A0A077Z194_TRITR Loading...

Protein e04f6.6

AlphaFold DB , UniProt , Accession A0A077Z194, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 485 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
1M49.7Very low52.5Low233 Ų233132.3 Ų132.3100%1.14883%0.828SS**  093.20-63.6164.4-178.800106.3
2T43Very low52.3Low142 Ų142130.2 Ų130.287%0.87182%0.817SS**  72.5105.173.959.60000112.8
3G50Low51.7Low79 Ų79134 Ų13481%0.81482%0.815SS**  trans170.583.7179.600000110.8
4I56Low50.9Low166 Ų166133.5 Ų133.585%0.85181%0.805SS**  trans-110.3145.3-175.6-78.7174.9000109.6
5P66.4Low50.1Low111 Ų111132.7 Ų132.772%0.72180%0.801SS**  trans-92.7-179.9-176.738.9-39000113.6
6P64Low49.5Very low119 Ų119130.3 Ų130.377%0.77380%0.8SS**  trans-124.3152.6138.433.8-22.2000111.4
7S46.9Very low48.8Very low108 Ų108128.9 Ų128.976%0.75580%0.797SS**  cis92111.424.7-162.70000115
8V56.8Low47.9Very low140 Ų140131.6 Ų131.685%0.84880%0.804SS**  trans-14694.5169.3-178.90000105.9
9V51.1Low47.3Very low123 Ų123128.4 Ų128.475%0.74580%0.8SS**  74.4113.891177.20000114
10P48Very low46.9Very low117 Ų117129.4 Ų129.476%0.7681%0.805SS**  trans-107.9-178.1177.642.4-35.8000113.5
11S45.4Very low46.3Very low117 Ų117131.7 Ų131.782%0.81881%0.807SS**  trans-159.5159.2159.8-78.70000113
12P50.3Low45.9Very low107 Ų107125.2 Ų125.270%0.69578%0.782SS**  trans-122.8-135.4-168.143.3-26.9000114.3
13F44Very low45.7Very low180 Ų180123.1 Ų123.179%0.78977%0.773SS**  trans81.9142.2-169.7-52.6-69.1000114.6
14D40.9Very low45.2Very low127 Ų127124.3 Ų124.368%0.67977%0.769SS**  cis-155.4138-12.5-106.1-36.1000107
15T39.5Very low44.3Very low121 Ų121122.3 Ų122.374%0.74277%0.765SS**  93.9133.466.9-61.30000114.2
16A39.4Very low42.9Very low95 Ų95123.7 Ų123.779%0.78577%0.771SS**  trans70.6148.7174.100000118.5
17S38.1Very low41.6Very low107 Ų107122.6 Ų122.675%0.74877%0.772SS**  cis-162.1162.1-16.251.50000113.6
18L33.2Very low41Very low176 Ų176126.4 Ų126.492%0.92178%0.778SS**  trans-20.7147.6173.3-69.265.8000120.2
19G36Very low40Very low71 Ų71124.8 Ų124.873%0.73278%0.779SS**  trans-17360.5171.300000118.8
20T38.9Very low39.4Very low148 Ų148125 Ų12591%0.90878%0.78SS**  trans45.5121.8156.225.50000123.3
21Q35.7Very low38.8Very low178 Ų178124.4 Ų124.483%0.83278%0.779SS**  trans-72.5-176.5153.9-118.1-175.7-3.400111.7
22P41Very low38.5Very low98 Ų98128.2 Ų128.264%0.63678%0.784SS**  cis-139.5-166.7-8.831.9-7.6000115.4
23S39.1Very low37.8Very low97 Ų97129.3 Ų129.368%0.67879%0.794SS**  trans86.4109.5145.8-58.70000121.7
24S38.2Very low37.5Very low105 Ų105125.9 Ų125.973%0.73480%0.798SS**  43.8140.7125.571.10000121.2
25T38.5Very low37.3Very low123 Ų123123.7 Ų123.776%0.75581%0.806SS**  cis-151.4154.440.740.30000114.7
26V35.7Very low37.3Very low141 Ų141120.6 Ų120.686%0.85580%0.798SS**  trans25.5102.5147.3-168.80000117.4
27A36.7Very low37.5Very low95 Ų95126.5 Ų126.579%0.78581%0.806SS**  trans-90.3153.2162.200000111.5
28E34.8Very low38Very low189 Ų189128.5 Ų128.588%0.88381%0.808SS**  trans-73.3144.6-173.1-65.6149.499.200113.9
29A36.2Very low39.1Very low106 Ų106124.1 Ų124.188%0.87679%0.785SS**  trans-136.172.6171.300000110.6
30V38.3Very low40.3Very low128 Ų128124.7 Ų124.778%0.77678%0.778SS**  trans-116.8149.3173.7-178.90000109
31S35.1Very low41.8Very low103 Ų103122 Ų12272%0.7276%0.763SS**  trans74.886.5177.2-55.10000117.5
32Q40Very low43.5Very low198 Ų198117.1 Ų117.193%0.92574%0.742SS**  -176.3104.5129.1-102.7159.284.900112.5
33S34.6Very low45Very low130 Ų130119.6 Ų119.691%0.90974%0.743SS**  trans-158.253.6175.254.80000114.8
34A38.5Very low46.9Very low107 Ų107119.4 Ų119.488%0.88473%0.734SS**  trans-138.2117.4170.300000112.4
35G36.9Very low48.8Very low81 Ų81118.3 Ų118.384%0.83572%0.72SS**SBendtrans110.5147170.200000116.8
36G38Very low51.3Low56 Ų56113 Ų11358%0.57769%0.688SS**  trans91.818.7148.900000121.2L38 N39G36-L38 PolarHBondContact O-N 3.1Å; G36-N39 PolarHBondContact O-N 3.22Å
37K43.4Very low53.8Low219 Ų219108.9 Ų108.995%0.95267%0.673SS**THydrogen-bonded Turntrans-67.921.2-179.5-80.8-167.2175.3-178.20117.1
38L49.7Very low56.1Low150 Ų150113.6 Ų113.679%0.78567%0.671SS**THydrogen-bonded Turntrans-104.1-15.7175-95.6161.1000114.5G36 S40G36-L38 PolarHBondContact O-N 3.1Å; L38-S40 PolarHBondContact O-N 3.17Å
39N56.4Low58.6Low83 Ų83110.3 Ų110.344%0.44465%0.651SS.*  trans-85.7-9.4-168-63.3-1.5000115.2G36 I42 F43G36-N39 PolarHBondContact O-N 3.22Å; N39-I42 PolarHBondContact O-N 3.31Å; N39-I42 VanDerWaalsContact O-N 3.13Å; N39-F43 HydrophobicContact CB-CD2 4.04Å; N39-F43 HydrophobicContact CB-CE2 3.7Å; N39-F43 WeakPolarHBondContact O-CD2 3.2Å; N39-F43 PolarHBondContact O-N 3.01Å
40S61.8Low61.1Low84 Ų84109.2 Ų109.259%0.58763%0.628SS**Hα-helixtrans-52.4-44.2-172.4-170.40000116.5L38 I42 N44L38-S40 PolarHBondContact O-N 3.17Å; S40-I42 VanDerWaalsContact C-N 3.35Å; S40-I42 PolarHBondContact O-N 3.38Å; S40-N44 PolarHBondContact O-ND2 3.36Å
41P70.1Confident63.5Low91 Ų91110.6 Ų110.659%0.59163%0.626SS**Hα-helixtrans-71.3-29179.628.2-34.3000113N44 L45P41-N44 PolarHBondContact O-N 3.25Å; P41-L45 PolarHBondContact O-N 3.4Å; P41-L45 VanDerWaalsContact O-N 3.16Å
42I70.8Confident66Low76 Ų76110 Ų11039%0.3961%0.614SS.*Hα-helixtrans-69.8-45.6-177.5-61.8173.5000110.2N39 S40 N44 L45 C46N39-I42 PolarHBondContact O-N 3.31Å; N39-I42 VanDerWaalsContact O-N 3.13Å; S40-I42 VanDerWaalsContact C-N 3.35Å; S40-I42 PolarHBondContact O-N 3.38Å; I42-N44 VanDerWaalsContact C-N 3.3Å; I42-N44 PolarHBondContact O-N 3.08Å; I42-L45 WeakPolarHBondContact O-CB 3.4Å; I42-L45 PolarHBondContact O-N 3.18Å; I42-C46 PolarHBondContact O-N 2.9Å; I42-C46 PolarHBondContact O-SG 3.09Å
43F72.2Confident68.4Low149 Ų149101.2 Ų101.265%0.65458%0.575SS**Hα-helixtrans-57.9-40.6176.8-76.1-67000113N39 L45 C46 G47N39-F43 HydrophobicContact CB-CD2 4.04Å; N39-F43 HydrophobicContact CB-CE2 3.7Å; N39-F43 WeakPolarHBondContact O-CD2 3.2Å; N39-F43 PolarHBondContact O-N 3.01Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 3.21Å; F43-C46 PolarHBondContact O-N 2.84Å; F43-G47 PolarHBondContact O-N 3.15Å; F43-G47 VanDerWaalsContact O-N 3.15Å
44N79.5Confident71.1Confident94 Ų94100.9 Ų100.950%0.50356%0.559SS.*Hα-helixtrans-65.1-35.1175.3-79.6-85.6000112.7S40 P41 I42 R48S40-N44 PolarHBondContact O-ND2 3.36Å; P41-N44 PolarHBondContact O-N 3.25Å; I42-N44 VanDerWaalsContact C-N 3.3Å; I42-N44 PolarHBondContact O-N 3.08Å; N44-R48 PolarHBondContact O-N 2.03Å
45L78.8Confident73.7Confident81 Ų81102.3 Ų102.342%0.42455%0.548SS..Hα-helixtrans-68.3-46175.8-161.4111.6000110.8P41 I42 F43 R48 Y49 M75P41-L45 PolarHBondContact O-N 3.4Å; P41-L45 VanDerWaalsContact O-N 3.16Å; I42-L45 WeakPolarHBondContact O-CB 3.4Å; I42-L45 PolarHBondContact O-N 3.18Å; F43-L45 VanDerWaalsContact C-N 3.33Å; F43-L45 PolarHBondContact O-N 3.21Å; L45-R48 PolarHBondContact O-N 3Å; L45-Y49 HydrophobicContact CD1-CE2 4.24Å; L45-Y49 HydrophobicContact CD2-CD2 4.02Å; L45-Y49 HydrophobicContact CD2-CE2 4.13Å; L45-Y49 HydrophobicContact CG-CD2 3.89Å; L45-Y49 HydrophobicContact CG-CE2 3.86Å; L45-Y49 WeakPolarHBondContact O-CD2 3.39Å; L45-Y49 PolarHBondContact O-N 3.09Å; L45-Y49 VanDerWaalsContact O-N 3.13Å; L45-M75 HydrophobicContact CD2-CE 4.23Å
46C90.1Very high76.2Confident13 Ų13102.6 Ų102.69%0.08853%0.527CS..Hα-helixtrans-58.8-50.8-179.5-65.90000112.7I42 F43 R48 Y49 E50 C76I42-C46 PolarHBondContact O-N 2.9Å; I42-C46 PolarHBondContact O-SG 3.09Å; F43-C46 PolarHBondContact O-N 2.84Å; C46-R48 PolarHBondContact O-N 3.17Å; C46-Y49 PolarHBondContact O-N 3.37Å; C46-Y49 VanDerWaalsContact O-N 3.16Å; C46-E50 PolarHBondContact O-N 3.06Å; C46-C76 WeakPolarHBondContact CA-SG 3.4Å; C46-C76 HydrophobicContact CB-CB 3.55Å; C46-C76 WeakPolarHBondContact CB-SG 3.15Å; C46-C76 WeakPolarHBondContact SG-CA 3.24Å; C46-C76 WeakPolarHBondContact SG-CB 3.43Å; C46-C76 CovalentContact SG-SG 2.03Å; C46-C76 PolarHBondContact SG-SG 2.77Å
47G87.1Confident78.9Confident53 Ų53101.1 Ų101.155%0.54651%0.508SS..Hα-helixtrans-61.4-28.7178.500000113.9F43F43-G47 PolarHBondContact O-N 3.15Å; F43-G47 VanDerWaalsContact O-N 3.15Å
48R85.4Confident81.2Confident194 Ų19496.4 Ų96.473%0.73249%0.493SS*.Hα-helixtrans-77.7-32.2176.7-168.5179.2-67.6-168.4-2.4113.2N44 L45 C46N44-R48 PolarHBondContact O-N 2.03Å; L45-R48 PolarHBondContact O-N 3Å; C46-R48 PolarHBondContact O-N 3.17Å
49Y86.8Confident83Confident121 Ų12191.4 Ų91.448%0.47548%0.478SS..Hα-helixtrans-89.8-8177.1-75.8-69.8000114L45 C46 Q51 L52 A53L45-Y49 HydrophobicContact CD1-CE2 4.24Å; L45-Y49 HydrophobicContact CD2-CD2 4.02Å; L45-Y49 HydrophobicContact CD2-CE2 4.13Å; L45-Y49 HydrophobicContact CG-CD2 3.89Å; L45-Y49 HydrophobicContact CG-CE2 3.86Å; L45-Y49 WeakPolarHBondContact O-CD2 3.39Å; L45-Y49 PolarHBondContact O-N 3.09Å; L45-Y49 VanDerWaalsContact O-N 3.13Å; C46-Y49 PolarHBondContact O-N 3.37Å; C46-Y49 VanDerWaalsContact O-N 3.16Å; Y49-Q51 PolarHBondContact O-N 3.28Å; Y49-L52 HydrophobicContact CD1-CD2 4.14Å; Y49-L52 HydrophobicContact CE1-CD2 4.5Å; Y49-L52 PolarHBondContact O-N 3.09Å; Y49-A53 WeakPolarHBondContact O-CB 3.43Å; Y49-A53 PolarHBondContact O-N 3.19Å
50E90.1Very high84.7Confident82 Ų8294.9 Ų94.938%0.38350%0.496SS..Hα-helixtrans-58-47.9-173.9177.6160.4-15200113.6C46 L52 A53 Q54 Y72C46-E50 PolarHBondContact O-N 3.06Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L52 PolarHBondContact O-N 2.93Å; E50-A53 PolarHBondContact O-N 3.43Å; E50-Q54 HydrophobicContact CG-CG 4.14Å; E50-Q54 VanDerWaalsContact CG-NE2 3.31Å; E50-Q54 WeakPolarHBondContact O-CB 3.27Å; E50-Q54 VanDerWaalsContact O-CG 3.31Å; E50-Q54 WeakPolarHBondContact O-CG 3.25Å; E50-Q54 PolarHBondContact O-N 2.79Å; E50-Q54 PolarHBondContact OE1-NE2 3.19Å; E50-Y72 WeakPolarHBondContact CA-OH 3.45Å; E50-Y72 WeakPolarHBondContact CB-OH 3.48Å
51Q88.4Confident86Confident157 Ų15791.6 Ų91.673%0.73447%0.472SS*.Hα-helixtrans-61.9-41.5179.7-70.2-176.1-16.600112.3Y49 Q54 Q55Y49-Q51 PolarHBondContact O-N 3.28Å; Q51-Q54 PolarHBondContact O-N 3.24Å; Q51-Q55 PolarHBondContact O-N 3.45Å; Q51-Q55 VanDerWaalsContact O-N 3.1Å
52L87.7Confident87Confident92 Ų9295.5 Ų95.548%0.48248%0.482SS..Hα-helixtrans-64.8-41.8177.3-16773.9000111Y49 E50 Q55 H56Y49-L52 HydrophobicContact CD1-CD2 4.14Å; Y49-L52 HydrophobicContact CE1-CD2 4.5Å; Y49-L52 PolarHBondContact O-N 3.09Å; E50-L52 VanDerWaalsContact C-N 3.34Å; E50-L52 PolarHBondContact O-N 2.93Å; L52-Q55 PolarHBondContact O-N 3.07Å; L52-H56 PolarHBondContact O-CD2 3.46Å; L52-H56 PolarHBondContact O-N 3.5Å
53A90.7Very high87.9Confident12 Ų1294.9 Ų94.910%0.09949%0.494CS..Hα-helixtrans-67.7-34.7175.300000112.5Y49 E50 Q55 C57 Y72Y49-A53 WeakPolarHBondContact O-CB 3.43Å; Y49-A53 PolarHBondContact O-N 3.19Å; E50-A53 PolarHBondContact O-N 3.43Å; A53-Q55 VanDerWaalsContact C-N 3.32Å; A53-Q55 PolarHBondContact O-N 2.86Å; A53-C57 WeakPolarHBondContact O-CA 3.39Å; A53-C57 WeakPolarHBondContact O-CB 3.45Å; A53-C57 PolarHBondContact O-N 3.36Å; A53-Y72 HydrophobicContact CB-CD1 3.55Å; A53-Y72 HydrophobicContact CB-CD2 4.14Å; A53-Y72 HydrophobicContact CB-CE1 3.49Å; A53-Y72 VanDerWaalsContact CB-CE1 3.49Å; A53-Y72 HydrophobicContact CB-CE2 4.08Å; A53-Y72 HydrophobicContact CB-CG 3.9Å
54Q90.1Very high88.7Confident124 Ų12496 Ų9658%0.57950%0.502SS*.Hα-helixtrans-69.4-26.4175.1-73.7-178.214.100112.9E50 Q51E50-Q54 HydrophobicContact CG-CG 4.14Å; E50-Q54 VanDerWaalsContact CG-NE2 3.31Å; E50-Q54 WeakPolarHBondContact O-CB 3.27Å; E50-Q54 VanDerWaalsContact O-CG 3.31Å; E50-Q54 WeakPolarHBondContact O-CG 3.25Å; E50-Q54 PolarHBondContact O-N 2.79Å; E50-Q54 PolarHBondContact OE1-NE2 3.19Å; Q51-Q54 PolarHBondContact O-N 3.24Å
55Q92.8Very high89.1Confident137 Ų13795.7 Ų95.764%0.6450%0.498SS*.Hα-helixtrans-84.5-39.6175.3-73-178-24.800113.4Q51 L52 A53 N58Q51-Q55 PolarHBondContact O-N 3.45Å; Q51-Q55 VanDerWaalsContact O-N 3.1Å; L52-Q55 PolarHBondContact O-N 3.07Å; A53-Q55 VanDerWaalsContact C-N 3.32Å; A53-Q55 PolarHBondContact O-N 2.86Å; Q55-N58 PolarHBondContact O-ND2 3.29Å
56H90.7Very high89.8Confident86 Ų8694.5 Ų94.540%0.39849%0.492SS..Hα-helixtrans-103.2-29-171.2-66.7-71.5000114.8L52 N58 M65L52-H56 PolarHBondContact O-CD2 3.46Å; L52-H56 PolarHBondContact O-N 3.5Å; H56-N58 VanDerWaalsContact C-N 3.3Å; H56-N58 PolarHBondContact O-N 3.16Å; H56-M65 HydrophobicContact CB-CE 4.27Å; H56-M65 HydrophobicContact CB-SD 4.06Å
57C93.8Very high89.7Confident26 Ų2696.4 Ų96.418%0.17651%0.508CS..  trans-90.357.4-173-56.60000113.6A53 G59 E61 C69 R73A53-C57 WeakPolarHBondContact O-CA 3.39Å; A53-C57 WeakPolarHBondContact O-CB 3.45Å; A53-C57 PolarHBondContact O-N 3.36Å; C57-G59 VanDerWaalsContact C-N 3.29Å; C57-G59 PolarHBondContact O-N 3.11Å; C57-E61 WeakPolarHBondContact CA-OE1 3.45Å; C57-C69 WeakPolarHBondContact CA-SG 3.45Å; C57-C69 HydrophobicContact CB-CB 3.62Å; C57-C69 WeakPolarHBondContact CB-SG 2.99Å; C57-C69 VanDerWaalsContact SG-CA 3.5Å; C57-C69 WeakPolarHBondContact SG-CB 3.39Å; C57-C69 CovalentContact SG-SG 2.03Å; C57-C69 PolarHBondContact SG-SG 2.94Å; C57-R73 PolarHBondContact O-NH2 3.27Å
58N91.2Very high89.9Confident119 Ų11999.9 Ų99.964%0.63651%0.514SS*.SBendtrans-791.8-172.8-61.9-34.5000115.5Q55 H56 E61Q55-N58 PolarHBondContact O-ND2 3.29Å; H56-N58 VanDerWaalsContact C-N 3.3Å; H56-N58 PolarHBondContact O-N 3.16Å; N58-E61 PolarHBondContact N-OE1 2.99Å
59G89Confident90.2Very high46 Ų4690.8 Ų90.847%0.47448%0.48SS..SBendtrans93.7-17.9179.600000114.7C57 E61C57-G59 VanDerWaalsContact C-N 3.29Å; C57-G59 PolarHBondContact O-N 3.11Å; G59-E61 WeakPolarHBondContact CA-OE1 3Å; G59-E61 PolarHBondContact N-OE1 3.43Å
60N91.2Very high90.4Very high155 Ų15590 Ų9083%0.82948%0.481SS*.  trans-102.230.6-179.7-63.7-11.5000112.1
61E89.8Confident90.4Very high16 Ų1689.4 Ų89.48%0.07548%0.483CS..  trans-74.3145.5-174.7-49.691.7-163.700112.3C57 N58 G59 M65 L66 C69 R73C57-E61 WeakPolarHBondContact CA-OE1 3.45Å; N58-E61 PolarHBondContact N-OE1 2.99Å; G59-E61 WeakPolarHBondContact CA-OE1 3Å; G59-E61 PolarHBondContact N-OE1 3.43Å; E61-M65 HydrophobicContact CB-CB 4.39Å; E61-M65 HydrophobicContact CB-CG 4.28Å; E61-M65 HydrophobicContact CG-CG 4.17Å; E61-L66 HydrophobicContact CB-CB 3.91Å; E61-L66 HydrophobicContact CB-CD1 4.12Å; E61-L66 WeakPolarHBondContact OE2-CD1 3.18Å; E61-C69 HydrophobicContact CG-CB 4.08Å; E61-R73 IonicContact OE1-CZ 2.78Å; E61-R73 IonicContact OE1-NH1 3.41Å; E61-R73 IonicContact OE1-NH2 3.57Å; E61-R73 PolarHBondContact OE1-NH2 2.94Å; E61-R73 IonicContact OE2-CZ 2.66Å; E61-R73 IonicContact OE2-NH1 3.52Å; E61-R73 PolarHBondContact OE2-NH1 3.46Å; E61-R73 IonicContact OE2-NH2 3.23Å; E61-R73 PolarHBondContact OE2-NH2 3.45Å
62Q90.7Very high90.4Very high173 Ų17383.4 Ų83.481%0.80845%0.453SS*.  trans-124.5155.7174-63.4-171.81.400111.5M65Q62-M65 PolarHBondContact O-N 2.81Å
63G90.8Very high90.6Very high63 Ų6382.8 Ų82.865%0.64945%0.445SS*.THydrogen-bonded Turntrans57.7-135.217700000113.8M65 L66G63-M65 VanDerWaalsContact C-N 3.27Å; G63-M65 PolarHBondContact O-N 2.96Å; G63-L66 WeakPolarHBondContact O-CB 3.5Å; G63-L66 PolarHBondContact O-N 3.23Å
64Q88.3Confident90.6Very high173 Ų17389.6 Ų89.681%0.80848%0.475SS*.Hα-helixtrans-62.9-29.9-175.3-64.8179.4-4.500113.6L66 A67 L68Q64-L66 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3.19Å; Q64-A67 PolarHBondContact O-N 3.27Å; Q64-L68 PolarHBondContact O-N 3.43Å; Q64-L68 VanDerWaalsContact O-N 3.14Å
65M88.1Confident90.4Very high86 Ų8688.3 Ų88.342%0.42447%0.47SS..Hα-helixtrans-67.2-34.4178.9-170.5172.3-7800111.5H56 E61 Q62 G63 L68 C69H56-M65 HydrophobicContact CB-CE 4.27Å; H56-M65 HydrophobicContact CB-SD 4.06Å; E61-M65 HydrophobicContact CB-CB 4.39Å; E61-M65 HydrophobicContact CB-CG 4.28Å; E61-M65 HydrophobicContact CG-CG 4.17Å; Q62-M65 PolarHBondContact O-N 2.81Å; G63-M65 VanDerWaalsContact C-N 3.27Å; G63-M65 PolarHBondContact O-N 2.96Å; M65-L68 PolarHBondContact O-N 2.84Å; M65-C69 VanDerWaalsContact O-CB 3.31Å; M65-C69 WeakPolarHBondContact O-CB 3.32Å; M65-C69 PolarHBondContact O-N 3.36Å; M65-C69 PolarHBondContact O-SG 2.87Å
66L92.2Very high90.2Very high57 Ų5783.4 Ų83.430%0.29845%0.45SS..Hα-helixtrans-62.1-44.9174.4-178.663.6000111.6E61 G63 Q64 C69 Q70E61-L66 HydrophobicContact CB-CB 3.91Å; E61-L66 HydrophobicContact CB-CD1 4.12Å; E61-L66 WeakPolarHBondContact OE2-CD1 3.18Å; G63-L66 WeakPolarHBondContact O-CB 3.5Å; G63-L66 PolarHBondContact O-N 3.23Å; Q64-L66 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3.19Å; L66-C69 PolarHBondContact O-N 2.92Å; L66-Q70 HydrophobicContact CD1-CG 4.24Å; L66-Q70 HydrophobicContact CG-CG 4.43Å; L66-Q70 WeakPolarHBondContact O-CB 3.33Å; L66-Q70 VanDerWaalsContact O-CG 3.27Å; L66-Q70 WeakPolarHBondContact O-CG 3.43Å; L66-Q70 PolarHBondContact O-N 3.38Å
67A89.6Confident89.8Confident52 Ų5284.1 Ų84.143%0.4345%0.452SS..Hα-helixtrans-62.1-46.9177.800000111.6Q64 C69 Q70 T71Q64-A67 PolarHBondContact O-N 3.27Å; A67-C69 PolarHBondContact O-N 2.9Å; A67-Q70 PolarHBondContact O-N 3.17Å; A67-T71 WeakPolarHBondContact O-CB 3.38Å; A67-T71 PolarHBondContact O-N 2.94Å; A67-T71 PolarHBondContact O-OG1 3.42Å; A67-T71 VanDerWaalsContact O-OG1 3.11Å
68L89.5Confident88.8Confident126 Ų12684.4 Ų84.466%0.6646%0.46SS*.Hα-helixtrans-57.7-46.7175-100160.3000112.4Q64 M65 T71 Y72Q64-L68 PolarHBondContact O-N 3.43Å; Q64-L68 VanDerWaalsContact O-N 3.14Å; M65-L68 PolarHBondContact O-N 2.84Å; L68-T71 PolarHBondContact O-N 2.99Å; L68-Y72 PolarHBondContact O-N 3.24Å
69C93.6Very high87.4Confident3 Ų383.1 Ų83.12%0.0246%0.458CS..Hα-helixtrans-70.1-33.6179.7-70.50000113.1C57 E61 M65 L66 A67 R73C57-C69 WeakPolarHBondContact CA-SG 3.45Å; C57-C69 HydrophobicContact CB-CB 3.62Å; C57-C69 WeakPolarHBondContact CB-SG 2.99Å; C57-C69 VanDerWaalsContact SG-CA 3.5Å; C57-C69 WeakPolarHBondContact SG-CB 3.39Å; C57-C69 CovalentContact SG-SG 2.03Å; C57-C69 PolarHBondContact SG-SG 2.94Å; E61-C69 HydrophobicContact CG-CB 4.08Å; M65-C69 VanDerWaalsContact O-CB 3.31Å; M65-C69 WeakPolarHBondContact O-CB 3.32Å; M65-C69 PolarHBondContact O-N 3.36Å; M65-C69 PolarHBondContact O-SG 2.87Å; L66-C69 PolarHBondContact O-N 2.92Å; A67-C69 PolarHBondContact O-N 2.9Å; C69-R73 WeakPolarHBondContact O-CB 3.45Å; C69-R73 WeakPolarHBondContact O-CD 3.47Å; C69-R73 WeakPolarHBondContact O-CG 3.27Å; C69-R73 PolarHBondContact O-N 3.17Å
70Q91Very high85.7Confident106 Ų10687.4 Ų87.450%0.49547%0.465SS..Hα-helixtrans-65.5-47.2170.4-76.7176.5-5.800111.4L66 A67 Y72 R73 Q74L66-Q70 HydrophobicContact CD1-CG 4.24Å; L66-Q70 HydrophobicContact CG-CG 4.43Å; L66-Q70 WeakPolarHBondContact O-CB 3.33Å; L66-Q70 VanDerWaalsContact O-CG 3.27Å; L66-Q70 WeakPolarHBondContact O-CG 3.43Å; L66-Q70 PolarHBondContact O-N 3.38Å; A67-Q70 PolarHBondContact O-N 3.17Å; Q70-Y72 VanDerWaalsContact C-N 3.34Å; Q70-Y72 PolarHBondContact O-N 2.02Å; Q70-R73 PolarHBondContact O-N 3.01Å; Q70-Q74 WeakPolarHBondContact O-CB 3.48Å; Q70-Q74 PolarHBondContact O-N 2.87Å
71T88.7Confident83.6Confident69 Ų6986.1 Ų86.142%0.42346%0.459SS..Hα-helixtrans-60.2-41.7175.6-630000111.8A67 L68 Q74 M75A67-T71 WeakPolarHBondContact O-CB 3.38Å; A67-T71 PolarHBondContact O-N 2.94Å; A67-T71 PolarHBondContact O-OG1 3.42Å; A67-T71 VanDerWaalsContact O-OG1 3.11Å; L68-T71 PolarHBondContact O-N 2.99Å; T71-Q74 PolarHBondContact O-N 3.42Å; T71-M75 HydrophobicContact CG2-CE 3.89Å; T71-M75 WeakPolarHBondContact O-CG 3.43Å; T71-M75 PolarHBondContact O-N 3.12Å
72Y90Very high81.4Confident30 Ų3089.3 Ų89.312%0.11850%0.496CS..Hα-helixtrans-63.3-47.6173.3-179.8-93.1000112.1E50 A53 L68 Q70 Q74 M75 C76 K77E50-Y72 WeakPolarHBondContact CA-OH 3.45Å; E50-Y72 WeakPolarHBondContact CB-OH 3.48Å; A53-Y72 HydrophobicContact CB-CD1 3.55Å; A53-Y72 HydrophobicContact CB-CD2 4.14Å; A53-Y72 HydrophobicContact CB-CE1 3.49Å; A53-Y72 VanDerWaalsContact CB-CE1 3.49Å; A53-Y72 HydrophobicContact CB-CE2 4.08Å; A53-Y72 HydrophobicContact CB-CG 3.9Å; L68-Y72 PolarHBondContact O-N 3.24Å; Q70-Y72 VanDerWaalsContact C-N 3.34Å; Q70-Y72 PolarHBondContact O-N 2.02Å; Y72-Q74 VanDerWaalsContact C-N 3.34Å; Y72-Q74 PolarHBondContact O-N 3.32Å; Y72-M75 PolarHBondContact O-N 3.21Å; Y72-C76 HydrophobicContact CD1-CB 4.49Å; Y72-C76 HydrophobicContact CD2-CB 4.01Å; Y72-C76 HydrophobicContact CE1-CB 4.18Å; Y72-C76 HydrophobicContact CE2-CB 3.67Å; Y72-C76 HydrophobicContact CG-CB 4.4Å; Y72-C76 WeakPolarHBondContact O-CA 3.39Å; Y72-C76 WeakPolarHBondContact O-CB 3.19Å; Y72-C76 PolarHBondContact O-N 3.05Å; Y72-K77 HydrophobicContact CE1-CG 4.38Å
73R91.4Very high79.1Confident79 Ų7988.3 Ų88.330%0.29849%0.491SS..Iπ-helixtrans-55.8-49.1176.1-74.9164.9-177.6139.88.5110.9C57 E61 C69 Q70 K77 G78C57-R73 PolarHBondContact O-NH2 3.27Å; E61-R73 IonicContact OE1-CZ 2.78Å; E61-R73 IonicContact OE1-NH1 3.41Å; E61-R73 IonicContact OE1-NH2 3.57Å; E61-R73 PolarHBondContact OE1-NH2 2.94Å; E61-R73 IonicContact OE2-CZ 2.66Å; E61-R73 IonicContact OE2-NH1 3.52Å; E61-R73 PolarHBondContact OE2-NH1 3.46Å; E61-R73 IonicContact OE2-NH2 3.23Å; E61-R73 PolarHBondContact OE2-NH2 3.45Å; C69-R73 WeakPolarHBondContact O-CB 3.45Å; C69-R73 WeakPolarHBondContact O-CD 3.47Å; C69-R73 WeakPolarHBondContact O-CG 3.27Å; C69-R73 PolarHBondContact O-N 3.17Å; Q70-R73 PolarHBondContact O-N 3.01Å; R73-K77 PolarHBondContact O-N 3.47Å; R73-G78 PolarHBondContact O-N 3.29Å
74Q89.2Confident76.7Confident156 Ų15689.1 Ų89.173%0.72949%0.487SS*.Iπ-helixtrans-63.1-43.3-178.4-170.6179.218.900113.3Q70 T71 Y72Q70-Q74 WeakPolarHBondContact O-CB 3.48Å; Q70-Q74 PolarHBondContact O-N 2.87Å; T71-Q74 PolarHBondContact O-N 3.42Å; Y72-Q74 VanDerWaalsContact C-N 3.34Å; Y72-Q74 PolarHBondContact O-N 3.32Å
75M86.7Confident74.3Confident96 Ų9683.6 Ų83.647%0.47348%0.477SS..Iπ-helixtrans-84.1-31.1-178.4-65.6-158-59.700114.1L45 T71 Y72L45-M75 HydrophobicContact CD2-CE 4.23Å; T71-M75 HydrophobicContact CG2-CE 3.89Å; T71-M75 WeakPolarHBondContact O-CG 3.43Å; T71-M75 PolarHBondContact O-N 3.12Å; Y72-M75 PolarHBondContact O-N 3.21Å
76C89.6Confident72.2Confident34 Ų3481.8 Ų81.823%0.2347%0.472CS..Iπ-helixtrans-117.9-26.5-164.7-60.90000115.4C46 Y72C46-C76 WeakPolarHBondContact CA-SG 3.4Å; C46-C76 HydrophobicContact CB-CB 3.55Å; C46-C76 WeakPolarHBondContact CB-SG 3.15Å; C46-C76 WeakPolarHBondContact SG-CA 3.24Å; C46-C76 WeakPolarHBondContact SG-CB 3.43Å; C46-C76 CovalentContact SG-SG 2.03Å; C46-C76 PolarHBondContact SG-SG 2.77Å; Y72-C76 HydrophobicContact CD1-CB 4.49Å; Y72-C76 HydrophobicContact CD2-CB 4.01Å; Y72-C76 HydrophobicContact CE1-CB 4.18Å; Y72-C76 HydrophobicContact CE2-CB 3.67Å; Y72-C76 HydrophobicContact CG-CB 4.4Å; Y72-C76 WeakPolarHBondContact O-CA 3.39Å; Y72-C76 WeakPolarHBondContact O-CB 3.19Å; Y72-C76 PolarHBondContact O-N 3.05Å
77K81.4Confident70.2Confident101 Ų10183.3 Ų83.344%0.43948%0.48SS..Iπ-helixtrans-100.3-15173.7-69.7-164.1170.2-170.30113.4Y72 R73 Q80Y72-K77 HydrophobicContact CE1-CG 4.38Å; R73-K77 PolarHBondContact O-N 3.47Å; K77-Q80 HydrophobicContact CB-CG 4.1Å; K77-Q80 WeakPolarHBondContact O-CG 3.47Å
78G73.4Confident68.2Low33 Ų3384.3 Ų84.334%0.3449%0.488SS..  trans65.5-171.1-172.600000112.4R73 Q80R73-G78 PolarHBondContact O-N 3.29Å; G78-Q80 PolarHBondContact O-N 2.03Å
79P61.4Low66.5Low91 Ų9184.5 Ų84.559%0.59149%0.486SS*.  trans-67.6104.1171.9-15.530.7000109.8S84P79-S84 PolarHBondContact O-OG 3.25Å
80Q53.2Low64.9Low136 Ų13690.1 Ų90.164%0.63651%0.512SS*.  trans-95.110175.1-66-150.1-35.200113.6K77 G78K77-Q80 HydrophobicContact CB-CG 4.1Å; K77-Q80 WeakPolarHBondContact O-CG 3.47Å; G78-Q80 PolarHBondContact O-N 2.03Å
81D47.5Very low63.6Low128 Ų12891 Ų9168%0.68452%0.516SS*.SBendtrans-76.5137.3163.7-59.5-57.7000109.6H83D81-H83 PolarHBondContact O-N 2.76Å
82G42.2Very low62.7Low84 Ų8491.3 Ų91.387%0.86652%0.521SS*.THydrogen-bonded Turntrans-70.331.1-164.300000117.7
83H43Very low62.3Low151 Ų15196 Ų9670%0.69954%0.543SS*.THydrogen-bonded Turntrans-111.59.7-179.9-76.678.2000113.9D81 G85 S86D81-H83 PolarHBondContact O-N 2.76Å; H83-G85 PolarHBondContact O-N 3.32Å; H83-S86 WeakPolarHBondContact O-CB 3.46Å; H83-S86 PolarHBondContact O-N 3.15Å; H83-S86 PolarHBondContact O-OG 2.74Å; H83-S86 VanDerWaalsContact O-OG 3.05Å
84S40.8Very low61.9Low80 Ų8095.4 Ų95.456%0.55954%0.544SS*.THydrogen-bonded Turntrans-65.49.2-175-61.10000116.8P79P79-S84 PolarHBondContact O-OG 3.25Å
85G38.1Very low61.5Low58 Ų5891.3 Ų91.360%0.59853%0.533SS*.THydrogen-bonded Turntrans-85.4-23.2160.400000113.9H83H83-G85 PolarHBondContact O-N 3.32Å
86S44.7Very low61.5Low47 Ų4788.5 Ų88.533%0.32952%0.523SS..Hα-helixtrans-74.9-37.3-170.970.30000113.6H83 A88 Q89 E90H83-S86 WeakPolarHBondContact O-CB 3.46Å; H83-S86 PolarHBondContact O-N 3.15Å; H83-S86 PolarHBondContact O-OG 2.74Å; H83-S86 VanDerWaalsContact O-OG 3.05Å; S86-A88 VanDerWaalsContact C-N 3.3Å; S86-A88 PolarHBondContact O-N 3.04Å; S86-Q89 CarbonylContact O-C 3.42Å; S86-Q89 WeakPolarHBondContact O-CA 3.43Å; S86-Q89 WeakPolarHBondContact O-CB 3.31Å; S86-Q89 PolarHBondContact O-N 2.67Å; S86-E90 WeakPolarHBondContact O-CB 3.38Å; S86-E90 PolarHBondContact O-N 3.33Å
87I49.6Very low61.5Low89 Ų8989.3 Ų89.346%0.45652%0.521SS..Hα-helixtrans-63.4-36.5-170.3-61.9171.5000111.8Q91I87-Q91 WeakPolarHBondContact O-CB 3.4Å; I87-Q91 WeakPolarHBondContact O-CG 3.14Å; I87-Q91 PolarHBondContact O-N 3.17Å
88A47.7Very low62Low74 Ų7485.2 Ų85.261%0.61251%0.505SS*.Hα-helixtrans-70.5-39.1172.800000112.1S86 S92S86-A88 VanDerWaalsContact C-N 3.3Å; S86-A88 PolarHBondContact O-N 3.04Å; A88-S92 WeakPolarHBondContact O-CB 3.41Å; A88-S92 PolarHBondContact O-N 2.93Å
89Q52.7Low62.7Low130 Ų13094.1 Ų94.161%0.60753%0.528SS*.Hα-helixtrans-66.8-34.1173.5-98.9-173-14.500112.9S86 S92 Q93S86-Q89 CarbonylContact O-C 3.42Å; S86-Q89 WeakPolarHBondContact O-CA 3.43Å; S86-Q89 WeakPolarHBondContact O-CB 3.31Å; S86-Q89 PolarHBondContact O-N 2.67Å; Q89-S92 PolarHBondContact O-N 2.78Å; Q89-Q93 WeakPolarHBondContact O-CB 3.29Å; Q89-Q93 VanDerWaalsContact O-CG 3.31Å; Q89-Q93 WeakPolarHBondContact O-CG 3.48Å; Q89-Q93 PolarHBondContact O-N 3.41Å
90E59.7Low64.1Low120 Ų12098.7 Ų98.756%0.56153%0.534SS*.Hα-helixtrans-77.2-42.3-178.5-170.9170.8-165.100110.2S86 S92 Q93 Q94S86-E90 WeakPolarHBondContact O-CB 3.38Å; S86-E90 PolarHBondContact O-N 3.33Å; E90-S92 VanDerWaalsContact C-N 3.29Å; E90-S92 PolarHBondContact O-N 2.82Å; E90-Q93 PolarHBondContact O-N 3.36Å; E90-Q94 WeakPolarHBondContact O-CB 2.99Å; E90-Q94 PolarHBondContact O-N 2.93Å
91Q64.2Low65.9Low126 Ų12694.2 Ų94.259%0.58951%0.514SS*.Hα-helixtrans-62.3-36.3168.6-71.2179.38.400112.1I87 S95I87-Q91 WeakPolarHBondContact O-CB 3.4Å; I87-Q91 WeakPolarHBondContact O-CG 3.14Å; I87-Q91 PolarHBondContact O-N 3.17Å; Q91-S95 WeakPolarHBondContact O-CB 3.39Å; Q91-S95 PolarHBondContact O-N 2.03Å; Q91-S95 PolarHBondContact O-OG 3.1Å
92S71.1Confident67.9Low74 Ų7489.9 Ų89.952%0.51749%0.494SS..Hα-helixtrans-66.6-46.5172.8-1780000112.3A88 Q89 E90 S95 S96A88-S92 WeakPolarHBondContact O-CB 3.41Å; A88-S92 PolarHBondContact O-N 2.93Å; Q89-S92 PolarHBondContact O-N 2.78Å; E90-S92 VanDerWaalsContact C-N 3.29Å; E90-S92 PolarHBondContact O-N 2.82Å; S92-S95 PolarHBondContact O-OG 2.83Å; S92-S95 VanDerWaalsContact O-OG 3.05Å; S92-S96 VanDerWaalsContact O-CB 3.27Å; S92-S96 WeakPolarHBondContact O-CB 3.36Å; S92-S96 PolarHBondContact O-N 3.05Å; S92-S96 PolarHBondContact O-OG 2.97Å
93Q81Confident70Confident128 Ų12891.7 Ų91.760%0.59848%0.484SS*.Hα-helixtrans-64.2-44.3175.7-77.9-173.821.200111.4Q89 E90 S96 Y97Q89-Q93 WeakPolarHBondContact O-CB 3.29Å; Q89-Q93 VanDerWaalsContact O-CG 3.31Å; Q89-Q93 WeakPolarHBondContact O-CG 3.48Å; Q89-Q93 PolarHBondContact O-N 3.41Å; E90-Q93 PolarHBondContact O-N 3.36Å; Q93-S96 CarbonylContact O-C 3.54Å; Q93-S96 PolarHBondContact O-N 2.64Å; Q93-S96 PolarHBondContact O-OG 3.22Å; Q93-Y97 VanDerWaalsContact O-CB 3.28Å; Q93-Y97 WeakPolarHBondContact O-CB 2.93Å; Q93-Y97 PolarHBondContact O-N 2.75Å
94Q82.8Confident72Confident68 Ų6886 Ų8632%0.31846%0.463SS..Hα-helixtrans-61.5-50.2178.4-174.4171.313.100111.1E90 S96 Y97 C98 K127E90-Q94 WeakPolarHBondContact O-CB 2.99Å; E90-Q94 PolarHBondContact O-N 2.93Å; Q94-S96 VanDerWaalsContact C-N 3.35Å; Q94-S96 PolarHBondContact O-N 2.84Å; Q94-Y97 WeakPolarHBondContact O-CB 3.44Å; Q94-Y97 PolarHBondContact O-N 2.68Å; Q94-Y97 VanDerWaalsContact O-N 3.14Å; Q94-C98 PolarHBondContact O-N 3.44Å; Q94-C98 PolarHBondContact O-SG 2.77Å; Q94-K127 PolarHBondContact NE2-O 2.77Å
95S81.8Confident74.3Confident70 Ų7085.4 Ų85.449%0.4945%0.449SS..Hα-helixtrans-62.9-38.5174.2570000112.4Q91 S92 Y97 R99Q91-S95 WeakPolarHBondContact O-CB 3.39Å; Q91-S95 PolarHBondContact O-N 2.03Å; Q91-S95 PolarHBondContact O-OG 3.1Å; S92-S95 PolarHBondContact O-OG 2.83Å; S92-S95 VanDerWaalsContact O-OG 3.05Å; S95-Y97 VanDerWaalsContact C-N 3.32Å; S95-Y97 PolarHBondContact O-N 3.42Å; S95-R99 VanDerWaalsContact O-CB 3.24Å; S95-R99 WeakPolarHBondContact O-CB 3.24Å; S95-R99 PolarHBondContact O-N 2.77Å
96S86.4Confident76.4Confident37 Ų3788 Ų8826%0.25945%0.447SS..Hα-helixtrans-67.3-29.1173.487.20000113.6S92 Q93 Q94 R100S92-S96 VanDerWaalsContact O-CB 3.27Å; S92-S96 WeakPolarHBondContact O-CB 3.36Å; S92-S96 PolarHBondContact O-N 3.05Å; S92-S96 PolarHBondContact O-OG 2.97Å; Q93-S96 CarbonylContact O-C 3.54Å; Q93-S96 PolarHBondContact O-N 2.64Å; Q93-S96 PolarHBondContact O-OG 3.22Å; Q94-S96 VanDerWaalsContact C-N 3.35Å; Q94-S96 PolarHBondContact O-N 2.84Å; S96-R100 WeakPolarHBondContact O-CB 2.97Å; S96-R100 VanDerWaalsContact O-CG 3.3Å; S96-R100 WeakPolarHBondContact O-CG 3.38Å; S96-R100 PolarHBondContact O-N 3.24Å; S96-R100 PolarHBondContact O-NE 3.49Å; S96-R100 PolarHBondContact OG-NH2 2.9Å
97Y89.5Confident78.2Confident51 Ų5189.7 Ų89.720%0.246%0.455CS..Hα-helixtrans-74.8-48.6176.8167.6-95.9000109.6Q93 Q94 S95 R99 R100 N101 Y124 K127Q93-Y97 VanDerWaalsContact O-CB 3.28Å; Q93-Y97 WeakPolarHBondContact O-CB 2.93Å; Q93-Y97 PolarHBondContact O-N 2.75Å; Q94-Y97 WeakPolarHBondContact O-CB 3.44Å; Q94-Y97 PolarHBondContact O-N 2.68Å; Q94-Y97 VanDerWaalsContact O-N 3.14Å; S95-Y97 VanDerWaalsContact C-N 3.32Å; S95-Y97 PolarHBondContact O-N 3.42Å; Y97-R99 PolarHBondContact O-N 3.27Å; Y97-R100 PolarHBondContact O-N 2.75Å; Y97-N101 VanDerWaalsContact CD2-ND2 3.31Å; Y97-N101 WeakPolarHBondContact CD2-ND2 3.02Å; Y97-N101 WeakPolarHBondContact CE2-ND2 3.36Å; Y97-N101 WeakPolarHBondContact O-CB 3.16Å; Y97-N101 PolarHBondContact O-N 3.31Å; Y97-N101 PolarHBondContact O-ND2 3.14Å; Y97-Y124 HydrophobicContact CE1-CD2 4.18Å; Y97-K127 HydrophobicContact CD1-CB 4.5Å; Y97-K127 HydrophobicContact CD1-CD 4.35Å; Y97-K127 HydrophobicContact CE1-CB 4.33Å; Y97-K127 HydrophobicContact CE1-CD 4.11Å
98C91.2Very high79.8Confident14 Ų1492.3 Ų92.310%0.09546%0.46CS..Hα-helixtrans-59.3-47.8175.5-58.60000111.1Q94 R100 N101 S102 Y124 C128Q94-C98 PolarHBondContact O-N 3.44Å; Q94-C98 PolarHBondContact O-SG 2.77Å; C98-R100 VanDerWaalsContact C-N 3.29Å; C98-R100 PolarHBondContact O-N 2.76Å; C98-N101 PolarHBondContact O-N 2.92Å; C98-S102 WeakPolarHBondContact O-CB 3.35Å; C98-S102 PolarHBondContact O-N 3.44Å; C98-Y124 HydrophobicContact CB-CE2 4.45Å; C98-Y124 PolarHBondContact O-OH 3.33Å; C98-C128 WeakPolarHBondContact CA-SG 3.43Å; C98-C128 HydrophobicContact CB-CB 3.82Å; C98-C128 WeakPolarHBondContact CB-SG 3.29Å; C98-C128 WeakPolarHBondContact SG-CA 3.3Å; C98-C128 WeakPolarHBondContact SG-CB 3.34Å; C98-C128 CovalentContact SG-SG 2.03Å; C98-C128 PolarHBondContact SG-SG 3.49Å
99R89.1Confident81.7Confident220 Ų22089.8 Ų89.883%0.8344%0.438SS*.Hα-helixtrans-65.7-25.7179.1-169.6173.8-177.4179.61.4114.3S95 Y97S95-R99 VanDerWaalsContact O-CB 3.24Å; S95-R99 WeakPolarHBondContact O-CB 3.24Å; S95-R99 PolarHBondContact O-N 2.77Å; Y97-R99 PolarHBondContact O-N 3.27Å
100R89.9Confident82.9Confident187 Ų18788.8 Ų88.871%0.70644%0.436SS*.Hα-helixtrans-85.8-32.5174.9-79-178.5-78-179.4-6.6113.3S96 Y97 C98S96-R100 WeakPolarHBondContact O-CB 2.97Å; S96-R100 VanDerWaalsContact O-CG 3.3Å; S96-R100 WeakPolarHBondContact O-CG 3.38Å; S96-R100 PolarHBondContact O-N 3.24Å; S96-R100 PolarHBondContact O-NE 3.49Å; S96-R100 PolarHBondContact OG-NH2 2.9Å; Y97-R100 PolarHBondContact O-N 2.75Å; C98-R100 VanDerWaalsContact C-N 3.29Å; C98-R100 PolarHBondContact O-N 2.76Å
101N91.3Very high83.5Confident43 Ų4388.3 Ų88.323%0.2343%0.433CS..Hα-helixtrans-99.1-2.7-174.7-68-89.2000113.6Y97 C98 N103 A104 Y105 F120 Y124Y97-N101 VanDerWaalsContact CD2-ND2 3.31Å; Y97-N101 WeakPolarHBondContact CD2-ND2 3.02Å; Y97-N101 WeakPolarHBondContact CE2-ND2 3.36Å; Y97-N101 WeakPolarHBondContact O-CB 3.16Å; Y97-N101 PolarHBondContact O-N 3.31Å; Y97-N101 PolarHBondContact O-ND2 3.14Å; C98-N101 PolarHBondContact O-N 2.92Å; N101-N103 PolarHBondContact O-N 2.87Å; N101-A104 PolarHBondContact O-N 2.93Å; N101-Y105 PolarHBondContact O-N 3.26Å; N101-F120 HydrophobicContact CB-CE2 4.14Å; N101-F120 HydrophobicContact CB-CZ 4.13Å; N101-Y124 HydrophobicContact CB-CD2 3.74Å; N101-Y124 HydrophobicContact CB-CE2 3.75Å
102S89.1Confident84Confident36 Ų3690 Ų9025%0.25244%0.441SS..Hα-helixtrans-55.5-45.8-178.956.20000113.1C98 Y105 M106 Y124C98-S102 WeakPolarHBondContact O-CB 3.35Å; C98-S102 PolarHBondContact O-N 3.44Å; S102-Y105 PolarHBondContact O-N 2.93Å; S102-M106 VanDerWaalsContact O-CG 3.32Å; S102-M106 WeakPolarHBondContact O-CG 3.34Å; S102-M106 PolarHBondContact O-N 2.86Å; S102-Y124 WeakPolarHBondContact CA-OH 3.36Å
103N86.6Confident84.4Confident123 Ų12388.3 Ų88.366%0.65843%0.429SS*.Hα-helixtrans-66.1-43.8179.7-69.110.3000111.2N101 Y105 M106 T107N101-N103 PolarHBondContact O-N 2.87Å; N103-Y105 VanDerWaalsContact C-N 3.29Å; N103-Y105 PolarHBondContact O-N 3.29Å; N103-M106 PolarHBondContact O-N 3.49Å; N103-T107 PolarHBondContact O-N 3.44Å; N103-T107 PolarHBondContact O-OG1 2.9Å
104A85.6Confident84.4Confident31 Ų3189.8 Ų89.826%0.25644%0.435SS..Hα-helixtrans-62-36175.100000112.2N101 Y108 F120N101-A104 PolarHBondContact O-N 2.93Å; A104-Y108 HydrophobicContact CB-CD2 4.11Å; A104-Y108 HydrophobicContact CB-CE2 4.28Å; A104-Y108 WeakPolarHBondContact O-CB 3.05Å; A104-Y108 WeakPolarHBondContact O-CD2 3.39Å; A104-Y108 PolarHBondContact O-N 3.31Å; A104-F120 HydrophobicContact CB-CE1 4.21Å; A104-F120 HydrophobicContact CB-CZ 3.81Å
105Y87.7Confident84.3Confident67 Ų6789.2 Ų89.226%0.26345%0.448SS..Hα-helixtrans-65.6-45.8172.4-179.4-93.3000112N101 S102 N103 T107 C109 Y124N101-Y105 PolarHBondContact O-N 3.26Å; S102-Y105 PolarHBondContact O-N 2.93Å; N103-Y105 VanDerWaalsContact C-N 3.29Å; N103-Y105 PolarHBondContact O-N 3.29Å; Y105-T107 VanDerWaalsContact C-N 3.34Å; Y105-T107 PolarHBondContact O-N 3.3Å; Y105-C109 HydrophobicContact CD2-CB 3.65Å; Y105-C109 WeakPolarHBondContact CD2-SG 3.34Å; Y105-C109 HydrophobicContact CE2-CB 3.64Å; Y105-C109 HydrophobicContact CG-CB 4.14Å; Y105-C109 WeakPolarHBondContact O-CA 3.49Å; Y105-C109 WeakPolarHBondContact O-CB 3.27Å; Y105-C109 PolarHBondContact O-N 2.95Å; Y105-Y124 HydrophobicContact CD1-CD1 4.03Å; Y105-Y124 AromaticContact CD1-CE1 3.86Å; Y105-Y124 HydrophobicContact CD1-CE1 3.86Å; Y105-Y124 AromaticContact CD2-CD1 3.16Å; Y105-Y124 HydrophobicContact CD2-CD1 3.16Å; Y105-Y124 AromaticContact CD2-CE1 3.87Å; Y105-Y124 HydrophobicContact CD2-CE1 3.87Å; Y105-Y124 AromaticContact CD2-CG 3.59Å; Y105-Y124 HydrophobicContact CD2-CG 3.59Å; Y105-Y124 HydrophobicContact CE1-CD1 4.41Å; Y105-Y124 HydrophobicContact CE1-CE1 4.39Å; Y105-Y124 AromaticContact CE2-CD1 3.62Å; Y105-Y124 HydrophobicContact CE2-CD1 3.62Å; Y105-Y124 HydrophobicContact CE2-CE1 4.38Å; Y105-Y124 HydrophobicContact CE2-CG 4.31Å; Y105-Y124 AromaticContact CG-CD1 3.39Å; Y105-Y124 HydrophobicContact CG-CD1 3.39Å; Y105-Y124 AromaticContact CG-CE1 3.58Å; Y105-Y124 HydrophobicContact CG-CE1 3.58Å; Y105-Y124 AromaticContact CG-CG 3.95Å; Y105-Y124 HydrophobicContact CG-CG 3.95Å
106M83Confident84.3Confident114 Ų11490.8 Ų90.856%0.56246%0.459SS*.Hα-helixtrans-59.5-44.1176.8-67.4-64.1-66.700111.6S102 N103 I110S102-M106 VanDerWaalsContact O-CG 3.32Å; S102-M106 WeakPolarHBondContact O-CG 3.34Å; S102-M106 PolarHBondContact O-N 2.86Å; N103-M106 PolarHBondContact O-N 3.49Å; M106-I110 HydrophobicContact CB-CD1 4.48Å; M106-I110 HydrophobicContact CE-CD1 3.54Å; M106-I110 WeakPolarHBondContact O-CB 3.5Å; M106-I110 HydrophobicContact SD-CD1 3.69Å
107T83.1Confident84.1Confident82 Ų8290.2 Ų90.250%0.50346%0.456SS..Hα-helixtrans-70.5-53.3179-550000112.6N103 Y105N103-T107 PolarHBondContact O-N 3.44Å; N103-T107 PolarHBondContact O-OG1 2.9Å; Y105-T107 VanDerWaalsContact C-N 3.34Å; Y105-T107 PolarHBondContact O-N 3.3Å
108Y83.4Confident83.8Confident143 Ų14391.1 Ų91.156%0.56146%0.464SS*.Hα-helixtrans-91.3-16.3-168.4-60.3-59.1000115.2A104 P113A104-Y108 HydrophobicContact CB-CD2 4.11Å; A104-Y108 HydrophobicContact CB-CE2 4.28Å; A104-Y108 WeakPolarHBondContact O-CB 3.05Å; A104-Y108 WeakPolarHBondContact O-CD2 3.39Å; A104-Y108 PolarHBondContact O-N 3.31Å; Y108-P113 WeakPolarHBondContact O-CA 3.17Å; Y108-P113 WeakPolarHBondContact O-CB 3.42Å
109C86.2Confident83.6Confident21 Ų2197.9 Ų97.914%0.14249%0.492CS..Hα-helixtrans-109.5-14.7-172.7-54.60000114.5Y105 C121Y105-C109 HydrophobicContact CD2-CB 3.65Å; Y105-C109 WeakPolarHBondContact CD2-SG 3.34Å; Y105-C109 HydrophobicContact CE2-CB 3.64Å; Y105-C109 HydrophobicContact CG-CB 4.14Å; Y105-C109 WeakPolarHBondContact O-CA 3.49Å; Y105-C109 WeakPolarHBondContact O-CB 3.27Å; Y105-C109 PolarHBondContact O-N 2.95Å; C109-C121 WeakPolarHBondContact CA-SG 3.44Å; C109-C121 HydrophobicContact CB-CB 3.74Å; C109-C121 WeakPolarHBondContact CB-SG 3.48Å; C109-C121 WeakPolarHBondContact SG-CA 3.45Å; C109-C121 WeakPolarHBondContact SG-CB 3Å; C109-C121 CovalentContact SG-SG 2.03Å; C109-C121 PolarHBondContact SG-SG 2.89Å
110I78.6Confident83.6Confident109 Ų10989.9 Ų89.956%0.55946%0.463SS*.Hα-helixtrans-87.3-45.9172.3-60.4-179.1000109.7M106 Q112M106-I110 HydrophobicContact CB-CD1 4.48Å; M106-I110 HydrophobicContact CE-CD1 3.54Å; M106-I110 WeakPolarHBondContact O-CB 3.5Å; M106-I110 HydrophobicContact SD-CD1 3.69Å; I110-Q112 PolarHBondContact O-N 3.22Å
111E71.8Confident83.7Confident110 Ų11081.6 Ų81.651%0.51443%0.434SS..SBendtrans-8683.7176.7-63.7-176.3-178.100110.7
112Q75.3Confident83.4Confident162 Ų16288.3 Ų88.376%0.75746%0.456SS*.  trans2880.2173.2-68-165.75.900116.2I110 Q114I110-Q112 PolarHBondContact O-N 3.22Å; Q112-Q114 PolarHBondContact O-N 3.12Å; Q112-Q114 VanDerWaalsContact O-N 3.08Å
113P78.8Confident83.4Confident39 Ų3990.1 Ų90.125%0.25346%0.463SS..  trans-58.2116.1178.820.2-31.9000112.1Y108 A117 I118Y108-P113 WeakPolarHBondContact O-CA 3.17Å; Y108-P113 WeakPolarHBondContact O-CB 3.42Å; P113-A117 HydrophobicContact CB-CB 3.83Å; P113-I118 HydrophobicContact CB-CG1 4.16Å; P113-I118 HydrophobicContact CG-CG1 4.49Å; P113-I118 WeakPolarHBondContact O-CG1 3.38Å
114Q80.6Confident83.7Confident158 Ų15885.7 Ų85.774%0.73844%0.437SS*.  trans-98150.8173.8-60.7-155.91700112.2Q112 S116 A117Q112-Q114 PolarHBondContact O-N 3.12Å; Q112-Q114 VanDerWaalsContact O-N 3.08Å; Q114-S116 PolarHBondContact O-N 2.87Å; Q114-A117 WeakPolarHBondContact O-CB 3.28Å; Q114-A117 PolarHBondContact O-N 3.08Å
115G81.9Confident83.7Confident56 Ų5685.5 Ų85.558%0.57744%0.436SS*.THydrogen-bonded Turntrans56.1-12917500000114A117 I118G115-A117 PolarHBondContact O-N 2.87Å; G115-I118 PolarHBondContact O-N 2.88Å
116S80.6Confident83.7Confident103 Ų10386.2 Ų86.272%0.7245%0.451SS*.THydrogen-bonded Turntrans-63.8-22.8-175.852.70000114.2Q114 I118 F119Q114-S116 PolarHBondContact O-N 2.87Å; S116-I118 PolarHBondContact O-N 3.04Å; S116-F119 PolarHBondContact O-N 3.41Å; S116-F119 VanDerWaalsContact O-N 3.1Å
117A82.1Confident83.8Confident25 Ų2585.2 Ų85.221%0.20744%0.443CS..Hα-helixtrans-57.6-31.6178.400000112.5P113 Q114 G115 F119 F120 C121P113-A117 HydrophobicContact CB-CB 3.83Å; Q114-A117 WeakPolarHBondContact O-CB 3.28Å; Q114-A117 PolarHBondContact O-N 3.08Å; G115-A117 PolarHBondContact O-N 2.87Å; A117-F119 PolarHBondContact O-N 3.28Å; A117-F120 WeakPolarHBondContact O-CB 3.35Å; A117-F120 PolarHBondContact O-N 2.97Å; A117-F120 VanDerWaalsContact O-N 3.09Å; A117-C121 PolarHBondContact O-N 3.41Å; A117-C121 PolarHBondContact O-SG 2.83Å
118I83.6Confident84Confident70 Ų7081.9 Ų81.936%0.35942%0.423SS..Hα-helixtrans-57.5-36.4178.6-60.3172.1000111.7P113 G115 S116 R122P113-I118 HydrophobicContact CB-CG1 4.16Å; P113-I118 HydrophobicContact CG-CG1 4.49Å; P113-I118 WeakPolarHBondContact O-CG1 3.38Å; G115-I118 PolarHBondContact O-N 2.88Å; S116-I118 PolarHBondContact O-N 3.04Å; I118-R122 WeakPolarHBondContact O-CB 3.43Å; I118-R122 WeakPolarHBondContact O-CG 3.4Å; I118-R122 PolarHBondContact O-N 3.05Å
119F86.3Confident83.4Confident156 Ų15680.3 Ų80.368%0.68443%0.428SS*.Hα-helixtrans-70.8-40.9177.3-68.4-85.1000112S116 A117 N123S116-F119 PolarHBondContact O-N 3.41Å; S116-F119 VanDerWaalsContact O-N 3.1Å; A117-F119 PolarHBondContact O-N 3.28Å; F119-N123 VanDerWaalsContact O-CB 3.25Å; F119-N123 WeakPolarHBondContact O-CB 3.33Å; F119-N123 PolarHBondContact O-N 2.92Å
120F90.8Very high81.8Confident52 Ų5289.2 Ų89.223%0.22846%0.459CS..Hα-helixtrans-60.4-49172.7167.4-101.5000111N101 A104 A117 R122 N123 Y124N101-F120 HydrophobicContact CB-CE2 4.14Å; N101-F120 HydrophobicContact CB-CZ 4.13Å; A104-F120 HydrophobicContact CB-CE1 4.21Å; A104-F120 HydrophobicContact CB-CZ 3.81Å; A117-F120 WeakPolarHBondContact O-CB 3.35Å; A117-F120 PolarHBondContact O-N 2.97Å; A117-F120 VanDerWaalsContact O-N 3.09Å; F120-R122 PolarHBondContact O-N 3.28Å; F120-N123 PolarHBondContact O-N 3.43Å; F120-Y124 WeakPolarHBondContact O-CB 3.03Å; F120-Y124 PolarHBondContact O-N 3.45Å
121C90.4Very high79.9Confident14 Ų1489.9 Ų89.910%0.09547%0.474CS..Hα-helixtrans-60.6-42.5179.7-590000112.7C109 A117 A125C109-C121 WeakPolarHBondContact CA-SG 3.44Å; C109-C121 HydrophobicContact CB-CB 3.74Å; C109-C121 WeakPolarHBondContact CB-SG 3.48Å; C109-C121 WeakPolarHBondContact SG-CA 3.45Å; C109-C121 WeakPolarHBondContact SG-CB 3Å; C109-C121 CovalentContact SG-SG 2.03Å; C109-C121 PolarHBondContact SG-SG 2.89Å; A117-C121 PolarHBondContact O-N 3.41Å; A117-C121 PolarHBondContact O-SG 2.83Å; C121-A125 VanDerWaalsContact O-CB 3.24Å; C121-A125 WeakPolarHBondContact O-CB 3.28Å; C121-A125 PolarHBondContact O-N 3.46Å
122R86.9Confident78.7Confident184 Ų18489.8 Ų89.869%0.69448%0.48SS*.Hα-helixtrans-65.4-40.6175.2-78178.6167-178.3-4113I118 F120 S126I118-R122 WeakPolarHBondContact O-CB 3.43Å; I118-R122 WeakPolarHBondContact O-CG 3.4Å; I118-R122 PolarHBondContact O-N 3.05Å; F120-R122 PolarHBondContact O-N 3.28Å; R122-S126 WeakPolarHBondContact O-CB 3.41Å; R122-S126 PolarHBondContact O-N 3.11Å; R122-S126 PolarHBondContact O-OG 3.03Å
123N89Confident76.9Confident73 Ų7389.5 Ų89.539%0.3948%0.484SS..Hα-helixtrans-71.1-40.6179.9-1683000111.8F119 F120 S126 K127F119-N123 VanDerWaalsContact O-CB 3.25Å; F119-N123 WeakPolarHBondContact O-CB 3.33Å; F119-N123 PolarHBondContact O-N 2.92Å; F120-N123 PolarHBondContact O-N 3.43Å; N123-S126 PolarHBondContact O-OG 2.88Å; N123-S126 VanDerWaalsContact O-OG 3.11Å; N123-K127 WeakPolarHBondContact O-CB 3.32Å; N123-K127 WeakPolarHBondContact O-CG 3.27Å; N123-K127 PolarHBondContact O-N 3.38Å; N123-K127 VanDerWaalsContact O-N 3.16Å; N123-K127 VanDerWaalsContact OD1-CE 3.27Å; N123-K127 WeakPolarHBondContact OD1-CE 3.05Å
124Y91.3Very high75Confident30 Ų3098.4 Ų98.412%0.11851%0.512CS..Hα-helixtrans-63.5-47.5171.9-174.1-82.6000110.9Y97 C98 N101 S102 Y105 F120 S126 K127 C128Y97-Y124 HydrophobicContact CE1-CD2 4.18Å; C98-Y124 HydrophobicContact CB-CE2 4.45Å; C98-Y124 PolarHBondContact O-OH 3.33Å; N101-Y124 HydrophobicContact CB-CD2 3.74Å; N101-Y124 HydrophobicContact CB-CE2 3.75Å; S102-Y124 WeakPolarHBondContact CA-OH 3.36Å; Y105-Y124 HydrophobicContact CD1-CD1 4.03Å; Y105-Y124 AromaticContact CD1-CE1 3.86Å; Y105-Y124 HydrophobicContact CD1-CE1 3.86Å; Y105-Y124 AromaticContact CD2-CD1 3.16Å; Y105-Y124 HydrophobicContact CD2-CD1 3.16Å; Y105-Y124 AromaticContact CD2-CE1 3.87Å; Y105-Y124 HydrophobicContact CD2-CE1 3.87Å; Y105-Y124 AromaticContact CD2-CG 3.59Å; Y105-Y124 HydrophobicContact CD2-CG 3.59Å; Y105-Y124 HydrophobicContact CE1-CD1 4.41Å; Y105-Y124 HydrophobicContact CE1-CE1 4.39Å; Y105-Y124 AromaticContact CE2-CD1 3.62Å; Y105-Y124 HydrophobicContact CE2-CD1 3.62Å; Y105-Y124 HydrophobicContact CE2-CE1 4.38Å; Y105-Y124 HydrophobicContact CE2-CG 4.31Å; Y105-Y124 AromaticContact CG-CD1 3.39Å; Y105-Y124 HydrophobicContact CG-CD1 3.39Å; Y105-Y124 AromaticContact CG-CE1 3.58Å; Y105-Y124 HydrophobicContact CG-CE1 3.58Å; Y105-Y124 AromaticContact CG-CG 3.95Å; Y105-Y124 HydrophobicContact CG-CG 3.95Å; F120-Y124 WeakPolarHBondContact O-CB 3.03Å; F120-Y124 PolarHBondContact O-N 3.45Å; Y124-S126 PolarHBondContact O-N 2.66Å; Y124-K127 PolarHBondContact O-N 2.82Å; Y124-C128 HydrophobicContact CD1-CB 3.93Å; Y124-C128 HydrophobicContact CE1-CB 3.59Å; Y124-C128 HydrophobicContact CE2-CB 4.28Å; Y124-C128 HydrophobicContact CG-CB 4.4Å; Y124-C128 WeakPolarHBondContact O-CB 3.31Å; Y124-C128 PolarHBondContact O-N 3.14Å; Y124-C128 PolarHBondContact O-SG 2.9Å
125A86.8Confident73.2Confident28 Ų2896.2 Ų96.223%0.23151%0.512CS..Hα-helixtrans-59.1-46.7178.800000112.1C121 K127 T129C121-A125 VanDerWaalsContact O-CB 3.24Å; C121-A125 WeakPolarHBondContact O-CB 3.28Å; C121-A125 PolarHBondContact O-N 3.46Å; A125-K127 VanDerWaalsContact C-N 3.3Å; A125-K127 PolarHBondContact O-N 3.16Å; A125-T129 HydrophobicContact CB-CG2 4.47Å; A125-T129 WeakPolarHBondContact O-CB 3.44Å; A125-T129 VanDerWaalsContact O-CG2 3.28Å; A125-T129 WeakPolarHBondContact O-CG2 3.43Å; A125-T129 PolarHBondContact O-N 3.47Å; A125-T129 PolarHBondContact O-OG1 2.87Å
126S87Confident71.3Confident82 Ų8299.2 Ų99.257%0.57352%0.519SS*.Hα-helixtrans-66-30.1-179.767.40000113.6R122 N123 Y124R122-S126 WeakPolarHBondContact O-CB 3.41Å; R122-S126 PolarHBondContact O-N 3.11Å; R122-S126 PolarHBondContact O-OG 3.03Å; N123-S126 PolarHBondContact O-OG 2.88Å; N123-S126 VanDerWaalsContact O-OG 3.11Å; Y124-S126 PolarHBondContact O-N 2.66Å
127K85.3Confident69.4Low92 Ų9299.7 Ų99.740%0.452%0.522SS..Hα-helixtrans-88.6-30.4178.2-68.6-173176.9-1670114.5Q94 Y97 N123 Y124 A125Q94-K127 PolarHBondContact NE2-O 2.77Å; Y97-K127 HydrophobicContact CD1-CB 4.5Å; Y97-K127 HydrophobicContact CD1-CD 4.35Å; Y97-K127 HydrophobicContact CE1-CB 4.33Å; Y97-K127 HydrophobicContact CE1-CD 4.11Å; N123-K127 WeakPolarHBondContact O-CB 3.32Å; N123-K127 WeakPolarHBondContact O-CG 3.27Å; N123-K127 PolarHBondContact O-N 3.38Å; N123-K127 VanDerWaalsContact O-N 3.16Å; N123-K127 VanDerWaalsContact OD1-CE 3.27Å; N123-K127 WeakPolarHBondContact OD1-CE 3.05Å; Y124-K127 PolarHBondContact O-N 2.82Å; A125-K127 VanDerWaalsContact C-N 3.3Å; A125-K127 PolarHBondContact O-N 3.16Å
128C87.3Confident67.3Low13 Ų13102.4 Ų102.49%0.08855%0.553CS.*Hα-helixtrans-112.4-5.3-165.9-580000115.2C98 Y124C98-C128 WeakPolarHBondContact CA-SG 3.43Å; C98-C128 HydrophobicContact CB-CB 3.82Å; C98-C128 WeakPolarHBondContact CB-SG 3.29Å; C98-C128 WeakPolarHBondContact SG-CA 3.3Å; C98-C128 WeakPolarHBondContact SG-CB 3.34Å; C98-C128 CovalentContact SG-SG 2.03Å; C98-C128 PolarHBondContact SG-SG 3.49Å; Y124-C128 HydrophobicContact CD1-CB 3.93Å; Y124-C128 HydrophobicContact CE1-CB 3.59Å; Y124-C128 HydrophobicContact CE2-CB 4.28Å; Y124-C128 HydrophobicContact CG-CB 4.4Å; Y124-C128 WeakPolarHBondContact O-CB 3.31Å; Y124-C128 PolarHBondContact O-N 3.14Å; Y124-C128 PolarHBondContact O-SG 2.9Å
129T71.4Confident65Low109 Ų109102.5 Ų102.567%0.66957%0.571SS**SBendtrans-90.1-0.8178.257.80000114.6A125A125-T129 HydrophobicContact CB-CG2 4.47Å; A125-T129 WeakPolarHBondContact O-CB 3.44Å; A125-T129 VanDerWaalsContact O-CG2 3.28Å; A125-T129 WeakPolarHBondContact O-CG2 3.43Å; A125-T129 PolarHBondContact O-N 3.47Å; A125-T129 PolarHBondContact O-OG1 2.87Å
130R51.7Low62.6Low209 Ų209101.8 Ų101.879%0.78958%0.58SS**SBendtrans-95.2118.4167.2-76.1-175.9171.9-178.2-2.2109.8
131S39.5Very low59.9Low123 Ų123103.9 Ų103.986%0.8661%0.606SS**  trans59.980.1165.5-50.60000116.1
132V45.1Very low57.4Low107 Ų107107.9 Ų107.965%0.64863%0.634SS**  trans-132.7112.3164.7-178.40000110
133D38.7Very low55.2Low156 Ų156106.9 Ų106.983%0.83464%0.637SS**  trans-62.8139.7168.9-66.9-81.6000111.3P135D133-P135 WeakPolarHBondContact O-CD 3.45Å
134R38.4Very low52.5Low227 Ų227107.4 Ų107.486%0.85765%0.652SS**  trans-70.1113.4-171.2178.6180-178.2167.5-1.5112.4
135P42.5Very low50.2Low111 Ų111112.9 Ų112.972%0.72168%0.682SS**  trans-76.7143.3164.9-7.227.4000109.7D133D133-P135 WeakPolarHBondContact O-CD 3.45Å
136T41.7Very low47.7Very low119 Ų119115.2 Ų115.273%0.7370%0.695SS**  trans-88138-172.7-37.60000112.5
137S41.6Very low45.4Very low114 Ų114114.7 Ų114.780%0.79769%0.69SS**  trans48.3120.6152.858.20000120.6
138G37.2Very low43.2Very low82 Ų82118.8 Ų118.885%0.84571%0.71SS**  trans176.2109.1158.200000115.9
139G35.4Very low41.1Very low71 Ų71123.2 Ų123.273%0.73273%0.732SS**  trans75.280.8148.700000119.8
140T36Very low39.8Very low142 Ų142122 Ų12287%0.87172%0.721SS**  trans16.5131.9136.550.40000122
141A33.7Very low39Very low96 Ų96120.4 Ų120.479%0.79372%0.72SS**  119.297.4128.700000118.7
142S38.6Very low38.7Very low97 Ų97117.9 Ų117.968%0.67871%0.706SS**  trans-162.3143.3130.9-96.10000114.7
143Q40.3Very low38.4Very low163 Ų163121.4 Ų121.476%0.76272%0.715SS**  trans45100.9150.7-53.2-161.852.200119.5
144A32.5Very low38.7Very low85 Ų85116.5 Ų116.570%0.70270%0.696SS**  trans-69.2129.1-179.100000114.5
145I43.4Very low39Very low145 Ų145109.6 Ų109.674%0.74468%0.679SS**SBendtrans-57.6132.5138.5-61.4173.3000106.3P147I145-P147 WeakPolarHBondContact O-CD 3.3Å
146P34.1Very low39.5Very low76 Ų76105.6 Ų105.649%0.49465%0.653SS.*  trans-55.3114.4-172.119.6-33000111.2Q148 I149P146-Q148 PolarHBondContact O-N 3.42Å; P146-I149 HydrophobicContact CG-CD1 4.05Å; P146-I149 HydrophobicContact CG-CG1 4.48Å; P146-I149 PolarHBondContact O-N 3.04Å
147P38.6Very low40.1Very low72 Ų72107 Ų10747%0.46865%0.651SS.*THydrogen-bonded Turntrans-69.6-5.5-166.926.9-35.3000113.2I145 I149 L150 K151I145-P147 WeakPolarHBondContact O-CD 3.3Å; P147-I149 VanDerWaalsContact C-N 3.31Å; P147-L150 CarbonylContact O-C 3.53Å; P147-K151 WeakPolarHBondContact O-CB 3.31Å; P147-K151 VanDerWaalsContact O-CG 3.28Å; P147-K151 WeakPolarHBondContact O-CG 3.27Å; P147-K151 PolarHBondContact O-N 3.31Å
148Q40.1Very low40.5Very low177 Ų177108 Ų10883%0.82766%0.655SS**THydrogen-bonded Turntrans-71.1-22.6175.6-59.1-178.46.200112.9P146P146-Q148 PolarHBondContact O-N 3.42Å
149I43.2Very low41.6Very low106 Ų106108 Ų10854%0.54466%0.655SS.*SBendtrans-82.3-25.9178.8-54.3-178.1000111.6P146 P147 F169P146-I149 HydrophobicContact CG-CD1 4.05Å; P146-I149 HydrophobicContact CG-CG1 4.48Å; P146-I149 PolarHBondContact O-N 3.04Å; P147-I149 VanDerWaalsContact C-N 3.31Å; I149-F169 HydrophobicContact CG2-CZ 4.38Å
150L44.4Very low43Very low84 Ų84108 Ų10844%0.4464%0.64SS.*SBendtrans-115.418.5176.9-94.774.8000113.2P147 Y188P147-L150 CarbonylContact O-C 3.53Å; L150-Y188 HydrophobicContact CD2-CD2 4.24Å; L150-Y188 HydrophobicContact CD2-CE1 4.28Å; L150-Y188 HydrophobicContact CD2-CE2 3.8Å; L150-Y188 HydrophobicContact CG-CD1 4.39Å; L150-Y188 HydrophobicContact CG-CE1 3.8Å; L150-Y188 HydrophobicContact CG-CE2 4.21Å; L150-Y188 PolarHBondContact O-OH 3.22Å
151K33.2Very low44.8Very low176 Ų176107.1 Ų107.177%0.76563%0.631SS**  trans-118.461.4166.5-75.4-170.1171.7-170.80111.6P147P147-K151 WeakPolarHBondContact O-CB 3.31Å; P147-K151 VanDerWaalsContact O-CG 3.28Å; P147-K151 WeakPolarHBondContact O-CG 3.27Å; P147-K151 PolarHBondContact O-N 3.31Å
152A34.9Very low46.9Very low69 Ų69105.1 Ų105.157%0.5761%0.608SS**SBendtrans-123.2140.1148.200000107.4A154A152-A154 PolarHBondContact O-N 3.38Å; A152-A154 VanDerWaalsContact O-N 3.16Å
153H37.7Very low49Very low181 Ų181104.9 Ų104.984%0.83861%0.607SS**  trans-58.8120.3156-70.2-88.1000106T155H153-T155 PolarHBondContact O-N 3.02Å; H153-T155 PolarHBondContact O-OG1 3.06Å
154A44.6Very low51Low53 Ų53102.5 Ų102.544%0.43860%0.598SS.*  trans-7736.7-162.700000114.6A152 V156A152-A154 PolarHBondContact O-N 3.38Å; A152-A154 VanDerWaalsContact O-N 3.16Å; A154-V156 VanDerWaalsContact C-N 3.29Å; A154-V156 PolarHBondContact O-N 2.89Å
155T46Very low53.4Low82 Ų82101.4 Ų101.450%0.50358%0.58SS.*  trans-65.19115845.70000108.6H153 Q157H153-T155 PolarHBondContact O-N 3.02Å; H153-T155 PolarHBondContact O-OG1 3.06Å; T155-Q157 PolarHBondContact O-N 2.03Å; T155-Q157 VanDerWaalsContact O-N 3.13Å
156V53.2Low55.6Low28 Ų2895.4 Ų95.417%0.1755%0.551CS.*  trans-53.9114.7171.2177.80000108.1A154 T160 L165 Y195A154-V156 VanDerWaalsContact C-N 3.29Å; A154-V156 PolarHBondContact O-N 2.89Å; V156-T160 VanDerWaalsContact CG1-OG1 3.27Å; V156-T160 WeakPolarHBondContact CG1-OG1 3.47Å; V156-L165 HydrophobicContact CG1-CD2 4.4Å; V156-L165 HydrophobicContact CG2-CD2 4.38Å; V156-Y195 HydrophobicContact CG2-CE2 4.47Å
157Q53.3Low58.3Low149 Ų14998.7 Ų98.770%0.69656%0.56SS**  trans-63.7133-176-74.8-169-8.200110.7T155 G159 T160T155-Q157 PolarHBondContact O-N 2.03Å; T155-Q157 VanDerWaalsContact O-N 3.13Å; Q157-G159 PolarHBondContact O-N 2.91Å; Q157-G159 VanDerWaalsContact O-N 3.08Å; Q157-T160 PolarHBondContact O-N 3.39Å; Q157-T160 PolarHBondContact O-OG1 3.43Å
158P50.8Low60.7Low135 Ų135103 Ų10388%0.87757%0.572SS**THydrogen-bonded Turntrans-64.8112.2177.127.2-33.4000109.2
159G59.1Low62.9Low81 Ų8197.9 Ų97.984%0.83555%0.547SS*.THydrogen-bonded Turntrans121.3-7.6-171.600000114.5Q157Q157-G159 PolarHBondContact O-N 2.91Å; Q157-G159 VanDerWaalsContact O-N 3.08Å
160T64.6Low65.2Low70 Ų70100.2 Ų100.243%0.42955%0.549SS..SBendtrans-79132.3165.1470000111V156 Q157 T162V156-T160 VanDerWaalsContact CG1-OG1 3.27Å; V156-T160 WeakPolarHBondContact CG1-OG1 3.47Å; Q157-T160 PolarHBondContact O-N 3.39Å; Q157-T160 PolarHBondContact O-OG1 3.43Å; T160-T162 PolarHBondContact O-N 2.86Å
161D74.6Confident67.4Low125 Ų125102.9 Ų102.967%0.66856%0.557SS**  trans-6598.8177.7-82.5-48.8000111.1S163 L164 L165D161-S163 PolarHBondContact O-N 2.9Å; D161-S163 VanDerWaalsContact O-N 3.17Å; D161-L164 HydrophobicContact CB-CB 4.17Å; D161-L164 PolarHBondContact O-N 2.75Å; D161-L164 VanDerWaalsContact O-N 3.17Å; D161-L165 PolarHBondContact O-N 3.12Å; D161-L165 VanDerWaalsContact O-N 3.12Å
162T77.8Confident70.1Confident53 Ų5397.5 Ų97.533%0.32554%0.539SS..Hα-helixtrans-59.3-31-178.652.80000111.8T160 L165 C166T160-T162 PolarHBondContact O-N 2.86Å; T162-L165 PolarHBondContact O-N 3.24Å; T162-C166 VanDerWaalsContact O-CB 3.24Å; T162-C166 WeakPolarHBondContact O-CB 3Å; T162-C166 PolarHBondContact O-N 2.91Å; T162-C166 PolarHBondContact O-SG 3.01Å
163S81.7Confident72.7Confident92 Ų9294.5 Ų94.564%0.64351%0.514SS*.Hα-helixtrans-59.7-51.3175.9-163.90000112.3D161 L165 C166 E167D161-S163 PolarHBondContact O-N 2.9Å; D161-S163 VanDerWaalsContact O-N 3.17Å; S163-L165 VanDerWaalsContact C-N 3.33Å; S163-L165 PolarHBondContact O-N 3.38Å; S163-C166 PolarHBondContact O-N 2.8Å; S163-E167 PolarHBondContact O-N 3.17Å
164L84.1Confident75.1Confident113 Ų11390.8 Ų90.859%0.59250%0.5SS*.Hα-helixtrans-65.2-37.3179.5-176.966000111.8D161 K168D161-L164 HydrophobicContact CB-CB 4.17Å; D161-L164 PolarHBondContact O-N 2.75Å; D161-L164 VanDerWaalsContact O-N 3.17Å; L164-K168 WeakPolarHBondContact O-CB 3.35Å; L164-K168 PolarHBondContact O-N 2.97Å
165L81.8Confident77.3Confident62 Ų6294.7 Ų94.733%0.32551%0.508SS..Hα-helixtrans-62-47.3173.4-16871.3000110.9V156 D161 T162 S163 K168 F169V156-L165 HydrophobicContact CG1-CD2 4.4Å; V156-L165 HydrophobicContact CG2-CD2 4.38Å; D161-L165 PolarHBondContact O-N 3.12Å; D161-L165 VanDerWaalsContact O-N 3.12Å; T162-L165 PolarHBondContact O-N 3.24Å; S163-L165 VanDerWaalsContact C-N 3.33Å; S163-L165 PolarHBondContact O-N 3.38Å; L165-K168 PolarHBondContact O-N 3.06Å; L165-F169 HydrophobicContact CD1-CD2 3.88Å; L165-F169 HydrophobicContact CD1-CE2 3.68Å; L165-F169 HydrophobicContact CG-CD2 4.1Å; L165-F169 HydrophobicContact CG-CE2 4.37Å; L165-F169 WeakPolarHBondContact O-CD2 3.13Å; L165-F169 PolarHBondContact O-N 3.26Å
166C90.6Very high79.2Confident20 Ų2095.1 Ų95.114%0.13551%0.505CS..Hα-helixtrans-66.5-37.9-179-69.60000113.1T162 S163 R170 Y192 C196T162-C166 VanDerWaalsContact O-CB 3.24Å; T162-C166 WeakPolarHBondContact O-CB 3Å; T162-C166 PolarHBondContact O-N 2.91Å; T162-C166 PolarHBondContact O-SG 3.01Å; S163-C166 PolarHBondContact O-N 2.8Å; C166-R170 WeakPolarHBondContact O-CB 3.18Å; C166-R170 PolarHBondContact O-N 3.41Å; C166-R170 VanDerWaalsContact O-N 3.09Å; C166-Y192 WeakPolarHBondContact O-CE2 3.41Å; C166-C196 WeakPolarHBondContact CA-SG 3.43Å; C166-C196 HydrophobicContact CB-CB 3.53Å; C166-C196 WeakPolarHBondContact CB-SG 3.17Å; C166-C196 WeakPolarHBondContact SG-CA 3.47Å; C166-C196 WeakPolarHBondContact SG-CB 3.18Å; C166-C196 CovalentContact SG-SG 2.02Å; C166-C196 PolarHBondContact SG-SG 3.22Å
167E90.2Very high80.9Confident145 Ų14595 Ų9568%0.67851%0.505SS*.Hα-helixtrans-63.5-50.8172-176.8170.3-150.900111.4S163 F169 R170S163-E167 PolarHBondContact O-N 3.17Å; E167-F169 VanDerWaalsContact C-N 3.29Å; E167-F169 PolarHBondContact O-N 3.29Å; E167-R170 VanDerWaalsContact O-CB 3.27Å; E167-R170 WeakPolarHBondContact O-CB 3.38Å; E167-R170 PolarHBondContact O-N 2.87Å; E167-R170 VanDerWaalsContact O-N 3.09Å
168K88.4Confident82.4Confident162 Ų16292.5 Ų92.570%0.70450%0.5SS*.Hα-helixtrans-59.4-36.5-179.6-175.5173.8-177.9175.30113.3L164 L165L164-K168 WeakPolarHBondContact O-CB 3.35Å; L164-K168 PolarHBondContact O-N 2.97Å; L165-K168 PolarHBondContact O-N 3.06Å
169F87.4Confident83.7Confident69 Ų6986.7 Ų86.730%0.30346%0.464SS..Hα-helixtrans-87-9.9178.4-81.7-79.7000114.3I149 L165 E167 F171 T172 A173 Y192I149-F169 HydrophobicContact CG2-CZ 4.38Å; L165-F169 HydrophobicContact CD1-CD2 3.88Å; L165-F169 HydrophobicContact CD1-CE2 3.68Å; L165-F169 HydrophobicContact CG-CD2 4.1Å; L165-F169 HydrophobicContact CG-CE2 4.37Å; L165-F169 WeakPolarHBondContact O-CD2 3.13Å; L165-F169 PolarHBondContact O-N 3.26Å; E167-F169 VanDerWaalsContact C-N 3.29Å; E167-F169 PolarHBondContact O-N 3.29Å; F169-F171 PolarHBondContact O-N 3Å; F169-T172 WeakPolarHBondContact O-CB 3.39Å; F169-T172 PolarHBondContact O-N 2.76Å; F169-A173 WeakPolarHBondContact O-CB 3.43Å; F169-A173 PolarHBondContact O-N 3.24Å; F169-Y192 HydrophobicContact CB-CD2 3.93Å; F169-Y192 HydrophobicContact CB-CE2 4.01Å
170R91.9Very high84.4Confident155 Ų15591.9 Ų91.959%0.58546%0.464SS*.Hα-helixtrans-54.3-56.4-174-177.9173.7-179.1164.72.9114C166 E167 T172 A173 D174 Y192C166-R170 WeakPolarHBondContact O-CB 3.18Å; C166-R170 PolarHBondContact O-N 3.41Å; C166-R170 VanDerWaalsContact O-N 3.09Å; E167-R170 VanDerWaalsContact O-CB 3.27Å; E167-R170 WeakPolarHBondContact O-CB 3.38Å; E167-R170 PolarHBondContact O-N 2.87Å; E167-R170 VanDerWaalsContact O-N 3.09Å; R170-T172 PolarHBondContact O-N 3.05Å; R170-A173 CarbonylContact O-C 3.6Å; R170-A173 PolarHBondContact O-N 2.98Å; R170-D174 WeakPolarHBondContact CG-OD2 3.02Å; R170-D174 IonicContact NE-OD2 3.7Å; R170-D174 WeakPolarHBondContact O-CB 3.33Å; R170-D174 PolarHBondContact O-N 3.09Å; R170-Y192 WeakPolarHBondContact CA-OH 3.47Å
171F89.7Confident85.2Confident141 Ų14189 Ų8962%0.61845%0.446SS*.Hα-helixtrans-62.9-30.2-177.6-176.4-109.2000113.2F169 K175F169-F171 PolarHBondContact O-N 3Å; F171-K175 HydrophobicContact CE1-CD 4.27Å; F171-K175 VanDerWaalsContact CE1-NZ 3.27Å; F171-K175 HydrophobicContact CZ-CD 4.4Å; F171-K175 VanDerWaalsContact CZ-CE 3.43Å; F171-K175 WeakPolarHBondContact O-CG 3.38Å; F171-K175 PolarHBondContact O-N 2.97Å
172T88.9Confident85.3Confident62 Ų6286.5 Ų86.538%0.3844%0.437SS..Hα-helixtrans-72.4-42.4174.2-560000110.8F169 R170 K175 M176F169-T172 WeakPolarHBondContact O-CB 3.39Å; F169-T172 PolarHBondContact O-N 2.76Å; R170-T172 PolarHBondContact O-N 3.05Å; T172-K175 PolarHBondContact O-N 3.43Å; T172-M176 HydrophobicContact CG2-CE 3.7Å; T172-M176 WeakPolarHBondContact O-CB 3.49Å; T172-M176 WeakPolarHBondContact O-CG 3.15Å; T172-M176 PolarHBondContact O-N 2.8Å
173A90Very high85Confident7 Ų789.5 Ų89.56%0.05845%0.447CS..Hα-helixtrans-69.5-43.717800000112.5F169 R170 K175 M176 C177 Y192F169-A173 WeakPolarHBondContact O-CB 3.43Å; F169-A173 PolarHBondContact O-N 3.24Å; R170-A173 CarbonylContact O-C 3.6Å; R170-A173 PolarHBondContact O-N 2.98Å; A173-K175 PolarHBondContact O-N 2.97Å; A173-K175 VanDerWaalsContact O-N 3.15Å; A173-M176 PolarHBondContact O-N 3.13Å; A173-C177 HydrophobicContact CB-CB 4.36Å; A173-C177 WeakPolarHBondContact O-CA 3.28Å; A173-C177 WeakPolarHBondContact O-CB 3.47Å; A173-C177 PolarHBondContact O-N 3.35Å; A173-Y192 HydrophobicContact CB-CD1 3.41Å; A173-Y192 VanDerWaalsContact CB-CD1 3.41Å; A173-Y192 HydrophobicContact CB-CD2 3.89Å; A173-Y192 HydrophobicContact CB-CE1 3.46Å; A173-Y192 VanDerWaalsContact CB-CE1 3.46Å; A173-Y192 HydrophobicContact CB-CE2 3.95Å; A173-Y192 HydrophobicContact CB-CG 3.64Å
174D89.2Confident84.8Confident102 Ų10291.7 Ų91.755%0.54545%0.447SS..Hα-helixtrans-60.2-26.4177.4-69.6-21.2000112.1R170R170-D174 WeakPolarHBondContact CG-OD2 3.02Å; R170-D174 IonicContact NE-OD2 3.7Å; R170-D174 WeakPolarHBondContact O-CB 3.33Å; R170-D174 PolarHBondContact O-N 3.09Å
175K89.4Confident84.8Confident136 Ų13687 Ų8759%0.59142%0.422SS*.Hα-helixtrans-89.2-42.9175.3-74.6-178.7173.4-176.80114.4F171 T172 A173F171-K175 HydrophobicContact CE1-CD 4.27Å; F171-K175 VanDerWaalsContact CE1-NZ 3.27Å; F171-K175 HydrophobicContact CZ-CD 4.4Å; F171-K175 VanDerWaalsContact CZ-CE 3.43Å; F171-K175 WeakPolarHBondContact O-CG 3.38Å; F171-K175 PolarHBondContact O-N 2.97Å; T172-K175 PolarHBondContact O-N 3.43Å; A173-K175 PolarHBondContact O-N 2.97Å; A173-K175 VanDerWaalsContact O-N 3.15Å
176M87.3Confident84.8Confident90 Ų9085.7 Ų85.744%0.44341%0.413SS..Hα-helixtrans-93.9-36.2-173.4-63.9-147.9-67.100113.3T172 A173 V178 E181 V185T172-M176 HydrophobicContact CG2-CE 3.7Å; T172-M176 WeakPolarHBondContact O-CB 3.49Å; T172-M176 WeakPolarHBondContact O-CG 3.15Å; T172-M176 PolarHBondContact O-N 2.8Å; A173-M176 PolarHBondContact O-N 3.13Å; M176-V178 PolarHBondContact O-N 2.78Å; M176-E181 WeakPolarHBondContact O-CG 3.32Å; M176-V185 HydrophobicContact CB-CG1 4.01Å; M176-V185 HydrophobicContact CE-CG1 3.83Å; M176-V185 HydrophobicContact SD-CG1 4.11Å; M176-V185 HydrophobicContact SD-CG2 4.44Å
177C89.2Confident84.2Confident26 Ų2690 Ų9018%0.17643%0.432CS..  trans-88.646.2-169.5-52.90000113.3A173 G179 E181 C189 R193A173-C177 HydrophobicContact CB-CB 4.36Å; A173-C177 WeakPolarHBondContact O-CA 3.28Å; A173-C177 WeakPolarHBondContact O-CB 3.47Å; A173-C177 PolarHBondContact O-N 3.35Å; C177-G179 PolarHBondContact O-N 3.38Å; C177-E181 WeakPolarHBondContact CA-OE1 3.37Å; C177-C189 WeakPolarHBondContact CA-SG 3.36Å; C177-C189 HydrophobicContact CB-CB 3.57Å; C177-C189 WeakPolarHBondContact CB-SG 3.21Å; C177-C189 WeakPolarHBondContact SG-CA 3.32Å; C177-C189 WeakPolarHBondContact SG-CB 3.24Å; C177-C189 CovalentContact SG-SG 2.03Å; C177-C189 PolarHBondContact SG-SG 3.24Å; C177-R193 PolarHBondContact O-NH2 2.93Å
178V84.4Confident83.9Confident96 Ų9687 Ų8758%0.58241%0.414SS*.SBendtrans-77.84.2-178.7-59.10000114.1M176M176-V178 PolarHBondContact O-N 2.78Å
179G77.2Confident83.9Confident13 Ų1379.3 Ų79.313%0.13438%0.381CS..SBendtrans91.2-14.418000000115.3C177 E181 R186C177-G179 PolarHBondContact O-N 3.38Å; G179-E181 VanDerWaalsContact C-OE2 3.22Å; G179-E181 WeakPolarHBondContact CA-OE1 3.35Å; G179-E181 PolarHBondContact N-OE1 3.03Å; G179-R186 PolarHBondContact O-NH2 3.16Å
180F74.8Confident83.8Confident191 Ų19176.6 Ų76.684%0.83837%0.37SS*.  trans-112.740.4177-61.2-79.9000111.8
181E81.2Confident83.5Confident10 Ų1071.3 Ų71.35%0.04736%0.355CS..  trans-74.6148.4-172.6-45.290.216500112.3M176 C177 G179 V185 R186 C189 R193M176-E181 WeakPolarHBondContact O-CG 3.32Å; C177-E181 WeakPolarHBondContact CA-OE1 3.37Å; G179-E181 VanDerWaalsContact C-OE2 3.22Å; G179-E181 WeakPolarHBondContact CA-OE1 3.35Å; G179-E181 PolarHBondContact N-OE1 3.03Å; E181-V185 HydrophobicContact CB-CB 4.4Å; E181-V185 HydrophobicContact CB-CG1 4.46Å; E181-R186 HydrophobicContact CB-CB 4.09Å; E181-R186 IonicContact OE2-CZ 3.52Å; E181-R186 IonicContact OE2-NE 2.8Å; E181-R186 PolarHBondContact OE2-NE 3.34Å; E181-R186 IonicContact OE2-NH2 3.38Å; E181-R186 PolarHBondContact OE2-NH2 3.1Å; E181-C189 HydrophobicContact CG-CB 4.39Å; E181-R193 IonicContact OE1-CZ 2.88Å; E181-R193 VanDerWaalsContact OE1-CZ 3.23Å; E181-R193 IonicContact OE1-NH1 3.96Å; E181-R193 PolarHBondContact OE1-NH1 3.49Å; E181-R193 IonicContact OE1-NH2 2.67Å; E181-R193 PolarHBondContact OE1-NH2 3.3Å; E181-R193 IonicContact OE2-NH1 3.51Å
182P75.9Confident83.4Confident72 Ų7265.7 Ų65.747%0.46833%0.33SS..  trans-62.7146.3165.929.3-34.6000110.1H184 V185 R186P182-H184 VanDerWaalsContact C-N 3.27Å; P182-H184 PolarHBondContact O-N 3.28Å; P182-H184 VanDerWaalsContact O-N 3.08Å; P182-V185 HydrophobicContact CG-CB 4.14Å; P182-V185 HydrophobicContact CG-CG2 3.87Å; P182-V185 PolarHBondContact O-N 2.8Å; P182-R186 PolarHBondContact O-N 2.99Å; P182-R186 VanDerWaalsContact O-N 3.16Å
183Q71.9Confident83.4Confident116 Ų11663.1 Ų63.154%0.54231%0.313SS..Hα-helixtrans-46-45.1-172.4174.3159.320.200114.3V185 R186 I204Q183-V185 VanDerWaalsContact C-N 3.27Å; Q183-V185 PolarHBondContact O-N 3.24Å; Q183-R186 PolarHBondContact O-N 2.97Å; Q183-I204 HydrophobicContact CB-CG2 4.14Å; Q183-I204 HydrophobicContact CG-CG2 3.61Å
184H77.7Confident83.2Confident137 Ų13764 Ų6463%0.63432%0.317SS*.Hα-helixtrans-69.8-15.9-178.867.1-93.3000114.9P182 Y188P182-H184 VanDerWaalsContact C-N 3.27Å; P182-H184 PolarHBondContact O-N 3.28Å; P182-H184 VanDerWaalsContact O-N 3.08Å; H184-Y188 WeakPolarHBondContact O-CD2 3.44Å; H184-Y188 VanDerWaalsContact O-CE2 3.32Å; H184-Y188 WeakPolarHBondContact O-CE2 3.21Å
185V83.4Confident83Confident14 Ų1460.9 Ų60.99%0.08530%0.297CS..Hα-helixtrans-96.4-29.8174.3177.80000111.1M176 E181 P182 Q183 E187 Y188 C189M176-V185 HydrophobicContact CB-CG1 4.01Å; M176-V185 HydrophobicContact CE-CG1 3.83Å; M176-V185 HydrophobicContact SD-CG1 4.11Å; M176-V185 HydrophobicContact SD-CG2 4.44Å; E181-V185 HydrophobicContact CB-CB 4.4Å; E181-V185 HydrophobicContact CB-CG1 4.46Å; P182-V185 HydrophobicContact CG-CB 4.14Å; P182-V185 HydrophobicContact CG-CG2 3.87Å; P182-V185 PolarHBondContact O-N 2.8Å; Q183-V185 VanDerWaalsContact C-N 3.27Å; Q183-V185 PolarHBondContact O-N 3.24Å; V185-E187 VanDerWaalsContact C-N 3.29Å; V185-E187 PolarHBondContact O-N 2.9Å; V185-Y188 WeakPolarHBondContact O-CB 3.44Å; V185-Y188 PolarHBondContact O-N 3.49Å; V185-Y188 VanDerWaalsContact O-N 3.12Å; V185-C189 PolarHBondContact O-N 2.85Å
186R81.3Confident83.1Confident35 Ų3556 Ų5613%0.13228%0.28CS..Hα-helixtrans-64-30.4-172.2-170.4172.7-90.9167.4-7113.7G179 E181 P182 Q183 C189 N190 P203 I204G179-R186 PolarHBondContact O-NH2 3.16Å; E181-R186 HydrophobicContact CB-CB 4.09Å; E181-R186 IonicContact OE2-CZ 3.52Å; E181-R186 IonicContact OE2-NE 2.8Å; E181-R186 PolarHBondContact OE2-NE 3.34Å; E181-R186 IonicContact OE2-NH2 3.38Å; E181-R186 PolarHBondContact OE2-NH2 3.1Å; P182-R186 PolarHBondContact O-N 2.99Å; P182-R186 VanDerWaalsContact O-N 3.16Å; Q183-R186 PolarHBondContact O-N 2.97Å; R186-C189 PolarHBondContact O-N 3.43Å; R186-N190 WeakPolarHBondContact O-CB 3.32Å; R186-N190 VanDerWaalsContact O-CG 3.3Å; R186-N190 PolarHBondContact O-N 3.48Å; R186-P203 PolarHBondContact NH1-O 3.13Å; R186-P203 VanDerWaalsContact NH1-O 3.09Å; R186-I204 HydrophobicContact CB-CG1 4.07Å; R186-I204 VanDerWaalsContact CD-CA 3.46Å; R186-I204 HydrophobicContact CG-CG1 3.81Å; R186-I204 PolarHBondContact NH1-O 3.29Å
187E79.9Confident83.2Confident111 Ų11155.2 Ų55.252%0.51928%0.277SS..Hα-helixtrans-57.3-51.9171.6-68.1177.4-165.600111.3V185 C189 N190 V191 I204V185-E187 VanDerWaalsContact C-N 3.29Å; V185-E187 PolarHBondContact O-N 2.9Å; E187-C189 VanDerWaalsContact C-N 3.34Å; E187-C189 PolarHBondContact O-N 3.08Å; E187-N190 PolarHBondContact O-N 3.03Å; E187-N190 VanDerWaalsContact O-N 3.16Å; E187-V191 WeakPolarHBondContact O-CG2 3.44Å; E187-V191 PolarHBondContact O-N 3.4Å; E187-I204 HydrophobicContact CG-CD1 3.8Å
188Y82.7Confident82.9Confident81 Ų8160.2 Ų60.232%0.31830%0.302SS..Hα-helixtrans-62.1-38.8175.7-57.6-83000112.5L150 H184 V185 N190 V191 Y192L150-Y188 HydrophobicContact CD2-CD2 4.24Å; L150-Y188 HydrophobicContact CD2-CE1 4.28Å; L150-Y188 HydrophobicContact CD2-CE2 3.8Å; L150-Y188 HydrophobicContact CG-CD1 4.39Å; L150-Y188 HydrophobicContact CG-CE1 3.8Å; L150-Y188 HydrophobicContact CG-CE2 4.21Å; L150-Y188 PolarHBondContact O-OH 3.22Å; H184-Y188 WeakPolarHBondContact O-CD2 3.44Å; H184-Y188 VanDerWaalsContact O-CE2 3.32Å; H184-Y188 WeakPolarHBondContact O-CE2 3.21Å; V185-Y188 WeakPolarHBondContact O-CB 3.44Å; V185-Y188 PolarHBondContact O-N 3.49Å; V185-Y188 VanDerWaalsContact O-N 3.12Å; Y188-N190 VanDerWaalsContact C-N 3.33Å; Y188-N190 PolarHBondContact O-N 3Å; Y188-V191 PolarHBondContact O-N 3.16Å; Y188-Y192 PolarHBondContact O-N 2.74Å
189C89.3Confident83Confident1 Ų159.8 Ų59.81%0.00729%0.294CS..Hα-helixtrans-67.5-32.2175.1-70.80000113.5C177 E181 V185 R186 E187 Y192 R193C177-C189 WeakPolarHBondContact CA-SG 3.36Å; C177-C189 HydrophobicContact CB-CB 3.57Å; C177-C189 WeakPolarHBondContact CB-SG 3.21Å; C177-C189 WeakPolarHBondContact SG-CA 3.32Å; C177-C189 WeakPolarHBondContact SG-CB 3.24Å; C177-C189 CovalentContact SG-SG 2.03Å; C177-C189 PolarHBondContact SG-SG 3.24Å; E181-C189 HydrophobicContact CG-CB 4.39Å; V185-C189 PolarHBondContact O-N 2.85Å; R186-C189 PolarHBondContact O-N 3.43Å; E187-C189 VanDerWaalsContact C-N 3.34Å; E187-C189 PolarHBondContact O-N 3.08Å; C189-Y192 PolarHBondContact O-N 2.8Å; C189-R193 WeakPolarHBondContact O-CB 3.43Å; C189-R193 VanDerWaalsContact O-CG 3.29Å; C189-R193 WeakPolarHBondContact O-CG 3.46Å; C189-R193 PolarHBondContact O-N 3.08Å
190N84.8Confident82.9Confident13 Ų1365.3 Ų65.37%0.0731%0.314CS..Hα-helixtrans-73.6-38.8174.2-78.3-14.1000111.4R186 E187 Y188 R193 I194 P201 Y202R186-N190 WeakPolarHBondContact O-CB 3.32Å; R186-N190 VanDerWaalsContact O-CG 3.3Å; R186-N190 PolarHBondContact O-N 3.48Å; E187-N190 PolarHBondContact O-N 3.03Å; E187-N190 VanDerWaalsContact O-N 3.16Å; Y188-N190 VanDerWaalsContact C-N 3.33Å; Y188-N190 PolarHBondContact O-N 3Å; N190-R193 PolarHBondContact O-N 2.87Å; N190-R193 PolarHBondContact OD1-NH1 3.15Å; N190-I194 VanDerWaalsContact O-CB 3.32Å; N190-I194 WeakPolarHBondContact O-CB 3.31Å; N190-I194 WeakPolarHBondContact O-CD1 2.97Å; N190-I194 WeakPolarHBondContact O-CG1 3.21Å; N190-I194 PolarHBondContact O-N 3.2Å; N190-P201 HydrophobicContact CB-CB 3.73Å; N190-P201 VanDerWaalsContact CG-CB 3.43Å; N190-P201 WeakPolarHBondContact OD1-CA 3.34Å; N190-Y202 PolarHBondContact ND2-O 3.4Å; N190-Y202 PolarHBondContact OD1-N 3.25Å; N190-Y202 PolarHBondContact OD1-O 2.98Å
191V84.8Confident82.8Confident43 Ų4357.6 Ų57.626%0.26128%0.283SS..Hα-helixtrans-56.7-49.8166.9172.10000110.1E187 Y188 R193 I194 Y195E187-V191 WeakPolarHBondContact O-CG2 3.44Å; E187-V191 PolarHBondContact O-N 3.4Å; Y188-V191 PolarHBondContact O-N 3.16Å; V191-R193 PolarHBondContact O-N 3.38Å; V191-I194 PolarHBondContact O-N 3.02Å; V191-Y195 HydrophobicContact CG1-CD2 3.73Å; V191-Y195 HydrophobicContact CG1-CE2 4.12Å; V191-Y195 VanDerWaalsContact O-CD2 3.3Å; V191-Y195 WeakPolarHBondContact O-CD2 3.33Å; V191-Y195 PolarHBondContact O-N 3.27Å
192Y88.7Confident82.4Confident24 Ų2462.4 Ų62.49%0.09430%0.302CS..Hα-helixtrans-60.6-45.3178.2-172.3-93.5000112.7C166 F169 R170 A173 Y188 C189 I194 C196 L197C166-Y192 WeakPolarHBondContact O-CE2 3.41Å; F169-Y192 HydrophobicContact CB-CD2 3.93Å; F169-Y192 HydrophobicContact CB-CE2 4.01Å; R170-Y192 WeakPolarHBondContact CA-OH 3.47Å; A173-Y192 HydrophobicContact CB-CD1 3.41Å; A173-Y192 VanDerWaalsContact CB-CD1 3.41Å; A173-Y192 HydrophobicContact CB-CD2 3.89Å; A173-Y192 HydrophobicContact CB-CE1 3.46Å; A173-Y192 VanDerWaalsContact CB-CE1 3.46Å; A173-Y192 HydrophobicContact CB-CE2 3.95Å; A173-Y192 HydrophobicContact CB-CG 3.64Å; Y188-Y192 PolarHBondContact O-N 2.74Å; C189-Y192 PolarHBondContact O-N 2.8Å; Y192-I194 VanDerWaalsContact C-N 3.34Å; Y192-I194 PolarHBondContact O-N 3.35Å; Y192-C196 HydrophobicContact CD1-CB 4.3Å; Y192-C196 HydrophobicContact CD2-CB 3.89Å; Y192-C196 WeakPolarHBondContact CD2-SG 3.29Å; Y192-C196 HydrophobicContact CE1-CB 4.1Å; Y192-C196 HydrophobicContact CE2-CB 3.66Å; Y192-C196 VanDerWaalsContact CE2-SG 3.54Å; Y192-C196 HydrophobicContact CG-CB 4.19Å; Y192-C196 WeakPolarHBondContact O-CA 3.39Å; Y192-C196 WeakPolarHBondContact O-CB 3.47Å; Y192-C196 PolarHBondContact O-N 3.32Å; Y192-L197 HydrophobicContact CD1-CD1 4.07Å; Y192-L197 HydrophobicContact CD1-CG 4.11Å; Y192-L197 HydrophobicContact CE1-CD1 3.91Å; Y192-L197 HydrophobicContact CE1-CD2 3.93Å; Y192-L197 HydrophobicContact CE1-CG 3.78Å; Y192-L197 PolarHBondContact O-N 3.4Å
193R89Confident81.9Confident7 Ų760.8 Ų60.83%0.02629%0.291CS..Hα-helixtrans-56.4-47.5175-79.4170.8-176.9114.714.1112.5C177 E181 C189 N190 V191 L197 N198 Q199 Y202C177-R193 PolarHBondContact O-NH2 2.93Å; E181-R193 IonicContact OE1-CZ 2.88Å; E181-R193 VanDerWaalsContact OE1-CZ 3.23Å; E181-R193 IonicContact OE1-NH1 3.96Å; E181-R193 PolarHBondContact OE1-NH1 3.49Å; E181-R193 IonicContact OE1-NH2 2.67Å; E181-R193 PolarHBondContact OE1-NH2 3.3Å; E181-R193 IonicContact OE2-NH1 3.51Å; C189-R193 WeakPolarHBondContact O-CB 3.43Å; C189-R193 VanDerWaalsContact O-CG 3.29Å; C189-R193 WeakPolarHBondContact O-CG 3.46Å; C189-R193 PolarHBondContact O-N 3.08Å; N190-R193 PolarHBondContact O-N 2.87Å; N190-R193 PolarHBondContact OD1-NH1 3.15Å; V191-R193 PolarHBondContact O-N 3.38Å; R193-L197 HydrophobicContact CG-CD1 4.33Å; R193-L197 CarbonylContact O-C 3.48Å; R193-L197 PolarHBondContact O-N 3.37Å; R193-N198 PolarHBondContact O-N 3.23Å; R193-Q199 CarbonylContact C-O 3.46Å; R193-Q199 HydrophobicContact CB-CB 4.05Å; R193-Q199 HydrophobicContact CG-CB 4.3Å; R193-Q199 PolarHBondContact O-N 2.79Å; R193-Y202 VanDerWaalsContact CZ-CE2 3.42Å
194I84.7Confident81.4Confident27 Ų2756.8 Ų56.814%0.13827%0.273CS..Hα-helixtrans-63.2-60.2-179.9-74.3168.1000110N190 V191 Y192 P201 W306N190-I194 VanDerWaalsContact O-CB 3.32Å; N190-I194 WeakPolarHBondContact O-CB 3.31Å; N190-I194 WeakPolarHBondContact O-CD1 2.97Å; N190-I194 WeakPolarHBondContact O-CG1 3.21Å; N190-I194 PolarHBondContact O-N 3.2Å; V191-I194 PolarHBondContact O-N 3.02Å; Y192-I194 VanDerWaalsContact C-N 3.34Å; Y192-I194 PolarHBondContact O-N 3.35Å; I194-P201 HydrophobicContact CD1-CB 4.22Å; I194-P201 HydrophobicContact CD1-CG 4.15Å; I194-W306 HydrophobicContact CB-CH2 4.36Å; I194-W306 HydrophobicContact CB-CZ3 4.07Å; I194-W306 HydrophobicContact CG1-CH2 4.08Å; I194-W306 HydrophobicContact CG1-CZ3 4.27Å; I194-W306 HydrophobicContact CG2-CE3 3.76Å; I194-W306 HydrophobicContact CG2-CH2 4.28Å; I194-W306 HydrophobicContact CG2-CZ3 3.63Å; I194-W306 WeakPolarHBondContact O-CZ3 3.45Å
195Y86.2Confident80.8Confident35 Ų3553 Ų5314%0.13726%0.259CS..Hα-helixtrans-80.9-26.6-168.9-71.7-82.5000114.6V156 V191 R310V156-Y195 HydrophobicContact CG2-CE2 4.47Å; V191-Y195 HydrophobicContact CG1-CD2 3.73Å; V191-Y195 HydrophobicContact CG1-CE2 4.12Å; V191-Y195 VanDerWaalsContact O-CD2 3.3Å; V191-Y195 WeakPolarHBondContact O-CD2 3.33Å; V191-Y195 PolarHBondContact O-N 3.27Å; Y195-R310 HydrophobicContact CE1-CG 3.82Å; Y195-R310 WeakPolarHBondContact OH-CG 3.24Å
196C91.4Very high80Confident34 Ų3457.2 Ų57.223%0.2328%0.282CS..Hα-helixtrans-112.1-31.2-170.8-530000114.3C166 Y192C166-C196 WeakPolarHBondContact CA-SG 3.43Å; C166-C196 HydrophobicContact CB-CB 3.53Å; C166-C196 WeakPolarHBondContact CB-SG 3.17Å; C166-C196 WeakPolarHBondContact SG-CA 3.47Å; C166-C196 WeakPolarHBondContact SG-CB 3.18Å; C166-C196 CovalentContact SG-SG 2.02Å; C166-C196 PolarHBondContact SG-SG 3.22Å; Y192-C196 HydrophobicContact CD1-CB 4.3Å; Y192-C196 HydrophobicContact CD2-CB 3.89Å; Y192-C196 WeakPolarHBondContact CD2-SG 3.29Å; Y192-C196 HydrophobicContact CE1-CB 4.1Å; Y192-C196 HydrophobicContact CE2-CB 3.66Å; Y192-C196 VanDerWaalsContact CE2-SG 3.54Å; Y192-C196 HydrophobicContact CG-CB 4.19Å; Y192-C196 WeakPolarHBondContact O-CA 3.39Å; Y192-C196 WeakPolarHBondContact O-CB 3.47Å; Y192-C196 PolarHBondContact O-N 3.32Å
197L88.3Confident79.6Confident74 Ų7456.4 Ų56.439%0.38729%0.285SS..Hα-helixtrans-108.1-7.6-177.9-54.1179.8000113.2Y192 R193 Q199Y192-L197 HydrophobicContact CD1-CD1 4.07Å; Y192-L197 HydrophobicContact CD1-CG 4.11Å; Y192-L197 HydrophobicContact CE1-CD1 3.91Å; Y192-L197 HydrophobicContact CE1-CD2 3.93Å; Y192-L197 HydrophobicContact CE1-CG 3.78Å; Y192-L197 PolarHBondContact O-N 3.4Å; R193-L197 HydrophobicContact CG-CD1 4.33Å; R193-L197 CarbonylContact O-C 3.48Å; R193-L197 PolarHBondContact O-N 3.37Å; L197-Q199 HydrophobicContact CB-CB 4.1Å; L197-Q199 HydrophobicContact CB-CG 3.74Å; L197-Q199 PolarHBondContact O-N 3.41Å; L197-Q199 VanDerWaalsContact O-N 3.12Å
198N83.9Confident79.7Confident131 Ų13157 Ų5770%0.70129%0.291SS*.  trans49.928.2-166.9-65.3-65.2000113.2R193R193-N198 PolarHBondContact O-N 3.23Å
199Q85.2Confident79.8Confident86 Ų8657.3 Ų57.340%0.40230%0.297SS..PPolyproline II helixtrans-92149.8179.5-72.9179.212.200110.7R193 L197R193-Q199 CarbonylContact C-O 3.46Å; R193-Q199 HydrophobicContact CB-CB 4.05Å; R193-Q199 HydrophobicContact CG-CB 4.3Å; R193-Q199 PolarHBondContact O-N 2.79Å; L197-Q199 HydrophobicContact CB-CB 4.1Å; L197-Q199 HydrophobicContact CB-CG 3.74Å; L197-Q199 PolarHBondContact O-N 3.41Å; L197-Q199 VanDerWaalsContact O-N 3.12Å
200K76Confident79.7Confident130 Ų13060.1 Ų60.157%0.56533%0.327SS*.PPolyproline II helixtrans-67.5141.2173.3-67.6174.9-178.9173.90109.6A301K200-A301 HydrophobicContact CD-CB 4.43Å
201P73.7Confident79.8Confident29 Ų2963.1 Ų63.119%0.18835%0.345CS..PPolyproline II helixtrans-63.314617628.4-36.2000110.8N190 I194N190-P201 HydrophobicContact CB-CB 3.73Å; N190-P201 VanDerWaalsContact CG-CB 3.43Å; N190-P201 WeakPolarHBondContact OD1-CA 3.34Å; I194-P201 HydrophobicContact CD1-CB 4.22Å; I194-P201 HydrophobicContact CD1-CG 4.15Å
202Y71.7Confident79.8Confident110 Ų11064.8 Ų64.843%0.43136%0.356SS..PPolyproline II helixtrans-84.7140.6169.5-66.1-35.5000110N190 R193 I204N190-Y202 PolarHBondContact ND2-O 3.4Å; N190-Y202 PolarHBondContact OD1-N 3.25Å; N190-Y202 PolarHBondContact OD1-O 2.98Å; R193-Y202 VanDerWaalsContact CZ-CE2 3.42Å; Y202-I204 PolarHBondContact O-N 3.16Å
203P64.9Low79.8Confident39 Ų3965.7 Ų65.725%0.25336%0.364SS..PPolyproline II helixtrans-63.6130.4177.526.4-32.6000111R186 V205 D206 D244R186-P203 PolarHBondContact NH1-O 3.13Å; R186-P203 VanDerWaalsContact NH1-O 3.09Å; P203-V205 VanDerWaalsContact C-N 3.35Å; P203-D206 WeakPolarHBondContact CG-OD2 3.09Å; P203-D244 HydrophobicContact CB-CB 4.23Å
204I61.8Low79.7Confident31 Ų3169 Ų6916%0.15938%0.382CS..SBendtrans-60.2-42.9169.9-61163.1000110.8Q183 R186 E187 Y202 D244Q183-I204 HydrophobicContact CB-CG2 4.14Å; Q183-I204 HydrophobicContact CG-CG2 3.61Å; R186-I204 HydrophobicContact CB-CG1 4.07Å; R186-I204 VanDerWaalsContact CD-CA 3.46Å; R186-I204 HydrophobicContact CG-CG1 3.81Å; R186-I204 PolarHBondContact NH1-O 3.29Å; E187-I204 HydrophobicContact CG-CD1 3.8Å; Y202-I204 PolarHBondContact O-N 3.16Å; I204-D244 VanDerWaalsContact CA-OD1 3.29Å; I204-D244 WeakPolarHBondContact CA-OD1 3.35Å; I204-D244 VanDerWaalsContact CB-OD1 3.26Å; I204-D244 WeakPolarHBondContact CB-OD1 3.46Å; I204-D244 WeakPolarHBondContact CB-OD2 3.28Å; I204-D244 WeakPolarHBondContact CD1-OD2 3.15Å; I204-D244 WeakPolarHBondContact CG1-OD2 3.16Å; I204-D244 PolarHBondContact N-OD1 3.39Å; I204-D244 PolarHBondContact N-OD2 3.39Å
205V64.6Low79.8Confident57 Ų5771.3 Ų71.335%0.34541%0.405SS..  trans-137.6139.9168.1-173.40000110.8P203 Y242 G243 D244P203-V205 VanDerWaalsContact C-N 3.35Å; V205-Y242 HydrophobicContact CG1-CE2 3.94Å; V205-G243 WeakPolarHBondContact O-CA 3.38Å; V205-D244 PolarHBondContact N-OD1 2.93Å; V205-D244 PolarHBondContact O-N 3.15Å
206D67.4Low79.9Confident103 Ų10376.1 Ų76.155%0.55142%0.423SS*.EExtended strand (participates in β ladder)trans-117.8113157.9-92.4-39.1000107.8P203 W245P203-D206 WeakPolarHBondContact CG-OD2 3.09Å; D206-W245 PolarHBondContact OD1-NE1 3.22Å
207G73.5Confident79.8Confident19 Ų1977.1 Ų77.120%0.19644%0.44CS..EExtended strand (participates in β ladder)trans-131152.1-17700000112.7G241 Y242G207-G241 CarbonylContact O-C 3.57Å; G207-G241 WeakPolarHBondContact O-CA 3.22Å; G207-Y242 PolarHBondContact N-O 2.91Å; G207-Y242 PolarHBondContact O-N 2.81Å; G207-Y242 VanDerWaalsContact O-O 3.11Å
208N82Confident79.5Confident123 Ų12377.5 Ų77.566%0.65845%0.445SS*.EExtended strand (participates in β ladder)trans-148.4109.1175.1-17820.9000111.2V240N208-V240 WeakPolarHBondContact CA-O 3.49Å
209I84.6Confident79.4Confident87 Ų8775.9 Ų75.945%0.44644%0.444SS..EExtended strand (participates in β ladder)trans-95.3105.2177-67.9163.5000108.8V211 G239 V240 Y242I209-V211 HydrophobicContact CG2-CG2 4.05Å; I209-G239 WeakPolarHBondContact O-CA 3.22Å; I209-V240 PolarHBondContact N-O 3.5Å; I209-V240 PolarHBondContact O-N 2.9Å; I209-Y242 HydrophobicContact CD1-CE1 3.77Å; I209-Y242 HydrophobicContact CG1-CE1 4.01Å
210G86.4Confident79Confident60 Ų6074.4 Ų74.462%0.61945%0.452SS*.EExtended strand (participates in β ladder)trans-95.999.917800000112.9
211V86.5Confident78.8Confident76 Ų7670.9 Ų70.946%0.46144%0.438SS..EExtended strand (participates in β ladder)trans-94.4120.4174.1-172.70000109.7I209 T213 V238I209-V211 HydrophobicContact CG2-CG2 4.05Å; V211-T213 HydrophobicContact CG1-CG2 3.98Å; V211-V238 PolarHBondContact N-O 3.16Å; V211-V238 PolarHBondContact O-N 3.04Å
212T86.6Confident78.3Confident78 Ų7874.7 Ų74.748%0.47946%0.463SS..EExtended strand (participates in β ladder)trans-97.9131.1171.6-53.30000110.1A215 R237T212-A215 HydrophobicContact CG2-CB 3.97Å; T212-R237 HydrophobicContact CG2-CG 4.01Å
213T87.4Confident78Confident44 Ų4476.1 Ų76.127%0.2747%0.472SS..EExtended strand (participates in β ladder)trans-129.7146.3-175.4630000110.2V211 A215 R236V211-T213 HydrophobicContact CG1-CG2 3.98Å; T213-A215 PolarHBondContact O-N 3.32Å; T213-R236 PolarHBondContact N-O 3.5Å; T213-R236 PolarHBondContact O-N 3.23Å; T213-R236 VanDerWaalsContact O-O 3.11Å; T213-R236 PolarHBondContact OG1-O 3.48Å
214N88.4Confident78Confident77 Ų7777.9 Ų77.941%0.41247%0.474SS..EExtended strand (participates in β ladder)trans53.236-175.3-40.5-86.1000112.1G235 R461N214-G235 VanDerWaalsContact O-CA 3.26Å; N214-G235 WeakPolarHBondContact O-CA 3.41Å; N214-R461 VanDerWaalsContact OD1-CZ 3.32Å; N214-R461 PolarHBondContact OD1-NH1 2.03Å; N214-R461 PolarHBondContact OD1-NH2 3.24Å
215A86.3Confident78.2Confident75 Ų7582.4 Ų82.462%0.6251%0.505SS*.EExtended strand (participates in β ladder)trans-66.6131.9173.300000109.4T212 T213 G234T212-A215 HydrophobicContact CG2-CB 3.97Å; T213-A215 PolarHBondContact O-N 3.32Å; A215-G234 WeakPolarHBondContact CA-O 3Å
216W88.6Confident78.5Confident135 Ų13584.4 Ų84.451%0.51151%0.509SS..EExtended strand (participates in β ladder)trans-138.915717158.5-94.8000108.6I232 G233 G234 V255W216-I232 HydrophobicContact CH2-CG2 4.29Å; W216-I232 HydrophobicContact CZ3-CG2 4.19Å; W216-G233 CarbonylContact O-C 3.46Å; W216-G233 VanDerWaalsContact O-CA 3.25Å; W216-G233 WeakPolarHBondContact O-CA 3.37Å; W216-G234 VanDerWaalsContact CE2-CA 3.48Å; W216-G234 PolarHBondContact N-O 2.99Å; W216-G234 PolarHBondContact O-N 2.7Å; W216-G234 VanDerWaalsContact O-O 3.13Å; W216-V255 HydrophobicContact CH2-CG1 3.97Å; W216-V255 HydrophobicContact CH2-CG2 4.25Å; W216-V255 HydrophobicContact CZ2-CG1 4.44Å; W216-V255 HydrophobicContact CZ2-CG2 3.98Å
217G87.7Confident78.5Confident56 Ų5680.4 Ų80.458%0.57749%0.488SS*.EExtended strand (participates in β ladder)trans-162.6151.3173.400000112.8I232G217-I232 CarbonylContact C-O 3.49Å; G217-I232 WeakPolarHBondContact CA-O 3.45Å
218V82.7Confident78.1Confident82 Ų8284.7 Ų84.750%0.49751%0.513SS..EExtended strand (participates in β ladder)trans-125.6120.6174.3-176.70000107I221 A231 I232V218-I221 HydrophobicContact CB-CD1 4.27Å; V218-I221 HydrophobicContact CG1-CD1 4.03Å; V218-I221 HydrophobicContact CG1-CG1 3.96Å; V218-A231 CarbonylContact O-C 3.56Å; V218-A231 WeakPolarHBondContact O-CA 3.26Å; V218-I232 PolarHBondContact N-O 3.27Å; V218-I232 PolarHBondContact O-N 2.87Å
219S82.2Confident77.5Confident97 Ų9784.8 Ų84.868%0.67851%0.509SS*.  trans-108.9156.2179.253.90000111.1G230S219-G230 CarbonylContact C-O 3.57Å; S219-G230 WeakPolarHBondContact CA-O 3.29Å
220G75.5Confident77Confident55 Ų5581 Ų8157%0.56749%0.491SS*.  trans80.319.517700000114.6P222 Q229 G230G220-P222 WeakPolarHBondContact O-CD 3.34Å; G220-Q229 PolarHBondContact N-O 3.3Å; G220-G230 PolarHBondContact N-O 2.71Å; G220-G230 VanDerWaalsContact N-O 3.13Å
221I72.9Confident76.6Confident56 Ų5679.5 Ų79.529%0.28747%0.473SS..  trans-69.2112.6171.6-56.1171.2000108.3V218 F223 Y224 G230 I232V218-I221 HydrophobicContact CB-CD1 4.27Å; V218-I221 HydrophobicContact CG1-CD1 4.03Å; V218-I221 HydrophobicContact CG1-CG1 3.96Å; I221-F223 VanDerWaalsContact C-N 3.26Å; I221-F223 PolarHBondContact O-N 3.31Å; I221-Y224 HydrophobicContact CB-CD2 4.17Å; I221-Y224 HydrophobicContact CB-CE2 4.32Å; I221-Y224 HydrophobicContact CD1-CE2 4.39Å; I221-Y224 HydrophobicContact CG2-CD2 3.91Å; I221-Y224 HydrophobicContact CG2-CE2 3.78Å; I221-G230 PolarHBondContact N-O 3.39Å; I221-G230 WeakPolarHBondContact O-CA 3.37Å; I221-I232 HydrophobicContact CD1-CB 4.42Å; I221-I232 HydrophobicContact CD1-CD1 3.72Å; I221-I232 HydrophobicContact CD1-CG1 3.93Å
222P62.8Low76.4Confident108 Ų10877 Ų7770%0.70146%0.457SS*.THydrogen-bonded Turntrans-74.91.7-158.4-20.934.3000117.4G220G220-P222 WeakPolarHBondContact O-CD 3.34Å
223F65Low76.4Confident141 Ų14174.8 Ų74.862%0.61845%0.449SS*.THydrogen-bonded Turntrans-134.444.5-165.6-68.1-73.9000114.6I221 L396I221-F223 VanDerWaalsContact C-N 3.26Å; I221-F223 PolarHBondContact O-N 3.31Å; F223-L396 HydrophobicContact CE2-CD1 3.93Å; F223-L396 HydrophobicContact CE2-CD2 3.94Å; F223-L396 HydrophobicContact CE2-CG 4.08Å; F223-L396 HydrophobicContact CZ-CD1 4.02Å; F223-L396 HydrophobicContact CZ-CD2 4.01Å; F223-L396 HydrophobicContact CZ-CG 4.43Å
224Y65.8Low76.5Confident75 Ų7573.1 Ų73.129%0.29444%0.441SS..  trans-109.1104.4171.9-85.8-68.5000113.4I221 F226 N227 I232 F258I221-Y224 HydrophobicContact CB-CD2 4.17Å; I221-Y224 HydrophobicContact CB-CE2 4.32Å; I221-Y224 HydrophobicContact CD1-CE2 4.39Å; I221-Y224 HydrophobicContact CG2-CD2 3.91Å; I221-Y224 HydrophobicContact CG2-CE2 3.78Å; Y224-F226 HydrophobicContact CD1-CD2 4.36Å; Y224-F226 HydrophobicContact CD1-CE1 4.07Å; Y224-F226 AromaticContact CD1-CE2 3.52Å; Y224-F226 HydrophobicContact CD1-CE2 3.52Å; Y224-F226 AromaticContact CD1-CZ 3.36Å; Y224-F226 HydrophobicContact CD1-CZ 3.36Å; Y224-F226 HydrophobicContact CE1-CE1 4.48Å; Y224-F226 HydrophobicContact CE1-CE2 4.1Å; Y224-F226 AromaticContact CE1-CZ 3.65Å; Y224-F226 HydrophobicContact CE1-CZ 3.65Å; Y224-F226 HydrophobicContact CG-CE2 4.37Å; Y224-F226 PolarHBondContact O-N 3.28Å; Y224-F226 VanDerWaalsContact O-N 3.13Å; Y224-N227 CarbonylContact O-C 3.55Å; Y224-N227 PolarHBondContact O-N 2.79Å; Y224-I232 HydrophobicContact CE2-CD1 3.68Å; Y224-I232 HydrophobicContact CE2-CG1 4.34Å; Y224-F258 HydrophobicContact CD1-CZ 4.41Å; Y224-F258 HydrophobicContact CE1-CE1 4.21Å; Y224-F258 AromaticContact CE1-CZ 3.59Å; Y224-F258 HydrophobicContact CE1-CZ 3.59Å; Y224-F258 AromaticContact CZ-CZ 3.82Å
225P66.6Low76.7Confident126 Ų12670.1 Ų70.182%0.81843%0.428SS*.THydrogen-bonded Turntrans-68-16.1-174.527.6-35.1000113.9
226F69.5Low77Confident99 Ų9971 Ų7143%0.43442%0.415SS..THydrogen-bonded Turntrans-109.5-9.9179.449.5-108.9000114.2Y224 F258 L284Y224-F226 HydrophobicContact CD1-CD2 4.36Å; Y224-F226 HydrophobicContact CD1-CE1 4.07Å; Y224-F226 AromaticContact CD1-CE2 3.52Å; Y224-F226 HydrophobicContact CD1-CE2 3.52Å; Y224-F226 AromaticContact CD1-CZ 3.36Å; Y224-F226 HydrophobicContact CD1-CZ 3.36Å; Y224-F226 HydrophobicContact CE1-CE1 4.48Å; Y224-F226 HydrophobicContact CE1-CE2 4.1Å; Y224-F226 AromaticContact CE1-CZ 3.65Å; Y224-F226 HydrophobicContact CE1-CZ 3.65Å; Y224-F226 HydrophobicContact CG-CE2 4.37Å; Y224-F226 PolarHBondContact O-N 3.28Å; Y224-F226 VanDerWaalsContact O-N 3.13Å; F226-F258 HydrophobicContact CE2-CZ 4.26Å; F226-F258 HydrophobicContact CZ-CE1 4.1Å; F226-F258 HydrophobicContact CZ-CZ 4.1Å; F226-L284 HydrophobicContact CB-CD2 4.16Å; F226-L284 HydrophobicContact CD1-CD2 3.91Å; F226-L284 HydrophobicContact CD2-CD1 4.33Å; F226-L284 HydrophobicContact CD2-CD2 3.34Å; F226-L284 HydrophobicContact CD2-CG 4.44Å; F226-L284 HydrophobicContact CE1-CD1 4.24Å; F226-L284 HydrophobicContact CE1-CD2 4.07Å; F226-L284 HydrophobicContact CE2-CD1 3.62Å; F226-L284 HydrophobicContact CE2-CD2 3.53Å; F226-L284 HydrophobicContact CE2-CG 4.2Å; F226-L284 HydrophobicContact CG-CD2 3.53Å; F226-L284 HydrophobicContact CZ-CD1 3.55Å; F226-L284 HydrophobicContact CZ-CD2 3.88Å; F226-L284 HydrophobicContact CZ-CG 4.38Å
227N68.9Low77Confident19 Ų1972 Ų7210%0.10242%0.419CS..  trans-128.786.9-179.8-177.1-37.4000108.6Y224 Q229 G230 A231 D257Y224-N227 CarbonylContact O-C 3.55Å; Y224-N227 PolarHBondContact O-N 2.79Å; N227-Q229 PolarHBondContact O-N 3.39Å; N227-Q229 PolarHBondContact OD1-N 3.34Å; N227-G230 PolarHBondContact O-N 3.34Å; N227-G230 PolarHBondContact OD1-N 2.81Å; N227-A231 PolarHBondContact ND2-O 3.26Å; N227-A231 PolarHBondContact OD1-N 3.18Å; N227-A231 VanDerWaalsContact OD1-N 3.12Å; N227-D257 PolarHBondContact ND2-OD2 2.97Å
228P64.9Low77.1Confident110 Ų11070.6 Ų70.671%0.71440%0.399SS*.THydrogen-bonded Turntrans-72.32.6-175.230.7-36.9000113.9
229Q68.9Low77.4Confident125 Ų12567 Ų6758%0.58438%0.379SS*.THydrogen-bonded Turntrans-93.9-6.5168.9-64-178.9-22.300111.6G220 N227 A231G220-Q229 PolarHBondContact N-O 3.3Å; N227-Q229 PolarHBondContact O-N 3.39Å; N227-Q229 PolarHBondContact OD1-N 3.34Å; Q229-A231 HydrophobicContact CB-CB 3.8Å; Q229-A231 PolarHBondContact O-N 2.86Å
230G73.6Confident77.7Confident6 Ų665 Ų656%0.06236%0.362CS..  trans55.930.3-173.900000112.3S219 G220 I221 N227S219-G230 CarbonylContact C-O 3.57Å; S219-G230 WeakPolarHBondContact CA-O 3.29Å; G220-G230 PolarHBondContact N-O 2.71Å; G220-G230 VanDerWaalsContact N-O 3.13Å; I221-G230 PolarHBondContact N-O 3.39Å; I221-G230 WeakPolarHBondContact O-CA 3.37Å; N227-G230 PolarHBondContact O-N 3.34Å; N227-G230 PolarHBondContact OD1-N 2.81Å
231A77.9Confident78.1Confident29 Ų2962.9 Ų62.924%0.2434%0.34CS..  trans-11298-160.800000112.3V218 N227 Q229V218-A231 CarbonylContact O-C 3.56Å; V218-A231 WeakPolarHBondContact O-CA 3.26Å; N227-A231 PolarHBondContact ND2-O 3.26Å; N227-A231 PolarHBondContact OD1-N 3.18Å; N227-A231 VanDerWaalsContact OD1-N 3.12Å; Q229-A231 HydrophobicContact CB-CB 3.8Å; Q229-A231 PolarHBondContact O-N 2.86Å
232I83.2Confident78.5Confident24 Ų2465.1 Ų65.112%0.12335%0.346CS..EExtended strand (participates in β ladder)trans-95.5118.4172.5-56.8-179.3000108.7W216 G217 V218 I221 Y224 V255 F258W216-I232 HydrophobicContact CH2-CG2 4.29Å; W216-I232 HydrophobicContact CZ3-CG2 4.19Å; G217-I232 CarbonylContact C-O 3.49Å; G217-I232 WeakPolarHBondContact CA-O 3.45Å; V218-I232 PolarHBondContact N-O 3.27Å; V218-I232 PolarHBondContact O-N 2.87Å; I221-I232 HydrophobicContact CD1-CB 4.42Å; I221-I232 HydrophobicContact CD1-CD1 3.72Å; I221-I232 HydrophobicContact CD1-CG1 3.93Å; Y224-I232 HydrophobicContact CE2-CD1 3.68Å; Y224-I232 HydrophobicContact CE2-CG1 4.34Å; I232-V255 HydrophobicContact CG2-CG1 3.38Å; I232-F258 HydrophobicContact CD1-CE2 3.7Å; I232-F258 HydrophobicContact CD1-CZ 4.17Å; I232-F258 HydrophobicContact CG1-CE2 3.94Å; I232-F258 HydrophobicContact CG2-CD2 4.46Å; I232-F258 HydrophobicContact CG2-CE2 4.25Å
233G85.3Confident79.1Confident31 Ų3160.8 Ų60.832%0.3232%0.321SS..EExtended strand (participates in β ladder)trans-123.9123.4177.900000112.6W216 S256W216-G233 CarbonylContact O-C 3.46Å; W216-G233 VanDerWaalsContact O-CA 3.25Å; W216-G233 WeakPolarHBondContact O-CA 3.37Å; G233-S256 PolarHBondContact N-OG 2.91Å; G233-S256 WeakPolarHBondContact O-CB 3.15Å; G233-S256 PolarHBondContact O-N 3.27Å; G233-S256 PolarHBondContact O-OG 3.35Å
234G90.5Very high79.1Confident9 Ų956.2 Ų56.29%0.09330%0.303CS..EExtended strand (participates in β ladder)trans-112.2167.6175.100000113.7A215 W216 G254A215-G234 WeakPolarHBondContact CA-O 3Å; W216-G234 VanDerWaalsContact CE2-CA 3.48Å; W216-G234 PolarHBondContact N-O 2.99Å; W216-G234 PolarHBondContact O-N 2.7Å; W216-G234 VanDerWaalsContact O-O 3.13Å; G234-G254 CarbonylContact C-O 3.43Å; G234-G254 WeakPolarHBondContact CA-O 3.45Å
235G91.4Very high79.4Confident14 Ų1455 Ų5514%0.14430%0.298CS..EExtended strand (participates in β ladder)trans158.8-169.8172.700000114.6N214 K253 G254N214-G235 VanDerWaalsContact O-CA 3.26Å; N214-G235 WeakPolarHBondContact O-CA 3.41Å; G235-K253 WeakPolarHBondContact O-CA 3.45Å; G235-G254 PolarHBondContact N-O 2.93Å; G235-G254 PolarHBondContact O-N 3.02Å
236R92.5Very high80Confident93 Ų9349.8 Ų49.835%0.35127%0.267SS..EExtended strand (participates in β ladder)trans-118.1111.9177.1168.9-177.2156.8178.8-7.8110.1T213 V238 Q252T213-R236 PolarHBondContact N-O 3.5Å; T213-R236 PolarHBondContact O-N 3.23Å; T213-R236 VanDerWaalsContact O-O 3.11Å; T213-R236 PolarHBondContact OG1-O 3.48Å; R236-V238 HydrophobicContact CG-CG2 4.29Å; R236-Q252 CarbonylContact C-O 3.37Å; R236-Q252 VanDerWaalsContact CA-O 3.23Å; R236-Q252 WeakPolarHBondContact CA-O 3.16Å
237R88.6Confident80.7Confident157 Ų15747.2 Ų47.259%0.59226%0.264SS*.EExtended strand (participates in β ladder)trans-93134.1173.5-61.9176.8-179.2169.32109.5T212 T251 Q252T212-R237 HydrophobicContact CG2-CG 4.01Å; R237-T251 CarbonylContact O-C 3.58Å; R237-T251 WeakPolarHBondContact O-CA 3.44Å; R237-Q252 HydrophobicContact CB-CB 4.32Å; R237-Q252 PolarHBondContact N-O 3.16Å; R237-Q252 PolarHBondContact O-N 2.91Å
238V90.9Very high81.5Confident27 Ų2751.8 Ų51.816%0.16428%0.28CS..EExtended strand (participates in β ladder)trans-122110174-179.70000107.5V211 R236 T250 T251V211-V238 PolarHBondContact N-O 3.16Å; V211-V238 PolarHBondContact O-N 3.04Å; R236-V238 HydrophobicContact CG-CG2 4.29Å; V238-T250 CarbonylContact C-O 3.59Å; V238-T250 VanDerWaalsContact CA-O 3.32Å; V238-T250 WeakPolarHBondContact CA-O 3.35Å; V238-T251 HydrophobicContact CG1-CG2 4.23Å; V238-T251 HydrophobicContact CG2-CG2 4.2Å
239G88.8Confident82.6Confident6 Ų648.9 Ų48.96%0.06226%0.26CS..EExtended strand (participates in β ladder)trans-104.411617700000110.3I209 T250I209-G239 WeakPolarHBondContact O-CA 3.22Å; G239-T250 WeakPolarHBondContact CA-OG1 3.41Å; G239-T250 PolarHBondContact N-O 2.92Å; G239-T250 PolarHBondContact N-OG1 2.85Å; G239-T250 PolarHBondContact O-N 3.02Å; G239-T250 PolarHBondContact O-OG1 3.48Å
240V89.1Confident83.6Confident56 Ų5643.9 Ų43.934%0.33924%0.238SC..EExtended strand (participates in β ladder)trans-97.492.2169-176.50000107.6N208 I209N208-V240 WeakPolarHBondContact CA-O 3.49Å; I209-V240 PolarHBondContact N-O 3.5Å; I209-V240 PolarHBondContact O-N 2.9Å
241G84.2Confident84.5Confident10 Ų1045.7 Ų45.710%0.10325%0.248CC..EExtended strand (participates in β ladder)trans-74.3132.9163.600000109.6G207 R248G207-G241 CarbonylContact O-C 3.57Å; G207-G241 WeakPolarHBondContact O-CA 3.22Å; G241-R248 PolarHBondContact N-O 3.47Å; G241-R248 PolarHBondContact O-N 3.49Å
242Y81.4Confident85Confident102 Ų10247.7 Ų47.740%0.425%0.252SS..EExtended strand (participates in β ladder)trans-143.2145.6175.361.9-86.6000109.8V205 G207 I209V205-Y242 HydrophobicContact CG1-CE2 3.94Å; G207-Y242 PolarHBondContact N-O 2.91Å; G207-Y242 PolarHBondContact O-N 2.81Å; G207-Y242 VanDerWaalsContact O-O 3.11Å; I209-Y242 HydrophobicContact CD1-CE1 3.77Å; I209-Y242 HydrophobicContact CG1-CE1 4.01Å
243G74.9Confident85.5Confident17 Ų1752.7 Ų52.718%0.17527%0.273CS..EExtended strand (participates in β ladder)trans-173.1-175.4170.700000110.5V205 W245 G246V205-G243 WeakPolarHBondContact O-CA 3.38Å; G243-W245 VanDerWaalsContact C-N 3.27Å; G243-W245 PolarHBondContact O-N 2.9Å; G243-G246 PolarHBondContact N-O 2.91Å; G243-G246 CarbonylContact O-C 3.47Å; G243-G246 WeakPolarHBondContact O-CA 3.31Å; G243-G246 PolarHBondContact O-N 2.82Å; G243-G246 VanDerWaalsContact O-O 3.05Å
244D65.3Low85.8Confident46 Ų4652 Ų5225%0.24627%0.265CS..THydrogen-bonded Turntrans-53.8-46.7-177.6-70.942.7000112.5P203 I204 V205 G246 W269P203-D244 HydrophobicContact CB-CB 4.23Å; I204-D244 VanDerWaalsContact CA-OD1 3.29Å; I204-D244 WeakPolarHBondContact CA-OD1 3.35Å; I204-D244 VanDerWaalsContact CB-OD1 3.26Å; I204-D244 WeakPolarHBondContact CB-OD1 3.46Å; I204-D244 WeakPolarHBondContact CB-OD2 3.28Å; I204-D244 WeakPolarHBondContact CD1-OD2 3.15Å; I204-D244 WeakPolarHBondContact CG1-OD2 3.16Å; I204-D244 PolarHBondContact N-OD1 3.39Å; I204-D244 PolarHBondContact N-OD2 3.39Å; V205-D244 PolarHBondContact N-OD1 2.93Å; V205-D244 PolarHBondContact O-N 3.15Å; D244-G246 PolarHBondContact O-N 3.13Å; D244-W269 WeakPolarHBondContact O-CZ2 3.05Å; D244-W269 PolarHBondContact O-NE1 3.19Å
245W71.6Confident85.7Confident49 Ų4953.5 Ų53.519%0.18627%0.273CS..THydrogen-bonded Turntrans-61.9-9.4178.750.1-100.3000113.3D206 G243 R248 N268 W269 Q270D206-W245 PolarHBondContact OD1-NE1 3.22Å; G243-W245 VanDerWaalsContact C-N 3.27Å; G243-W245 PolarHBondContact O-N 2.9Å; W245-R248 HydrophobicContact CH2-CB 4.28Å; W245-R248 HydrophobicContact CZ3-CB 4.29Å; W245-N268 VanDerWaalsContact CD2-ND2 3.31Å; W245-N268 HydrophobicContact CE3-CB 3.79Å; W245-N268 VanDerWaalsContact CE3-CG 3.47Å; W245-N268 HydrophobicContact CZ3-CB 4.19Å; W245-N268 CarbonylContact O-C 3.59Å; W245-N268 WeakPolarHBondContact O-CA 3.38Å; W245-W269 PolarHBondContact O-N 3.48Å; W245-Q270 HydrophobicContact CB-CB 3.58Å; W245-Q270 HydrophobicContact CB-CG 4.48Å
246G79.7Confident85.3Confident17 Ų1754.6 Ų54.618%0.17528%0.279CS..EExtended strand (participates in β ladder)trans123-156.4171.800000113.5G243 D244 A267G243-G246 PolarHBondContact N-O 2.91Å; G243-G246 CarbonylContact O-C 3.47Å; G243-G246 WeakPolarHBondContact O-CA 3.31Å; G243-G246 PolarHBondContact O-N 2.82Å; G243-G246 VanDerWaalsContact O-O 3.05Å; D244-G246 PolarHBondContact O-N 3.13Å; G246-A267 VanDerWaalsContact CA-O 3.32Å; G246-A267 WeakPolarHBondContact CA-O 3.46Å
247A83.2Confident84.6Confident45 Ų4552.5 Ų52.537%0.37227%0.274SS..EExtended strand (participates in β ladder)trans-110150.4-172.100000112.9A267A247-A267 PolarHBondContact N-O 3.12Å; A247-A267 VanDerWaalsContact N-O 3.16Å; A247-A267 PolarHBondContact O-N 3.27Å
248R85.8Confident84.5Confident115 Ų11548.3 Ų48.343%0.43426%0.26SS..EExtended strand (participates in β ladder)trans-139.5103.5171.3-177.7179.8177-155.2-2.7110.3G241 W245 T250 V264 V265G241-R248 PolarHBondContact N-O 3.47Å; G241-R248 PolarHBondContact O-N 3.49Å; W245-R248 HydrophobicContact CH2-CB 4.28Å; W245-R248 HydrophobicContact CZ3-CB 4.29Å; R248-T250 HydrophobicContact CG-CG2 4.18Å; R248-V264 HydrophobicContact CG-CG1 3.84Å; R248-V265 WeakPolarHBondContact CA-O 3.16Å
249V88.6Confident84.4Confident48 Ų4851.3 Ų51.329%0.29127%0.269SS..EExtended strand (participates in β ladder)trans-92.9110.8173.4-177.60000109.2T251 V264 V265V249-T251 HydrophobicContact CG1-CG2 4.44Å; V249-V264 CarbonylContact O-C 3.57Å; V249-V264 WeakPolarHBondContact O-CA 3.37Å; V249-V265 PolarHBondContact N-O 2.82Å; V249-V265 PolarHBondContact O-N 3.06Å
250T89.9Confident84.5Confident20 Ų2052.9 Ų52.912%0.12328%0.276CS..EExtended strand (participates in β ladder)trans-95.8139.3169.172.30000110V238 G239 R248 K263 V264V238-T250 CarbonylContact C-O 3.59Å; V238-T250 VanDerWaalsContact CA-O 3.32Å; V238-T250 WeakPolarHBondContact CA-O 3.35Å; G239-T250 WeakPolarHBondContact CA-OG1 3.41Å; G239-T250 PolarHBondContact N-O 2.92Å; G239-T250 PolarHBondContact N-OG1 2.85Å; G239-T250 PolarHBondContact O-N 3.02Å; G239-T250 PolarHBondContact O-OG1 3.48Å; R248-T250 HydrophobicContact CG-CG2 4.18Å; T250-K263 CarbonylContact C-O 3.54Å; T250-K263 WeakPolarHBondContact CA-O 2.94Å; T250-V264 HydrophobicContact CG2-CG1 4.24Å; T250-V264 HydrophobicContact CG2-CG2 4.1Å
251T91.1Very high84.5Confident45 Ų4555.1 Ų55.128%0.27628%0.283SS..EExtended strand (participates in β ladder)trans-132.8104.4166.463.20000108R237 V238 V249 G262 K263R237-T251 CarbonylContact O-C 3.58Å; R237-T251 WeakPolarHBondContact O-CA 3.44Å; V238-T251 HydrophobicContact CG1-CG2 4.23Å; V238-T251 HydrophobicContact CG2-CG2 4.2Å; V249-T251 HydrophobicContact CG1-CG2 4.44Å; T251-G262 WeakPolarHBondContact O-CA 3.46Å; T251-K263 PolarHBondContact N-O 3.02Å; T251-K263 PolarHBondContact O-N 2.94Å
252Q89.8Confident84.8Confident71 Ų7154.9 Ų54.933%0.33228%0.28SS..EExtended strand (participates in β ladder)trans-100.4141.9176-75.1171.2-73.100109.5R236 R237 D260 Q261R236-Q252 CarbonylContact C-O 3.37Å; R236-Q252 VanDerWaalsContact CA-O 3.23Å; R236-Q252 WeakPolarHBondContact CA-O 3.16Å; R237-Q252 HydrophobicContact CB-CB 4.32Å; R237-Q252 PolarHBondContact N-O 3.16Å; R237-Q252 PolarHBondContact O-N 2.91Å; Q252-D260 WeakPolarHBondContact CB-OD1 3.42Å; Q252-D260 WeakPolarHBondContact CG-OD2 3.31Å; Q252-D260 PolarHBondContact NE2-OD2 3.06Å; Q252-Q261 CarbonylContact C-O 3.56Å; Q252-Q261 WeakPolarHBondContact CA-O 3.29Å
253K92.6Very high85.3Confident129 Ų12953.4 Ų53.456%0.56128%0.276SS*.EExtended strand (participates in β ladder)trans-133124.9167.3-177.4-166.7173.8-169.80107.5G235 W259 D260 Q261G235-K253 WeakPolarHBondContact O-CA 3.45Å; K253-W259 VanDerWaalsContact O-CZ3 3.24Å; K253-W259 WeakPolarHBondContact O-CZ3 3.21Å; K253-D260 PolarHBondContact N-OD1 3.13Å; K253-Q261 PolarHBondContact N-O 2.8Å; K253-Q261 PolarHBondContact O-N 2.8Å
254G91.1Very high85.9Confident15 Ų1553.2 Ų53.216%0.15527%0.271CS..EExtended strand (participates in β ladder)trans-154.3175.9-17600000114.7G234 G235 W259G234-G254 CarbonylContact C-O 3.43Å; G234-G254 WeakPolarHBondContact CA-O 3.45Å; G235-G254 PolarHBondContact N-O 2.93Å; G235-G254 PolarHBondContact O-N 3.02Å; G254-W259 CarbonylContact C-O 3.53Å; G254-W259 WeakPolarHBondContact CA-O 3.41Å
255V90.1Very high86.9Confident42 Ų4253.7 Ų53.726%0.25528%0.276SS..EExtended strand (participates in β ladder)trans-119.2128161.3-173.90000105.5W216 I232 D257 F258 W259W216-V255 HydrophobicContact CH2-CG1 3.97Å; W216-V255 HydrophobicContact CH2-CG2 4.25Å; W216-V255 HydrophobicContact CZ2-CG1 4.44Å; W216-V255 HydrophobicContact CZ2-CG2 3.98Å; I232-V255 HydrophobicContact CG2-CG1 3.38Å; V255-D257 PolarHBondContact O-N 2.94Å; V255-F258 HydrophobicContact CG1-CD2 4.03Å; V255-F258 PolarHBondContact O-N 3.38Å; V255-W259 PolarHBondContact N-O 2.95Å; V255-W259 PolarHBondContact O-N 2.83Å
256S82.7Confident87.6Confident37 Ų3752.7 Ų52.726%0.25927%0.274SS..THydrogen-bonded Turntrans-49.4140.5-178.561.80000110.7G233 F258G233-S256 PolarHBondContact N-OG 2.91Å; G233-S256 WeakPolarHBondContact O-CB 3.15Å; G233-S256 PolarHBondContact O-N 3.27Å; G233-S256 PolarHBondContact O-OG 3.35Å; S256-F258 WeakPolarHBondContact O-CD2 3.34Å; S256-F258 PolarHBondContact O-N 3.24Å
257D77.8Confident87.8Confident49 Ų4953.9 Ų53.926%0.26228%0.282SS..THydrogen-bonded Turntrans69.5-43.9177.1-40.7-30.5000113.9N227 V255 P283 L284N227-D257 PolarHBondContact ND2-OD2 2.97Å; V255-D257 PolarHBondContact O-N 2.94Å; D257-P283 WeakPolarHBondContact O-CB 3.5Å; D257-P283 VanDerWaalsContact O-CD 3.24Å; D257-P283 WeakPolarHBondContact O-CD 3.32Å; D257-L284 HydrophobicContact CB-CD1 3.75Å; D257-L284 HydrophobicContact CB-CD2 4.14Å; D257-L284 HydrophobicContact CB-CG 3.71Å; D257-L284 WeakPolarHBondContact O-CB 3.45Å; D257-L284 WeakPolarHBondContact O-CD1 3.42Å; D257-L284 WeakPolarHBondContact O-CG 3.38Å; D257-L284 PolarHBondContact O-N 3Å
258F85.8Confident87.6Confident68 Ų6852.3 Ų52.330%0.29827%0.267SS..THydrogen-bonded Turntrans-82.1-42.8-174.6-58.3-79.5000115.5Y224 F226 I232 V255 S256 V282 L284Y224-F258 HydrophobicContact CD1-CZ 4.41Å; Y224-F258 HydrophobicContact CE1-CE1 4.21Å; Y224-F258 AromaticContact CE1-CZ 3.59Å; Y224-F258 HydrophobicContact CE1-CZ 3.59Å; Y224-F258 AromaticContact CZ-CZ 3.82Å; F226-F258 HydrophobicContact CE2-CZ 4.26Å; F226-F258 HydrophobicContact CZ-CE1 4.1Å; F226-F258 HydrophobicContact CZ-CZ 4.1Å; I232-F258 HydrophobicContact CD1-CE2 3.7Å; I232-F258 HydrophobicContact CD1-CZ 4.17Å; I232-F258 HydrophobicContact CG1-CE2 3.94Å; I232-F258 HydrophobicContact CG2-CD2 4.46Å; I232-F258 HydrophobicContact CG2-CE2 4.25Å; V255-F258 HydrophobicContact CG1-CD2 4.03Å; V255-F258 PolarHBondContact O-N 3.38Å; S256-F258 WeakPolarHBondContact O-CD2 3.34Å; S256-F258 PolarHBondContact O-N 3.24Å; F258-V282 WeakPolarHBondContact O-CA 3.24Å; F258-V282 VanDerWaalsContact O-CG1 3.31Å; F258-V282 WeakPolarHBondContact O-CG1 3.38Å; F258-V282 WeakPolarHBondContact O-CG2 3.49Å; F258-L284 HydrophobicContact CD1-CD1 3.76Å; F258-L284 HydrophobicContact CE1-CD1 3.82Å; F258-L284 HydrophobicContact CG-CD1 4.28Å; F258-L284 HydrophobicContact CZ-CD1 4.36Å
259W89.4Confident87Confident90 Ų9050.9 Ų50.934%0.34126%0.262SS..EExtended strand (participates in β ladder)trans-163.1131-169.6-177.580.4000112.5K253 G254 V255 Q261 G281K253-W259 VanDerWaalsContact O-CZ3 3.24Å; K253-W259 WeakPolarHBondContact O-CZ3 3.21Å; G254-W259 CarbonylContact C-O 3.53Å; G254-W259 WeakPolarHBondContact CA-O 3.41Å; V255-W259 PolarHBondContact N-O 2.95Å; V255-W259 PolarHBondContact O-N 2.83Å; W259-Q261 HydrophobicContact CH2-CB 3.46Å; W259-Q261 VanDerWaalsContact CH2-CB 3.46Å; W259-Q261 HydrophobicContact CH2-CG 4.35Å; W259-Q261 HydrophobicContact CZ2-CB 3.46Å; W259-Q261 VanDerWaalsContact CZ2-CB 3.46Å; W259-Q261 HydrophobicContact CZ2-CG 4.22Å; W259-Q261 HydrophobicContact CZ3-CB 4.13Å; W259-G281 WeakPolarHBondContact CA-O 3.48Å
260D89.6Confident86Confident40 Ų4050.6 Ų50.621%0.21426%0.257CS..EExtended strand (participates in β ladder)trans-130143.7164.8-176.737.1000110.6Q252 K253 W280 G281Q252-D260 WeakPolarHBondContact CB-OD1 3.42Å; Q252-D260 WeakPolarHBondContact CG-OD2 3.31Å; Q252-D260 PolarHBondContact NE2-OD2 3.06Å; K253-D260 PolarHBondContact N-OD1 3.13Å; D260-W280 CarbonylContact O-C 3.46Å; D260-W280 WeakPolarHBondContact O-CA 3.48Å; D260-G281 PolarHBondContact N-O 3.3Å; D260-G281 PolarHBondContact O-N 3Å
261Q90.9Very high84.9Confident103 Ų10357.7 Ų57.748%0.48128%0.282SS..EExtended strand (participates in β ladder)trans-127.6112.7173.4-177.2179.553.600109.9Q252 K253 W259 G279Q252-Q261 CarbonylContact C-O 3.56Å; Q252-Q261 WeakPolarHBondContact CA-O 3.29Å; K253-Q261 PolarHBondContact N-O 2.8Å; K253-Q261 PolarHBondContact O-N 2.8Å; W259-Q261 HydrophobicContact CH2-CB 3.46Å; W259-Q261 VanDerWaalsContact CH2-CB 3.46Å; W259-Q261 HydrophobicContact CH2-CG 4.35Å; W259-Q261 HydrophobicContact CZ2-CB 3.46Å; W259-Q261 VanDerWaalsContact CZ2-CB 3.46Å; W259-Q261 HydrophobicContact CZ2-CG 4.22Å; W259-Q261 HydrophobicContact CZ3-CB 4.13Å; Q261-G279 CarbonylContact C-O 3.56Å; Q261-G279 WeakPolarHBondContact CA-O 3.32Å
262G90.6Very high84.1Confident4 Ų455.6 Ų55.64%0.04127%0.269CS..EExtended strand (participates in β ladder)trans-103.4137.1-179.900000112.9T251 R278 G279T251-G262 WeakPolarHBondContact O-CA 3.46Å; G262-R278 CarbonylContact O-C 3.39Å; G262-R278 VanDerWaalsContact O-CA 3.31Å; G262-R278 WeakPolarHBondContact O-CA 3.2Å; G262-G279 PolarHBondContact N-O 2.83Å; G262-G279 PolarHBondContact O-N 2.87Å
263K90.6Very high83.5Confident72 Ų7254.4 Ų54.431%0.31326%0.264SS..EExtended strand (participates in β ladder)trans-105.2140.2149.6175.5-172.8175.6-167.20107.8T250 T251 A277 R278T250-K263 CarbonylContact C-O 3.54Å; T250-K263 WeakPolarHBondContact CA-O 2.94Å; T251-K263 PolarHBondContact N-O 3.02Å; T251-K263 PolarHBondContact O-N 2.94Å; K263-A277 WeakPolarHBondContact CA-O 3.46Å; K263-R278 HydrophobicContact CB-CG 4.38Å; K263-R278 HydrophobicContact CG-CG 4.26Å
264V87.2Confident83Confident13 Ų1351.1 Ų51.18%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-130.1123.2173.4-178.30000107.3R248 V249 T250 N266 P276 A277 F290R248-V264 HydrophobicContact CG-CG1 3.84Å; V249-V264 CarbonylContact O-C 3.57Å; V249-V264 WeakPolarHBondContact O-CA 3.37Å; T250-V264 HydrophobicContact CG2-CG1 4.24Å; T250-V264 HydrophobicContact CG2-CG2 4.1Å; V264-N266 VanDerWaalsContact CG1-OD1 3.31Å; V264-N266 WeakPolarHBondContact CG1-OD1 3.21Å; V264-P276 CarbonylContact O-C 3.51Å; V264-P276 WeakPolarHBondContact O-CA 3.44Å; V264-A277 HydrophobicContact CB-CB 4.5Å; V264-A277 PolarHBondContact N-O 2.95Å; V264-A277 PolarHBondContact O-N 3.37Å; V264-F290 HydrophobicContact CG2-CE1 4.47Å
265V88Confident82.7Confident56 Ų5651.4 Ų51.434%0.33925%0.252SS..EExtended strand (participates in β ladder)trans-100.8115.2166-175.70000106.8R248 V249R248-V265 WeakPolarHBondContact CA-O 3.16Å; V249-V265 PolarHBondContact N-O 2.82Å; V249-V265 PolarHBondContact O-N 3.06Å
266N85.3Confident82.5Confident28 Ų2851.9 Ų51.915%0.1526%0.256CS..EExtended strand (participates in β ladder)trans-98.7140.2173.5-54.8-70.5000109.2V264 I273 Y274 G275V264-N266 VanDerWaalsContact CG1-OD1 3.31Å; V264-N266 WeakPolarHBondContact CG1-OD1 3.21Å; N266-I273 HydrophobicContact CB-CG2 3.79Å; N266-I273 WeakPolarHBondContact CB-O 3.42Å; N266-Y274 CarbonylContact O-C 3.59Å; N266-Y274 WeakPolarHBondContact O-CA 3.48Å; N266-G275 PolarHBondContact N-O 3.06Å; N266-G275 PolarHBondContact O-N 3.07Å
267A83.5Confident82.7Confident42 Ų4250.5 Ų50.535%0.34725%0.247SC..EExtended strand (participates in β ladder)trans-137.662.2165.300000107.3G246 A247G246-A267 VanDerWaalsContact CA-O 3.32Å; G246-A267 WeakPolarHBondContact CA-O 3.46Å; A247-A267 PolarHBondContact N-O 3.12Å; A247-A267 VanDerWaalsContact N-O 3.16Å; A247-A267 PolarHBondContact O-N 3.27Å
268N79.6Confident83.2Confident12 Ų1256.3 Ų56.36%0.06427%0.265CS..EExtended strand (participates in β ladder)trans-99.499.6-178.6-178.9-42.7000109.9W245 Q270 R271 G272 I273W245-N268 VanDerWaalsContact CD2-ND2 3.31Å; W245-N268 HydrophobicContact CE3-CB 3.79Å; W245-N268 VanDerWaalsContact CE3-CG 3.47Å; W245-N268 HydrophobicContact CZ3-CB 4.19Å; W245-N268 CarbonylContact O-C 3.59Å; W245-N268 WeakPolarHBondContact O-CA 3.38Å; N268-Q270 PolarHBondContact OD1-N 3.21Å; N268-R271 VanDerWaalsContact OD1-CB 3.31Å; N268-R271 WeakPolarHBondContact OD1-CB 3.47Å; N268-R271 WeakPolarHBondContact OD1-CG 3.31Å; N268-R271 PolarHBondContact OD1-N 3.3Å; N268-G272 CarbonylContact O-C 3.57Å; N268-G272 PolarHBondContact O-N 2.87Å; N268-I273 HydrophobicContact CB-CB 4.37Å; N268-I273 PolarHBondContact N-O 2.87Å; N268-I273 PolarHBondContact O-N 2.81Å
269W72.7Confident83.3Confident85 Ų8553.3 Ų53.332%0.32225%0.254SS..THydrogen-bonded Turntrans-74.4-32.5-17659.8-99.8000113.1D244 W245 R271 G272 Y274 L300D244-W269 WeakPolarHBondContact O-CZ2 3.05Å; D244-W269 PolarHBondContact O-NE1 3.19Å; W245-W269 PolarHBondContact O-N 3.48Å; W269-R271 VanDerWaalsContact C-N 3.28Å; W269-R271 PolarHBondContact O-N 2.79Å; W269-G272 PolarHBondContact O-N 3.29Å; W269-Y274 WeakPolarHBondContact CA-OH 3.11Å; W269-Y274 HydrophobicContact CB-CE1 4.3Å; W269-Y274 WeakPolarHBondContact CB-OH 3.41Å; W269-L300 HydrophobicContact CB-CD1 4.32Å; W269-L300 HydrophobicContact CD2-CD1 4.33Å; W269-L300 HydrophobicContact CE3-CB 3.89Å; W269-L300 HydrophobicContact CE3-CD1 3.52Å; W269-L300 HydrophobicContact CE3-CG 4.33Å; W269-L300 HydrophobicContact CZ3-CB 4.09Å; W269-L300 HydrophobicContact CZ3-CD1 4.21Å; W269-L300 PolarHBondContact O-N 2.73Å
270Q67.4Low83.4Confident41 Ų4154.7 Ų54.719%0.19226%0.259CS..THydrogen-bonded Turntrans-62-36.4177.5-170.9-170.657.800111.9W245 N268 G299 L300 A301W245-Q270 HydrophobicContact CB-CB 3.58Å; W245-Q270 HydrophobicContact CB-CG 4.48Å; N268-Q270 PolarHBondContact OD1-N 3.21Å; Q270-G299 CarbonylContact O-C 3.58Å; Q270-G299 WeakPolarHBondContact O-CA 3.45Å; Q270-L300 PolarHBondContact O-N 2.85Å; Q270-A301 HydrophobicContact CG-CB 4.08Å; Q270-A301 VanDerWaalsContact O-CB 3.29Å; Q270-A301 WeakPolarHBondContact O-CB 3.31Å; Q270-A301 PolarHBondContact O-N 2.85Å; Q270-A301 VanDerWaalsContact O-N 3.08Å
271R68Low83.3Confident170 Ų17053.5 Ų53.564%0.64226%0.256SS*.THydrogen-bonded Turntrans-96.1-5.9176.6-60-177-178.4-1590.9113.6N268 W269 I273N268-R271 VanDerWaalsContact OD1-CB 3.31Å; N268-R271 WeakPolarHBondContact OD1-CB 3.47Å; N268-R271 WeakPolarHBondContact OD1-CG 3.31Å; N268-R271 PolarHBondContact OD1-N 3.3Å; W269-R271 VanDerWaalsContact C-N 3.28Å; W269-R271 PolarHBondContact O-N 2.79Å; R271-I273 HydrophobicContact CB-CB 4.41Å; R271-I273 HydrophobicContact CB-CD1 3.71Å; R271-I273 HydrophobicContact CB-CG1 3.77Å; R271-I273 PolarHBondContact O-N 2.97Å
272G74.3Confident83.2Confident0 Ų050.2 Ų50.20%024%0.243CC..THydrogen-bonded Turntrans67.919.6-17500000114.3N268 W269 Y274 K296 T297 G299N268-G272 CarbonylContact O-C 3.57Å; N268-G272 PolarHBondContact O-N 2.87Å; W269-G272 PolarHBondContact O-N 3.29Å; G272-Y274 WeakPolarHBondContact O-CD2 3.47Å; G272-K296 CarbonylContact O-C 3.42Å; G272-K296 VanDerWaalsContact O-CA 3.29Å; G272-K296 WeakPolarHBondContact O-CA 3.36Å; G272-T297 WeakPolarHBondContact CA-OG1 3.25Å; G272-T297 PolarHBondContact O-N 2.78Å; G272-T297 PolarHBondContact O-OG1 3.42Å; G272-G299 VanDerWaalsContact N-CA 3.27Å
273I77.3Confident82.7Confident46 Ų4653.9 Ų53.924%0.23627%0.266CS..EExtended strand (participates in β ladder)trans-97.698.2-171.7-62.7177.8000109.3N266 N268 R271 V294N266-I273 HydrophobicContact CB-CG2 3.79Å; N266-I273 WeakPolarHBondContact CB-O 3.42Å; N268-I273 HydrophobicContact CB-CB 4.37Å; N268-I273 PolarHBondContact N-O 2.87Å; N268-I273 PolarHBondContact O-N 2.81Å; R271-I273 HydrophobicContact CB-CB 4.41Å; R271-I273 HydrophobicContact CB-CD1 3.71Å; R271-I273 HydrophobicContact CB-CG1 3.77Å; R271-I273 PolarHBondContact O-N 2.97Å; I273-V294 HydrophobicContact CB-CG1 4.5Å; I273-V294 HydrophobicContact CG2-CG1 3.62Å
274Y81.6Confident82.2Confident60 Ų6053.6 Ų53.624%0.23527%0.267CS..EExtended strand (participates in β ladder)trans-118.1143.2-178.2-59.6-82.9000112.4N266 W269 G272 V294 V295 T297N266-Y274 CarbonylContact O-C 3.59Å; N266-Y274 WeakPolarHBondContact O-CA 3.48Å; W269-Y274 WeakPolarHBondContact CA-OH 3.11Å; W269-Y274 HydrophobicContact CB-CE1 4.3Å; W269-Y274 WeakPolarHBondContact CB-OH 3.41Å; G272-Y274 WeakPolarHBondContact O-CD2 3.47Å; Y274-V294 CarbonylContact O-C 3.56Å; Y274-V294 WeakPolarHBondContact O-CA 3.41Å; Y274-V295 PolarHBondContact N-O 2.91Å; Y274-V295 PolarHBondContact O-N 3.27Å; Y274-T297 HydrophobicContact CD2-CG2 4.18Å; Y274-T297 HydrophobicContact CE2-CG2 4.13Å
275G84.9Confident82Confident21 Ų2157.4 Ų57.422%0.21629%0.291CS..EExtended strand (participates in β ladder)trans103.8-179.8168.100000115.7N266N266-G275 PolarHBondContact N-O 3.06Å; N266-G275 PolarHBondContact O-N 3.07Å
276P86.3Confident81.8Confident52 Ų5258 Ų5834%0.33831%0.309SS..EExtended strand (participates in β ladder)trans-86.6124.8-172.432.3-33.4000113.4V264 N293V264-P276 CarbonylContact O-C 3.51Å; V264-P276 WeakPolarHBondContact O-CA 3.44Å; P276-N293 WeakPolarHBondContact CD-O 3.41Å; P276-N293 HydrophobicContact CG-CB 4.35Å; P276-N293 CarbonylContact O-C 3.57Å; P276-N293 WeakPolarHBondContact O-CA 3.4Å; P276-N293 WeakPolarHBondContact O-CB 3.32Å; P276-N293 PolarHBondContact O-N 2.79Å
277A85.2Confident81.6Confident9 Ų961.2 Ų61.27%0.07433%0.325CS..EExtended strand (participates in β ladder)trans-97149.1155.800000110.8K263 V264 F290 R291 V294K263-A277 WeakPolarHBondContact CA-O 3.46Å; V264-A277 HydrophobicContact CB-CB 4.5Å; V264-A277 PolarHBondContact N-O 2.95Å; V264-A277 PolarHBondContact O-N 3.37Å; A277-F290 HydrophobicContact CB-CD1 4.4Å; A277-R291 WeakPolarHBondContact CA-O 3.4Å; A277-V294 HydrophobicContact CB-CG2 4.14Å
278R88.8Confident81.5Confident170 Ų17061.6 Ų61.664%0.64233%0.333SS*.EExtended strand (participates in β ladder)trans-133.8143.9168.5-58-176-165.5-175.25.3108.7G262 K263 F290 R291G262-R278 CarbonylContact O-C 3.39Å; G262-R278 VanDerWaalsContact O-CA 3.31Å; G262-R278 WeakPolarHBondContact O-CA 3.2Å; K263-R278 HydrophobicContact CB-CG 4.38Å; K263-R278 HydrophobicContact CG-CG 4.26Å; R278-F290 CarbonylContact O-C 3.58Å; R278-F290 WeakPolarHBondContact O-CA 3.23Å; R278-R291 PolarHBondContact N-O 2.8Å; R278-R291 PolarHBondContact O-N 3.07Å; R278-R291 VanDerWaalsContact O-O 3.08Å
279G88.7Confident81.5Confident6 Ų662.5 Ų62.56%0.06235%0.345CS..EExtended strand (participates in β ladder)trans-160.6173.7177.100000113.2Q261 G262 G289Q261-G279 CarbonylContact C-O 3.56Å; Q261-G279 WeakPolarHBondContact CA-O 3.32Å; G262-G279 PolarHBondContact N-O 2.83Å; G262-G279 PolarHBondContact O-N 2.87Å; G279-G289 CarbonylContact C-O 3.32Å; G279-G289 WeakPolarHBondContact CA-O 3.46Å
280W90.7Very high81.6Confident118 Ų11864.2 Ų64.245%0.44736%0.355SS..EExtended strand (participates in β ladder)trans-141.3161.6176.365-84.1000109.7D260 V282 I287 G288 G289D260-W280 CarbonylContact O-C 3.46Å; D260-W280 WeakPolarHBondContact O-CA 3.48Å; W280-V282 HydrophobicContact CZ3-CG2 4.17Å; W280-I287 HydrophobicContact CH2-CD1 4.42Å; W280-I287 HydrophobicContact CH2-CG1 4.45Å; W280-I287 HydrophobicContact CZ3-CD1 4.37Å; W280-I287 HydrophobicContact CZ3-CG1 4.21Å; W280-G288 CarbonylContact O-C 3.44Å; W280-G288 WeakPolarHBondContact O-CA 3.35Å; W280-G289 PolarHBondContact N-O 3.11Å; W280-G289 PolarHBondContact O-N 2.88Å
281G87.8Confident82.1Confident15 Ų1572.4 Ų72.416%0.15538%0.384CS..EExtended strand (participates in β ladder)trans-160.4164170.200000112.3W259 D260 I287W259-G281 WeakPolarHBondContact CA-O 3.48Å; D260-G281 PolarHBondContact N-O 3.3Å; D260-G281 PolarHBondContact O-N 3Å; G281-I287 CarbonylContact C-O 3.49Å; G281-I287 WeakPolarHBondContact CA-O 3.11Å
282V88.5Confident82.3Confident35 Ų3568 Ų6821%0.21238%0.379CS..  trans-118.492.1174.7172.30000106F258 W280 L284 V285 G286 I287F258-V282 WeakPolarHBondContact O-CA 3.24Å; F258-V282 VanDerWaalsContact O-CG1 3.31Å; F258-V282 WeakPolarHBondContact O-CG1 3.38Å; F258-V282 WeakPolarHBondContact O-CG2 3.49Å; W280-V282 HydrophobicContact CZ3-CG2 4.17Å; V282-L284 PolarHBondContact O-N 2.97Å; V282-L284 VanDerWaalsContact O-N 3.12Å; V282-V285 HydrophobicContact CB-CG2 4.03Å; V282-V285 HydrophobicContact CG1-CG1 4.44Å; V282-V285 HydrophobicContact CG1-CG2 3.64Å; V282-V285 PolarHBondContact O-N 3.23Å; V282-V285 VanDerWaalsContact O-N 3.11Å; V282-G286 PolarHBondContact O-N 3.12Å; V282-I287 HydrophobicContact CB-CD1 4.45Å; V282-I287 HydrophobicContact CB-CG1 3.96Å; V282-I287 HydrophobicContact CG2-CD1 4.45Å; V282-I287 HydrophobicContact CG2-CG1 4.29Å; V282-I287 PolarHBondContact N-O 2.87Å
283P80.5Confident82.2Confident81 Ų8174 Ų7453%0.52641%0.412SS..G310 helixtrans-51.3-39-171.2-29.433.7000114.4D257 V285 G286D257-P283 WeakPolarHBondContact O-CB 3.5Å; D257-P283 VanDerWaalsContact O-CD 3.24Å; D257-P283 WeakPolarHBondContact O-CD 3.32Å; P283-V285 VanDerWaalsContact C-N 3.27Å; P283-V285 PolarHBondContact O-N 2.85Å; P283-G286 PolarHBondContact O-N 2.76Å
284L79.2Confident82Confident65 Ų6573.3 Ų73.334%0.3441%0.409SS..G310 helixtrans-56.9-32.2179.7-82.8162.7000115.6F226 D257 F258 V282F226-L284 HydrophobicContact CB-CD2 4.16Å; F226-L284 HydrophobicContact CD1-CD2 3.91Å; F226-L284 HydrophobicContact CD2-CD1 4.33Å; F226-L284 HydrophobicContact CD2-CD2 3.34Å; F226-L284 HydrophobicContact CD2-CG 4.44Å; F226-L284 HydrophobicContact CE1-CD1 4.24Å; F226-L284 HydrophobicContact CE1-CD2 4.07Å; F226-L284 HydrophobicContact CE2-CD1 3.62Å; F226-L284 HydrophobicContact CE2-CD2 3.53Å; F226-L284 HydrophobicContact CE2-CG 4.2Å; F226-L284 HydrophobicContact CG-CD2 3.53Å; F226-L284 HydrophobicContact CZ-CD1 3.55Å; F226-L284 HydrophobicContact CZ-CD2 3.88Å; F226-L284 HydrophobicContact CZ-CG 4.38Å; D257-L284 HydrophobicContact CB-CD1 3.75Å; D257-L284 HydrophobicContact CB-CD2 4.14Å; D257-L284 HydrophobicContact CB-CG 3.71Å; D257-L284 WeakPolarHBondContact O-CB 3.45Å; D257-L284 WeakPolarHBondContact O-CD1 3.42Å; D257-L284 WeakPolarHBondContact O-CG 3.38Å; D257-L284 PolarHBondContact O-N 3Å; F258-L284 HydrophobicContact CD1-CD1 3.76Å; F258-L284 HydrophobicContact CE1-CD1 3.82Å; F258-L284 HydrophobicContact CG-CD1 4.28Å; F258-L284 HydrophobicContact CZ-CD1 4.36Å; V282-L284 PolarHBondContact O-N 2.97Å; V282-L284 VanDerWaalsContact O-N 3.12Å
285V84.7Confident81.5Confident93 Ų9374.1 Ų74.156%0.56442%0.42SS*.G310 helixtrans-118.610.1-175.1-47.60000112.3V282 P283 I287V282-V285 HydrophobicContact CB-CG2 4.03Å; V282-V285 HydrophobicContact CG1-CG1 4.44Å; V282-V285 HydrophobicContact CG1-CG2 3.64Å; V282-V285 PolarHBondContact O-N 3.23Å; V282-V285 VanDerWaalsContact O-N 3.11Å; P283-V285 VanDerWaalsContact C-N 3.27Å; P283-V285 PolarHBondContact O-N 2.85Å; V285-I287 HydrophobicContact CG2-CB 4.32Å; V285-I287 HydrophobicContact CG2-CD1 3.74Å; V285-I287 HydrophobicContact CG2-CG1 3.6Å; V285-I287 HydrophobicContact CG2-CG2 4.13Å; V285-I287 PolarHBondContact O-N 3.11Å
286G82.7Confident80.8Confident70 Ų7081.3 Ų81.372%0.72245%0.446SS*.  trans68.5-8.6176.100000116.4V282 P283V282-G286 PolarHBondContact O-N 3.12Å; P283-G286 PolarHBondContact O-N 2.76Å
287I80.6Confident79.7Confident95 Ų9580.7 Ų80.749%0.48744%0.441SS..  trans-74.2147.5-17971.3-175.1000112W280 G281 V282 V285W280-I287 HydrophobicContact CH2-CD1 4.42Å; W280-I287 HydrophobicContact CH2-CG1 4.45Å; W280-I287 HydrophobicContact CZ3-CD1 4.37Å; W280-I287 HydrophobicContact CZ3-CG1 4.21Å; G281-I287 CarbonylContact C-O 3.49Å; G281-I287 WeakPolarHBondContact CA-O 3.11Å; V282-I287 HydrophobicContact CB-CD1 4.45Å; V282-I287 HydrophobicContact CB-CG1 3.96Å; V282-I287 HydrophobicContact CG2-CD1 4.45Å; V282-I287 HydrophobicContact CG2-CG1 4.29Å; V282-I287 PolarHBondContact N-O 2.87Å; V285-I287 HydrophobicContact CG2-CB 4.32Å; V285-I287 HydrophobicContact CG2-CD1 3.74Å; V285-I287 HydrophobicContact CG2-CG1 3.6Å; V285-I287 HydrophobicContact CG2-CG2 4.13Å; V285-I287 PolarHBondContact O-N 3.11Å
288G82.4Confident78.2Confident50 Ų5084 Ų8452%0.51546%0.463SS..EExtended strand (participates in β ladder)trans-178.1174.917100000111.9W280W280-G288 CarbonylContact O-C 3.44Å; W280-G288 WeakPolarHBondContact O-CA 3.35Å
289G78.5Confident76.5Confident31 Ų3176.4 Ų76.432%0.3244%0.438SS..EExtended strand (participates in β ladder)trans-154.3123.517800000111.7G279 W280G279-G289 CarbonylContact C-O 3.32Å; G279-G289 WeakPolarHBondContact CA-O 3.46Å; W280-G289 PolarHBondContact N-O 3.11Å; W280-G289 PolarHBondContact O-N 2.88Å
290F76.4Confident74.7Confident121 Ų12176.7 Ų76.753%0.53144%0.438SS..EExtended strand (participates in β ladder)trans-104.8121.1170-89.4-97000110.4V264 A277 R278V264-F290 HydrophobicContact CG2-CE1 4.47Å; A277-F290 HydrophobicContact CB-CD1 4.4Å; R278-F290 CarbonylContact O-C 3.58Å; R278-F290 WeakPolarHBondContact O-CA 3.23Å
291R76.2Confident72.7Confident212 Ų21272.4 Ų72.480%0.843%0.428SS*.EExtended strand (participates in β ladder)trans-92.3113.8165.4-69.2-175.4177.7-119.81.3108.6A277 R278A277-R291 WeakPolarHBondContact CA-O 3.4Å; R278-R291 PolarHBondContact N-O 2.8Å; R278-R291 PolarHBondContact O-N 3.07Å; R278-R291 VanDerWaalsContact O-O 3.08Å
292S73.5Confident70.8Confident78 Ų7873.4 Ų73.455%0.54544%0.435SS..EExtended strand (participates in β ladder)trans-101.9105.1179.756.60000111.2V294S292-V294 PolarHBondContact O-N 2.89Å
293N72.4Confident68.7Low127 Ų12776.7 Ų76.768%0.67946%0.457SS*.  trans-82.854.2162.9-65.424000108P276P276-N293 WeakPolarHBondContact CD-O 3.41Å; P276-N293 HydrophobicContact CG-CB 4.35Å; P276-N293 CarbonylContact O-C 3.57Å; P276-N293 WeakPolarHBondContact O-CA 3.4Å; P276-N293 WeakPolarHBondContact O-CB 3.32Å; P276-N293 PolarHBondContact O-N 2.79Å
294V71.7Confident67.2Low30 Ų3077 Ų7718%0.18247%0.466CS..  trans-104.4114.1-173.1169.30000108I273 Y274 A277 S292 K296I273-V294 HydrophobicContact CB-CG1 4.5Å; I273-V294 HydrophobicContact CG2-CG1 3.62Å; Y274-V294 CarbonylContact O-C 3.56Å; Y274-V294 WeakPolarHBondContact O-CA 3.41Å; A277-V294 HydrophobicContact CB-CG2 4.14Å; S292-V294 PolarHBondContact O-N 2.89Å; V294-K296 PolarHBondContact O-N 3Å
295V71.2Confident65.8Low78 Ų7875.6 Ų75.647%0.47346%0.459SS..EExtended strand (participates in β ladder)trans-68.2121.6166.6-178.90000106.8Y274 T297Y274-V295 PolarHBondContact N-O 2.91Å; Y274-V295 PolarHBondContact O-N 3.27Å; V295-T297 HydrophobicContact CG1-CG2 4.09Å
296K69.9Low64.3Low172 Ų17272.3 Ų72.375%0.74844%0.436SS*.EExtended strand (participates in β ladder)trans-98.6103.2164-69.2-178.6-178.5176.60107.4G272 V294G272-K296 CarbonylContact O-C 3.42Å; G272-K296 VanDerWaalsContact O-CA 3.29Å; G272-K296 WeakPolarHBondContact O-CA 3.36Å; V294-K296 PolarHBondContact O-N 3Å
297T63.2Low62.6Low39 Ų3973 Ų7324%0.23943%0.428CS..PPolyproline II helixtrans-75.9172.5161.564.40000108.9G272 Y274 V295 G299G272-T297 WeakPolarHBondContact CA-OG1 3.25Å; G272-T297 PolarHBondContact O-N 2.78Å; G272-T297 PolarHBondContact O-OG1 3.42Å; Y274-T297 HydrophobicContact CD2-CG2 4.18Å; Y274-T297 HydrophobicContact CE2-CG2 4.13Å; V295-T297 HydrophobicContact CG1-CG2 4.09Å; T297-G299 PolarHBondContact O-N 2.93Å
298S55Low60.8Low77 Ų7769.7 Ų69.754%0.53842%0.415SS..PPolyproline II helixtrans-56.1128.7149.451.30000107.6D305S298-D305 WeakPolarHBondContact CB-OD1 3.37Å; S298-D305 WeakPolarHBondContact CB-OD2 3.45Å; S298-D305 PolarHBondContact OG-OD1 2.91Å; S298-D305 PolarHBondContact OG-OD2 2.8Å
299G52.6Low58.9Low11 Ų1170 Ų7011%0.11340%0.404CS..PPolyproline II helixtrans-88.8140.8178.300000109.2Q270 G272 T297 A301 A302 D305Q270-G299 CarbonylContact O-C 3.58Å; Q270-G299 WeakPolarHBondContact O-CA 3.45Å; G272-G299 VanDerWaalsContact N-CA 3.27Å; T297-G299 PolarHBondContact O-N 2.93Å; G299-A301 CarbonylContact O-C 3.56Å; G299-A301 PolarHBondContact O-N 2.84Å; G299-A302 WeakPolarHBondContact O-CB 3.47Å; G299-A302 PolarHBondContact O-N 2.82Å; G299-D305 VanDerWaalsContact O-OD2 3.12Å
300L52Low57.3Low13 Ų1374.5 Ų74.57%0.06841%0.412CS..THydrogen-bonded Turntrans-58.5-1.2-175.7-73.1150.1000114.9W269 Q270 A302 D305 W306 L309 P315W269-L300 HydrophobicContact CB-CD1 4.32Å; W269-L300 HydrophobicContact CD2-CD1 4.33Å; W269-L300 HydrophobicContact CE3-CB 3.89Å; W269-L300 HydrophobicContact CE3-CD1 3.52Å; W269-L300 HydrophobicContact CE3-CG 4.33Å; W269-L300 HydrophobicContact CZ3-CB 4.09Å; W269-L300 HydrophobicContact CZ3-CD1 4.21Å; W269-L300 PolarHBondContact O-N 2.73Å; Q270-L300 PolarHBondContact O-N 2.85Å; L300-A302 VanDerWaalsContact C-N 3.3Å; L300-D305 HydrophobicContact CD2-CB 3.94Å; L300-W306 PolarHBondContact O-NE1 2.88Å; L300-L309 HydrophobicContact CD2-CD1 4.16Å; L300-L309 HydrophobicContact CD2-CD2 4.13Å; L300-L309 HydrophobicContact CD2-CG 3.92Å; L300-P315 HydrophobicContact CD2-CG 4.35Å
301A48.6Very low55.7Low27 Ų2773.3 Ų73.322%0.22342%0.419CS..THydrogen-bonded Turntrans-75.9-4.5161.900000115.5K200 Q270 G299K200-A301 HydrophobicContact CD-CB 4.43Å; Q270-A301 HydrophobicContact CG-CB 4.08Å; Q270-A301 VanDerWaalsContact O-CB 3.29Å; Q270-A301 WeakPolarHBondContact O-CB 3.31Å; Q270-A301 PolarHBondContact O-N 2.85Å; Q270-A301 VanDerWaalsContact O-N 3.08Å; G299-A301 CarbonylContact O-C 3.56Å; G299-A301 PolarHBondContact O-N 2.84Å
302A46.9Very low53.6Low37 Ų3765.7 Ų65.731%0.30641%0.406SS..SBendtrans-88.9127.2172.900000110.2G299 L300 A304 D305 W306G299-A302 WeakPolarHBondContact O-CB 3.47Å; G299-A302 PolarHBondContact O-N 2.82Å; L300-A302 VanDerWaalsContact C-N 3.3Å; A302-A304 PolarHBondContact O-N 3.46Å; A302-D305 PolarHBondContact O-N 3.4Å; A302-W306 PolarHBondContact O-NE1 2.92Å
303P45.5Very low51.6Low104 Ų10463.5 Ų63.568%0.67540%0.396SS*.G310 helixtrans-56.9-23.2-175.2-28.936.2000115.6W306P303-W306 WeakPolarHBondContact O-CB 3.17Å; P303-W306 PolarHBondContact O-N 3.47Å
304A48.2Very low50Low87 Ų8762.6 Ų62.672%0.71940%0.395SS*.G310 helixtrans-71.4-25.2177.800000114A302 W306 P307A302-A304 PolarHBondContact O-N 3.46Å; A304-W306 VanDerWaalsContact C-N 3.29Å; A304-P307 WeakPolarHBondContact O-CD 2.97Å
305D50Low48.4Very low35 Ų3563.7 Ų63.719%0.18740%0.402CS..G310 helixtrans-83.4-7.5179.3-58.5-47.3000112.3S298 G299 L300 A302 A308S298-D305 WeakPolarHBondContact CB-OD1 3.37Å; S298-D305 WeakPolarHBondContact CB-OD2 3.45Å; S298-D305 PolarHBondContact OG-OD1 2.91Å; S298-D305 PolarHBondContact OG-OD2 2.8Å; G299-D305 VanDerWaalsContact O-OD2 3.12Å; L300-D305 HydrophobicContact CD2-CB 3.94Å; A302-D305 PolarHBondContact O-N 3.4Å; D305-A308 PolarHBondContact O-N 2.83Å
306W52.5Low46.8Very low24 Ų2465.4 Ų65.49%0.09142%0.415CS..Hα-helixtrans-68.1-23-173.4-68.422.1000115.4I194 L300 A302 P303 A304 A308 L309 R310I194-W306 HydrophobicContact CB-CH2 4.36Å; I194-W306 HydrophobicContact CB-CZ3 4.07Å; I194-W306 HydrophobicContact CG1-CH2 4.08Å; I194-W306 HydrophobicContact CG1-CZ3 4.27Å; I194-W306 HydrophobicContact CG2-CE3 3.76Å; I194-W306 HydrophobicContact CG2-CH2 4.28Å; I194-W306 HydrophobicContact CG2-CZ3 3.63Å; I194-W306 WeakPolarHBondContact O-CZ3 3.45Å; L300-W306 PolarHBondContact O-NE1 2.88Å; A302-W306 PolarHBondContact O-NE1 2.92Å; P303-W306 WeakPolarHBondContact O-CB 3.17Å; P303-W306 PolarHBondContact O-N 3.47Å; A304-W306 VanDerWaalsContact C-N 3.29Å; W306-A308 PolarHBondContact O-N 2.83Å; W306-L309 PolarHBondContact O-N 3.13Å; W306-R310 PolarHBondContact O-N 3.19Å; W306-R310 VanDerWaalsContact O-N 3.15Å
307P46.4Very low45.6Very low85 Ų8560.9 Ų60.955%0.55240%0.404SS*.Hα-helixtrans-59.5-28.5169.2-26.437.2000114.4A304 R310 S311A304-P307 WeakPolarHBondContact O-CD 2.97Å; P307-R310 WeakPolarHBondContact O-CB 3.2Å; P307-R310 PolarHBondContact O-N 2.89Å; P307-S311 PolarHBondContact O-N 2.89Å
308A44.6Very low44.7Very low26 Ų2663.3 Ų63.322%0.21543%0.428CS..Hα-helixtrans-70.3-38174.900000111.9D305 W306 R310 S311 G313 P315D305-A308 PolarHBondContact O-N 2.83Å; W306-A308 PolarHBondContact O-N 2.83Å; A308-R310 VanDerWaalsContact C-N 3.25Å; A308-R310 PolarHBondContact O-N 2.79Å; A308-S311 PolarHBondContact O-N 2.81Å; A308-S311 PolarHBondContact O-OG 2.94Å; A308-G313 CarbonylContact C-O 3.53Å; A308-G313 PolarHBondContact O-N 3.07Å; A308-G313 VanDerWaalsContact O-O 3.04Å; A308-P315 HydrophobicContact CB-CB 4.23Å; A308-P315 HydrophobicContact CB-CG 3.96Å
309L42.4Very low44Very low55 Ų5565.3 Ų65.329%0.28843%0.432SS..Hα-helixtrans-65.2-29.4172.6-63.9173000112.1L300 W306 G312L300-L309 HydrophobicContact CD2-CD1 4.16Å; L300-L309 HydrophobicContact CD2-CD2 4.13Å; L300-L309 HydrophobicContact CD2-CG 3.92Å; W306-L309 PolarHBondContact O-N 3.13Å; L309-G312 PolarHBondContact O-N 3.37Å
310R44.3Very low43.5Very low126 Ų12668.6 Ų68.648%0.47545%0.451SS..Hα-helixtrans-67.7-31.1175.6-70.8178.5-176-129.70.5113.3Y195 W306 P307 A308 G312Y195-R310 HydrophobicContact CE1-CG 3.82Å; Y195-R310 WeakPolarHBondContact OH-CG 3.24Å; W306-R310 PolarHBondContact O-N 3.19Å; W306-R310 VanDerWaalsContact O-N 3.15Å; P307-R310 WeakPolarHBondContact O-CB 3.2Å; P307-R310 PolarHBondContact O-N 2.89Å; A308-R310 VanDerWaalsContact C-N 3.25Å; A308-R310 PolarHBondContact O-N 2.79Å; R310-G312 VanDerWaalsContact C-N 3.33Å
311S43.5Very low42.9Very low96 Ų9673.5 Ų73.567%0.67149%0.493SS*.THydrogen-bonded Turntrans-89.16.7177.357.60000114.1P307 A308 G313P307-S311 PolarHBondContact O-N 2.89Å; A308-S311 PolarHBondContact O-N 2.81Å; A308-S311 PolarHBondContact O-OG 2.94Å; S311-G313 PolarHBondContact O-N 2.98Å
312G31.2Very low42.7Very low53 Ų5375.7 Ų75.755%0.54652%0.518SS..THydrogen-bonded Turntrans71.74.6-17900000114.6L309 R310L309-G312 PolarHBondContact O-N 3.37Å; R310-G312 VanDerWaalsContact C-N 3.33Å
313G31.5Very low42.4Very low32 Ų3280 Ų8033%0.3353%0.534SS..  trans-93.9123.9178.700000112A308 S311 P315A308-G313 CarbonylContact C-O 3.53Å; A308-G313 PolarHBondContact O-N 3.07Å; A308-G313 VanDerWaalsContact O-O 3.04Å; S311-G313 PolarHBondContact O-N 2.98Å; G313-P315 VanDerWaalsContact O-CD 3.28Å; G313-P315 WeakPolarHBondContact O-CD 3.35Å
314V39.3Very low42.1Very low107 Ų10781.4 Ų81.465%0.64854%0.54SS*.  trans-68115153.81800000106
315P37.1Very low41.4Very low53 Ų5380.9 Ų80.934%0.34454%0.536SS..  trans-64.5129.6-178.726.1-32.2000108.7L300 A308 G313L300-P315 HydrophobicContact CD2-CG 4.35Å; A308-P315 HydrophobicContact CB-CB 4.23Å; A308-P315 HydrophobicContact CB-CG 3.96Å; G313-P315 VanDerWaalsContact O-CD 3.28Å; G313-P315 WeakPolarHBondContact O-CD 3.35Å
316P37.4Very low40.9Very low114 Ų11487.6 Ų87.674%0.7457%0.566SS**  trans-59.2146.5171.227-33.8000108.6A318P316-A318 PolarHBondContact O-N 2.79Å
317P44.9Very low40.2Very low78 Ų7892.3 Ų92.351%0.50660%0.6SS.*  trans-59.6114-178.324.7-33.7000109.4L319P317-L319 PolarHBondContact O-N 3.04Å
318A44.5Very low39.7Very low90 Ų9097.8 Ų97.874%0.74462%0.615SS**  trans-59.3106.9173.800000108.2P316P316-A318 PolarHBondContact O-N 2.79Å
319L40.9Very low39.2Very low119 Ų119105.5 Ų105.562%0.62364%0.644SS**  trans-61.6138.6176.3-69.6173.3000108.5P317 A321 M323P317-L319 PolarHBondContact O-N 3.04Å; L319-A321 PolarHBondContact O-N 3.04Å; L319-M323 HydrophobicContact CB-CB 4.4Å
320P42.1Very low39Very low79 Ų79108.5 Ų108.551%0.51367%0.667SS.*  trans-58.5132.3176.125.3-33.5000109.4G322 M323P320-G322 PolarHBondContact O-N 3.1Å; P320-M323 HydrophobicContact CG-CE 4.48Å; P320-M323 HydrophobicContact CG-CG 4.37Å; P320-M323 HydrophobicContact CG-SD 4.11Å; P320-M323 PolarHBondContact O-N 3.03Å; P320-M323 VanDerWaalsContact O-N 3.11Å
321A40.2Very low38.7Very low116 Ų116111 Ų11196%0.95969%0.687SS**THydrogen-bonded Turntrans-54.8112.918000000109.7L319L319-A321 PolarHBondContact O-N 3.04Å
322G44.1Very low38Very low73 Ų73109.4 Ų109.475%0.75369%0.687SS**THydrogen-bonded Turntrans132.3-14.9-166.400000114.6P320P320-G322 PolarHBondContact O-N 3.1Å
323M39Very low38.3Very low129 Ų129115.3 Ų115.364%0.63571%0.705SS**  trans-99.386.2172.1-69.4-171.2174.500112.1L319 P320L319-M323 HydrophobicContact CB-CB 4.4Å; P320-M323 HydrophobicContact CG-CE 4.48Å; P320-M323 HydrophobicContact CG-CG 4.37Å; P320-M323 HydrophobicContact CG-SD 4.11Å; P320-M323 PolarHBondContact O-N 3.03Å; P320-M323 VanDerWaalsContact O-N 3.11Å
324V40.9Very low38.6Very low132 Ų132119.1 Ų119.180%0.873%0.727SS**  trans-138.9136-176.1175.40000106.9
325A33.5Very low38.3Very low77 Ų77119.1 Ų119.164%0.63673%0.731SS**  cis-155.8167.8-900000110.4
326H37.9Very low38.6Very low175 Ų175124.7 Ų124.781%0.8176%0.756SS**  trans-130.2133.9155.2-73.2-44.1000110F328H326-F328 PolarHBondContact O-N 2.99Å
327P39Very low38.6Very low124 Ų124127.8 Ų127.881%0.80576%0.761SS**  trans-85.8104.7-172.332.6-33.9000112.2K329P327-K329 PolarHBondContact O-N 3.35Å
328F35Very low38.2Very low199 Ų199130 Ų13087%0.87378%0.775SS**  trans-79.3104.6158.3-90.2-86.1000109.3H326 P330H326-F328 PolarHBondContact O-N 2.99Å; F328-P330 WeakPolarHBondContact O-CD 3.21Å
329K35.6Very low38.2Very low188 Ų188132.6 Ų132.682%0.81778%0.782SS**PPolyproline II helixtrans-63.4125167.1-83.8-176.1170.3-177.40109.2P327P327-K329 PolarHBondContact O-N 3.35Å
330P36.9Very low38.1Very low119 Ų119135.6 Ų135.677%0.77379%0.793SS**PPolyproline II helixtrans-68.6134.3160.829.7-31.9000109F328F328-P330 WeakPolarHBondContact O-CD 3.21Å
331I38.8Very low38Very low177 Ų177136.8 Ų136.891%0.90880%0.803SS**PPolyproline II helixtrans-77.1123.7162.4-64.2174.8000105.9
332G28.9Very low37.9Very low64 Ų64142.8 Ų142.866%0.6680%0.801SS**PPolyproline II helixtrans-90.2167.5-157.600000116.3
333L37.3Very low37.5Very low177 Ų177150 Ų15093%0.92781%0.807SS**  trans-129.3154153.6-83.2168.3000108.1
334S38.3Very low37.7Very low112 Ų112148.6 Ų148.678%0.78381%0.807SS**  trans-59.5135.9-17637.70000112.5
335S32.8Very low37.6Very low106 Ų106148.1 Ų148.174%0.74181%0.805SS**  78.485.651-172.40000113.6
336I41.9Very low38Very low171 Ų171150.2 Ų150.288%0.87782%0.815SS**  trans-134.8134.7147.8-60.7-177.2000105.8
337E38Very low38.1Very low179 Ų179150 Ų15084%0.83682%0.819SS**  trans-87.7154.9-171.7-70.6175.7105.300113.8
338P36Very low38.1Very low123 Ų123147.8 Ų147.880%0.79982%0.819SS**  trans-93.7163.5169.838.3-34000112.6
339T44.8Very low38.3Very low145 Ų145141.9 Ų141.989%0.8981%0.814SS**  trans-126129.1166.8-51.20000110.1
340E39.8Very low38.6Very low182 Ų182140.5 Ų140.585%0.8582%0.821SS**  trans-77.1158.3178.1-61.2-177.580.400113.3
341S38.4Very low38.8Very low105 Ų105137.8 Ų137.873%0.73482%0.815SS**  179.4138.9108.641.70000116.1
342R39.8Very low38.9Very low242 Ų242135.5 Ų135.591%0.91381%0.809SS**  trans61.994.4142.9-64.8175.8-173.1-177.23.3121.6
343Y34.3Very low39.5Very low223 Ų223138.9 Ų138.988%0.87582%0.817SS**  -30.3172.2124.4-86.3-77.9000117
344P44.5Very low39.9Very low100 Ų100135.6 Ų135.665%0.64981%0.806SS**  cis-141.2175.4-0.133-10.3000118.8
345T38.4Very low40Very low123 Ų123135.3 Ų135.376%0.75580%0.804SS**  trans55.8129.4146.343.40000123.9
346S41.2Very low40.4Very low120 Ų120138.8 Ų138.884%0.83981%0.813SS**  -155168125.863.60000111.4
347L41Very low40.3Very low170 Ų170135.9 Ų135.989%0.8981%0.808SS**  trans-123.8153.3-179.3-85.871.2000111
348G37.9Very low40.6Very low79 Ų79132.7 Ų132.781%0.81481%0.806SS**  trans140.9146.3149.900000118.3
349G39Very low40.9Very low74 Ų74135.1 Ų135.176%0.76381%0.807SS**  trans82.6117.2169.900000115.1
350V43.4Very low40.7Very low159 Ų159134.8 Ų134.896%0.96480%0.799SS**  cis89.4117.528.3-174.70000114.7
351G40.3Very low40.7Very low62 Ų62133.4 Ų133.464%0.63980%0.797SS**  trans138.187.6174.700000113.6
352T41.3Very low40.7Very low130 Ų130135.1 Ų135.180%0.79880%0.797SS**  85.399.684.953.80000117.6
353V41.7Very low40.7Very low135 Ų135129.1 Ų129.182%0.81879%0.788SS**  15.2164.9129.1-940000122.5
354P45Very low40.9Very low107 Ų107126.7 Ų126.770%0.69578%0.784SS**  cis-143.4175.7-0.834.5-11.7000119.2
355S39.9Very low40.6Very low106 Ų106125.4 Ų125.474%0.74178%0.782SS**  trans51.9137137.266.70000125.5
356L40.6Very low40.7Very low179 Ų179128.5 Ų128.594%0.93779%0.788SS**  trans-156.4157.3139.7-111.9161.2000110.4
357S40.7Very low40.6Very low111 Ų111126.6 Ų126.678%0.77678%0.779SS**  trans-159.8140.3-161.756.60000117
358S44.4Very low40.3Very low112 Ų112125.7 Ų125.778%0.78378%0.775SS**  trans-172.7141.1159.345.10000108
359E42Very low40.3Very low174 Ų174130.1 Ų130.181%0.81377%0.771SS**  cis102.8144.426-76.6-153.9116.700115.4
360N41.2Very low40.2Very low138 Ų138132.2 Ų132.274%0.73877%0.769SS**  trans77.7147.3171.4-60.2-47.3000118.2
361L39.2Very low39.8Very low153 Ų153131.9 Ų131.980%0.80176%0.761SS**  cis-153.1149-6.4-144.7132.8000115.3
362L39.1Very low39.9Very low140 Ų140135.1 Ų135.173%0.73377%0.769SS**  trans-28.8154.1170.3-128.774.6000125.4
363T39.7Very low39.4Very low117 Ų117137.4 Ų137.472%0.71877%0.77SS**  trans64.9159.9149.339.10000120.7
364Q38.6Very low39.6Very low172 Ų172135.8 Ų135.880%0.80476%0.763SS**  cis-152.1-169.33.5-129.7179.8106.900108.5
365A38.9Very low39.1Very low72 Ų72135.9 Ų135.960%0.59577%0.766SS**  cis-160.4148.6-4.500000108
366Q39.4Very low39Very low188 Ų188137.8 Ų137.888%0.87977%0.767SS**  48.9142.591.1-64-171-0.500118.7
367A39.4Very low38.7Very low80 Ų80135.8 Ų135.866%0.66176%0.757SS**  cis-174.6174.1-16.700000113.2
368L35.5Very low38.6Very low152 Ų152138.4 Ų138.480%0.79676%0.761SS**  trans70160.6158.3-67.3158.6000118.3
369K37.5Very low38.3Very low171 Ų171136.2 Ų136.274%0.74376%0.757SS**  cis-148.6140.47.2-111.8141.8178.8-176.10108.4
370T36.9Very low38.3Very low118 Ų118133.7 Ų133.772%0.72476%0.759SS**  32.6146.997.264.80000116.9
371L35.4Very low38.4Very low152 Ų152132.6 Ų132.680%0.79676%0.759SS**  cis-160.3165.917.4-124.8154.5000108.5
372V40.6Very low38.3Very low131 Ų131132.3 Ų132.379%0.79476%0.755SS**  163.8156.3105.2164.50000107.9
373Q32.7Very low38.2Very low178 Ų178135.8 Ų135.883%0.83276%0.759SS**  trans-132.8-159.9-175.2-138.4-160.2-16.200112.9
374P45.4Very low37.7Very low101 Ų101138.1 Ų138.166%0.65676%0.763SS**  trans-119.4-163.8-137.843.3-23.9000114.4
375S34.6Very low37.5Very low109 Ų109140.5 Ų140.576%0.76277%0.765SS**  trans169.8-175.8135.250.50000114.1
376L37.2Very low37.3Very low145 Ų145141.9 Ų141.976%0.75977%0.766SS**  trans89.3115.6179.3-52.3178.1000114.7
377N34.5Very low37.1Very low137 Ų137143.1 Ų143.173%0.73376%0.764SS**  82.1141.656.6-70-11.8000112
378L39.3Very low36.8Very low166 Ų166142.1 Ų142.187%0.86976%0.762SS**  cis-159.7166.14.4-153.170.7000110
379G37.5Very low36.8Very low67 Ų67141.8 Ų141.869%0.69177%0.766SS**  trans155.5142.7163.900000115.8
380S42.2Very low36.7Very low121 Ų121139.3 Ų139.385%0.84677%0.766SS**  trans-139.6164.2-168.1-56.40000115.5
381P43.9Very low36.5Very low114 Ų114139.9 Ų139.974%0.7477%0.769SS**  trans-119.4173.8-162.643.1-33000117
382M35.7Very low36.8Very low148 Ų148138.4 Ų138.473%0.72977%0.769SS**  trans-157162.1165.7-77.8-162.3-72.800107.9
383R37.4Very low36.5Very low213 Ų213139.2 Ų139.280%0.80477%0.768SS**  cis-170.6174.8-13.5-101.3173.9-179164.11.6105.2
384M30.2Very low36.5Very low165 Ų165137.4 Ų137.481%0.81376%0.763SS**  cis162.3119.5-27.8-179.8-172.9-163.800108
385R33.6Very low35.9Very low222 Ų222136.6 Ų136.684%0.83877%0.765SS**  trans148.4131160.8-86.8164.1179-169.3-1.4109.2
386T33.8Very low35.7Very low101 Ų101137.7 Ų137.762%0.6276%0.761SS**  cis65.1136.743.965.70000114.2
387Y35.3Very low35.6Very low214 Ų214136.2 Ų136.284%0.83976%0.761SS**  cis-143.6178.519-52.7-101.6000109.8
388G34.4Very low35.4Very low60 Ų60133.4 Ų133.462%0.61976%0.764SS**  cis144.8141.1-9.200000114.2
389T34.3Very low34.8Very low145 Ų145133.9 Ų133.989%0.8976%0.764SS**  trans65.5159167.2610000118.3
390T34.8Very low34.7Very low118 Ų118137.7 Ų137.772%0.72477%0.773SS**  cis-148.5131.53.2290000108
391T34.6Very low34.6Very low130 Ų130138 Ų13880%0.79877%0.769SS**  72.5147.279.8560000118.5
392P41.9Very low34.3Very low121 Ų121138.4 Ų138.479%0.78677%0.772SS**  trans-132-173.2-150.445-28.1000116.8
393D33.2Very low34.4Very low148 Ų148135.1 Ų135.179%0.79178%0.776SS**  trans-161.2164.4173-115.8-24.8000110.3
394I32.9Very low34.2Very low141 Ų141134.8 Ų134.872%0.72378%0.781SS**  cis-158.7158.7-9.9-158.1166.2000111
395A32.4Very low34.5Very low83 Ų83136.3 Ų136.369%0.68679%0.786SS**  trans61.5174.2158.600000121.9
396L31.3Very low34.5Very low132 Ų132131.5 Ų131.569%0.69178%0.781SS**  -162.1170.3-81.7-119.186.1000109.4F223F223-L396 HydrophobicContact CE2-CD1 3.93Å; F223-L396 HydrophobicContact CE2-CD2 3.94Å; F223-L396 HydrophobicContact CE2-CG 4.08Å; F223-L396 HydrophobicContact CZ-CD1 4.02Å; F223-L396 HydrophobicContact CZ-CD2 4.01Å; F223-L396 HydrophobicContact CZ-CG 4.43Å
397P34.5Very low34.5Very low115 Ų115133.3 Ų133.375%0.74779%0.792SS**  trans-112179.9-160.443.1-38.4000116.9
398G30.9Very low34.4Very low77 Ų77126.8 Ų126.879%0.79479%0.791SS**  trans-122.3156.2167.800000113.9
399M25.8Very low34.1Very low177 Ų177133.4 Ų133.487%0.87281%0.808SS**  trans-127.8150.9-176.3-53172.4-74.300111.7
400V35.9Very low34Very low147 Ų147131.1 Ų131.189%0.89180%0.803SS**  trans-153.2144.5144.4176.60000109.7
401V38.8Very low33.9Very low126 Ų126133.4 Ų133.476%0.76481%0.809SS**  trans-155.5167.5-175.5-161.90000108.2
402P39.1Very low33.9Very low123 Ų123131.8 Ų131.880%0.79980%0.801SS**  -118-169.1-57.840.4-26000113.3
403G37.8Very low33.5Very low79 Ų79133 Ų13381%0.81481%0.806SS**  trans-132.8152.6164.300000113.8
404K32.2Very low33.5Very low207 Ų207133.8 Ų133.890%0.981%0.809SS**  trans-100.8151.6179.6-81.3-178.7174.5176.60112.6
405Q37.2Very low33.6Very low197 Ų197130.5 Ų130.592%0.92181%0.809SS**  trans-162.1179.6135-112.3174.625.200112.1
406T33.8Very low33.7Very low120 Ų120133.7 Ų133.774%0.73682%0.821SS**  trans-134.2134.4-145.9-21.30000115.3
407T32.3Very low33.8Very low139 Ų139132.3 Ų132.385%0.85383%0.828SS**  trans39.9123.4152.248.60000122.1
408G33.4Very low33.7Very low78 Ų78130.3 Ų130.380%0.80483%0.829SS**  trans-141.4145.2146.200000109.9
409M29.3Very low33.6Very low199 Ų199136.3 Ų136.398%0.9884%0.839SS**  trans-102.6142178.3-71-170-70.600111.5
410A32.7Very low33.8Very low96 Ų96132.6 Ų132.679%0.79384%0.836SS**  trans-136.9146.6173.500000110.8
411I32.3Very low33.6Very low167 Ų167134 Ų13486%0.85684%0.835SS**PPolyproline II helixtrans-101.1128.2-172.8-55.7169.4000109.5
412P34.8Very low33.2Very low96 Ų96134.7 Ų134.762%0.62384%0.842SS**PPolyproline II helixtrans-84.2130.5172.732.5-31.8000111.7
413T33.7Very low32.9Very low145 Ų145131.8 Ų131.889%0.8983%0.834SS**PPolyproline II helixtrans-77.6161.117339.10000112.7
414I32.2Very low32.6Very low166 Ų166135.2 Ų135.285%0.85183%0.831SS**PPolyproline II helixtrans-101.5128178-61.2174.6000109.2
415G35.1Very low32.7Very low71 Ų71130.7 Ų130.773%0.73283%0.825SS**PPolyproline II helixtrans-89.2145.5169.900000112.1
416T34.8Very low32.9Very low151 Ų151124.1 Ų124.193%0.92680%0.8SS**PPolyproline II helixtrans-86.1170.2-175.338.20000113.9
417A32.7Very low33.1Very low103 Ų103123.7 Ų123.785%0.85179%0.792SS**PPolyproline II helixtrans-93.3158.7-159.500000115.8
418G32Very low33.6Very low73 Ų73122.6 Ų122.675%0.75378%0.781SS**PPolyproline II helixtrans-98.4150.615600000110.9
419M29Very low33.9Very low203 Ų203122.2 Ų122.2100%176%0.763SS**PPolyproline II helixtrans-78.9143.2-171.6-53.3-172.7-143.400113.3
420A30Very low34.4Very low98 Ų98115.6 Ų115.681%0.8175%0.746SS**  trans-148.4162.3168.900000110.4
421M32.2Very low34.9Very low177 Ų177118.3 Ų118.387%0.87274%0.742SS**  trans-71.9162.9-165.9-69.5-177.8175.300115.1G423M421-G423 PolarHBondContact O-N 3.07Å
422P29.7Very low35.5Very low141 Ų141114 Ų11492%0.91673%0.727SS**SBendtrans-72.697.2179.7-10.927.6000111.8
423G33.1Very low35.9Very low62 Ų62113.5 Ų113.564%0.63973%0.725SS**SBendtrans155.1121.3173.800000112.3M421M421-G423 PolarHBondContact O-N 3.07Å
424M31.6Very low36.3Very low150 Ų150109.4 Ų109.474%0.73971%0.712SS**  trans51.876.4178.4-65.2-168172.900115.8P453M424-P453 HydrophobicContact SD-CG 3.9Å
425S35.8Very low36.4Very low112 Ų112107 Ų10778%0.78370%0.704SS**  trans-58.9132.6169.1-49.20000111.9
426P39.6Very low36.6Very low60 Ų60105.7 Ų105.739%0.3969%0.691SS.*  trans-68.9140.117828.2-34.7000111.6N428P426-N428 PolarHBondContact O-N 2.79Å
427I40Very low36.5Very low110 Ų110105 Ų10556%0.56468%0.681SS**EExtended strand (participates in β ladder)trans-82.2106.6178.3-59.6175.8000108.5V429 I451I427-V429 HydrophobicContact CG2-CG2 4.27Å; I427-I451 HydrophobicContact CB-CB 4.46Å; I427-I451 PolarHBondContact N-O 2.85Å; I427-I451 VanDerWaalsContact N-O 3.15Å; I427-I451 PolarHBondContact O-N 3Å
428N40.9Very low36.5Very low117 Ų117104.3 Ų104.363%0.62668%0.684SS**EExtended strand (participates in β ladder)trans-94.4128.7174.5-77.2-56.3000111.2P426 S450P426-N428 PolarHBondContact O-N 2.79Å; N428-S450 WeakPolarHBondContact OD1-CB 3.44Å
429V40.7Very low36.9Very low70 Ų70104.7 Ų104.742%0.42469%0.688SS.*EExtended strand (participates in β ladder)trans-126.6102.1172.4-174.40000108.8I427 T449I427-V429 HydrophobicContact CG2-CG2 4.27Å; V429-T449 PolarHBondContact N-O 2.96Å; V429-T449 PolarHBondContact O-N 3.04Å
430G39.8Very low37.1Very low60 Ų60101.9 Ų101.962%0.61967%0.674SS**EExtended strand (participates in β ladder)trans-105.8148.2175.800000112.8A447G430-A447 CarbonylContact C-O 3.46Å; G430-A447 WeakPolarHBondContact CA-O 3.2Å
431Q43.9Very low37.6Very low152 Ų152102.5 Ų102.571%0.7167%0.67SS**EExtended strand (participates in β ladder)trans-133.1129.9157.4-70.2-167.3-73.600109.7A447Q431-A447 PolarHBondContact N-O 2.95Å; Q431-A447 PolarHBondContact O-N 2.86Å
432S44.5Very low38.3Very low78 Ų7898 Ų9855%0.54565%0.648SS.*EExtended strand (participates in β ladder)trans-92.4147.3162.349.10000110Q445S432-Q445 CarbonylContact C-O 3.52Å; S432-Q445 WeakPolarHBondContact CA-O 3.41Å
433S43.5Very low38.6Very low85 Ų8597.8 Ų97.859%0.59463%0.634SS**EExtended strand (participates in β ladder)trans-148.8127.7170.8-65.30000107.9Q445S433-Q445 PolarHBondContact N-O 2.7Å; S433-Q445 PolarHBondContact O-N 2.92Å
434G41Very low38.9Very low59 Ų5996.2 Ų96.261%0.60862%0.617SS**EExtended strand (participates in β ladder)trans-152.2157.2-176.900000112.8F443G434-F443 CarbonylContact C-O 3.58Å; G434-F443 WeakPolarHBondContact CA-O 3.42Å
435V35Very low39.6Very low114 Ų11495.2 Ų95.269%0.69161%0.61SS**EExtended strand (participates in β ladder)trans-123.3133.1177.6-178.20000107.8I442 F443V435-I442 PolarHBondContact O-N 2.88Å; V435-I442 VanDerWaalsContact O-N 3.08Å; V435-F443 PolarHBondContact N-O 2.8Å; V435-F443 PolarHBondContact O-N 2.89Å; V435-F443 VanDerWaalsContact O-N 3.11Å
436G38.8Very low40.3Very low44 Ų4493.4 Ų93.445%0.45460%0.595SS.*EExtended strand (participates in β ladder)trans-143.8147.5-179.300000111.1M440G436-M440 WeakPolarHBondContact CA-O 3.17Å
437L31.8Very low40.9Very low137 Ų13792.5 Ų92.572%0.71759%0.593SS**EExtended strand (participates in β ladder)trans-107.1144.3170.4-76.8159.2000108.1G439 M440 I442L437-G439 VanDerWaalsContact C-N 3.26Å; L437-G439 PolarHBondContact O-N 3.25Å; L437-G439 VanDerWaalsContact O-N 3.13Å; L437-M440 PolarHBondContact N-O 3.15Å; L437-M440 PolarHBondContact O-N 2.86Å; L437-M440 VanDerWaalsContact O-N 3.14Å; L437-I442 HydrophobicContact CB-CD1 3.96Å; L437-I442 HydrophobicContact CD1-CD1 4.15Å; L437-I442 HydrophobicContact CG-CD1 4.36Å
438G34Very low41.2Very low88 Ų8888.9 Ų88.991%0.90758%0.583SS**THydrogen-bonded Turntrans5928.4170.900000116M440G438-M440 VanDerWaalsContact C-N 3.33Å; G438-M440 PolarHBondContact O-N 3.01Å
439G39.7Very low41.6Very low82 Ų8285.1 Ų85.185%0.84556%0.564SS**THydrogen-bonded Turntrans83-1.3179.900000115.6L437L437-G439 VanDerWaalsContact C-N 3.26Å; L437-G439 PolarHBondContact O-N 3.25Å; L437-G439 VanDerWaalsContact O-N 3.13Å
440M32.8Very low41.9Very low144 Ų14483 Ų8371%0.70955%0.552SS**EExtended strand (participates in β ladder)trans-101.4128.9174-64.3-171.3-18000111.2G436 L437 G438 I442G436-M440 WeakPolarHBondContact CA-O 3.17Å; L437-M440 PolarHBondContact N-O 3.15Å; L437-M440 PolarHBondContact O-N 2.86Å; L437-M440 VanDerWaalsContact O-N 3.14Å; G438-M440 VanDerWaalsContact C-N 3.33Å; G438-M440 PolarHBondContact O-N 3.01Å; M440-I442 PolarHBondContact O-N 3.23Å
441P41.7Very low42.4Very low111 Ų11183.4 Ų83.472%0.72154%0.539SS*.EExtended strand (participates in β ladder)trans-75.3109.8175.430-32.4000110.2
442I47.3Very low42.9Very low81 Ų8178.7 Ų78.742%0.41552%0.519SS..EExtended strand (participates in β ladder)trans-84.8-40.2-176.4-60177.5000110.6V435 L437 M440V435-I442 PolarHBondContact O-N 2.88Å; V435-I442 VanDerWaalsContact O-N 3.08Å; L437-I442 HydrophobicContact CB-CD1 3.96Å; L437-I442 HydrophobicContact CD1-CD1 4.15Å; L437-I442 HydrophobicContact CG-CD1 4.36Å; M440-I442 PolarHBondContact O-N 3.23Å
443F35.8Very low42.9Very low138 Ų13879.2 Ų79.261%0.60552%0.521SS*.EExtended strand (participates in β ladder)trans-131.8130171.8-73.5-79.5000110.7G434 V435G434-F443 CarbonylContact C-O 3.58Å; G434-F443 WeakPolarHBondContact CA-O 3.42Å; V435-F443 PolarHBondContact N-O 2.8Å; V435-F443 PolarHBondContact O-N 2.89Å; V435-F443 VanDerWaalsContact O-N 3.11Å
444G38.2Very low42.9Very low28 Ų2881.9 Ų81.929%0.28953%0.527SS..EExtended strand (participates in β ladder)trans-129130.4170.800000111.8W463 G464G444-W463 WeakPolarHBondContact O-CA 3.26Å; G444-G464 PolarHBondContact N-O 2.92Å; G444-G464 PolarHBondContact O-N 2.89Å
445Q46.8Very low43.4Very low129 Ų12988.1 Ų88.160%0.60353%0.532SS*.EExtended strand (participates in β ladder)trans-110.4130.7166-65.5-17211.500109.7S432 S433S432-Q445 CarbonylContact C-O 3.52Å; S432-Q445 WeakPolarHBondContact CA-O 3.41Å; S433-Q445 PolarHBondContact N-O 2.7Å; S433-Q445 PolarHBondContact O-N 2.92Å
446T50.2Low44Very low75 Ų7582.8 Ų82.846%0.4650%0.5SS..EExtended strand (participates in β ladder)trans-118.7105.3174.819.30000109.4R461 G462T446-R461 CarbonylContact O-C 3.52Å; T446-R461 WeakPolarHBondContact O-CA 3.19Å; T446-G462 PolarHBondContact N-O 2.94Å; T446-G462 PolarHBondContact O-N 2.96Å
447A52.2Low44.5Very low41 Ų4183.2 Ų83.234%0.33949%0.494SS..EExtended strand (participates in β ladder)trans-96.8111.8175.700000109.8G430 Q431 G460G430-A447 CarbonylContact C-O 3.46Å; G430-A447 WeakPolarHBondContact CA-O 3.2Å; Q431-A447 PolarHBondContact N-O 2.95Å; Q431-A447 PolarHBondContact O-N 2.86Å; A447-G460 WeakPolarHBondContact CA-O 3.35Å
448G46.9Very low45.5Very low34 Ų3479.4 Ų79.435%0.35148%0.479SS..EExtended strand (participates in β ladder)trans-109.7136.9177.300000111.7G459 G460G448-G459 WeakPolarHBondContact O-CA 3.35Å; G448-G460 PolarHBondContact N-O 2.87Å; G448-G460 PolarHBondContact O-N 3.35Å
449T48.5Very low46.7Very low37 Ų3776.9 Ų76.923%0.22745%0.453CS..EExtended strand (participates in β ladder)trans-123.5122.2167.6-35.70000108.4V429 V457 S458V429-T449 PolarHBondContact N-O 2.96Å; V429-T449 PolarHBondContact O-N 3.04Å; T449-V457 HydrophobicContact CG2-CG1 3.91Å; T449-S458 WeakPolarHBondContact CA-O 3.36Å
450S48.2Very low47.2Very low26 Ų2673.4 Ų73.418%0.18242%0.417CS..EExtended strand (participates in β ladder)trans-106.6139.1169.696.60000109.9N428 S458N428-S450 WeakPolarHBondContact OD1-CB 3.44Å; S450-S458 PolarHBondContact N-O 2.82Å; S450-S458 PolarHBondContact O-N 2.92Å; S450-S458 PolarHBondContact OG-OG 2.9Å
451I49.7Very low48.2Very low69 Ų6972.9 Ų72.935%0.35441%0.407SS..EExtended strand (participates in β ladder)trans-117.5116.1174.4-56.8176.2000107.1I427 V457I427-I451 HydrophobicContact CB-CB 4.46Å; I427-I451 PolarHBondContact N-O 2.85Å; I427-I451 VanDerWaalsContact N-O 3.15Å; I427-I451 PolarHBondContact O-N 3Å; I451-V457 HydrophobicContact CG1-CG1 4.45Å; I451-V457 HydrophobicContact CG1-CG2 4.39Å; I451-V457 HydrophobicContact CG2-CG2 4.45Å
452N53.8Low48.5Very low53 Ų5368 Ų6828%0.28338%0.378SS..EExtended strand (participates in β ladder)trans-113.7118172.7-176.1-34.5000108.5L454 R455 G456N452-L454 PolarHBondContact O-N 2.88Å; N452-L454 PolarHBondContact OD1-N 2.89Å; N452-R455 HydrophobicContact CB-CB 3.86Å; N452-R455 VanDerWaalsContact CG-CB 3.46Å; N452-R455 PolarHBondContact O-N 2.78Å; N452-R455 PolarHBondContact OD1-N 2.92Å; N452-G456 PolarHBondContact N-O 2.9Å; N452-G456 VanDerWaalsContact N-O 3.1Å; N452-G456 PolarHBondContact O-N 2.89Å
453P44.4Very low48.7Very low89 Ų8970.6 Ų70.658%0.57838%0.382SS*.THydrogen-bonded Turntrans-62.5-17.2-17626.5-35000114M424M424-P453 HydrophobicContact SD-CG 3.9Å
454L45.2Very low49.2Very low140 Ų14065.3 Ų65.373%0.73337%0.367SS*.THydrogen-bonded Turntrans-107-5.8178.2-60174.5000113.6N452N452-L454 PolarHBondContact O-N 2.88Å; N452-L454 PolarHBondContact OD1-N 2.89Å
455R49.9Very low49.3Very low190 Ų19065.7 Ų65.772%0.71737%0.367SS*.THydrogen-bonded Turntrans-147.927.7-162.8-137.9-178.2-165.4-172.75.9115.3N452N452-R455 HydrophobicContact CB-CB 3.86Å; N452-R455 VanDerWaalsContact CG-CB 3.46Å; N452-R455 PolarHBondContact O-N 2.78Å; N452-R455 PolarHBondContact OD1-N 2.92Å
456G47.5Very low49.7Very low2 Ų262.7 Ų62.72%0.02137%0.37CS..EExtended strand (participates in β ladder)trans83.8-171.8172.100000116.2N452 V476N452-G456 PolarHBondContact N-O 2.9Å; N452-G456 VanDerWaalsContact N-O 3.1Å; N452-G456 PolarHBondContact O-N 2.89Å; G456-V476 WeakPolarHBondContact CA-O 3.49Å
457V50.1Low49.5Very low54 Ų5465.8 Ų65.833%0.32739%0.392SS..EExtended strand (participates in β ladder)trans-115118.8172.3179.80000108.2T449 I451 G475 V476 F478T449-V457 HydrophobicContact CG2-CG1 3.91Å; I451-V457 HydrophobicContact CG1-CG1 4.45Å; I451-V457 HydrophobicContact CG1-CG2 4.39Å; I451-V457 HydrophobicContact CG2-CG2 4.45Å; V457-G475 WeakPolarHBondContact O-CA 3.36Å; V457-V476 PolarHBondContact N-O 3.13Å; V457-V476 PolarHBondContact O-N 3.25Å; V457-F478 HydrophobicContact CG2-CE2 4.33Å
458S52.2Low48.4Very low56 Ų5667.8 Ų67.839%0.39240%0.4SS..EExtended strand (participates in β ladder)trans-109.5125.9178.2560000111.3T449 S450T449-S458 WeakPolarHBondContact CA-O 3.36Å; S450-S458 PolarHBondContact N-O 2.82Å; S450-S458 PolarHBondContact O-N 2.92Å; S450-S458 PolarHBondContact OG-OG 2.9Å
459G59Low48Very low35 Ų3571.1 Ų71.136%0.36142%0.418SS..EExtended strand (participates in β ladder)trans-118.4118.2-17900000111.3G448 G473 G474G448-G459 WeakPolarHBondContact O-CA 3.35Å; G459-G473 CarbonylContact O-C 3.6Å; G459-G473 WeakPolarHBondContact O-CA 3.38Å; G459-G474 PolarHBondContact N-O 3.3Å; G459-G474 PolarHBondContact O-N 2.95Å
460G51.9Low47.3Very low9 Ų970.2 Ų70.29%0.09342%0.416CS..EExtended strand (participates in β ladder)trans-118.9145.8-179.500000113.2A447 G448A447-G460 WeakPolarHBondContact CA-O 3.35Å; G448-G460 PolarHBondContact N-O 2.87Å; G448-G460 PolarHBondContact O-N 3.35Å
461R54Low46.7Very low133 Ų13376.7 Ų76.750%0.50244%0.441SS..EExtended strand (participates in β ladder)trans-116.5112.9162.7-65.7-172-130.1-143.52.5109.1N214 T446 S472N214-R461 VanDerWaalsContact OD1-CZ 3.32Å; N214-R461 PolarHBondContact OD1-NH1 2.03Å; N214-R461 PolarHBondContact OD1-NH2 3.24Å; T446-R461 CarbonylContact O-C 3.52Å; T446-R461 WeakPolarHBondContact O-CA 3.19Å; R461-S472 PolarHBondContact N-O 3.08Å; R461-S472 PolarHBondContact O-N 2.92Å
462G47.8Very low46.2Very low10 Ų1077.5 Ų77.510%0.10345%0.453CS..EExtended strand (participates in β ladder)trans-77.6141.915700000110.1T446 G470T446-G462 PolarHBondContact N-O 2.94Å; T446-G462 PolarHBondContact O-N 2.96Å; G462-G470 CarbonylContact C-O 3.45Å; G462-G470 WeakPolarHBondContact CA-O 3.42Å
463W51.7Low45.7Very low135 Ų13577.3 Ų77.351%0.51146%0.464SS..EExtended strand (participates in β ladder)trans-126.8141.8163.459.6-85.5000109.1G444 V468 S469 G470G444-W463 WeakPolarHBondContact O-CA 3.26Å; W463-V468 HydrophobicContact CH2-CG1 4.32Å; W463-V468 HydrophobicContact CZ3-CG1 4.41Å; W463-S469 WeakPolarHBondContact O-CA 2.99Å; W463-G470 VanDerWaalsContact CD1-O 3.27Å; W463-G470 PolarHBondContact N-O 3.11Å; W463-G470 PolarHBondContact O-N 2.85Å
464G44.4Very low45.4Very low27 Ų2775.8 Ų75.828%0.27846%0.464SS..EExtended strand (participates in β ladder)trans-130.3134.6176.800000111.1G444G444-G464 PolarHBondContact N-O 2.92Å; G444-G464 PolarHBondContact O-N 2.89Å
465A41.4Very low45.2Very low36 Ų3671.9 Ų71.930%0.29846%0.457SS..EExtended strand (participates in β ladder)trans-142.3100.7176.300000108.8V468A465-V468 PolarHBondContact N-O 2.91Å; A465-V468 PolarHBondContact O-N 2.97Å
466G55.7Low44.9Very low65 Ų6567.3 Ų67.367%0.6745%0.45SS*.THydrogen-bonded Turntrans59.6-134.5-172.800000112.2V468G466-V468 PolarHBondContact O-N 3.24Å
467P44.7Very low44.5Very low140 Ų14072.3 Ų72.391%0.90948%0.477SS*.THydrogen-bonded Turntrans-73.8-6.8179.632.6-36.2000113.8
468V29.3Very low44.3Very low83 Ų8374.5 Ų74.550%0.50348%0.482SS..EExtended strand (participates in β ladder)trans-95127.8-178.7-173.30000109.7W463 A465 G466W463-V468 HydrophobicContact CH2-CG1 4.32Å; W463-V468 HydrophobicContact CZ3-CG1 4.41Å; A465-V468 PolarHBondContact N-O 2.91Å; A465-V468 PolarHBondContact O-N 2.97Å; G466-V468 PolarHBondContact O-N 3.24Å
469S38.4Very low43.5Very low104 Ų10475 Ų7573%0.72750%0.496SS*.EExtended strand (participates in β ladder)trans-127.4141.6169.266.10000110.6W463W463-S469 WeakPolarHBondContact O-CA 2.99Å
470G33.7Very low42.3Very low19 Ų1977 Ų7720%0.19652%0.516CS..EExtended strand (participates in β ladder)trans-133.3140.6179.400000110.9G462 W463G462-G470 CarbonylContact C-O 3.45Å; G462-G470 WeakPolarHBondContact CA-O 3.42Å; W463-G470 VanDerWaalsContact CD1-O 3.27Å; W463-G470 PolarHBondContact N-O 3.11Å; W463-G470 PolarHBondContact O-N 2.85Å
471F36.9Very low41.6Very low161 Ų16181 Ų8171%0.70654%0.535SS*.EExtended strand (participates in β ladder)trans-117.2126.9177.1-176.2-91.9000110.1
472S38.3Very low40.7Very low86 Ų8680.4 Ų80.460%0.60155%0.548SS*.EExtended strand (participates in β ladder)trans-126.1120.7173.4-179.40000108.7R461R461-S472 PolarHBondContact N-O 3.08Å; R461-S472 PolarHBondContact O-N 2.92Å
473G42.5Very low40Very low50 Ų5087.4 Ų87.452%0.51558%0.576SS.*EExtended strand (participates in β ladder)trans-144.7147.1-176.100000112.9G459G459-G473 CarbonylContact O-C 3.6Å; G459-G473 WeakPolarHBondContact O-CA 3.38Å
474G38.5Very low39.1Very low56 Ų5689.9 Ų89.958%0.57760%0.598SS**EExtended strand (participates in β ladder)trans-123.5135.8172.600000109.7G459G459-G474 PolarHBondContact N-O 3.3Å; G459-G474 PolarHBondContact O-N 2.95Å
475G40.7Very low38.6Very low58 Ų5896 Ų9660%0.59866%0.661SS**EExtended strand (participates in β ladder)trans-111.7145.4172.400000111V457V457-G475 WeakPolarHBondContact O-CA 3.36Å
476V44.3Very low38.5Very low94 Ų9499 Ų9957%0.5768%0.679SS**EExtended strand (participates in β ladder)trans-98.9107.1157.4-178.80000105.8G456 V457 F478G456-V476 WeakPolarHBondContact CA-O 3.49Å; V457-V476 PolarHBondContact N-O 3.13Å; V457-V476 PolarHBondContact O-N 3.25Å; V476-F478 HydrophobicContact CG1-CD1 4.27Å; V476-F478 HydrophobicContact CG1-CE1 3.72Å; V476-F478 HydrophobicContact CG1-CZ 4.31Å
477D38.6Very low37.6Very low107 Ų107100.8 Ų100.857%0.57268%0.68SS**  trans-76.9144.9173.6-153.3-27.2000109.9G479D477-G479 PolarHBondContact OD1-N 3.42Å
478F46.1Very low37.2Very low101 Ų10198.6 Ų98.644%0.44367%0.667SS.*  trans-111.92.3173-63.2-42.1000112.4V457 V476 G480 I481V457-F478 HydrophobicContact CG2-CE2 4.33Å; V476-F478 HydrophobicContact CG1-CD1 4.27Å; V476-F478 HydrophobicContact CG1-CE1 3.72Å; V476-F478 HydrophobicContact CG1-CZ 4.31Å; F478-G480 PolarHBondContact O-N 3.27Å; F478-I481 HydrophobicContact CB-CD1 4.45Å; F478-I481 HydrophobicContact CD1-CD1 4.36Å; F478-I481 PolarHBondContact O-N 3.14Å
479G35.1Very low37.7Very low66 Ų6699.5 Ų99.568%0.6868%0.677SS**THydrogen-bonded Turntrans-60.295.4170.100000111.5D477D477-G479 PolarHBondContact OD1-N 3.42Å
480G35Very low37.6Very low76 Ų7699.3 Ų99.378%0.78467%0.674SS**THydrogen-bonded Turntrans149.6-15.9-17600000114.4F478 P482F478-G480 PolarHBondContact O-N 3.27Å; G480-P482 WeakPolarHBondContact O-CD 3.03Å
481I36.3Very low37.9Very low95 Ų95104.6 Ų104.649%0.48771%0.705SS.*SBendtrans-84.9118.9172.1-45.2175000109F478 F483F478-I481 HydrophobicContact CB-CD1 4.45Å; F478-I481 HydrophobicContact CD1-CD1 4.36Å; F478-I481 PolarHBondContact O-N 3.14Å; I481-F483 HydrophobicContact CB-CD2 4.13Å; I481-F483 HydrophobicContact CB-CE2 3.95Å; I481-F483 HydrophobicContact CD1-CE2 4.48Å; I481-F483 HydrophobicContact CG2-CD2 3.79Å; I481-F483 HydrophobicContact CG2-CE2 3.34Å; I481-F483 HydrophobicContact CG2-CZ 3.9Å; I481-F483 PolarHBondContact O-N 3.46Å
482P34.5Very low37.9Very low119 Ų119100.6 Ų100.677%0.77371%0.705SS**  trans-75.896.1-179.430.3-34.1000110.9G480G480-P482 WeakPolarHBondContact O-CD 3.03Å
483F33.8Very low37.9Very low158 Ų158101.7 Ų101.769%0.69371%0.713SS**  trans-111.8137.8161.9-66.1-71.1000108.5I481I481-F483 HydrophobicContact CB-CD2 4.13Å; I481-F483 HydrophobicContact CB-CE2 3.95Å; I481-F483 HydrophobicContact CD1-CE2 4.48Å; I481-F483 HydrophobicContact CG2-CD2 3.79Å; I481-F483 HydrophobicContact CG2-CE2 3.34Å; I481-F483 HydrophobicContact CG2-CZ 3.9Å; I481-F483 PolarHBondContact O-N 3.46Å
484L32.9Very low37.5Very low186 Ų186106 Ų10697%0.97473%0.73SS**  trans73.189.6-170.2-51.7173000113.8
485G34.8Very low37.5Very low156 Ų156110.5 Ų110.5100%1.60874%0.744SS**  trans-175.60173.100000109.8

Retrieved 485 of 485 residues in 1004.5 ms (Link to these results)