE2-O 3.35Å; G142-D144 VanDerWaalsContact C-N 3.27Å
143D82.4Confident82.3Confident126 Ų12667.7 Ų67.767%0.67437%0.373SS*.THydrogen-bonded Turntrans-88.34.1174.8-68.2-29.5000112.8G163 V164D143-G163 CarbonylContact O-C 3.46Å; D143-G163 WeakPolarHBondContact O-CA 3.43Å; D143-G163 PolarHBondContact O-N 2.86Å; D143-V164 CarbonylContact O-C 3.6Å; D143-V164 PolarHBondContact O-N 3.35Å
144D83.1Confident81.7Confident48 Ų4873.7 Ų73.726%0.25741%0.411SS..EExtended strand (participates in β ladder)trans-113.9158.1-180-64.4-17.6000110.4E141 G142 Y161 K162 G163E141-D144 CarbonylContact C-O 3.59Å; E141-D144 PolarHBondContact N-O 3.43Å; E141-D144 PolarHBondContact O-N 2.89Å; G142-D144 VanDerWaalsContact C-N 3.27Å; D144-Y161 WeakPolarHBondContact CA-O 3.4Å; D144-K162 WeakPolarHBondContact OD1-CA 3.5Å; D144-G163 PolarHBondContact OD1-N 2.88Å
145C85.9Confident81.1Confident0 Ų077.4 Ų77.40%042%0.424CS..EExtended strand (participates in β ladder)trans-121.6123.2179.6-77.30000110.6Y161 V164 C167C145-Y161 PolarHBondContact N-O 3.16Å; C145-Y161 WeakPolarHBondContact O-CB 3.4Å; C145-Y161 PolarHBondContact O-N 3.49Å; C145-V164 HydrophobicContact CB-CB 4.47Å; C145-V164 PolarHBondContact SG-O 3.27Å; C145-C167 HydrophobicContact CB-CB 3.92Å; C145-C167 WeakPolarHBondContact CB-SG 3.5Å; C145-C167 WeakPolarHBondContact SG-CA 3.38Å; C145-C167 WeakPolarHBondContact SG-CB 3.25Å; C145-C167 PolarHBondContact SG-N 3.33Å; C145-C167 VanDerWaalsContact SG-N 3.35Å; C145-C167 CovalentContact SG-SG 2.03Å; C145-C167 PolarHBondContact SG-SG 2.85Å
146V86.9Confident80.7Confident26 Ų2675.4 Ų75.416%0.15841%0.412CS..EExtended strand (participates in β ladder)trans-106.8117.8179.3-178.20000109.4C138 Q139 E141 T158 F159C138-V146 CarbonylContact C-O 3.51Å; C138-V146 WeakPolarHBondContact CA-O 3.44Å; Q139-V146 PolarHBondContact N-O 3.36Å; Q139-V146 PolarHBondContact O-N 2.94Å; E141-V146 HydrophobicContact CB-CG2 4.14Å; E141-V146 WeakPolarHBondContact OE2-CG2 3.4Å; V146-T158 HydrophobicContact CG1-CG2 3.43Å; V146-T158 VanDerWaalsContact CG1-CG2 3.43Å; V146-F159 WeakPolarHBondContact CA-O 3.29Å
147C85.3Confident80.4Confident0 Ų081.2 Ų81.20%043%0.433CS..EExtended strand (participates in β ladder)trans-111.2136.7-178.5-57.60000111.5F136 I137 C138 F159 Y161F136-C147 HydrophobicContact CB-CB 4.21Å; F136-C147 HydrophobicContact CD2-CB 4.17Å; F136-C147 HydrophobicContact CG-CB 4.15Å; I137-C147 WeakPolarHBondContact O-CA 3.4Å; C138-C147 HydrophobicContact CB-CB 4.09Å; C138-C147 WeakPolarHBondContact CB-SG 3.32Å; C138-C147 WeakPolarHBondContact SG-CB 3.43Å; C138-C147 CovalentContact SG-SG 2.04Å; C138-C147 PolarHBondContact SG-SG 3.42Å; C147-F159 HydrophobicContact CB-CB 4.41Å; C147-F159 PolarHBondContact N-O 3.29Å; C147-F159 PolarHBondContact O-N 3.15Å; C147-Y161 HydrophobicContact CB-CD2 4.35Å; C147-Y161 HydrophobicContact CB-CE2 3.98Å
148V87.1Confident80.2Confident30 Ų3081 Ų8118%0.18244%0.436CS..EExtended strand (participates in β ladder)trans-124.2144.9175.1-79.80000110.6I137 T158I137-V148 HydrophobicContact CB-CG2 4.49Å; I137-V148 PolarHBondContact N-O 3.29Å; I137-V148 WeakPolarHBondContact O-CG2 3.5Å; I137-V148 PolarHBondContact O-N 3.2Å; V148-T158 HydrophobicContact CG1-CG2 3.45Å; V148-T158 VanDerWaalsContact CG1-CG2 3.45Å
149L80.9Confident80Confident75 Ų7580.5 Ų80.539%0.39343%0.43SS..SBendtrans-77.8-34.7-179.8-168.168.7000112.7Q132 F136Q132-L149 HydrophobicContact CG-CD1 3.91Å; Q132-L149 WeakPolarHBondContact O-CD1 3.33Å; F136-L149 HydrophobicContact CD1-CD1 3.93Å; F136-L149 HydrophobicContact CE1-CD1 3.97Å
150D75.4Confident79.7Confident74 Ų7478.9 Ų78.940%0.39643%0.425SS..  trans-146.8122.5173.9-171.8-6.6000108.9S152 D153 A156D150-S152 PolarHBondContact O-N 2.9Å; D150-S152 VanDerWaalsContact OD1-CB 3.25Å; D150-S152 WeakPolarHBondContact OD1-CB 3.37Å; D150-S152 PolarHBondContact OD1-N 3.44Å; D150-S152 PolarHBondContact OD1-OG 2.88Å; D150-D153 HydrophobicContact CB-CB 4.4Å; D150-A156 WeakPolarHBondContact O-CB 3.33Å
151R64.9Low79.3Confident171 Ų17174.9 Ų74.965%0.64541%0.406SS*.THydrogen-bonded Turntrans-76.8-16.5-179.9-149.6-178.2-165.9-178.26.8112.2
152S68.9Low79.2Confident102 Ų10274.2 Ų74.271%0.71340%0.401SS*.THydrogen-bonded Turntrans-79-24-179.3-26.30000112.5D150 P154D150-S152 PolarHBondContact O-N 2.9Å; D150-S152 VanDerWaalsContact OD1-CB 3.25Å; D150-S152 WeakPolarHBondContact OD1-CB 3.37Å; D150-S152 PolarHBondContact OD1-N 3.44Å; D150-S152 PolarHBondContact OD1-OG 2.88Å; S152-P154 WeakPolarHBondContact O-CD 3.48Å
153D74.1Confident78.7Confident78 Ų7874.4 Ų74.442%0.41740%0.404SS..  trans-94112.7-177.6-178.5-0.7000109.8D150 I155 A156D150-D153 HydrophobicContact CB-CB 4.4Å; D153-I155 PolarHBondContact O-N 3.26Å; D153-I155 VanDerWaalsContact O-N 3.1Å; D153-I155 PolarHBondContact OD1-N 3.01Å; D153-A156 HydrophobicContact CB-CB 4.12Å; D153-A156 VanDerWaalsContact O-CB 3.23Å; D153-A156 WeakPolarHBondContact O-CB 3.35Å; D153-A156 PolarHBondContact O-N 3.4Å
154P69.7Low78.4Confident129 Ų12968.9 Ų68.984%0.83837%0.374SS*.THydrogen-bonded Turntrans-67.4-8.4-179.528.2-34.4000113.7S152S152-P154 WeakPolarHBondContact O-CD 3.48Å
155I73.4Confident78Confident150 Ų15071.1 Ų71.177%0.76939%0.394SS*.THydrogen-bonded Turntrans-1119.7177.1-41.4177.3000110.5D153 R157D153-I155 PolarHBondContact O-N 3.26Å; D153-I155 VanDerWaalsContact O-N 3.1Å; D153-I155 PolarHBondContact OD1-N 3.01Å; I155-R157 PolarHBondContact O-N 3.27Å
156A74.8Confident77.9Confident21 Ų2174.6 Ų74.617%0.17441%0.412CS..PPolyproline II helixtrans-57134.4178.800000111.3D150 D153 T158D150-A156 WeakPolarHBondContact O-CB 3.33Å; D153-A156 HydrophobicContact CB-CB 4.12Å; D153-A156 VanDerWaalsContact O-CB 3.23Å; D153-A156 WeakPolarHBondContact O-CB 3.35Å; D153-A156 PolarHBondContact O-N 3.4Å; A156-T158 PolarHBondContact O-N 2.86Å
157R79.3Confident77.7Confident141 Ų14173.9 Ų73.953%0.53241%0.409SS..PPolyproline II helixtrans-66.4119.7178-173.8169.7172.9-178-12109.9E68 I155 F159E68-R157 IonicContact OE1-NH2 3.43Å; E68-R157 PolarHBondContact OE1-NH2 3.48Å; I155-R157 PolarHBondContact O-N 3.27Å; R157-F159 HydrophobicContact CB-CE2 4.2Å; R157-F159 HydrophobicContact CG-CE2 3.92Å; R157-F159 HydrophobicContact CG-CZ 3.89Å; R157-F159 WeakPolarHBondContact O-CE2 3.36Å
158T80.9Confident77.6Confident87 Ų8780.7 Ų80.753%0.53444%0.44SS..EExtended strand (participates in β ladder)trans-85.3139.3173.9-3.90000110.9V146 V148 A156V146-T158 HydrophobicContact CG1-CG2 3.43Å; V146-T158 VanDerWaalsContact CG1-CG2 3.43Å; V148-T158 HydrophobicContact CG1-CG2 3.45Å; V148-T158 VanDerWaalsContact CG1-CG2 3.45Å; A156-T158 PolarHBondContact O-N 2.86Å
159F82.3Confident77.2Confident19 Ų1981.2 Ų81.28%0.08344%0.444CS..EExtended strand (participates in β ladder)trans-119.3122.5175.2-64.4-91.7000108.8Q132 F136 V146 C147 R157 Y161Q132-F159 VanDerWaalsContact NE2-CZ 3.33Å; F136-F159 AromaticContact CE1-CD2 3.86Å; F136-F159 HydrophobicContact CE1-CD2 3.86Å; F136-F159 AromaticContact CE1-CE2 3.88Å; F136-F159 HydrophobicContact CE1-CE2 3.88Å; F136-F159 AromaticContact CZ-CD2 3.87Å; F136-F159 HydrophobicContact CZ-CD2 3.87Å; F136-F159 HydrophobicContact CZ-CE2 4.02Å; F136-F159 HydrophobicContact CZ-CG 4.23Å; F136-F159 HydrophobicContact CZ-CZ 4.5Å; V146-F159 WeakPolarHBondContact CA-O 3.29Å; C147-F159 HydrophobicContact CB-CB 4.41Å; C147-F159 PolarHBondContact N-O 3.29Å; C147-F159 PolarHBondContact O-N 3.15Å; R157-F159 HydrophobicContact CB-CE2 4.2Å; R157-F159 HydrophobicContact CG-CE2 3.92Å; R157-F159 HydrophobicContact CG-CZ 3.89Å; R157-F159 WeakPolarHBondContact O-CE2 3.36Å; F159-Y161 HydrophobicContact CB-CD2 4.43Å; F159-Y161 HydrophobicContact CB-CE2 3.71Å
160D81.4Confident77.1Confident84 Ų8477.7 Ų77.745%0.44943%0.425SS..EExtended strand (participates in β ladder)trans-106.8116.7-174.3-159.2-14.8000109.6S63S63-D160 WeakPolarHBondContact CB-O 3.42Å; S63-D160 PolarHBondContact OG-O 3.43Å
161Y80Confident77.4Confident11 Ų1176.9 Ų76.94%0.04342%0.423CS..EExtended strand (participates in β ladder)trans-107.6105-176.2-67.3-88.2000110.4S63 L64 F136 D144 C145 C147 F159 I170 L174S63-Y161 WeakPolarHBondContact OG-CA 3.19Å; L64-Y161 HydrophobicContact CD2-CE1 3.91Å; L64-Y161 HydrophobicContact CG-CE1 4.16Å; F136-Y161 WeakPolarHBondContact CE2-OH 3.39Å; D144-Y161 WeakPolarHBondContact CA-O 3.4Å; C145-Y161 PolarHBondContact N-O 3.16Å; C145-Y161 WeakPolarHBondContact O-CB 3.4Å; C145-Y161 PolarHBondContact O-N 3.49Å; C147-Y161 HydrophobicContact CB-CD2 4.35Å; C147-Y161 HydrophobicContact CB-CE2 3.98Å; F159-Y161 HydrophobicContact CB-CD2 4.43Å; F159-Y161 HydrophobicContact CB-CE2 3.71Å; Y161-I170 HydrophobicContact CD1-CD1 3.74Å; Y161-I170 HydrophobicContact CD1-CG1 4.44Å; Y161-I170 HydrophobicContact CD2-CG1 4.44Å; Y161-I170 HydrophobicContact CD2-CG2 4.22Å; Y161-I170 HydrophobicContact CE1-CD1 4.22Å; Y161-I170 HydrophobicContact CE1-CG2 4.37Å; Y161-I170 HydrophobicContact CE2-CG2 3.92Å; Y161-I170 HydrophobicContact CG-CD1 3.94Å; Y161-I170 HydrophobicContact CG-CG1 4.19Å; Y161-L174 HydrophobicContact CE1-CD2 4.19Å
162K81.4Confident78.3Confident125 Ų12570.5 Ų70.554%0.54341%0.411SS..THydrogen-bonded Turntrans-85.5139.9-173.3-60.6-164.3175.2-164.90113.4D144 V164D144-K162 WeakPolarHBondContact OD1-CA 3.5Å; K162-V164 VanDerWaalsContact C-N 3.34Å
163G74.3Confident79Confident66 Ų6668 Ų6868%0.6839%0.391SS*.THydrogen-bonded Turntrans68.134.117600000113.2D143 D144D143-G163 CarbonylContact O-C 3.46Å; D143-G163 WeakPolarHBondContact O-CA 3.43Å; D143-G163 PolarHBondContact O-N 2.86Å; D144-G163 PolarHBondContact OD1-N 2.88Å
164V76Confident79.4Confident9 Ų964.4 Ų64.46%0.05537%0.372CS..  trans-115.499.9178.2-177.90000107.6D143 C145 K162 D166 I170D143-V164 CarbonylContact O-C 3.6Å; D143-V164 PolarHBondContact O-N 3.35Å; C145-V164 HydrophobicContact CB-CB 4.47Å; C145-V164 PolarHBondContact SG-O 3.27Å; K162-V164 VanDerWaalsContact C-N 3.34Å; V164-D166 WeakPolarHBondContact CG1-O 3.31Å; V164-D166 PolarHBondContact O-N 2.9Å; V164-I170 HydrophobicContact CG1-CD1 4.1Å; V164-I170 HydrophobicContact CG1-CG1 4.04Å; V164-I170 HydrophobicContact CG2-CD1 4.21Å
165S75.4Confident80.3Confident95 Ų9559.2 Ų59.266%0.66434%0.338SS*.SBendtrans-72.4-11.4-175.960.70000114.4Q140Q140-S165 VanDerWaalsContact NE2-C 3.35Å; Q140-S165 PolarHBondContact NE2-O 3.42Å
166D82.9Confident81Confident73 Ų7357.9 Ų57.939%0.3933%0.326SS..  trans-142.1110.6177.5-179.93.8000110.2V164 E168 T169V164-D166 WeakPolarHBondContact CG1-O 3.31Å; V164-D166 PolarHBondContact O-N 2.9Å; D166-E168 PolarHBondContact O-N 3.22Å; D166-E168 VanDerWaalsContact OD1-CB 3.29Å; D166-E168 WeakPolarHBondContact OD1-CB 3.23Å; D166-E168 PolarHBondContact OD1-N 3.45Å; D166-T169 WeakPolarHBondContact O-CB 3.46Å; D166-T169 PolarHBondContact O-N 3.21Å; D166-T169 PolarHBondContact O-OG1 2.92Å
167C83.3Confident81.7Confident12 Ų1258.9 Ų58.98%0.08133%0.326CS..THydrogen-bonded Turntrans-67.4-16.4-178.1-52.40000113.4C138 Q140 C145 T169 I170 T171C138-C167 HydrophobicContact CB-CB 3.95Å; Q140-C167 VanDerWaalsContact CA-SG 3.59Å; C145-C167 HydrophobicContact CB-CB 3.92Å; C145-C167 WeakPolarHBondContact CB-SG 3.5Å; C145-C167 WeakPolarHBondContact SG-CA 3.38Å; C145-C167 WeakPolarHBondContact SG-CB 3.25Å; C145-C167 PolarHBondContact SG-N 3.33Å; C145-C167 VanDerWaalsContact SG-N 3.35Å; C145-C167 CovalentContact SG-SG 2.03Å; C145-C167 PolarHBondContact SG-SG 2.85Å; C167-T169 PolarHBondContact O-N 3.28Å; C167-I170 WeakPolarHBondContact O-CB 3.41Å; C167-I170 PolarHBondContact O-N 3.44Å; C167-T171 PolarHBondContact O-N 3.01Å
168E82.8Confident82.1Confident142 Ų14252.4 Ų52.466%0.66430%0.302SS*.Hα-helixtrans-64.1-25.3172.1-162.7175.9175.900111.3D166 I170 T171 G172D166-E168 PolarHBondContact O-N 3.22Å; D166-E168 VanDerWaalsContact OD1-CB 3.29Å; D166-E168 WeakPolarHBondContact OD1-CB 3.23Å; D166-E168 PolarHBondContact OD1-N 3.45Å; E168-I170 PolarHBondContact O-N 3.36Å; E168-T171 PolarHBondContact O-N 3.19Å; E168-T171 PolarHBondContact O-OG1 3.46Å; E168-G172 PolarHBondContact O-N 2.97Å
169T79.9Confident82.6Confident42 Ų4252 Ų5226%0.25830%0.296SS..Iπ-helixtrans-62-31.6171.9-55.50000111.7I60 D166 C167 T173 L174I60-T169 HydrophobicContact CG2-CG2 4.19Å; D166-T169 WeakPolarHBondContact O-CB 3.46Å; D166-T169 PolarHBondContact O-N 3.21Å; D166-T169 PolarHBondContact O-OG1 2.92Å; C167-T169 PolarHBondContact O-N 3.28Å; T169-T173 WeakPolarHBondContact O-CA 3.45Å; T169-T173 WeakPolarHBondContact O-CB 3.28Å; T169-T173 PolarHBondContact O-N 2.93Å; T169-L174 PolarHBondContact O-N 3.28Å; T169-L174 VanDerWaalsContact O-N 3.09Å
170I78.9Confident83.1Confident0 Ų053.6 Ų53.60%031%0.305CS..Iπ-helixtrans-77.8-43.5178.5-57.7-57.4000111.3Y161 V164 C167 E168 L174Y161-I170 HydrophobicContact CD1-CD1 3.74Å; Y161-I170 HydrophobicContact CD1-CG1 4.44Å; Y161-I170 HydrophobicContact CD2-CG1 4.44Å; Y161-I170 HydrophobicContact CD2-CG2 4.22Å; Y161-I170 HydrophobicContact CE1-CD1 4.22Å; Y161-I170 HydrophobicContact CE1-CG2 4.37Å; Y161-I170 HydrophobicContact CE2-CG2 3.92Å; Y161-I170 HydrophobicContact CG-CD1 3.94Å; Y161-I170 HydrophobicContact CG-CG1 4.19Å; V164-I170 HydrophobicContact CG1-CD1 4.1Å; V164-I170 HydrophobicContact CG1-CG1 4.04Å; V164-I170 HydrophobicContact CG2-CD1 4.21Å; C167-I170 WeakPolarHBondContact O-CB 3.41Å; C167-I170 PolarHBondContact O-N 3.44Å; E168-I170 PolarHBondContact O-N 3.36Å; I170-L174 HydrophobicContact CG2-CD2 4.15Å; I170-L174 VanDerWaalsContact O-CB 3.31Å; I170-L174 WeakPolarHBondContact O-CB 3.25Å
171T80.3Confident83.6Confident58 Ų5849.6 Ų49.636%0.35628%0.284SS..Iπ-helixtrans-79.7-25.2-17853.10000113C138 C167 E168 V175C138-T171 HydrophobicContact CB-CG2 4.41Å; C167-T171 PolarHBondContact O-N 3.01Å; E168-T171 PolarHBondContact O-N 3.19Å; E168-T171 PolarHBondContact O-OG1 3.46Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å
172G83.4Confident84.2Confident37 Ų3750.6 Ų50.638%0.38129%0.29SS..Iπ-helixtrans-98.7-70.817700000113.2E168 L174 V175 F176E168-G172 PolarHBondContact O-N 2.97Å; G172-L174 PolarHBondContact O-N 3.2Å; G172-V175 PolarHBondContact O-N 3.4Å; G172-F176 WeakPolarHBondContact O-CB 3.4Å; G172-F176 PolarHBondContact O-N 3.48Å
173T85Confident84.9Confident49 Ų4949.3 Ų49.330%0.30129%0.288SS..Iπ-helixtrans-64.8-42.9-169-51.30000112.5T169 F176 Y177T169-T173 WeakPolarHBondContact O-CA 3.45Å; T169-T173 WeakPolarHBondContact O-CB 3.28Å; T169-T173 PolarHBondContact O-N 2.93Å; T173-F176 WeakPolarHBondContact O-CB 3.39Å; T173-F176 PolarHBondContact O-N 3.27Å; T173-Y177 HydrophobicContact CG2-CD2 4.16Å; T173-Y177 HydrophobicContact CG2-CE1 4.15Å; T173-Y177 HydrophobicContact CG2-CE2 3.46Å; T173-Y177 VanDerWaalsContact CG2-CE2 3.46Å; T173-Y177 VanDerWaalsContact CG2-CZ 3.46Å; T173-Y177 WeakPolarHBondContact O-CD2 3.33Å; T173-Y177 PolarHBondContact O-N 3.35Å
174L83.1Confident85.8Confident2 Ų247.7 Ų47.71%0.0126%0.263CS..Iπ-helixtrans-66.4-41.8179.6-175.266.7000112M57 L64 Y161 T169 I170 G172 F176 Y177 F178M57-L174 HydrophobicContact CE-CD1 3.68Å; L64-L174 HydrophobicContact CD1-CD1 3.71Å; L64-L174 HydrophobicContact CD1-CD2 4.41Å; L64-L174 HydrophobicContact CD2-CD2 4.47Å; Y161-L174 HydrophobicContact CE1-CD2 4.19Å; T169-L174 PolarHBondContact O-N 3.28Å; T169-L174 VanDerWaalsContact O-N 3.09Å; I170-L174 HydrophobicContact CG2-CD2 4.15Å; I170-L174 VanDerWaalsContact O-CB 3.31Å; I170-L174 WeakPolarHBondContact O-CB 3.25Å; G172-L174 PolarHBondContact O-N 3.2Å; L174-F176 VanDerWaalsContact C-N 3.34Å; L174-Y177 PolarHBondContact O-N 3.09Å; L174-F178 HydrophobicContact CD1-CE2 4.12Å; L174-F178 HydrophobicContact CD1-CZ 4.34Å; L174-F178 HydrophobicContact CD2-CE2 4.12Å; L174-F178 HydrophobicContact CG-CD2 4.27Å; L174-F178 HydrophobicContact CG-CE2 3.69Å; L174-F178 HydrophobicContact CG-CZ 4.35Å; L174-F178 VanDerWaalsContact O-CD2 3.23Å; L174-F178 WeakPolarHBondContact O-CD2 3.16Å; L174-F178 PolarHBondContact O-N 3.27Å
175V86.9Confident86.6Confident20 Ų2047.2 Ų47.212%0.12126%0.261CS..Hα-helixtrans-60.8-45.1174.8176.90000110.5H130 A133 T171 G172 Y177 F178 L179H130-V175 PolarHBondContact CD2-O 2.91Å; H130-V175 WeakPolarHBondContact NE2-CG1 3.29Å; A133-V175 HydrophobicContact CB-CG2 3.85Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; G172-V175 PolarHBondContact O-N 3.4Å; V175-Y177 VanDerWaalsContact C-N 3.33Å; V175-Y177 PolarHBondContact O-N 3.36Å; V175-F178 PolarHBondContact O-N 3.03Å; V175-L179 PolarHBondContact O-N 3.15Å; V175-L179 VanDerWaalsContact O-N 3.11Å
176F89.4Confident87.6Confident122 Ų12246.2 Ų46.254%0.53525%0.248SC..Hα-helixtrans-58.3-43175.3175-100.4000112.4G172 T173 L174 L179 L180G172-F176 WeakPolarHBondContact O-CB 3.4Å; G172-F176 PolarHBondContact O-N 3.48Å; T173-F176 WeakPolarHBondContact O-CB 3.39Å; T173-F176 PolarHBondContact O-N 3.27Å; L174-F176 VanDerWaalsContact C-N 3.34Å; F176-L179 WeakPolarHBondContact O-CB 3.45Å; F176-L179 PolarHBondContact O-N 2.72Å; F176-L180 HydrophobicContact CE1-CD2 4.39Å; F176-L180 PolarHBondContact O-N 2.85Å
177Y88Confident88.2Confident43 Ų4344.5 Ų44.517%0.16924%0.243CC..Hα-helixtrans-65.3-38.1177.2-67.7-27.1000113.5M53 M57 I60 T173 L174 V175 L179 L180 Q181M53-Y177 HydrophobicContact CE-CD1 3.48Å; M53-Y177 VanDerWaalsContact CE-CD1 3.48Å; M53-Y177 HydrophobicContact CE-CE1 3.94Å; M53-Y177 HydrophobicContact CE-CG 4.02Å; M57-Y177 HydrophobicContact CG-CD2 3.91Å; M57-Y177 HydrophobicContact CG-CG 4.14Å; I60-Y177 HydrophobicContact CD1-CD2 4.49Å; I60-Y177 HydrophobicContact CD1-CE2 3.34Å; I60-Y177 WeakPolarHBondContact CD1-OH 3.48Å; T173-Y177 HydrophobicContact CG2-CD2 4.16Å; T173-Y177 HydrophobicContact CG2-CE1 4.15Å; T173-Y177 HydrophobicContact CG2-CE2 3.46Å; T173-Y177 VanDerWaalsContact CG2-CE2 3.46Å; T173-Y177 VanDerWaalsContact CG2-CZ 3.46Å; T173-Y177 WeakPolarHBondContact O-CD2 3.33Å; T173-Y177 PolarHBondContact O-N 3.35Å; L174-Y177 PolarHBondContact O-N 3.09Å; V175-Y177 VanDerWaalsContact C-N 3.33Å; V175-Y177 PolarHBondContact O-N 3.36Å; Y177-L179 VanDerWaalsContact C-N 3.28Å; Y177-L179 PolarHBondContact O-N 2.89Å; Y177-L180 PolarHBondContact O-N 3.42Å; Y177-Q181 WeakPolarHBondContact O-CB 3.47Å; Y177-Q181 PolarHBondContact O-N 3.43Å
178F88.5Confident88.7Confident5 Ų544 Ų442%0.02224%0.24CC..Hα-helixtrans-60-41.9172.1-72.5-58.4000111.4M57 A126 H129 H130 A133 L174 V175 Q181 I182M57-F178 HydrophobicContact CE-CD1 3.63Å; M57-F178 HydrophobicContact CE-CD2 4.34Å; M57-F178 HydrophobicContact CE-CE1 3.56Å; M57-F178 HydrophobicContact CE-CE2 4.29Å; M57-F178 HydrophobicContact CE-CG 4.01Å; M57-F178 HydrophobicContact CE-CZ 3.9Å; A126-F178 HydrophobicContact CB-CD1 4.23Å; H129-F178 HydrophobicContact CB-CD1 4.09Å; H129-F178 HydrophobicContact CB-CD2 4.41Å; H129-F178 HydrophobicContact CB-CE1 3.62Å; H129-F178 HydrophobicContact CB-CE2 3.95Å; H129-F178 HydrophobicContact CB-CG 4.48Å; H129-F178 HydrophobicContact CB-CZ 3.55Å; H130-F178 HydrophobicContact CB-CB 3.87Å; H130-F178 HydrophobicContact CB-CG 4.49Å; A133-F178 HydrophobicContact CB-CE2 4.38Å; L174-F178 HydrophobicContact CD1-CE2 4.12Å; L174-F178 HydrophobicContact CD1-CZ 4.34Å; L174-F178 HydrophobicContact CD2-CE2 4.12Å; L174-F178 HydrophobicContact CG-CD2 4.27Å; L174-F178 HydrophobicContact CG-CE2 3.69Å; L174-F178 HydrophobicContact CG-CZ 4.35Å; L174-F178 VanDerWaalsContact O-CD2 3.23Å; L174-F178 WeakPolarHBondContact O-CD2 3.16Å; L174-F178 PolarHBondContact O-N 3.27Å; V175-F178 PolarHBondContact O-N 3.03Å; F178-Q181 WeakPolarHBondContact O-CB 3.43Å; F178-Q181 PolarHBondContact O-N 3.31Å; F178-I182 VanDerWaalsContact O-CG1 3.26Å; F178-I182 WeakPolarHBondContact O-CG1 3.49Å; F178-I182 PolarHBondContact O-N 3.01Å
179L92.4Very high89.3Confident79 Ų7937.5 Ų37.541%0.41421%0.21SC..Hα-helixtrans-63.3-44.9177.9-154.8157.2000111.3V175 F176 Y177 Q181 I182 L183V175-L179 PolarHBondContact O-N 3.15Å; V175-L179 VanDerWaalsContact O-N 3.11Å; F176-L179 WeakPolarHBondContact O-CB 3.45Å; F176-L179 PolarHBondContact O-N 2.72Å; Y177-L179 VanDerWaalsContact C-N 3.28Å; Y177-L179 PolarHBondContact O-N 2.89Å; L179-Q181 VanDerWaalsContact C-N 3.31Å; L179-Q181 PolarHBondContact O-N 3.45Å; L179-I182 WeakPolarHBondContact O-CB 3.36Å; L179-I182 PolarHBondContact O-N 3.35Å; L179-L183 HydrophobicContact CD2-CD1 3.73Å; L179-L183 HydrophobicContact CD2-CG 4.13Å; L179-L183 WeakPolarHBondContact O-CG 3.39Å; L179-L183 PolarHBondContact O-N 3.36Å
180L92.3Very high90.1Very high52 Ų5241.6 Ų41.627%0.27223%0.23SC..Hα-helixtrans-61.7-40.5175.2-173.157.2000111.8M53 F176 Y177 I182 L183 L184M53-L180 HydrophobicContact CE-CD2 3.65Å; M53-L180 HydrophobicContact CE-CG 4.45Å; M53-L180 HydrophobicContact CG-CD2 4.27Å; M53-L180 HydrophobicContact SD-CD2 3.62Å; F176-L180 HydrophobicContact CE1-CD2 4.39Å; F176-L180 PolarHBondContact O-N 2.85Å; Y177-L180 PolarHBondContact O-N 3.42Å; L180-I182 PolarHBondContact O-N 2.86Å; L180-L183 PolarHBondContact O-N 2.92Å; L180-L184 HydrophobicContact CD1-CD1 4.33Å; L180-L184 HydrophobicContact CD1-CG 4.29Å; L180-L184 HydrophobicContact CG-CD1 4.03Å; L180-L184 HydrophobicContact CG-CG 4.43Å; L180-L184 WeakPolarHBondContact O-CB 3.46Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 2.85Å
181Q90.7Very high90.8Very high0 Ų042.6 Ų42.60%024%0.236CC..Hα-helixtrans-64-39.8177-161.468.71.300112M53 P70 V122 A126 Y177 F178 L179 N185M53-Q181 VanDerWaalsContact CB-OE1 3.23Å; P70-Q181 HydrophobicContact CG-CG 4.13Å; V122-Q181 HydrophobicContact CG1-CG 3.94Å; A126-Q181 HydrophobicContact CB-CB 4.46Å; Y177-Q181 WeakPolarHBondContact O-CB 3.47Å; Y177-Q181 PolarHBondContact O-N 3.43Å; F178-Q181 WeakPolarHBondContact O-CB 3.43Å; F178-Q181 PolarHBondContact O-N 3.31Å; L179-Q181 VanDerWaalsContact C-N 3.31Å; L179-Q181 PolarHBondContact O-N 3.45Å; Q181-N185 PolarHBondContact NE2-ND2 3.42Å; Q181-N185 WeakPolarHBondContact O-CB 3.27Å; Q181-N185 PolarHBondContact O-N 3.19Å; Q181-N185 PolarHBondContact O-ND2 3.08Å
182I92.7Very high91.3Very high32 Ų3239.9 Ų39.916%0.16422%0.219CC..Hα-helixtrans-59.6-51.2173.6-69.7162.6000109.8V123 A126 H130 F178 L179 L180 N185 L186V123-I182 HydrophobicContact CG1-CG2 4.3Å; A126-I182 HydrophobicContact CB-CD1 4.36Å; A126-I182 HydrophobicContact CB-CG1 3.7Å; H130-I182 HydrophobicContact CB-CD1 4.41Å; F178-I182 VanDerWaalsContact O-CG1 3.26Å; F178-I182 WeakPolarHBondContact O-CG1 3.49Å; F178-I182 PolarHBondContact O-N 3.01Å; L179-I182 WeakPolarHBondContact O-CB 3.36Å; L179-I182 PolarHBondContact O-N 3.35Å; L180-I182 PolarHBondContact O-N 2.86Å; I182-N185 PolarHBondContact O-N 2.9Å; I182-L186 HydrophobicContact CG2-CD1 3.87Å; I182-L186 HydrophobicContact CG2-CG 4.4Å; I182-L186 WeakPolarHBondContact O-CB 3.29Å; I182-L186 VanDerWaalsContact O-CG 3.3Å; I182-L186 WeakPolarHBondContact O-CG 3.26Å; I182-L186 PolarHBondContact O-N 3.46Å
183L95.8Very high91.8Very high98 Ų9839.9 Ų39.951%0.51322%0.216SC..Hα-helixtrans-62.6-46.4-178-67176.6000112.5L179 L180 N185 L186 A187L179-L183 HydrophobicContact CD2-CD1 3.73Å; L179-L183 HydrophobicContact CD2-CG 4.13Å; L179-L183 WeakPolarHBondContact O-CG 3.39Å; L179-L183 PolarHBondContact O-N 3.36Å; L180-L183 PolarHBondContact O-N 2.92Å; L183-N185 PolarHBondContact O-N 3.38Å; L183-L186 PolarHBondContact O-N 2.81Å; L183-A187 PolarHBondContact O-N 3.38Å
184L94.1Very high92.1Very high31 Ų3139.2 Ų39.216%0.16222%0.215CC..Hα-helixtrans-63.2-41.8179-71.5172.6000111.9L46 A49 V50 M53 L180 A187 Q188L46-L184 HydrophobicContact CD2-CD2 4.22Å; A49-L184 HydrophobicContact CB-CD1 4.44Å; A49-L184 HydrophobicContact CB-CD2 4.34Å; V50-L184 HydrophobicContact CG2-CB 3.73Å; M53-L184 HydrophobicContact CG-CD1 3.71Å; L180-L184 HydrophobicContact CD1-CD1 4.33Å; L180-L184 HydrophobicContact CD1-CG 4.29Å; L180-L184 HydrophobicContact CG-CD1 4.03Å; L180-L184 HydrophobicContact CG-CG 4.43Å; L180-L184 WeakPolarHBondContact O-CB 3.46Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 2.85Å; L184-A187 PolarHBondContact O-N 3.2Å; L184-Q188 WeakPolarHBondContact O-CB 3.38Å; L184-Q188 PolarHBondContact O-N 3.4Å
185N93.7Very high92.3Very high0 Ų039.1 Ų39.10%022%0.215CC..Hα-helixtrans-74.1-31.5178.9-78.2-86.4000112.6L77 S119 V122 V123 Q181 I182 L183 Q188 A189L77-N185 WeakPolarHBondContact CD1-OD1 3.31Å; S119-N185 WeakPolarHBondContact CB-O 3.46Å; V122-N185 HydrophobicContact CB-CB 4.4Å; V122-N185 HydrophobicContact CG1-CB 4.27Å; V122-N185 WeakPolarHBondContact CG1-ND2 3.5Å; V123-N185 HydrophobicContact CG2-CB 3.71Å; Q181-N185 PolarHBondContact NE2-ND2 3.42Å; Q181-N185 WeakPolarHBondContact O-CB 3.27Å; Q181-N185 PolarHBondContact O-N 3.19Å; Q181-N185 PolarHBondContact O-ND2 3.08Å; I182-N185 PolarHBondContact O-N 2.9Å; L183-N185 PolarHBondContact O-N 3.38Å; N185-Q188 PolarHBondContact O-N 2.83Å; N185-A189 WeakPolarHBondContact O-CB 3.33Å; N185-A189 PolarHBondContact O-N 2.93Å
186L96Very high92.5Very high74 Ų7438.8 Ų38.839%0.38722%0.215SC..Hα-helixtrans-63.4-45.2169.7-76.8174.1000111.3V123 I182 L183 Q188 A189 L190V123-L186 HydrophobicContact CG1-CD2 4.18Å; V123-L186 HydrophobicContact CG1-CG 4.39Å; V123-L186 HydrophobicContact CG2-CD2 4.01Å; V123-L186 HydrophobicContact CG2-CG 3.86Å; I182-L186 HydrophobicContact CG2-CD1 3.87Å; I182-L186 HydrophobicContact CG2-CG 4.4Å; I182-L186 WeakPolarHBondContact O-CB 3.29Å; I182-L186 VanDerWaalsContact O-CG 3.3Å; I182-L186 WeakPolarHBondContact O-CG 3.26Å; I182-L186 PolarHBondContact O-N 3.46Å; L183-L186 PolarHBondContact O-N 2.81Å; L186-Q188 VanDerWaalsContact C-N 3.33Å; L186-Q188 PolarHBondContact O-N 3.43Å; L186-A189 WeakPolarHBondContact O-CB 3.31Å; L186-A189 PolarHBondContact O-N 3.43Å; L186-L190 WeakPolarHBondContact O-CG 3.39Å; L186-L190 PolarHBondContact O-N 3.48Å
187A95.9Very high92.4Very high36 Ų3639.3 Ų39.330%0.29822%0.217SC..Hα-helixtrans-59.4-45.3174.300000111.1L46 L183 L184 A189 L190 V191L46-A187 HydrophobicContact CD1-CB 4.14Å; L46-A187 HydrophobicContact CD2-CB 4.11Å; L183-A187 PolarHBondContact O-N 3.38Å; L184-A187 PolarHBondContact O-N 3.2Å; A187-A189 PolarHBondContact O-N 3.5Å; A187-L190 PolarHBondContact O-N 3.22Å; A187-V191 WeakPolarHBondContact O-CG2 3.35Å; A187-V191 PolarHBondContact O-N 2.65Å
188Q93.6Very high92.2Very high1 Ų138.1 Ų38.11%0.00521%0.213CC..Hα-helixtrans-62.3-41.8177.1-175.667.3-12.600112.2Q43 L46 S81 S119 L184 N185 L186 L190 V191 C192Q43-Q188 PolarHBondContact O-NE2 3.19Å; L46-Q188 HydrophobicContact CB-CB 4.39Å; S81-Q188 PolarHBondContact OG-NE2 3.02Å; S119-Q188 WeakPolarHBondContact OG-CG 3.25Å; L184-Q188 WeakPolarHBondContact O-CB 3.38Å; L184-Q188 PolarHBondContact O-N 3.4Å; N185-Q188 PolarHBondContact O-N 2.83Å; L186-Q188 VanDerWaalsContact C-N 3.33Å; L186-Q188 PolarHBondContact O-N 3.43Å; Q188-L190 VanDerWaalsContact C-N 3.33Å; Q188-L190 PolarHBondContact O-N 2.88Å; Q188-V191 PolarHBondContact O-N 2.87Å; Q188-C192 VanDerWaalsContact O-CB 3.29Å; Q188-C192 WeakPolarHBondContact O-CB 3.5Å; Q188-C192 PolarHBondContact O-N 3.39Å; Q188-C192 PolarHBondContact O-SG 2.88Å
189A95.1Very high91.8Very high6 Ų639.3 Ų39.35%0.0522%0.219CC..Hα-helixtrans-58.3-45.5175.500000111.3L116 L120 N185 L186 A187 V191 C192 A193L116-A189 HydrophobicContact CD1-CB 3.74Å; L116-A189 WeakPolarHBondContact CD1-O 3.25Å; L120-A189 HydrophobicContact CD2-CB 4.31Å; N185-A189 WeakPolarHBondContact O-CB 3.33Å; N185-A189 PolarHBondContact O-N 2.93Å; L186-A189 WeakPolarHBondContact O-CB 3.31Å; L186-A189 PolarHBondContact O-N 3.43Å; A187-A189 PolarHBondContact O-N 3.5Å; A189-V191 PolarHBondContact O-N 2.95Å; A189-C192 PolarHBondContact O-N 3.36Å; A189-A193 VanDerWaalsContact O-CB 3.32Å; A189-A193 WeakPolarHBondContact O-CB 3.44Å; A189-A193 PolarHBondContact O-N 3.49Å
190L95.8Very high91.3Very high129 Ų12941.2 Ų41.268%0.67522%0.221SC*.Hα-helixtrans-62.3-43.8177.1-68.3173.1000112.2L186 A187 Q188 A193 A194L186-L190 WeakPolarHBondContact O-CG 3.39Å; L186-L190 PolarHBondContact O-N 3.48Å; A187-L190 PolarHBondContact O-N 3.22Å; Q188-L190 VanDerWaalsContact C-N 3.33Å; Q188-L190 PolarHBondContact O-N 2.88Å; L190-A193 PolarHBondContact O-N 3.49Å; L190-A194 WeakPolarHBondContact O-CB 3.4Å; L190-A194 PolarHBondContact O-N 3.28Å
191V93.3Very high90.7Very high21 Ų2142.4 Ų42.413%0.12722%0.224CC..Hα-helixtrans-66.3-42.6178.2178.60000111V39 L42 Q43 L46 A187 Q188 A189 A194 G195V39-V191 HydrophobicContact CG1-CG1 3.92Å; L42-V191 HydrophobicContact CB-CG1 3.9Å; L42-V191 HydrophobicContact CB-CG2 4.21Å; L42-V191 HydrophobicContact CD1-CG2 4.5Å; Q43-V191 HydrophobicContact CB-CG1 4.49Å; Q43-V191 HydrophobicContact CG-CB 4.46Å; Q43-V191 HydrophobicContact CG-CG1 3.5Å; Q43-V191 VanDerWaalsContact CG-CG1 3.5Å; L46-V191 HydrophobicContact CD1-CB 4.46Å; L46-V191 HydrophobicContact CD1-CG2 3.83Å; A187-V191 WeakPolarHBondContact O-CG2 3.35Å; A187-V191 PolarHBondContact O-N 2.65Å; Q188-V191 PolarHBondContact O-N 2.87Å; A189-V191 PolarHBondContact O-N 2.95Å; V191-A194 WeakPolarHBondContact O-CB 3.48Å; V191-A194 PolarHBondContact O-N 3.36Å; V191-G195 PolarHBondContact O-N 3Å
192C92.3Very high89.6Confident0 Ų045 Ų450%024%0.238CC..Hα-helixtrans-62.3-42174.5-75.60000112.4Q43 C112 L116 Q188 A189 G195 A196Q43-C192 PolarHBondContact NE2-SG 3.11Å; Q43-C192 VanDerWaalsContact NE2-SG 3.4Å; C112-C192 WeakPolarHBondContact O-CB 3.49Å; L116-C192 HydrophobicContact CB-CB 4Å; Q188-C192 VanDerWaalsContact O-CB 3.29Å; Q188-C192 WeakPolarHBondContact O-CB 3.5Å; Q188-C192 PolarHBondContact O-N 3.39Å; Q188-C192 PolarHBondContact O-SG 2.88Å; A189-C192 PolarHBondContact O-N 3.36Å; C192-G195 PolarHBondContact O-N 3.48Å; C192-A196 WeakPolarHBondContact O-CB 3.31Å; C192-A196 PolarHBondContact O-N 3.3Å
193A93.5Very high88.4Confident38 Ų3848.8 Ų48.831%0.31425%0.25SC..Hα-helixtrans-63-42.1174.200000111.5L116 A189 L190 A196 F197L116-A193 HydrophobicContact CD1-CB 4.38Å; L116-A193 HydrophobicContact CD2-CB 4.39Å; A189-A193 VanDerWaalsContact O-CB 3.32Å; A189-A193 WeakPolarHBondContact O-CB 3.44Å; A189-A193 PolarHBondContact O-N 3.49Å; L190-A193 PolarHBondContact O-N 3.49Å; A193-A196 PolarHBondContact O-N 3.04Å; A193-F197 VanDerWaalsContact O-CB 3.29Å; A193-F197 WeakPolarHBondContact O-CB 3.35Å; A193-F197 PolarHBondContact O-N 3.26Å
194A91.2Very high86.5Confident34 Ų3448 Ų4828%0.28124%0.241SC..Hα-helixtrans-61.8-45.5174.400000111.5L190 V191 F197 I198L190-A194 WeakPolarHBondContact O-CB 3.4Å; L190-A194 PolarHBondContact O-N 3.28Å; V191-A194 WeakPolarHBondContact O-CB 3.48Å; V191-A194 PolarHBondContact O-N 3.36Å; A194-F197 PolarHBondContact O-N 2.95Å; A194-I198 WeakPolarHBondContact O-CD1 3.47Å; A194-I198 WeakPolarHBondContact O-CG1 3.45Å; A194-I198 PolarHBondContact O-N 2.97Å
195G88.4Confident84.5Confident1 Ų152.4 Ų52.41%0.0126%0.261CS..Hα-helixtrans-57.8-48.9175.200000112.7V191 C192 F197 I198 M199V191-G195 PolarHBondContact O-N 3Å; C192-G195 PolarHBondContact O-N 3.48Å; G195-F197 PolarHBondContact O-N 3.41Å; G195-I198 PolarHBondContact O-N 3.23Å; G195-M199 WeakPolarHBondContact O-CG 3.46Å; G195-M199 PolarHBondContact O-N 2.97Å; G195-M199 VanDerWaalsContact O-N 3.08Å
196A89.3Confident82.4Confident13 Ų1357.2 Ų57.211%0.10729%0.29CS..Hα-helixtrans-60.9-42.917600000111.9F109 C112 C192 A193 M199 W200F109-A196 HydrophobicContact CD2-CB 4.19Å; F109-A196 HydrophobicContact CE2-CB 4.07Å; C112-A196 HydrophobicContact CB-CB 4.02Å; C192-A196 WeakPolarHBondContact O-CB 3.31Å; C192-A196 PolarHBondContact O-N 3.3Å; A193-A196 PolarHBondContact O-N 3.04Å; A196-M199 PolarHBondContact O-N 3.35Å; A196-W200 VanDerWaalsContact O-CB 3.25Å; A196-W200 WeakPolarHBondContact O-CB 3.25Å; A196-W200 PolarHBondContact O-N 3.31Å
197F88.7Confident79.9Confident132 Ų13260.1 Ų60.158%0.57930%0.3SS*.Hα-helixtrans-64.4-42177.6178.9-99.4000112.6A193 A194 G195 W200 K201A193-F197 VanDerWaalsContact O-CB 3.29Å; A193-F197 WeakPolarHBondContact O-CB 3.35Å; A193-F197 PolarHBondContact O-N 3.26Å; A194-F197 PolarHBondContact O-N 2.95Å; G195-F197 PolarHBondContact O-N 3.41Å; F197-W200 PolarHBondContact O-N 3.02Å; F197-K201 HydrophobicContact CE1-CD 4.49Å; F197-K201 VanDerWaalsContact O-CB 3.25Å; F197-K201 WeakPolarHBondContact O-CB 3.43Å; F197-K201 PolarHBondContact O-N 3.37Å
198I83.8Confident77.4Confident18 Ų1866.9 Ų66.99%0.09232%0.322CS..Hα-helixtrans-61.7-47.7177-64.3156000109.9F35 V39 A194 G195 K201 D202F35-I198 HydrophobicContact CD1-CD1 3.46Å; F35-I198 VanDerWaalsContact CD1-CD1 3.46Å; F35-I198 HydrophobicContact CD1-CG1 3.95Å; F35-I198 HydrophobicContact CE1-CD1 3.21Å; F35-I198 HydrophobicContact CE1-CG1 3.58Å; F35-I198 HydrophobicContact CZ-CD1 4.2Å; V39-I198 HydrophobicContact CG2-CD1 3.82Å; A194-I198 WeakPolarHBondContact O-CD1 3.47Å; A194-I198 WeakPolarHBondContact O-CG1 3.45Å; A194-I198 PolarHBondContact O-N 2.97Å; G195-I198 PolarHBondContact O-N 3.23Å; I198-K201 PolarHBondContact O-N 2.87Å; I198-D202 WeakPolarHBondContact O-CB 3.49Å; I198-D202 PolarHBondContact O-N 2.99Å
199M80.3Confident74.9Confident31 Ų3169.6 Ų69.615%0.15335%0.345CS..Hα-helixtrans-63.7-41.3178.4-68.1-56.2111.800112K105 Y108 F109 G195 A196 R203K105-M199 HydrophobicContact CB-SD 4.48Å; K105-M199 HydrophobicContact CG-SD 4.31Å; Y108-M199 HydrophobicContact CD1-CE 4.17Å; Y108-M199 HydrophobicContact CD1-CG 3.65Å; Y108-M199 HydrophobicContact CD1-SD 3.83Å; Y108-M199 HydrophobicContact CE1-CE 4.26Å; Y108-M199 HydrophobicContact CE1-CG 4.2Å; Y108-M199 HydrophobicContact CE1-SD 4.49Å; F109-M199 HydrophobicContact CB-CB 4.16Å; F109-M199 HydrophobicContact CD2-CB 4.12Å; G195-M199 WeakPolarHBondContact O-CG 3.46Å; G195-M199 PolarHBondContact O-N 2.97Å; G195-M199 VanDerWaalsContact O-N 3.08Å; A196-M199 PolarHBondContact O-N 3.35Å; M199-R203 PolarHBondContact O-N 3.08Å
200W81.3Confident72.6Confident118 Ų11872.1 Ų72.145%0.44737%0.372SS..Hα-helixtrans-59.8-53173.9177.6-92.4000111.1F109 A196 F197 D202 R203 Y204F109-W200 HydrophobicContact CE2-CB 4.3Å; F109-W200 HydrophobicContact CE2-CE3 4.31Å; F109-W200 HydrophobicContact CZ-CE3 4.29Å; A196-W200 VanDerWaalsContact O-CB 3.25Å; A196-W200 WeakPolarHBondContact O-CB 3.25Å; A196-W200 PolarHBondContact O-N 3.31Å; F197-W200 PolarHBondContact O-N 3.02Å; W200-D202 VanDerWaalsContact C-N 3.32Å; W200-D202 PolarHBondContact O-N 3.24Å; W200-R203 WeakPolarHBondContact O-CB 3.45Å; W200-R203 PolarHBondContact O-N 3.37Å; W200-R203 VanDerWaalsContact O-N 3.08Å; W200-Y204 AromaticContact CD1-CD2 3.81Å; W200-Y204 AromaticContact CD2-CD2 3.57Å; W200-Y204 HydrophobicContact CD2-CD2 3.57Å; W200-Y204 AromaticContact CD2-CE2 3.28Å; W200-Y204 HydrophobicContact CD2-CE2 3.28Å; W200-Y204 AromaticContact CE2-CD2 3.29Å; W200-Y204 AromaticContact CE2-CE2 3.06Å; W200-Y204 AromaticContact CE2-CZ 3.86Å; W200-Y204 HydrophobicContact CE3-CD2 4.18Å; W200-Y204 AromaticContact CE3-CE2 3.43Å; W200-Y204 HydrophobicContact CE3-CE2 3.43Å; W200-Y204 VanDerWaalsContact CE3-CE2 3.43Å; W200-Y204 AromaticContact CG-CD2 3.91Å; W200-Y204 HydrophobicContact CG-CD2 3.91Å; W200-Y204 HydrophobicContact CG-CE2 4.09Å; W200-Y204 HydrophobicContact CH2-CD2 4.27Å; W200-Y204 HydrophobicContact CH2-CE1 4.48Å; W200-Y204 AromaticContact CH2-CE2 3.23Å; W200-Y204 HydrophobicContact CH2-CE2 3.23Å; W200-Y204 AromaticContact CH2-CZ 3.31Å; W200-Y204 WeakPolarHBondContact CH2-OH 3.3Å; W200-Y204 AromaticContact CZ2-CD2 3.69Å; W200-Y204 HydrophobicContact CZ2-CD2 3.69Å; W200-Y204 HydrophobicContact CZ2-CE1 4.24Å; W200-Y204 AromaticContact CZ2-CE2 3.06Å; W200-Y204 HydrophobicContact CZ2-CE2 3.06Å; W200-Y204 AromaticContact CZ2-CZ 3.33Å; W200-Y204 WeakPolarHBondContact CZ2-OH 3.27Å; W200-Y204 HydrophobicContact CZ3-CD2 4.48Å; W200-Y204 AromaticContact CZ3-CE2 3.4Å; W200-Y204 HydrophobicContact CZ3-CE2 3.4Å; W200-Y204 VanDerWaalsContact CZ3-CE2 3.4Å; W200-Y204 AromaticContact CZ3-CZ 3.82Å; W200-Y204 WeakPolarHBondContact CZ3-OH 3.38Å; W200-Y204 AromaticContact NE1-CD2 3.42Å; W200-Y204 AromaticContact NE1-CE2 3.74Å; W200-Y204 VanDerWaalsContact O-CD2 3.27Å; W200-Y204 WeakPolarHBondContact O-CD2 3.47Å; W200-Y204 PolarHBondContact O-N 2.96Å
201K79.1Confident70.3Confident78 Ų7871.5 Ų71.534%0.33937%0.374SS..Hα-helixtrans-58.2-44.8-179.6-173.3-16463.653.60111.7F197 I198 R203 Y204 Q205F197-K201 HydrophobicContact CE1-CD 4.49Å; F197-K201 VanDerWaalsContact O-CB 3.25Å; F197-K201 WeakPolarHBondContact O-CB 3.43Å; F197-K201 PolarHBondContact O-N 3.37Å; I198-K201 PolarHBondContact O-N 2.87Å; K201-R203 PolarHBondContact O-N 3.37Å; K201-Y204 PolarHBondContact O-N 3.1Å; K201-Q205 HydrophobicContact CG-CG 4.25Å; K201-Q205 WeakPolarHBondContact O-CB 3.38Å; K201-Q205 WeakPolarHBondContact O-CG 3.34Å; K201-Q205 PolarHBondContact O-N 3.41Å
202D69.1Low68.1Low55 Ų5579.8 Ų79.829%0.29441%0.411SS..Hα-helixtrans-58.4-36.8177.8-165.460.1000111.9K105 I198 W200 V206K105-D202 WeakPolarHBondContact CE-OD2 2.95Å; K105-D202 IonicContact NZ-OD2 2.65Å; K105-D202 PolarHBondContact NZ-OD2 3.06Å; I198-D202 WeakPolarHBondContact O-CB 3.49Å; I198-D202 PolarHBondContact O-N 2.99Å; W200-D202 VanDerWaalsContact C-N 3.32Å; W200-D202 PolarHBondContact O-N 3.24Å; D202-V206 VanDerWaalsContact O-CG2 3.25Å; D202-V206 WeakPolarHBondContact O-CG2 3.47Å
203R66Low65.7Low110 Ų11086.8 Ų86.842%0.41545%0.447SS..Hα-helixtrans-68.2-53.9173-172.8179.9-179.5178.1-1.1112.3M199 W200 K201 Q205 V206 F207M199-R203 PolarHBondContact O-N 3.08Å; W200-R203 WeakPolarHBondContact O-CB 3.45Å; W200-R203 PolarHBondContact O-N 3.37Å; W200-R203 VanDerWaalsContact O-N 3.08Å; K201-R203 PolarHBondContact O-N 3.37Å; R203-Q205 PolarHBondContact O-N 2.92Å; R203-V206 PolarHBondContact O-N 2.68Å; R203-F207 HydrophobicContact CG-CD2 3.58Å; R203-F207 HydrophobicContact CG-CE2 3.81Å; R203-F207 VanDerWaalsContact O-CD2 3.3Å; R203-F207 WeakPolarHBondContact O-CD2 3.39Å; R203-F207 PolarHBondContact O-N 3.3Å
204Y55.6Low63.2Low81 Ų8196 Ų9632%0.31847%0.473SS..Hα-helixtrans-72.3-25.8-172.5-74.4-80.9000114.1W200 K201 F208W200-Y204 AromaticContact CD1-CD2 3.81Å; W200-Y204 AromaticContact CD2-CD2 3.57Å; W200-Y204 HydrophobicContact CD2-CD2 3.57Å; W200-Y204 AromaticContact CD2-CE2 3.28Å; W200-Y204 HydrophobicContact CD2-CE2 3.28Å; W200-Y204 AromaticContact CE2-CD2 3.29Å; W200-Y204 AromaticContact CE2-CE2 3.06Å; W200-Y204 AromaticContact CE2-CZ 3.86Å; W200-Y204 HydrophobicContact CE3-CD2 4.18Å; W200-Y204 AromaticContact CE3-CE2 3.43Å; W200-Y204 HydrophobicContact CE3-CE2 3.43Å; W200-Y204 VanDerWaalsContact CE3-CE2 3.43Å; W200-Y204 AromaticContact CG-CD2 3.91Å; W200-Y204 HydrophobicContact CG-CD2 3.91Å; W200-Y204 HydrophobicContact CG-CE2 4.09Å; W200-Y204 HydrophobicContact CH2-CD2 4.27Å; W200-Y204 HydrophobicContact CH2-CE1 4.48Å; W200-Y204 AromaticContact CH2-CE2 3.23Å; W200-Y204 HydrophobicContact CH2-CE2 3.23Å; W200-Y204 AromaticContact CH2-CZ 3.31Å; W200-Y204 WeakPolarHBondContact CH2-OH 3.3Å; W200-Y204 AromaticContact CZ2-CD2 3.69Å; W200-Y204 HydrophobicContact CZ2-CD2 3.69Å; W200-Y204 HydrophobicContact CZ2-CE1 4.24Å; W200-Y204 AromaticContact CZ2-CE2 3.06Å; W200-Y204 HydrophobicContact CZ2-CE2 3.06Å; W200-Y204 AromaticContact CZ2-CZ 3.33Å; W200-Y204 WeakPolarHBondContact CZ2-OH 3.27Å; W200-Y204 HydrophobicContact CZ3-CD2 4.48Å; W200-Y204 AromaticContact CZ3-CE2 3.4Å; W200-Y204 HydrophobicContact CZ3-CE2 3.4Å; W200-Y204 VanDerWaalsContact CZ3-CE2 3.4Å; W200-Y204 AromaticContact CZ3-CZ 3.82Å; W200-Y204 WeakPolarHBondContact CZ3-OH 3.38Å; W200-Y204 AromaticContact NE1-CD2 3.42Å; W200-Y204 AromaticContact NE1-CE2 3.74Å; W200-Y204 VanDerWaalsContact O-CD2 3.27Å; W200-Y204 WeakPolarHBondContact O-CD2 3.47Å; W200-Y204 PolarHBondContact O-N 2.96Å; K201-Y204 PolarHBondContact O-N 3.1Å; Y204-F208 HydrophobicContact CD1-CD2 4.07Å; Y204-F208 AromaticContact CD1-CE2 3.68Å; Y204-F208 HydrophobicContact CD1-CE2 3.68Å; Y204-F208 HydrophobicContact CE1-CE2 4.42Å; Y204-F208 WeakPolarHBondContact O-CB 3.39Å; Y204-F208 WeakPolarHBondContact O-CD2 3.27Å; Y204-F208 PolarHBondContact O-N 3.01Å
205Q52.3Low60.5Low125 Ų12597.8 Ų97.858%0.58448%0.484SS*.Hα-helixtrans-68.7-34.8171.7-73.3-170.1-58.700112.5K201 R203K201-Q205 HydrophobicContact CG-CG 4.25Å; K201-Q205 WeakPolarHBondContact O-CB 3.38Å; K201-Q205 WeakPolarHBondContact O-CG 3.34Å; K201-Q205 PolarHBondContact O-N 3.41Å; R203-Q205 PolarHBondContact O-N 2.92Å
206V49.2Very low58.6Low100 Ų100103.9 Ų103.961%0.60652%0.523SS*.Hα-helixtrans-83.9-33-178.8-177.40000111.9D202 R203D202-V206 VanDerWaalsContact O-CG2 3.25Å; D202-V206 WeakPolarHBondContact O-CG2 3.47Å; R203-V206 PolarHBondContact O-N 2.68Å
207F44.3Very low56.8Low136 Ų136107.1 Ų107.160%0.59655%0.545SS*.Hα-helixtrans-79.9-28.8179.4-85.1-85000114.3R203R203-F207 HydrophobicContact CG-CD2 3.58Å; R203-F207 HydrophobicContact CG-CE2 3.81Å; R203-F207 VanDerWaalsContact O-CD2 3.3Å; R203-F207 WeakPolarHBondContact O-CD2 3.39Å; R203-F207 PolarHBondContact O-N 3.3Å
208F43.6Very low54.6Low177 Ų177106.9 Ų106.978%0.77656%0.555SS**Hα-helixtrans-83-12.8172.6-81.5-72.5000113.7Y204 G210Y204-F208 HydrophobicContact CD1-CD2 4.07Å; Y204-F208 AromaticContact CD1-CE2 3.68Å; Y204-F208 HydrophobicContact CD1-CE2 3.68Å; Y204-F208 HydrophobicContact CE1-CE2 4.42Å; Y204-F208 WeakPolarHBondContact O-CB 3.39Å; Y204-F208 WeakPolarHBondContact O-CD2 3.27Å; Y204-F208 PolarHBondContact O-N 3.01Å; F208-G210 PolarHBondContact O-N 3.21Å
209A41.6Very low52.8Low59 Ų59114.8 Ų114.849%0.48859%0.591SS.*SBendtrans-80.65716300000110.1T211A209-T211 PolarHBondContact O-N 3.42Å
210G46.1Very low50.7Low59 Ų59120.5 Ų120.561%0.60862%0.618SS**  trans-62.458.7178.600000114.2F208F208-G210 PolarHBondContact O-N 3.21Å
211T47.1Very low48.7Very low116 Ų116125.3 Ų125.371%0.71264%0.636SS**  trans-138.651.8173.660.70000110.2A209A209-T211 PolarHBondContact O-N 3.42Å
212Q47.8Very low46.6Very low195 Ų195130 Ų13091%0.91166%0.659SS**  trans-109.260.6137.2-73.7-1447.100108.8R214Q212-R214 PolarHBondContact O-N 2.95Å
213I40.7Very low45Very low146 Ų146136.6 Ų136.675%0.74969%0.685SS**  trans-62.697149-60169.1000104.4S215I213-S215 VanDerWaalsContact C-N 3.34Å; I213-S215 PolarHBondContact O-N 2.93Å
214R41.1Very low43.5Very low231 Ų231141.7 Ų141.787%0.87273%0.728SS**  trans-58104.8163.2-173.8178.8-163.6165.94105.9Q212 P216Q212-R214 PolarHBondContact O-N 2.95Å; R214-P216 VanDerWaalsContact O-CD 3.27Å; R214-P216 WeakPolarHBondContact O-CD 3.23Å
215S35.7Very low42.9Very low73 Ų73144.7 Ų144.751%0.5175%0.748SS.*  trans-57.5122171.6-175.30000108.3I213 S217I213-S215 VanDerWaalsContact C-N 3.34Å; I213-S215 PolarHBondContact O-N 2.93Å; S215-S217 PolarHBondContact O-N 2.99Å; S215-S217 VanDerWaalsContact OG-CB 3.23Å; S215-S217 WeakPolarHBondContact OG-CB 3.27Å; S215-S217 PolarHBondContact OG-N 2.72Å; S215-S217 PolarHBondContact OG-OG 3.46Å
216P49Very low42.4Very low128 Ų128145.7 Ų145.783%0.83176%0.757SS**  trans-78.668.5162.733.2-28.7000107.5R214R214-P216 VanDerWaalsContact O-CD 3.27Å; R214-P216 WeakPolarHBondContact O-CD 3.23Å
217S49.6Very low42.1Very low81 Ų81148.3 Ų148.357%0.56677%0.765SS**  trans-136.366.817774.50000111.7S215S215-S217 PolarHBondContact O-N 2.99Å; S215-S217 VanDerWaalsContact OG-CB 3.23Å; S215-S217 WeakPolarHBondContact OG-CB 3.27Å; S215-S217 PolarHBondContact OG-N 2.72Å; S215-S217 PolarHBondContact OG-OG 3.46Å
218T43.7Very low41.9Very low128 Ų128149 Ų14979%0.78578%0.775SS**  trans-14964142.4260000107.5Q220T218-Q220 PolarHBondContact O-N 3.24Å
219Q46.6Very low41.8Very low183 Ų183147.3 Ų147.386%0.85578%0.775SS**  trans-67.496.8135.1-83.1-163.8-7.400105.7
220Q35.6Very low41.8Very low152 Ų152153.1 Ų153.171%0.7179%0.794SS**  trans-121.787.5158.4-157.3161-6.600107.1T218 Q222T218-Q220 PolarHBondContact O-N 3.24Å; Q220-Q222 PolarHBondContact O-N 3.32Å
221W39.1Very low41.5Very low219 Ų219159.9 Ų159.983%0.8381%0.808SS**  trans-49.1120.5149.5-83.389.6000108.6
222Q35Very low41.1Very low175 Ų175163.2 Ų163.282%0.81882%0.815SS**  trans-159.6120.6139.3-110.6172-3.100111.6Q220Q220-Q222 PolarHBondContact O-N 3.32Å
223K35.8Very low40.5Very low195 Ų195160.6 Ų160.685%0.84881%0.807SS**  trans-28.6135.1167-65.7167.1173.41780115.3
224V34.8Very low40.5Very low216 Ų216161.9 Ų161.9100%1.30981%0.812SS**  -142.70108.4-1790000107.5

Retrieved 224 of 224 residues in 121.5 ms (Link to these results)