A0A3B3TS58_9TELE Loading...

Protein shisa-7-like

AlphaFold DB , UniProt , Accession A0A3B3TS58, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 705 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
1M44.4Very low58.2Low238 Ų238119 Ų119100%1.17262%0.624SS**  0134.20-75.8158.1157.400108.2
2T41.3Very low59.1Low84 Ų84117.1 Ų117.152%0.51562%0.62SS.*  trans-84.3149.5-175.645.40000111.9T4 T5T2-T4 PolarHBondContact O-N 3.17Å; T2-T4 PolarHBondContact OG1-OG1 3.44Å; T2-T5 PolarHBondContact O-N 3.49Å; T2-T5 VanDerWaalsContact O-N 3.09Å; T2-T5 PolarHBondContact O-OG1 3.1Å
3P52Low59.4Low108 Ų108112.9 Ų112.970%0.70161%0.607SS**Hα-helixtrans-62.7-12.9-177.225.1-35000114.1
4T54.1Low59.7Low88 Ų88111.9 Ų111.954%0.5460%0.6SS.*Hα-helixtrans-71.9-22.6175.352.40000114.2T2 R8T2-T4 PolarHBondContact O-N 3.17Å; T2-T4 PolarHBondContact OG1-OG1 3.44Å; T4-R8 PolarHBondContact O-N 2.91Å
5T58.6Low59.3Low69 Ų69113 Ų11342%0.42361%0.605SS.*Hα-helixtrans-76-39.4176.3590000111.4T2 L7 R8 V9T2-T5 PolarHBondContact O-N 3.49Å; T2-T5 VanDerWaalsContact O-N 3.09Å; T2-T5 PolarHBondContact O-OG1 3.1Å; T5-L7 PolarHBondContact O-N 3.11Å; T5-R8 PolarHBondContact O-N 3.27Å; T5-R8 VanDerWaalsContact O-N 3.14Å; T5-V9 WeakPolarHBondContact O-CG2 3.34Å; T5-V9 PolarHBondContact O-N 3.45Å
6Y60.1Low58.7Low170 Ų170110.9 Ų110.967%0.66760%0.602SS**Hα-helixtrans-62.7-42.8-178.8-155.3-96.7000112R8 V9 L10Y6-R8 VanDerWaalsContact C-N 3.34Å; Y6-R8 PolarHBondContact O-N 3.25Å; Y6-V9 PolarHBondContact O-N 2.84Å; Y6-L10 HydrophobicContact CD1-CD1 3.85Å; Y6-L10 HydrophobicContact CE1-CD1 3.71Å; Y6-L10 HydrophobicContact CE1-CG 4.47Å; Y6-L10 WeakPolarHBondContact O-CB 3.47Å; Y6-L10 PolarHBondContact O-N 3.45Å
7L62.5Low58.4Low126 Ų126111.9 Ų111.966%0.6661%0.606SS**Hα-helixtrans-62.9-35.9173.7-85.2159.5000113.4T5 A11T5-L7 PolarHBondContact O-N 3.11Å; L7-A11 WeakPolarHBondContact O-CB 3.32Å; L7-A11 PolarHBondContact O-N 3.49Å
8R61.8Low57.9Low194 Ų194116.4 Ų116.473%0.73262%0.619SS**Hα-helixtrans-73.2-39175.6-73.9-173176.6-156.8-0.4112.3T4 T5 Y6 A11 V12T4-R8 PolarHBondContact O-N 2.91Å; T5-R8 PolarHBondContact O-N 3.27Å; T5-R8 VanDerWaalsContact O-N 3.14Å; Y6-R8 VanDerWaalsContact C-N 3.34Å; Y6-R8 PolarHBondContact O-N 3.25Å; R8-A11 PolarHBondContact O-N 3Å; R8-V12 WeakPolarHBondContact O-CB 3.47Å; R8-V12 VanDerWaalsContact O-CG2 3.29Å; R8-V12 WeakPolarHBondContact O-CG2 3.41Å; R8-V12 PolarHBondContact O-N 3.42Å
9V69.1Low57.2Low98 Ų98114.5 Ų114.559%0.59462%0.621SS**Hα-helixtrans-65.1-42.9174.9172.50000110.7T5 Y6 V12 S13T5-V9 WeakPolarHBondContact O-CG2 3.34Å; T5-V9 PolarHBondContact O-N 3.45Å; Y6-V9 PolarHBondContact O-N 2.84Å; V9-V12 PolarHBondContact O-N 3.2Å; V9-S13 WeakPolarHBondContact O-CB 3.16Å; V9-S13 PolarHBondContact O-N 3.05Å
10L67.9Low56.2Low82 Ų82112.2 Ų112.243%0.42962%0.619SS.*Hα-helixtrans-61.4-46.2172.9-98.7164.8000112.4Y6 V12 S13 L14Y6-L10 HydrophobicContact CD1-CD1 3.85Å; Y6-L10 HydrophobicContact CE1-CD1 3.71Å; Y6-L10 HydrophobicContact CE1-CG 4.47Å; Y6-L10 WeakPolarHBondContact O-CB 3.47Å; Y6-L10 PolarHBondContact O-N 3.45Å; L10-V12 PolarHBondContact O-N 3.5Å; L10-S13 PolarHBondContact O-N 3.35Å; L10-L14 WeakPolarHBondContact O-CB 3.05Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.5Å; L10-L14 PolarHBondContact O-N 3.48Å
11A68.5Low55.5Low52 Ų52112.2 Ų112.243%0.4362%0.624SS.*Hα-helixtrans-62.3-41.7178.600000112.6L7 R8 L15L7-A11 WeakPolarHBondContact O-CB 3.32Å; L7-A11 PolarHBondContact O-N 3.49Å; R8-A11 PolarHBondContact O-N 3Å; A11-L15 WeakPolarHBondContact O-CB 3.36Å; A11-L15 PolarHBondContact O-N 3.35Å; A11-L15 VanDerWaalsContact O-N 3.1Å
12V68.4Low55.2Low96 Ų96109.2 Ų109.258%0.58261%0.612SS**Hα-helixtrans-70.5-40.1176.9172.30000111.4R8 V9 L10 L15 S16R8-V12 WeakPolarHBondContact O-CB 3.47Å; R8-V12 VanDerWaalsContact O-CG2 3.29Å; R8-V12 WeakPolarHBondContact O-CG2 3.41Å; R8-V12 PolarHBondContact O-N 3.42Å; V9-V12 PolarHBondContact O-N 3.2Å; L10-V12 PolarHBondContact O-N 3.5Å; V12-L15 PolarHBondContact O-N 3.4Å; V12-S16 PolarHBondContact O-N 2.98Å
13S63.8Low54.9Low63 Ų63111.4 Ų111.444%0.44163%0.625SS.*Hα-helixtrans-65.9-39.8178-177.20000112.2V9 L10 S16 L17V9-S13 WeakPolarHBondContact O-CB 3.16Å; V9-S13 PolarHBondContact O-N 3.05Å; L10-S13 PolarHBondContact O-N 3.35Å; S13-S16 PolarHBondContact O-N 3.38Å; S13-L17 PolarHBondContact O-N 3.35Å; S13-L17 VanDerWaalsContact O-N 3.12Å
14L63.7Low54Low98 Ų98111.6 Ų111.651%0.51363%0.629SS.*Hα-helixtrans-65.6-37.2172.2-72168.9000112.1L10 L17 F18L10-L14 WeakPolarHBondContact O-CB 3.05Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.5Å; L10-L14 PolarHBondContact O-N 3.48Å; L14-L17 PolarHBondContact O-N 3.41Å; L14-F18 WeakPolarHBondContact O-CD2 3.26Å
15L52.9Low52.9Low129 Ų129112.2 Ų112.268%0.67564%0.643SS**Hα-helixtrans-66.7-36.8173.7-100.4149.5000112.9A11 V12 F18A11-L15 WeakPolarHBondContact O-CB 3.36Å; A11-L15 PolarHBondContact O-N 3.35Å; A11-L15 VanDerWaalsContact O-N 3.1Å; V12-L15 PolarHBondContact O-N 3.4Å; L15-F18 PolarHBondContact O-N 3.43Å
16S49.6Very low51.6Low80 Ų80115.1 Ų115.156%0.55966%0.661SS**Hα-helixtrans-66.4-34.2173.2-89.20000113.3V12 S13 F18 A19V12-S16 PolarHBondContact O-N 2.98Å; S13-S16 PolarHBondContact O-N 3.38Å; S16-F18 PolarHBondContact O-N 3.42Å; S16-A19 PolarHBondContact O-N 3.49Å; S16-A19 VanDerWaalsContact O-N 3.09Å
17L54.3Low50.1Low127 Ų127115.6 Ų115.667%0.66567%0.669SS**Hα-helixtrans-65.7-23.5177-82.3159.6000113.4S13 L14S13-L17 PolarHBondContact O-N 3.35Å; S13-L17 VanDerWaalsContact O-N 3.12Å; L14-L17 PolarHBondContact O-N 3.41Å
18F49Very low48.6Very low193 Ų193115.4 Ų115.485%0.84668%0.675SS**THydrogen-bonded Turntrans-85.9-3.3173.3-84.4-76.8000114.3L14 L15 S16L14-F18 WeakPolarHBondContact O-CD2 3.26Å; L15-F18 PolarHBondContact O-N 3.43Å; S16-F18 PolarHBondContact O-N 3.42Å
19A44.7Very low46.9Very low80 Ų80112 Ų11266%0.66168%0.681SS**SBendtrans-113.5-0.5-173.300000114.6S16S16-A19 PolarHBondContact O-N 3.49Å; S16-A19 VanDerWaalsContact O-N 3.09Å
20A37.5Very low45Very low69 Ų69112.5 Ų112.557%0.5769%0.689SS**  trans-94.9121.8179.400000111.4L22A20-L22 PolarHBondContact O-N 3.31Å
21P41.8Very low43.1Very low113 Ų113114 Ų11473%0.73471%0.707SS**  trans-72.6119.4167.230-31.2000109T23P21-T23 PolarHBondContact O-N 3.39Å
22L37.6Very low41.4Very low175 Ų175116.9 Ų116.992%0.91672%0.721SS**  trans-73.495.4174.7-78.8164.6000109.9A20 S24A20-L22 PolarHBondContact O-N 3.31Å; L22-S24 PolarHBondContact O-N 3.36Å
23T35.6Very low39.9Very low129 Ų129118 Ų11879%0.79173%0.73SS**  trans-74.3106.1167.153.90000109.3P21 A25P21-T23 PolarHBondContact O-N 3.39Å; T23-A25 PolarHBondContact O-N 3.36Å; T23-A25 VanDerWaalsContact O-N 3.13Å
24S31.3Very low38.3Very low112 Ų112120.6 Ų120.678%0.78375%0.745SS**  trans-75.796175.654.60000111.1L22L22-S24 PolarHBondContact O-N 3.36Å
25A31.4Very low36.7Very low101 Ų101124.7 Ų124.784%0.83576%0.762SS**  trans-79.8117.3159.300000108.2T23T23-A25 PolarHBondContact O-N 3.36Å; T23-A25 VanDerWaalsContact O-N 3.13Å
26V31.3Very low35.6Very low130 Ų130127.2 Ų127.279%0.78877%0.77SS**  trans-105.6117.5174.6175.70000108.4
27E28.7Very low34.7Very low181 Ų181129.9 Ų129.985%0.84678%0.782SS**  trans-94.4126.2174.1-171.1174.9-166.900108.8S29E27-S29 PolarHBondContact O-N 3.3Å
28P31.3Very low33.6Very low122 Ų122130.8 Ų130.879%0.79279%0.788SS**  trans-85.8107-171.731.5-33.4000112.7
29S27.2Very low32.6Very low121 Ų121133.4 Ų133.485%0.84679%0.792SS**  trans-79.4137.4166.361.20000111.6E27E27-S29 PolarHBondContact O-N 3.3Å
30S28.7Very low32.1Very low109 Ų109135.3 Ų135.376%0.76280%0.8SS**  trans-98.9157.2-169.151.40000115.6
31S26.8Very low31.7Very low115 Ų115135.5 Ų135.580%0.80481%0.809SS**  trans77.9158.7164.781.70000118.8
32P34Very low31.1Very low111 Ų111142 Ų14272%0.72182%0.819SS**  cis-130.7172.8-37.534-17.1000113.3
33P35.5Very low30.7Very low121 Ų121138.7 Ų138.779%0.78681%0.808SS**  trans-98.5146.6-177.236.9-33.2000115.2
34P30.3Very low30.4Very low116 Ų116141.5 Ų141.575%0.75381%0.81SS**  trans-119.2117.6151.133.4-21.3000110.1
35Q30.1Very low30.2Very low185 Ų185141.5 Ų141.586%0.86481%0.805SS**  68.1121.379-69.7-162.31.100115.4
36H30.5Very low30Very low182 Ų182145.7 Ų145.784%0.84381%0.807SS**  trans-59.6139.9178.1-131.6-109.8000111.7
37V31.8Very low29.8Very low135 Ų135147.6 Ų147.682%0.81881%0.808SS**  trans-113.6106.1169.5179.10000109.4
38D29.4Very low30.7Very low147 Ų147143.2 Ų143.279%0.78680%0.795SS**  trans-84.8145.8163.6-117.8-43.9000110.7
39R29.3Very low30.5Very low247 Ų247144.4 Ų144.493%0.93280%0.795SS**  trans-103.787.2-166.1-173.5178.8176.4161-1.2112.7
40S33.7Very low30.6Very low120 Ų120142.2 Ų142.284%0.83978%0.784SS**  trans-140.6127.6159.765.60000110.5
41G28.3Very low30.5Very low73 Ų73144.4 Ų144.475%0.75379%0.787SS**  trans-118.7140.8-169.400000114.7
42R29.9Very low30.6Very low251 Ų251143.8 Ų143.895%0.94778%0.783SS**  trans-170.7155.7131.8-100.6170.1-159.5-130.86.4109.8
43P30.3Very low30.4Very low104 Ų104143.2 Ų143.268%0.67578%0.781SS**  trans-103.5160.2-168.438.5-32.9000113.8
44F27.6Very low30.2Very low189 Ų189142.4 Ų142.483%0.82978%0.779SS**  -179.7152.8116.7-113.1-90.1000111.3
45T27.8Very low30.2Very low112 Ų112141.9 Ų141.969%0.68778%0.777SS**  trans18.5140.8158.440.70000120.5
46E27.6Very low30.3Very low189 Ų189140 Ų14088%0.88377%0.773SS**  cis-160.4-17239.1-146164.7115.300112.2
47Q27Very low30.3Very low170 Ų170138.6 Ų138.679%0.79477%0.77SS**  trans-146.1165.2-168.5167.4-177.510.300108.3
48P47.5Very low30.2Very low88 Ų88138.9 Ų138.957%0.57177%0.766SS**  cis-128.2-155.4-7.425.21.2000113.6
49D28Very low30.3Very low148 Ų148138.8 Ų138.879%0.79177%0.765SS**  trans85.4138.4148.5-61.7-23.1000119.1
50A28Very low30.3Very low75 Ų75131.5 Ų131.562%0.6276%0.758SS**  cis-162.8173.3-13.400000111.8
51D27.6Very low30.3Very low155 Ų155133.1 Ų133.183%0.82976%0.755SS**  trans80.4134.4146.7-68.1-23.3000125.1
52S27.9Very low30.3Very low102 Ų102138.6 Ų138.671%0.71376%0.762SS**  trans64.4105.6138.6-158.90000119.1
53S30.7Very low30.2Very low98 Ų98130.9 Ų130.969%0.68575%0.751SS**  93.5123.653.585.90000116.1
54S30.6Very low30Very low105 Ų105133.8 Ų133.873%0.73476%0.761SS**  trans61.3116.6150.349.90000123
55S30.8Very low29.9Very low104 Ų104128.4 Ų128.473%0.72775%0.752SS**  97.4119.3119.8-69.40000122.8
56L30.9Very low30Very low147 Ų147134.6 Ų134.677%0.7776%0.763SS**  trans71.5105.1131.7-64169.5000121.1
57L32.5Very low30.9Very low151 Ų151131.1 Ų131.179%0.79176%0.756SS**  57.9133.1127.4-70.9174.6000122.4
58L28.8Very low30.9Very low141 Ų141127.6 Ų127.674%0.73876%0.757SS**  trans91.9113.7147.8-105.169.3000121.3
59L32.3Very low30Very low146 Ų146128 Ų12876%0.76477%0.767SS**  trans71.4101.3139.1-82.1163.5000122.5
60A28.6Very low30.2Very low94 Ų94128.2 Ų128.278%0.77777%0.767SS**  trans-168.1110.8134.600000107.9
61I32.8Very low30.3Very low153 Ų153136 Ų13679%0.78578%0.781SS**  42.393.680.1-49.1-179.1000114.4
62Q29.5Very low30.3Very low189 Ų189133.6 Ų133.688%0.88378%0.776SS**  trans-158.2141.7134.9-130.7171.41.400114.5
63A27.5Very low30.2Very low88 Ų88138 Ų13873%0.72778%0.783SS**  trans2.7141.1160.800000119.7
64N25.3Very low31.1Very low165 Ų165138.2 Ų138.288%0.88278%0.782SS**  -157.9160.755.6-148.1-2.5000115.1
65A25.7Very low30.8Very low77 Ų77142.4 Ų142.464%0.63679%0.787SS**  trans-131122.6-174.400000114
66R30Very low30.8Very low242 Ų242141.6 Ų141.691%0.91379%0.786SS**  trans55.9-170149.1-65.9-174.5170.6-172.4-1.7116.2
67P47.3Very low31.1Very low115 Ų115139.5 Ų139.575%0.74778%0.781SS**  cis-130.6-171.9-23.418.76.7000114.8
68A27.4Very low30.7Very low97 Ų97141.3 Ų141.380%0.80279%0.786SS**  trans80.6153.4150.600000117.9
69A28.8Very low30.7Very low97 Ų97143.2 Ų143.280%0.80279%0.791SS**  cis-149.1-167.913.300000112.5
70L31.9Very low31.2Very low151 Ų151141.3 Ų141.379%0.79179%0.787SS**  180109.4-68.4-171.4-176.4000109
71R28.9Very low31.9Very low239 Ų239141.8 Ų141.890%0.90278%0.782SS**  trans174.9148.5158-102.8171-177.2-144.6-0.7112.5
72S27.9Very low31.5Very low104 Ų104142.2 Ų142.273%0.72779%0.786SS**  cis-166.2144.7-23.137.70000111.4
73K26.8Very low31.4Very low196 Ų196139.4 Ų139.485%0.85278%0.782SS**  trans-82.1178173168.7171-179.1172.50110.6
74P48.4Very low31.6Very low102 Ų102141.1 Ų141.166%0.66279%0.788SS**  cis-128.3179.5-9.722.12.6000116
75K24.7Very low31.7Very low193 Ų193142.8 Ų142.884%0.83979%0.791SS**  153.2139.4100.8-161.3164.4-175.7-179.50114.2
76A30.1Very low31.8Very low86 Ų86142.6 Ų142.671%0.71180%0.797SS**  trans-123.7159.1159.500000108
77P37.7Very low31.7Very low104 Ų104137.3 Ų137.368%0.67579%0.791SS**  -153.6174.4107.439.9-22.2000117.2
78E24.6Very low31Very low189 Ų189140 Ų14088%0.88380%0.798SS**  trans86.5165.4148.8-98.9167.2111.600123.1
79E28.7Very low31Very low181 Ų181143.9 Ų143.985%0.84680%0.8SS**  trans-114.7177.2-138.2-110.2-162.2113.800115.1
80P43.3Very low31.2Very low105 Ų105144.2 Ų144.268%0.68279%0.794SS**  trans-87.7-165.2-176.545.6-42.3000110.3
81P41.8Very low31Very low105 Ų105144.8 Ų144.868%0.68280%0.797SS**  cis-137.3-179.323.444-24.3000116.9
82D26.1Very low31.2Very low162 Ų162139 Ų13987%0.86679%0.79SS**  -166.2155126.1-104.3-22.4000113.1
83T26.9Very low31.3Very low130 Ų130143.5 Ų143.580%0.79880%0.796SS**  trans-103.2148.5-169.245.40000114
84S30.9Very low31.5Very low123 Ų123140.3 Ų140.386%0.8680%0.796SS**  trans-169.9148.6142.228.10000111.9
85E28.6Very low30.6Very low201 Ų201143.4 Ų143.494%0.93981%0.806SS**  trans-90.5160.3-171-55.5-176.4118.300113.3
86G27.6Very low30.9Very low73 Ų73138.5 Ų138.575%0.75380%0.801SS**  trans-175.628.6-177.600000120.5
87V28.3Very low30.9Very low131 Ų131142.9 Ų142.979%0.79481%0.807SS**  trans41.7135145.4-175.90000121.8
88L32.5Very low30.6Very low170 Ų170143.9 Ų143.989%0.8981%0.811SS**  trans100.9125.2163.8-77.6145.6000120.3
89E26.4Very low30.9Very low179 Ų179140.5 Ų140.584%0.83680%0.803SS**  trans-67.8175.4170.2-110.9177.28600113.8
90P33.9Very low31Very low104 Ų104141 Ų14168%0.67580%0.803SS**  cis-138172.40.235.4-14.3000117.9
91L27Very low31Very low164 Ų164141.7 Ų141.786%0.85981%0.807SS**  trans12.1118.7154.1-169.569.1000120.9
92P33Very low30.8Very low118 Ų118145.8 Ų145.877%0.76681%0.814SS**PPolyproline II helixtrans-92.6150.3170.435.7-33000114.9
93K29.4Very low31.1Very low197 Ų197145.9 Ų145.986%0.85782%0.815SS**PPolyproline II helixtrans-82150.2173.7-62.2145.9178.8165.60111.4
94P30.9Very low31.3Very low130 Ų130143.4 Ų143.484%0.84481%0.807SS**PPolyproline II helixtrans-74.3147.7158.430.9-31.8000111.6
95L29.5Very low31.2Very low167 Ų167144.3 Ų144.387%0.87481%0.808SS**PPolyproline II helixtrans-76148.4-172.4-80.5147.1000114
96A31.6Very low31.3Very low89 Ų89139.7 Ų139.774%0.73680%0.798SS**PPolyproline II helixtrans-91.3155.6162.600000111
97Q29.7Very low31.9Very low179 Ų179140.9 Ų140.984%0.83679%0.792SS**  trans175.2135.8161.1-102.3172.651.400107.9
98V31.1Very low32Very low124 Ų124143.8 Ų143.875%0.75280%0.797SS**  cis-145.2147.1-5.3166.70000108.9
99T31.5Very low31.7Very low118 Ų118139 Ų13972%0.72479%0.789SS**  trans-119176.4160.2-34.20000108.5
100F31.9Very low31.8Very low193 Ų193139.1 Ų139.185%0.84679%0.794SS**  trans128.8156.7155.8-66.8-51.1000114.3
101P42.5Very low31.5Very low118 Ų118137.2 Ų137.277%0.76679%0.794SS**  cis-139-176.8-40.138.8-22.3000114.4
102K36.9Very low31.6Very low191 Ų191136.4 Ų136.483%0.8379%0.79SS**  trans-91.2150.9168.2-74.6171.5170173.40112.5
103N33Very low31.7Very low165 Ų165138.5 Ų138.588%0.88279%0.79SS**  trans161.9153.3137.3-91-5.4000110.5
104A31.5Very low31.9Very low77 Ų77139.7 Ų139.764%0.63680%0.795SS**  cis-163.9179-9.800000110.3
105T28.1Very low31.9Very low142 Ų142136.8 Ų136.887%0.87179%0.789SS**  trans94.4117.7155.9-46.70000118.9
106S29.9Very low32.1Very low104 Ų104134.1 Ų134.173%0.72779%0.791SS**  trans-103.4158.1165.8-173.90000106.6
107P41.8Very low32.1Very low98 Ų98133.4 Ų133.464%0.63679%0.785SS**  -155.6-168.752.343.4-19.8000118.4
108E29.2Very low32.8Very low192 Ų192133.9 Ų133.990%0.89779%0.787SS**  trans69.4137.2166.3-59.7172132.200116.7
109G26.3Very low32.8Very low69 Ų69136.3 Ų136.371%0.71179%0.788SS**  cis179.6-179.6-300000110.5
110L28.3Very low33.1Very low182 Ų182135.5 Ų135.595%0.95379%0.785SS**  trans69.9126.2-177.8-120.760.8000114.2
111G28.1Very low33.5Very low64 Ų64132.1 Ų132.166%0.6678%0.782SS**  92.6125.266.400000108.4
112D29.1Very low33.3Very low147 Ų147137.5 Ų137.579%0.78679%0.787SS**  cis-151.4170.717.2-95.9-49.8000113.3
113H35.3Very low33.9Very low163 Ų163135.1 Ų135.176%0.75578%0.782SS**  trans-31.5132166-55.4-95.9000117.5
114F33.3Very low34.3Very low221 Ų221133.6 Ų133.697%0.96977%0.771SS**  trans-145.2129.6131.5-91-71.5000110.5
115G30.3Very low34.9Very low70 Ų70138.3 Ų138.372%0.72279%0.785SS**  trans-110173.9177.300000112.9
116A35Very low36.1Very low110 Ų110134.5 Ų134.591%0.90978%0.775SS**  trans69.697.3167.400000118.4
117A31.8Very low37.4Very low75 Ų75135.6 Ų135.662%0.6276%0.763SS**  -144.4118.412600000109.7F119A117-F119 HydrophobicContact CB-CD2 4.25Å; A117-F119 HydrophobicContact CB-CE2 3.75Å; A117-F119 HydrophobicContact CB-CZ 4.48Å; A117-F119 PolarHBondContact O-N 3.43Å
118H43.3Very low39Very low189 Ų189134 Ų13488%0.87575%0.751SS**  trans-66.6116.4167.1-9792.5000108.8
119F31.3Very low41.7Very low175 Ų175126.1 Ų126.177%0.76872%0.715SS**  trans-118.2112.5151.7-64.6-77.1000106.6A117A117-F119 HydrophobicContact CB-CD2 4.25Å; A117-F119 HydrophobicContact CB-CE2 3.75Å; A117-F119 HydrophobicContact CB-CZ 4.48Å; A117-F119 PolarHBondContact O-N 3.43Å
120P37.8Very low44.7Very low101 Ų101125.8 Ų125.866%0.65670%0.699SS**  trans-57.8140.4162.527.9-32.7000106.9R122P120-R122 PolarHBondContact O-N 3.47Å
121P40Very low47.8Very low121 Ų121117.1 Ų117.179%0.78665%0.654SS**  trans-57.4115174.324.8-32.3000106.9I123P121-I123 VanDerWaalsContact C-N 3.34Å; P121-I123 PolarHBondContact O-N 3.34Å
122R39.1Very low50.8Low232 Ų232119.4 Ų119.488%0.87564%0.643SS**  trans-62.2105.6169.9-72-172177.7-173.10.3105.6P120 M124P120-R122 PolarHBondContact O-N 3.47Å; R122-M124 VanDerWaalsContact C-N 3.3Å; R122-M124 PolarHBondContact O-N 3.36Å
123I49.1Very low53.8Low140 Ų140112.7 Ų112.772%0.71861%0.608SS**  trans-57.2105.7161.9-61.1177.5000104P121 D125P121-I123 VanDerWaalsContact C-N 3.34Å; P121-I123 PolarHBondContact O-N 3.34Å; I123-D125 PolarHBondContact O-N 2.93Å
124M42.1Very low56.4Low133 Ų133105.2 Ų105.266%0.65557%0.573SS**  trans-63.1131.7172.3-87.8-169.8163.600107.4R122 G126 W127R122-M124 VanDerWaalsContact C-N 3.3Å; R122-M124 PolarHBondContact O-N 3.36Å; M124-G126 PolarHBondContact O-N 3.35Å; M124-W127 PolarHBondContact O-N 2.89Å
125D44.1Very low59.1Low176 Ų17696.7 Ų96.794%0.94154%0.535SS*.THydrogen-bonded Turntrans-68.655.5179.1-60.9-67000112.4I123I123-D125 PolarHBondContact O-N 2.93Å
126G52.6Low61.9Low63 Ų6395.2 Ų95.265%0.64951%0.511SS*.THydrogen-bonded Turntrans-171.410.4-174.100000115.2M124M124-G126 PolarHBondContact O-N 3.35Å
127W57.9Low64.3Low126 Ų12695.3 Ų95.348%0.47750%0.499SS..  trans-107.39.7-179.9-7668.6000114.4M124 Y154M124-W127 PolarHBondContact O-N 2.89Å; W127-Y154 HydrophobicContact CE3-CE1 4.27Å
128T75.9Confident66.8Low65 Ų6598.9 Ų98.940%0.39951%0.505SS..  trans-86.2108.7169.253.50000109.8C147T128-C147 WeakPolarHBondContact CB-O 3.41Å; T128-C147 WeakPolarHBondContact CG2-O 3.4Å
129D84.1Confident68.6Low26 Ų2690.8 Ų90.814%0.13947%0.473CS..  trans-69.4136.5171.8-77.3-23.2000110.8C147 I153 Y154 C155 K171D129-C147 VanDerWaalsContact O-CB 3.25Å; D129-C147 WeakPolarHBondContact O-CB 3.25Å; D129-C147 PolarHBondContact O-N 3.37Å; D129-I153 WeakPolarHBondContact CB-O 3.35Å; D129-I153 PolarHBondContact N-O 2.76Å; D129-Y154 WeakPolarHBondContact OD2-CA 3.37Å; D129-C155 HydrophobicContact CB-CB 4.03Å; D129-C155 PolarHBondContact OD2-N 3.45Å; D129-K171 IonicContact OD1-NZ 2.85Å; D129-K171 PolarHBondContact OD1-NZ 3.25Å; D129-K171 WeakPolarHBondContact OD2-CD 3.41Å; D129-K171 WeakPolarHBondContact OD2-CE 3.39Å; D129-K171 IonicContact OD2-NZ 3.02Å; D129-K171 PolarHBondContact OD2-NZ 3.05Å
130V90.1Very high71.2Confident62 Ų6288.1 Ų88.138%0.37646%0.462SS..EExtended strand (participates in β ladder)trans-92.6121.1165.3-178.30000108.1W132 N146 Q174V130-W132 PolarHBondContact O-N 3.46Å; V130-N146 HydrophobicContact CG2-CB 4.36Å; V130-Q174 PolarHBondContact O-NE2 2.89Å
131C92.6Very high73.7Confident0 Ų086.8 Ų86.80%045%0.446CS..EExtended strand (participates in β ladder)trans-70.7115.7163.1-74.10000108.7P144 F145 C155 R162C131-P144 CarbonylContact O-C 3.43Å; C131-P144 WeakPolarHBondContact O-CA 3.28Å; C131-P144 WeakPolarHBondContact O-CB 3.31Å; C131-F145 HydrophobicContact CB-CD1 4.09Å; C131-F145 HydrophobicContact CB-CD2 3.86Å; C131-F145 HydrophobicContact CB-CE1 3.78Å; C131-F145 HydrophobicContact CB-CE2 3.54Å; C131-F145 HydrophobicContact CB-CG 4.13Å; C131-F145 HydrophobicContact CB-CZ 3.5Å; C131-F145 PolarHBondContact N-O 2.91Å; C131-F145 PolarHBondContact O-N 3.33Å; C131-F145 WeakPolarHBondContact SG-CE2 3.49Å; C131-F145 WeakPolarHBondContact SG-CZ 3.46Å; C131-C155 WeakPolarHBondContact CA-SG 3.15Å; C131-C155 HydrophobicContact CB-CB 4.11Å; C131-C155 WeakPolarHBondContact CB-SG 3.46Å; C131-C155 WeakPolarHBondContact SG-CA 3.39Å; C131-C155 WeakPolarHBondContact SG-CB 3.4Å; C131-C155 CovalentContact SG-SG 2.03Å; C131-C155 PolarHBondContact SG-SG 3.22Å; C131-R162 HydrophobicContact CB-CB 4.46Å
132W92.1Very high76.1Confident113 Ų11383.3 Ų83.343%0.42842%0.421SS..  trans-68147.6170.5-59-7.5000109.8V130 R162 Q174 D175 Y180V130-W132 PolarHBondContact O-N 3.46Å; W132-R162 PolarHBondContact O-NH1 2.85Å; W132-R162 VanDerWaalsContact O-NH1 3.11Å; W132-Q174 HydrophobicContact CE3-CB 4.47Å; W132-D175 VanDerWaalsContact CH2-OD1 3.22Å; W132-D175 WeakPolarHBondContact CH2-OD1 3.46Å; W132-Y180 HydrophobicContact CB-CD1 4.32Å; W132-Y180 HydrophobicContact CB-CE1 3.55Å; W132-Y180 AromaticContact CE3-CE1 4Å; W132-Y180 HydrophobicContact CE3-CE1 4Å; W132-Y180 AromaticContact CE3-CE2 4Å; W132-Y180 HydrophobicContact CE3-CE2 4Å; W132-Y180 AromaticContact CE3-CZ 3.61Å; W132-Y180 HydrophobicContact CG-CE1 4.5Å; W132-Y180 HydrophobicContact CZ3-CE2 4.4Å
133G91Very high78.5Confident5 Ų577.8 Ų77.85%0.05241%0.409CS..  trans-68.4157179.500000111.8D142 Y180G133-D142 CarbonylContact C-O 3.54Å; G133-D142 WeakPolarHBondContact CA-O 3.33Å; G133-Y180 WeakPolarHBondContact O-CD1 3.47Å; G133-Y180 VanDerWaalsContact O-CE1 3.23Å; G133-Y180 WeakPolarHBondContact O-CE1 3.27Å
134Y91Very high80.6Confident6 Ų674.7 Ų74.72%0.02440%0.398CS..EExtended strand (participates in β ladder)trans-157.6161.6-171.362.2-87.6000111.7D136 F141 D142 H160 R162Y134-D136 HydrophobicContact CE2-CB 4.23Å; Y134-F141 CarbonylContact O-C 3.51Å; Y134-F141 WeakPolarHBondContact O-CA 3.29Å; Y134-D142 HydrophobicContact CD1-CB 4.2Å; Y134-D142 HydrophobicContact CD2-CB 4.43Å; Y134-D142 HydrophobicContact CE1-CB 3.75Å; Y134-D142 HydrophobicContact CE2-CB 3.95Å; Y134-D142 WeakPolarHBondContact CE2-OD2 3.26Å; Y134-D142 PolarHBondContact N-O 3.03Å; Y134-D142 PolarHBondContact O-N 3.43Å; Y134-D142 PolarHBondContact OH-OD2 3.29Å; Y134-H160 VanDerWaalsContact CE2-O 3.25Å; Y134-H160 WeakPolarHBondContact CE2-O 3.34Å; Y134-R162 HydrophobicContact CD1-CB 4.37Å; Y134-R162 HydrophobicContact CD1-CG 3.77Å; Y134-R162 HydrophobicContact CE1-CB 3.63Å; Y134-R162 HydrophobicContact CE1-CG 3.45Å; Y134-R162 VanDerWaalsContact CE1-CG 3.45Å; Y134-R162 PolarHBondContact OH-N 3.45Å; Y134-R162 VanDerWaalsContact OH-N 3.13Å
135Y89.6Confident82.9Confident42 Ų4271.6 Ų71.617%0.16538%0.381CS..EExtended strand (participates in β ladder)trans-86.8115.2173.1-71.9-91000111.3H140 F141 H160 N179 S182Y135-H140 CarbonylContact C-O 3.46Å; Y135-H140 WeakPolarHBondContact CA-O 3.39Å; Y135-F141 HydrophobicContact CD1-CB 4.12Å; Y135-F141 HydrophobicContact CD1-CD2 4.4Å; Y135-F141 AromaticContact CD2-CD2 3.79Å; Y135-F141 HydrophobicContact CD2-CD2 3.79Å; Y135-F141 HydrophobicContact CD2-CE2 4.41Å; Y135-F141 HydrophobicContact CE1-CB 3.81Å; Y135-F141 HydrophobicContact CE1-CD2 4.16Å; Y135-F141 HydrophobicContact CE1-CG 4.42Å; Y135-F141 AromaticContact CE2-CD2 3.46Å; Y135-F141 HydrophobicContact CE2-CD2 3.46Å; Y135-F141 VanDerWaalsContact CE2-CD2 3.46Å; Y135-F141 HydrophobicContact CE2-CE2 4.03Å; Y135-F141 HydrophobicContact CE2-CG 4.42Å; Y135-F141 HydrophobicContact CG-CD2 4.23Å; Y135-F141 AromaticContact CZ-CD2 3.68Å; Y135-H160 PolarHBondContact O-ND1 2.94Å; Y135-H160 VanDerWaalsContact O-ND1 3.17Å; Y135-N179 PolarHBondContact N-O 2.8Å; Y135-N179 VanDerWaalsContact N-O 3.1Å; Y135-N179 VanDerWaalsContact O-CG 3.29Å; Y135-N179 PolarHBondContact O-ND2 3.49Å; Y135-N179 PolarHBondContact O-OD1 3.47Å; Y135-N179 VanDerWaalsContact O-OD1 3.09Å; Y135-S182 VanDerWaalsContact CE2-CA 3.42Å; Y135-S182 WeakPolarHBondContact OH-CB 3.38Å; Y135-S182 PolarHBondContact OH-OG 3.4Å
136D88.5Confident85.2Confident40 Ų4067.3 Ų67.321%0.21436%0.358CS..  trans-64.1177.4177.589.1-24.4000111.9Y134 M138 G139 H140Y134-D136 HydrophobicContact CE2-CB 4.23Å; D136-M138 PolarHBondContact O-N 3.34Å; D136-M138 VanDerWaalsContact O-N 3.12Å; D136-M138 VanDerWaalsContact OD1-C 3.26Å; D136-M138 VanDerWaalsContact OD1-CA 3.25Å; D136-M138 WeakPolarHBondContact OD1-CA 3.37Å; D136-M138 WeakPolarHBondContact OD1-CB 3.43Å; D136-M138 PolarHBondContact OD1-N 2.91Å; D136-G139 PolarHBondContact O-N 3.34Å; D136-G139 PolarHBondContact OD1-N 3.48Å; D136-H140 PolarHBondContact N-O 2.82Å; D136-H140 WeakPolarHBondContact OD1-CB 3.47Å; D136-H140 PolarHBondContact OD1-N 3.41Å
137V85.8Confident87Confident111 Ų11164.3 Ų64.367%0.67333%0.328SS*.THydrogen-bonded Turntrans-63.4-18.1179.4-173.20000112.4H160V137-H160 HydrophobicContact CG2-CB 3.79Å
138M84.4Confident88.5Confident150 Ų15062.2 Ų62.274%0.73933%0.332SS*.THydrogen-bonded Turntrans-92.2-0.1176-52.6-70.783.200112.9D136 H140D136-M138 PolarHBondContact O-N 3.34Å; D136-M138 VanDerWaalsContact O-N 3.12Å; D136-M138 VanDerWaalsContact OD1-C 3.26Å; D136-M138 VanDerWaalsContact OD1-CA 3.25Å; D136-M138 WeakPolarHBondContact OD1-CA 3.37Å; D136-M138 WeakPolarHBondContact OD1-CB 3.43Å; D136-M138 PolarHBondContact OD1-N 2.91Å; M138-H140 VanDerWaalsContact C-N 3.29Å
139G82.3Confident88.7Confident19 Ų1965.9 Ų65.920%0.19634%0.342CS..SBendtrans74.716-176.100000114D136D136-G139 PolarHBondContact O-N 3.34Å; D136-G139 PolarHBondContact OD1-N 3.48Å
140H85.8Confident88.4Confident119 Ų11971.3 Ų71.355%0.55137%0.372SS*.  trans-79.6134.5169.1-173.463.1000110Y135 D136 M138 D142Y135-H140 CarbonylContact C-O 3.46Å; Y135-H140 WeakPolarHBondContact CA-O 3.39Å; D136-H140 PolarHBondContact N-O 2.82Å; D136-H140 WeakPolarHBondContact OD1-CB 3.47Å; D136-H140 PolarHBondContact OD1-N 3.41Å; M138-H140 VanDerWaalsContact C-N 3.29Å; H140-D142 IonicContact CD2-OD1 2.76Å; H140-D142 PolarHBondContact O-N 3.02Å
141F89.6Confident88Confident73 Ų7371.4 Ų71.432%0.3238%0.375SS..EExtended strand (participates in β ladder)trans-84.2103.9175.2-175-102.9000110.5Y134 Y135Y134-F141 CarbonylContact O-C 3.51Å; Y134-F141 WeakPolarHBondContact O-CA 3.29Å; Y135-F141 HydrophobicContact CD1-CB 4.12Å; Y135-F141 HydrophobicContact CD1-CD2 4.4Å; Y135-F141 AromaticContact CD2-CD2 3.79Å; Y135-F141 HydrophobicContact CD2-CD2 3.79Å; Y135-F141 HydrophobicContact CD2-CE2 4.41Å; Y135-F141 HydrophobicContact CE1-CB 3.81Å; Y135-F141 HydrophobicContact CE1-CD2 4.16Å; Y135-F141 HydrophobicContact CE1-CG 4.42Å; Y135-F141 AromaticContact CE2-CD2 3.46Å; Y135-F141 HydrophobicContact CE2-CD2 3.46Å; Y135-F141 VanDerWaalsContact CE2-CD2 3.46Å; Y135-F141 HydrophobicContact CE2-CE2 4.03Å; Y135-F141 HydrophobicContact CE2-CG 4.42Å; Y135-F141 HydrophobicContact CG-CD2 4.23Å; Y135-F141 AromaticContact CZ-CD2 3.68Å
142D89.8Confident87.9Confident48 Ų4876.7 Ų76.726%0.25740%0.396SS..EExtended strand (participates in β ladder)trans-72.3124.1168.6-79.7-35.7000109.2G133 Y134 H140G133-D142 CarbonylContact C-O 3.54Å; G133-D142 WeakPolarHBondContact CA-O 3.33Å; Y134-D142 HydrophobicContact CD1-CB 4.2Å; Y134-D142 HydrophobicContact CD2-CB 4.43Å; Y134-D142 HydrophobicContact CE1-CB 3.75Å; Y134-D142 HydrophobicContact CE2-CB 3.95Å; Y134-D142 WeakPolarHBondContact CE2-OD2 3.26Å; Y134-D142 PolarHBondContact N-O 3.03Å; Y134-D142 PolarHBondContact O-N 3.43Å; Y134-D142 PolarHBondContact OH-OD2 3.29Å; H140-D142 IonicContact CD2-OD1 2.76Å; H140-D142 PolarHBondContact O-N 3.02Å
143N91Very high87.9Confident117 Ų11773.5 Ų73.563%0.62639%0.386SS*.PPolyproline II helixtrans-66.3154179.6-74.996.7000112.9
144P92.3Very high88Confident74 Ų7474.3 Ų74.348%0.48139%0.388SS..PPolyproline II helixtrans-62.1142.1171.626.3-34.3000111.9C131C131-P144 CarbonylContact O-C 3.43Å; C131-P144 WeakPolarHBondContact O-CA 3.28Å; C131-P144 WeakPolarHBondContact O-CB 3.31Å
145F91.1Very high88.1Confident68 Ų6874 Ų7430%0.29839%0.387SS..EExtended strand (participates in β ladder)trans-139.5148.1177.959.6-93.7000111.9C131 R162 C164C131-F145 HydrophobicContact CB-CD1 4.09Å; C131-F145 HydrophobicContact CB-CD2 3.86Å; C131-F145 HydrophobicContact CB-CE1 3.78Å; C131-F145 HydrophobicContact CB-CE2 3.54Å; C131-F145 HydrophobicContact CB-CG 4.13Å; C131-F145 HydrophobicContact CB-CZ 3.5Å; C131-F145 PolarHBondContact N-O 2.91Å; C131-F145 PolarHBondContact O-N 3.33Å; C131-F145 WeakPolarHBondContact SG-CE2 3.49Å; C131-F145 WeakPolarHBondContact SG-CZ 3.46Å; F145-R162 HydrophobicContact CE1-CB 4.33Å; F145-R162 HydrophobicContact CZ-CB 3.96Å; F145-C164 VanDerWaalsContact CE2-SG 3.59Å
146N92.1Very high88.4Confident86 Ų8672 Ų7246%0.4638%0.379SS..EExtended strand (participates in β ladder)trans-94.5130.5-178.5-170.3-11.2000111V130 S148V130-N146 HydrophobicContact CG2-CB 4.36Å; N146-S148 PolarHBondContact O-N 2.87Å
147C90.9Very high88.6Confident1 Ų171.7 Ų71.71%0.00739%0.385CS..  trans-87.184.8173.4-63.10000110.2T128 D129 Y152 I153 C164T128-C147 WeakPolarHBondContact CB-O 3.41Å; T128-C147 WeakPolarHBondContact CG2-O 3.4Å; D129-C147 VanDerWaalsContact O-CB 3.25Å; D129-C147 WeakPolarHBondContact O-CB 3.25Å; D129-C147 PolarHBondContact O-N 3.37Å; C147-Y152 CarbonylContact C-O 3.33Å; C147-Y152 WeakPolarHBondContact CB-O 3.34Å; C147-I153 WeakPolarHBondContact O-CA 3.4Å; C147-C164 WeakPolarHBondContact CA-SG 3.37Å; C147-C164 HydrophobicContact CB-CB 3.66Å; C147-C164 WeakPolarHBondContact CB-SG 3.07Å; C147-C164 WeakPolarHBondContact SG-CA 3.26Å; C147-C164 WeakPolarHBondContact SG-CB 3.34Å; C147-C164 CovalentContact SG-SG 2.04Å; C147-C164 PolarHBondContact SG-SG 3.48Å
148S87.6Confident88.9Confident81 Ų8170 Ų7057%0.56638%0.375SS*.  trans-122.410.2-17961.30000114N146N146-S148 PolarHBondContact O-N 2.87Å
149K81.1Confident89.2Confident142 Ų14264.6 Ų64.662%0.61735%0.351SS*.BIsolated β-bridgetrans-93.5111.4-172.2-176174.1-179.3-176.50112.5S151 Y152K149-S151 PolarHBondContact O-N 3.37Å; K149-Y152 WeakPolarHBondContact O-CB 3.21Å; K149-Y152 PolarHBondContact O-N 2.94Å
150D76.9Confident89.6Confident141 Ų14167.6 Ų67.675%0.75436%0.36SS*.THydrogen-bonded Turntrans57.2-85.3169.3-50.5-46.1000114.2
151S83.6Confident89.9Confident63 Ų6368.9 Ų68.944%0.44136%0.361SS..THydrogen-bonded Turntrans-119.7-8.4176.158.70000113.6K149 I153 P166K149-S151 PolarHBondContact O-N 3.37Å; S151-I153 PolarHBondContact O-N 3.3Å; S151-I153 VanDerWaalsContact O-N 3.11Å; S151-P166 VanDerWaalsContact O-CA 3.26Å; S151-P166 WeakPolarHBondContact O-CA 3.46Å; S151-P166 VanDerWaalsContact O-CB 3.28Å; S151-P166 WeakPolarHBondContact O-CB 3.38Å
152Y89.2Confident90.1Very high112 Ų11265.8 Ų65.844%0.43935%0.347SS..BIsolated β-bridgetrans-8777.2-175.4-63.6-92.4000109.8C147 K149 C164 P166C147-Y152 CarbonylContact C-O 3.33Å; C147-Y152 WeakPolarHBondContact CB-O 3.34Å; K149-Y152 WeakPolarHBondContact O-CB 3.21Å; K149-Y152 PolarHBondContact O-N 2.94Å; Y152-C164 WeakPolarHBondContact CD1-O 3.49Å; Y152-P166 HydrophobicContact CE1-CG 4.5Å
153I92.3Very high90.2Very high46 Ų4667.7 Ų67.724%0.23635%0.354CS..  trans-102.9-13.7-173.364.9175000114.8D129 C147 S151 C165D129-I153 WeakPolarHBondContact CB-O 3.35Å; D129-I153 PolarHBondContact N-O 2.76Å; C147-I153 WeakPolarHBondContact O-CA 3.4Å; S151-I153 PolarHBondContact O-N 3.3Å; S151-I153 VanDerWaalsContact O-N 3.11Å; I153-C165 PolarHBondContact N-O 2.93Å
154Y92.8Very high90.3Very high21 Ų2163.7 Ų63.78%0.08233%0.334CS..EExtended strand (participates in β ladder)trans-104.5143.9-177.7-57.4-66.4000112.1W127 D129 C156 C164 C165 Q168 K171W127-Y154 HydrophobicContact CE3-CE1 4.27Å; D129-Y154 WeakPolarHBondContact OD2-CA 3.37Å; Y154-C156 PolarHBondContact O-SG 2.93Å; Y154-C156 VanDerWaalsContact O-SG 3.38Å; Y154-C164 CarbonylContact O-C 3.33Å; Y154-C164 VanDerWaalsContact O-CA 3.31Å; Y154-C164 WeakPolarHBondContact O-CA 3.39Å; Y154-C165 WeakPolarHBondContact CB-O 3Å; Y154-C165 PolarHBondContact N-O 3.03Å; Y154-C165 PolarHBondContact O-N 3.44Å; Y154-Q168 HydrophobicContact CD1-CB 4.49Å; Y154-Q168 HydrophobicContact CD1-CG 4.19Å; Y154-Q168 HydrophobicContact CD2-CB 4.06Å; Y154-Q168 HydrophobicContact CE1-CB 4.07Å; Y154-Q168 HydrophobicContact CE1-CG 3.7Å; Y154-Q168 HydrophobicContact CE2-CB 3.59Å; Y154-Q168 HydrophobicContact CE2-CG 4.19Å; Y154-Q168 HydrophobicContact CG-CB 4.48Å; Y154-K171 HydrophobicContact CD1-CD 4.22Å
155C94.3Very high90.4Very high0 Ų060.5 Ų60.50%031%0.314CS..EExtended strand (participates in β ladder)trans-81.9120.7170.7-172.70000109.6D129 C131 K171 L172D129-C155 HydrophobicContact CB-CB 4.03Å; D129-C155 PolarHBondContact OD2-N 3.45Å; C131-C155 WeakPolarHBondContact CA-SG 3.15Å; C131-C155 HydrophobicContact CB-CB 4.11Å; C131-C155 WeakPolarHBondContact CB-SG 3.46Å; C131-C155 WeakPolarHBondContact SG-CA 3.39Å; C131-C155 WeakPolarHBondContact SG-CB 3.4Å; C131-C155 CovalentContact SG-SG 2.03Å; C131-C155 PolarHBondContact SG-SG 3.22Å; C155-K171 CarbonylContact O-C 3.56Å; C155-K171 WeakPolarHBondContact O-CA 3.4Å; C155-L172 PolarHBondContact O-N 2.82Å
156C94.3Very high90.4Very high1 Ų160.6 Ų60.61%0.00732%0.321CS..EExtended strand (participates in β ladder)trans-132.8163-171.1-49.20000111.7Y154 R162 F163 C165 R170Y154-C156 PolarHBondContact O-SG 2.93Å; Y154-C156 VanDerWaalsContact O-SG 3.38Å; C156-R162 WeakPolarHBondContact O-CA 3.44Å; C156-F163 WeakPolarHBondContact CA-O 3.28Å; C156-F163 HydrophobicContact CB-CD2 4.44Å; C156-F163 HydrophobicContact CB-CE2 4.05Å; C156-F163 HydrophobicContact CB-CZ 4.29Å; C156-F163 PolarHBondContact N-O 3.46Å; C156-F163 PolarHBondContact O-N 2.69Å; C156-F163 VanDerWaalsContact O-O 3.07Å; C156-C165 HydrophobicContact CB-CB 3.57Å; C156-C165 WeakPolarHBondContact CB-SG 3.31Å; C156-C165 WeakPolarHBondContact SG-CB 3.5Å; C156-C165 CovalentContact SG-SG 2.03Å; C156-C165 PolarHBondContact SG-SG 3.4Å; C156-R170 VanDerWaalsContact CB-O 3.31Å; C156-R170 WeakPolarHBondContact CB-O 3.28Å
157G93.4Very high90.3Very high32 Ų3259.3 Ų59.333%0.3331%0.314SS..EExtended strand (participates in β ladder)trans119-131178.700000112.8F163G157-F163 VanDerWaalsContact CA-CE1 3.49Å
158T92Very high90.2Very high77 Ų7764.2 Ų64.247%0.47234%0.337SS..EExtended strand (participates in β ladder)trans-132.3168.7179.973.80000110.8H160 Y161 R162 L172T158-H160 PolarHBondContact O-N 2.9Å; T158-H160 PolarHBondContact OG1-N 2.93Å; T158-Y161 PolarHBondContact N-O 3.19Å; T158-Y161 CarbonylContact O-C 3.57Å; T158-Y161 PolarHBondContact O-N 3.43Å; T158-Y161 VanDerWaalsContact O-N 3.13Å; T158-Y161 VanDerWaalsContact O-O 3.06Å; T158-Y161 PolarHBondContact OG1-N 3.32Å; T158-R162 WeakPolarHBondContact O-CG 3.47Å; T158-L172 WeakPolarHBondContact O-CD2 3.49Å
159C91.8Very high90.2Very high35 Ų3565.2 Ų65.224%0.23634%0.344CS..THydrogen-bonded Turntrans-57.1-25.1178.2-65.20000114.5R162 C177 N179C159-R162 PolarHBondContact O-NH2 3.35Å; C159-C177 WeakPolarHBondContact CA-SG 3.43Å; C159-C177 HydrophobicContact CB-CB 3.66Å; C159-C177 WeakPolarHBondContact CB-SG 3.38Å; C159-C177 WeakPolarHBondContact SG-CA 3.31Å; C159-C177 WeakPolarHBondContact SG-CB 3.49Å; C159-C177 CovalentContact SG-SG 2.04Å; C159-C177 PolarHBondContact SG-SG 3.06Å; C159-N179 HydrophobicContact CB-CB 4.43Å; C159-N179 PolarHBondContact O-ND2 3.28Å
160H90.2Very high90.5Very high83 Ų8366.8 Ų66.838%0.38435%0.346SS..THydrogen-bonded Turntrans-108.44.3-179.6-59.6-83.5000114.2Y134 Y135 V137 T158 N179Y134-H160 VanDerWaalsContact CE2-O 3.25Å; Y134-H160 WeakPolarHBondContact CE2-O 3.34Å; Y135-H160 PolarHBondContact O-ND1 2.94Å; Y135-H160 VanDerWaalsContact O-ND1 3.17Å; V137-H160 HydrophobicContact CG2-CB 3.79Å; T158-H160 PolarHBondContact O-N 2.9Å; T158-H160 PolarHBondContact OG1-N 2.93Å; H160-N179 PolarHBondContact CE1-OD1 2.84Å; H160-N179 VanDerWaalsContact CE1-OD1 3.26Å; H160-N179 PolarHBondContact ND1-ND2 2.88Å; H160-N179 PolarHBondContact ND1-OD1 3.3Å
161Y91.9Very high91.3Very high146 Ų14664.1 Ų64.157%0.57333%0.328SS*.EExtended strand (participates in β ladder)trans-159.4111.7175.9178.2-107000110.1T158 F163T158-Y161 PolarHBondContact N-O 3.19Å; T158-Y161 CarbonylContact O-C 3.57Å; T158-Y161 PolarHBondContact O-N 3.43Å; T158-Y161 VanDerWaalsContact O-N 3.13Å; T158-Y161 VanDerWaalsContact O-O 3.06Å; T158-Y161 PolarHBondContact OG1-N 3.32Å; Y161-F163 AromaticContact CD1-CD1 3.97Å; Y161-F163 HydrophobicContact CD1-CD1 3.97Å; Y161-F163 HydrophobicContact CD1-CE1 4.22Å; Y161-F163 AromaticContact CE1-CD1 3.53Å; Y161-F163 HydrophobicContact CE1-CD1 3.53Å; Y161-F163 AromaticContact CE1-CE1 3.94Å; Y161-F163 HydrophobicContact CE1-CE1 3.94Å
162R92.9Very high91.7Very high8 Ų862.4 Ų62.43%0.0331%0.313CS..EExtended strand (participates in β ladder)trans-119.7147.5-175-55.3178.1-160.6-157.4-1.6111.7C131 W132 Y134 F145 C156 T158 C159 L172 Y180C131-R162 HydrophobicContact CB-CB 4.46Å; W132-R162 PolarHBondContact O-NH1 2.85Å; W132-R162 VanDerWaalsContact O-NH1 3.11Å; Y134-R162 HydrophobicContact CD1-CB 4.37Å; Y134-R162 HydrophobicContact CD1-CG 3.77Å; Y134-R162 HydrophobicContact CE1-CB 3.63Å; Y134-R162 HydrophobicContact CE1-CG 3.45Å; Y134-R162 VanDerWaalsContact CE1-CG 3.45Å; Y134-R162 PolarHBondContact OH-N 3.45Å; Y134-R162 VanDerWaalsContact OH-N 3.13Å; F145-R162 HydrophobicContact CE1-CB 4.33Å; F145-R162 HydrophobicContact CZ-CB 3.96Å; C156-R162 WeakPolarHBondContact O-CA 3.44Å; T158-R162 WeakPolarHBondContact O-CG 3.47Å; C159-R162 PolarHBondContact O-NH2 3.35Å; R162-L172 HydrophobicContact CG-CD2 4.05Å; R162-Y180 PolarHBondContact NH1-OH 3.4Å; R162-Y180 VanDerWaalsContact NH2-CE1 3.29Å; R162-Y180 VanDerWaalsContact NH2-CZ 3.3Å; R162-Y180 PolarHBondContact NH2-OH 2.89Å
163F92.4Very high91.8Very high88 Ų8861 Ų6139%0.38632%0.316SS..EExtended strand (participates in β ladder)trans-152.9154.1174.957.4-85.7000109.6C156 G157 Y161 C165C156-F163 WeakPolarHBondContact CA-O 3.28Å; C156-F163 HydrophobicContact CB-CD2 4.44Å; C156-F163 HydrophobicContact CB-CE2 4.05Å; C156-F163 HydrophobicContact CB-CZ 4.29Å; C156-F163 PolarHBondContact N-O 3.46Å; C156-F163 PolarHBondContact O-N 2.69Å; C156-F163 VanDerWaalsContact O-O 3.07Å; G157-F163 VanDerWaalsContact CA-CE1 3.49Å; Y161-F163 AromaticContact CD1-CD1 3.97Å; Y161-F163 HydrophobicContact CD1-CD1 3.97Å; Y161-F163 HydrophobicContact CD1-CE1 4.22Å; Y161-F163 AromaticContact CE1-CD1 3.53Å; Y161-F163 HydrophobicContact CE1-CD1 3.53Å; Y161-F163 AromaticContact CE1-CE1 3.94Å; Y161-F163 HydrophobicContact CE1-CE1 3.94Å; F163-C165 HydrophobicContact CD2-CB 4.28Å; F163-C165 HydrophobicContact CE2-CB 3.99Å
164C94.1Very high91.7Very high33 Ų3359.5 Ų59.522%0.22331%0.308CS..EExtended strand (participates in β ladder)trans-72.9136.1173.6-57.20000110.3F145 C147 Y152 Y154F145-C164 VanDerWaalsContact CE2-SG 3.59Å; C147-C164 WeakPolarHBondContact CA-SG 3.37Å; C147-C164 HydrophobicContact CB-CB 3.66Å; C147-C164 WeakPolarHBondContact CB-SG 3.07Å; C147-C164 WeakPolarHBondContact SG-CA 3.26Å; C147-C164 WeakPolarHBondContact SG-CB 3.34Å; C147-C164 CovalentContact SG-SG 2.04Å; C147-C164 PolarHBondContact SG-SG 3.48Å; Y152-C164 WeakPolarHBondContact CD1-O 3.49Å; Y154-C164 CarbonylContact O-C 3.33Å; Y154-C164 VanDerWaalsContact O-CA 3.31Å; Y154-C164 WeakPolarHBondContact O-CA 3.39Å
165C92.7Very high91.5Very high7 Ų764.3 Ų64.35%0.04734%0.335CS..EExtended strand (participates in β ladder)trans-133.5158.1173.1910000112.1I153 Y154 C156 F163 D167I153-C165 PolarHBondContact N-O 2.93Å; Y154-C165 WeakPolarHBondContact CB-O 3Å; Y154-C165 PolarHBondContact N-O 3.03Å; Y154-C165 PolarHBondContact O-N 3.44Å; C156-C165 HydrophobicContact CB-CB 3.57Å; C156-C165 WeakPolarHBondContact CB-SG 3.31Å; C156-C165 WeakPolarHBondContact SG-CB 3.5Å; C156-C165 CovalentContact SG-SG 2.03Å; C156-C165 PolarHBondContact SG-SG 3.4Å; F163-C165 HydrophobicContact CD2-CB 4.28Å; F163-C165 HydrophobicContact CE2-CB 3.99Å; C165-D167 PolarHBondContact SG-O 3.31Å; C165-D167 VanDerWaalsContact SG-O 3.38Å
166P91.8Very high91.3Very high70 Ų7071 Ų7146%0.45537%0.371SS..SBendtrans-88.4-9.3-178.836.3-36.2000113.4S151 Y152S151-P166 VanDerWaalsContact O-CA 3.26Å; S151-P166 WeakPolarHBondContact O-CA 3.46Å; S151-P166 VanDerWaalsContact O-CB 3.28Å; S151-P166 WeakPolarHBondContact O-CB 3.38Å; Y152-P166 HydrophobicContact CE1-CG 4.5Å
167D89.6Confident91.1Very high58 Ų5871.4 Ų71.431%0.3137%0.373SS..  trans-102.1107.9-170.3179.8-1.2000110.4C165 S169 R170C165-D167 PolarHBondContact SG-O 3.31Å; C165-D167 VanDerWaalsContact SG-O 3.38Å; D167-S169 PolarHBondContact O-N 3.13Å; D167-S169 VanDerWaalsContact O-N 3.16Å; D167-S169 WeakPolarHBondContact OD1-CB 3.4Å; D167-S169 PolarHBondContact OD1-N 3.01Å; D167-S169 PolarHBondContact OD1-OG 2.9Å; D167-S169 PolarHBondContact OD2-OG 3.22Å; D167-R170 HydrophobicContact CB-CG 4.29Å; D167-R170 PolarHBondContact O-N 2.95Å; D167-R170 WeakPolarHBondContact OD2-CD 3.31Å; D167-R170 WeakPolarHBondContact OD2-CG 3.25Å; D167-R170 IonicContact OD2-CZ 2.69Å; D167-R170 IonicContact OD2-NE 3.77Å; D167-R170 PolarHBondContact OD2-NE 3.13Å
168Q88.9Confident90.8Very high105 Ų10575.6 Ų75.649%0.49139%0.392SS..G310 helixtrans-59.4-27.2-179.2-164.6174.98.800112.7Y154 R170 K171Y154-Q168 HydrophobicContact CD1-CB 4.49Å; Y154-Q168 HydrophobicContact CD1-CG 4.19Å; Y154-Q168 HydrophobicContact CD2-CB 4.06Å; Y154-Q168 HydrophobicContact CE1-CB 4.07Å; Y154-Q168 HydrophobicContact CE1-CG 3.7Å; Y154-Q168 HydrophobicContact CE2-CB 3.59Å; Y154-Q168 HydrophobicContact CE2-CG 4.19Å; Y154-Q168 HydrophobicContact CG-CB 4.48Å; Q168-R170 PolarHBondContact O-N 3.44Å; Q168-K171 VanDerWaalsContact O-CB 3.24Å; Q168-K171 WeakPolarHBondContact O-CB 3.01Å; Q168-K171 PolarHBondContact O-N 2.95Å; Q168-K171 VanDerWaalsContact O-N 3.16Å
169S87.9Confident90.2Very high102 Ų10273 Ų7371%0.71338%0.375SS*.G310 helixtrans-68-16.7178.674.40000113.3D167D167-S169 PolarHBondContact O-N 3.13Å; D167-S169 VanDerWaalsContact O-N 3.16Å; D167-S169 WeakPolarHBondContact OD1-CB 3.4Å; D167-S169 PolarHBondContact OD1-N 3.01Å; D167-S169 PolarHBondContact OD1-OG 2.9Å; D167-S169 PolarHBondContact OD2-OG 3.22Å
170R87.9Confident89.5Confident175 Ų17574 Ų7466%0.6638%0.375SS*.G310 helixtrans-104.16.6178.1-58.1177.8-168-122.8-5.2112.9C156 D167 Q168 L172C156-R170 VanDerWaalsContact CB-O 3.31Å; C156-R170 WeakPolarHBondContact CB-O 3.28Å; D167-R170 HydrophobicContact CB-CG 4.29Å; D167-R170 PolarHBondContact O-N 2.95Å; D167-R170 WeakPolarHBondContact OD2-CD 3.31Å; D167-R170 WeakPolarHBondContact OD2-CG 3.25Å; D167-R170 IonicContact OD2-CZ 2.69Å; D167-R170 IonicContact OD2-NE 3.77Å; D167-R170 PolarHBondContact OD2-NE 3.13Å; Q168-R170 PolarHBondContact O-N 3.44Å; R170-L172 PolarHBondContact O-N 3.15Å
171K92.6Very high88.8Confident85 Ų8575.9 Ų75.937%0.3739%0.388SS..BIsolated β-bridgetrans-59.1125.6175.5177.6174.9173.71560109.8D129 Y154 C155 Q168D129-K171 IonicContact OD1-NZ 2.85Å; D129-K171 PolarHBondContact OD1-NZ 3.25Å; D129-K171 WeakPolarHBondContact OD2-CD 3.41Å; D129-K171 WeakPolarHBondContact OD2-CE 3.39Å; D129-K171 IonicContact OD2-NZ 3.02Å; D129-K171 PolarHBondContact OD2-NZ 3.05Å; Y154-K171 HydrophobicContact CD1-CD 4.22Å; C155-K171 CarbonylContact O-C 3.56Å; C155-K171 WeakPolarHBondContact O-CA 3.4Å; Q168-K171 VanDerWaalsContact O-CB 3.24Å; Q168-K171 WeakPolarHBondContact O-CB 3.01Å; Q168-K171 PolarHBondContact O-N 2.95Å; Q168-K171 VanDerWaalsContact O-N 3.16Å
172L92.6Very high87.7Confident26 Ų2670.2 Ų70.214%0.13637%0.37CS..  trans-74.3127.1173.3179.664.8000109.4C155 T158 R162 R170 Q174C155-L172 PolarHBondContact O-N 2.82Å; T158-L172 WeakPolarHBondContact O-CD2 3.49Å; R162-L172 HydrophobicContact CG-CD2 4.05Å; R170-L172 PolarHBondContact O-N 3.15Å; L172-Q174 HydrophobicContact CD2-CG 4.44Å; L172-Q174 HydrophobicContact CG-CG 4.39Å; L172-Q174 PolarHBondContact O-N 3.31Å
173V91.3Very high86.3Confident82 Ų8271.7 Ų71.750%0.49738%0.38SS..  trans-77.791.2170.9-174.60000108.3D175 L176V173-D175 VanDerWaalsContact C-N 3.25Å; V173-D175 PolarHBondContact O-N 2.84Å; V173-L176 HydrophobicContact CB-CD1 4.03Å; V173-L176 HydrophobicContact CB-CG 4.33Å; V173-L176 HydrophobicContact CG1-CD1 3.91Å; V173-L176 HydrophobicContact CG1-CG 3.85Å; V173-L176 PolarHBondContact O-N 3.47Å
174Q90.5Very high84.9Confident16 Ų1673.5 Ų73.58%0.07539%0.394CS..G310 helixtrans-63.9-26.9-170.4-70-172.189.800113.9V130 W132 L172 L176 C177 Y180V130-Q174 PolarHBondContact O-NE2 2.89Å; W132-Q174 HydrophobicContact CE3-CB 4.47Å; L172-Q174 HydrophobicContact CD2-CG 4.44Å; L172-Q174 HydrophobicContact CG-CG 4.39Å; L172-Q174 PolarHBondContact O-N 3.31Å; Q174-L176 PolarHBondContact O-N 2.98Å; Q174-C177 WeakPolarHBondContact O-CB 3.05Å; Q174-C177 PolarHBondContact O-N 2.97Å; Q174-Y180 WeakPolarHBondContact CB-OH 2.97Å; Q174-Y180 WeakPolarHBondContact O-CE2 3.04Å; Q174-Y180 PolarHBondContact O-OH 3.29Å
175D88.8Confident83.5Confident121 Ų12180.9 Ų80.965%0.64742%0.417SS*.G310 helixtrans-67.7-21.1179.8-49.6-63.2000113.4W132 V173 C177W132-D175 VanDerWaalsContact CH2-OD1 3.22Å; W132-D175 WeakPolarHBondContact CH2-OD1 3.46Å; V173-D175 VanDerWaalsContact C-N 3.25Å; V173-D175 PolarHBondContact O-N 2.84Å; D175-C177 VanDerWaalsContact C-N 3.3Å
176L89.8Confident81.7Confident142 Ų14282.2 Ų82.274%0.74343%0.428SS*.G310 helixtrans-83.1-6.9177.2-61.1177.7000112.9V173 Q174V173-L176 HydrophobicContact CB-CD1 4.03Å; V173-L176 HydrophobicContact CB-CG 4.33Å; V173-L176 HydrophobicContact CG1-CD1 3.91Å; V173-L176 HydrophobicContact CG1-CG 3.85Å; V173-L176 PolarHBondContact O-N 3.47Å; Q174-L176 PolarHBondContact O-N 2.98Å
177C89.7Confident80.1Confident8 Ų883.8 Ų83.85%0.05443%0.428CS..  trans-87.2128.1178.7-60.60000110.8C159 Q174 D175 Y180C159-C177 WeakPolarHBondContact CA-SG 3.43Å; C159-C177 HydrophobicContact CB-CB 3.66Å; C159-C177 WeakPolarHBondContact CB-SG 3.38Å; C159-C177 WeakPolarHBondContact SG-CA 3.31Å; C159-C177 WeakPolarHBondContact SG-CB 3.49Å; C159-C177 CovalentContact SG-SG 2.04Å; C159-C177 PolarHBondContact SG-SG 3.06Å; Q174-C177 WeakPolarHBondContact O-CB 3.05Å; Q174-C177 PolarHBondContact O-N 2.97Å; D175-C177 VanDerWaalsContact C-N 3.3Å; C177-Y180 HydrophobicContact CB-CE2 3.78Å; C177-Y180 WeakPolarHBondContact O-CD2 3.44Å; C177-Y180 WeakPolarHBondContact O-CE2 3.34Å
178T86.5Confident78.1Confident120 Ų12086 Ų8674%0.73645%0.446SS*.  trans-90.4-6.7172.851.30000113.4Y180 N181T178-Y180 PolarHBondContact O-N 3.41Å; T178-N181 PolarHBondContact O-N 3.15Å
179N81.3Confident76.1Confident22 Ų2289.5 Ų89.512%0.11846%0.462CS..THydrogen-bonded Turntrans-73.519.3-170.3-168.643000115.6Y135 C159 H160Y135-N179 PolarHBondContact N-O 2.8Å; Y135-N179 VanDerWaalsContact N-O 3.1Å; Y135-N179 VanDerWaalsContact O-CG 3.29Å; Y135-N179 PolarHBondContact O-ND2 3.49Å; Y135-N179 PolarHBondContact O-OD1 3.47Å; Y135-N179 VanDerWaalsContact O-OD1 3.09Å; C159-N179 HydrophobicContact CB-CB 4.43Å; C159-N179 PolarHBondContact O-ND2 3.28Å; H160-N179 PolarHBondContact CE1-OD1 2.84Å; H160-N179 VanDerWaalsContact CE1-OD1 3.26Å; H160-N179 PolarHBondContact ND1-ND2 2.88Å; H160-N179 PolarHBondContact ND1-OD1 3.3Å
180Y77.1Confident74.1Confident58 Ų5890.4 Ų90.423%0.22746%0.464CS..THydrogen-bonded Turntrans-91.8-31173-56.7-66.9000111.9W132 G133 R162 Q174 C177 T178 S182W132-Y180 HydrophobicContact CB-CD1 4.32Å; W132-Y180 HydrophobicContact CB-CE1 3.55Å; W132-Y180 AromaticContact CE3-CE1 4Å; W132-Y180 HydrophobicContact CE3-CE1 4Å; W132-Y180 AromaticContact CE3-CE2 4Å; W132-Y180 HydrophobicContact CE3-CE2 4Å; W132-Y180 AromaticContact CE3-CZ 3.61Å; W132-Y180 HydrophobicContact CG-CE1 4.5Å; W132-Y180 HydrophobicContact CZ3-CE2 4.4Å; G133-Y180 WeakPolarHBondContact O-CD1 3.47Å; G133-Y180 VanDerWaalsContact O-CE1 3.23Å; G133-Y180 WeakPolarHBondContact O-CE1 3.27Å; R162-Y180 PolarHBondContact NH1-OH 3.4Å; R162-Y180 VanDerWaalsContact NH2-CE1 3.29Å; R162-Y180 VanDerWaalsContact NH2-CZ 3.3Å; R162-Y180 PolarHBondContact NH2-OH 2.89Å; Q174-Y180 WeakPolarHBondContact CB-OH 2.97Å; Q174-Y180 WeakPolarHBondContact O-CE2 3.04Å; Q174-Y180 PolarHBondContact O-OH 3.29Å; C177-Y180 HydrophobicContact CB-CE2 3.78Å; C177-Y180 WeakPolarHBondContact O-CD2 3.44Å; C177-Y180 WeakPolarHBondContact O-CE2 3.34Å; T178-Y180 PolarHBondContact O-N 3.41Å; Y180-S182 PolarHBondContact O-N 2.93Å
181N75.6Confident72Confident122 Ų12291.2 Ų91.265%0.65248%0.475SS*.SBendtrans-70.6127.4177.1-70.1-28.1000108.6T178 P183T178-N181 PolarHBondContact O-N 3.15Å; N181-P183 VanDerWaalsContact O-N 3.13Å
182S67.1Low69.4Low27 Ų2790.8 Ų90.819%0.18949%0.487CS..PPolyproline II helixtrans-51.8121.8168.1-172.80000108.1Y135 Y180 A186 K187Y135-S182 VanDerWaalsContact CE2-CA 3.42Å; Y135-S182 WeakPolarHBondContact OH-CB 3.38Å; Y135-S182 PolarHBondContact OH-OG 3.4Å; Y180-S182 PolarHBondContact O-N 2.93Å; S182-A186 WeakPolarHBondContact OG-CB 3.48Å; S182-A186 PolarHBondContact OG-O 3.32Å; S182-K187 WeakPolarHBondContact O-CE 2.93Å
183P65.1Low66.9Low38 Ų3898.3 Ų98.325%0.24752%0.523CS..PPolyproline II helixtrans-61.7150.7-178.726.8-34.8000109.2N181 W185 A186 K187N181-P183 VanDerWaalsContact O-N 3.13Å; P183-W185 HydrophobicContact CG-CD2 4.28Å; P183-W185 HydrophobicContact CG-CZ2 3.73Å; P183-W185 PolarHBondContact O-N 3.2Å; P183-A186 HydrophobicContact CG-CB 3.92Å; P183-A186 WeakPolarHBondContact O-CA 3.34Å; P183-A186 PolarHBondContact O-N 3.1Å; P183-K187 PolarHBondContact O-N 3.26Å
184D62.4Low64.2Low126 Ų126102.7 Ų102.767%0.67454%0.541SS*.THydrogen-bonded Turntrans-62.3-19.6-165.8-59.2-56.5000114.5K187D184-K187 WeakPolarHBondContact OD1-CE 3.45Å; D184-K187 IonicContact OD1-NZ 3.88Å; D184-K187 PolarHBondContact OD1-NZ 2.91Å
185W63.8Low61.5Low188 Ų188109.1 Ų109.171%0.71257%0.574SS**THydrogen-bonded Turntrans-76.6-18.8171.864.2-99.1000114.4P183P183-W185 HydrophobicContact CG-CD2 4.28Å; P183-W185 HydrophobicContact CG-CZ2 3.73Å; P183-W185 PolarHBondContact O-N 3.2Å
186A55.3Low59.4Low35 Ų35109.5 Ų109.529%0.28958%0.583SS.*THydrogen-bonded Turntrans-104.8-7.7179.600000113.1S182 P183S182-A186 WeakPolarHBondContact OG-CB 3.48Å; S182-A186 PolarHBondContact OG-O 3.32Å; P183-A186 HydrophobicContact CG-CB 3.92Å; P183-A186 WeakPolarHBondContact O-CA 3.34Å; P183-A186 PolarHBondContact O-N 3.1Å
187K57.7Low57.2Low103 Ų103111.8 Ų111.845%0.44859%0.59SS.*SBendtrans-69.2122.2164.3-67.4177.3-176.6165.80108.1S182 P183 D184 Q189S182-K187 WeakPolarHBondContact O-CE 2.93Å; P183-K187 PolarHBondContact O-N 3.26Å; D184-K187 WeakPolarHBondContact OD1-CE 3.45Å; D184-K187 IonicContact OD1-NZ 3.88Å; D184-K187 PolarHBondContact OD1-NZ 2.91Å; K187-Q189 PolarHBondContact O-N 3.43Å
188P48.4Very low54.9Low105 Ų105120 Ų12068%0.68263%0.628SS**  trans-59.1133.9168.326.2-32.5000108.2T190P188-T190 PolarHBondContact O-N 2.9Å; P188-T190 PolarHBondContact O-OG1 3.11Å
189Q45.9Very low53.1Low179 Ų179121 Ų12184%0.83663%0.633SS**  trans-70.577.8-179.4-69.1-167.8-40.900111.1K187K187-Q189 PolarHBondContact O-N 3.43Å
190T45.8Very low51Low121 Ų121123.1 Ų123.174%0.74266%0.66SS**  trans-82.3-8.9169.4-34.40000111P188P188-T190 PolarHBondContact O-N 2.9Å; P188-T190 PolarHBondContact O-OG1 3.11Å
191E44.8Very low49.6Very low192 Ų192126.3 Ų126.390%0.89769%0.688SS**SBendtrans-11966.1-175.4-66.4173.6-158.500110.9
192A38.2Very low48Very low75 Ų75126.2 Ų126.262%0.6269%0.687SS**SBendtrans-1484.8171.500000114.6
193M39Very low47.5Very low184 Ų184131.1 Ų131.191%0.90672%0.719SS**SBendtrans-150.329.7179.7-137.9166.2-164.200115.1
194M34.9Very low46.7Very low175 Ų175136.6 Ų136.686%0.86275%0.746SS**  trans-106.2122.5155.4-69.5-65.3-7800107.5
195I35Very low46.1Very low150 Ų150140.1 Ų140.177%0.76975%0.751SS**  trans-66.8146176.8-64.9163.1000107.9E197I195-E197 PolarHBondContact O-N 3.25Å
196P44.9Very low45.4Very low129 Ų129135.2 Ų135.284%0.83874%0.739SS**  trans-73.7101.6175.3-0.817.4000109.1
197E41.8Very low45.4Very low190 Ų190138.2 Ų138.289%0.88876%0.755SS**  trans-108.3132.5155.9-91.2-170.1115.800110.5I195I195-E197 PolarHBondContact O-N 3.25Å
198E42.5Very low45.1Very low181 Ų181138.8 Ų138.885%0.84676%0.763SS**  trans-42.2134.4178.8-73.2-99105.300115.4G200E198-G200 PolarHBondContact O-N 3.03Å
199V48.3Very low45.4Very low142 Ų142140.6 Ų140.686%0.86176%0.76SS**  trans0.8106.4148.1-176.60000116.4
200G36.8Very low45.5Very low65 Ų65139.3 Ų139.367%0.6775%0.754SS**  trans-145.2123.9160.800000110.2E198 D202E198-G200 PolarHBondContact O-N 3.03Å; G200-D202 PolarHBondContact O-N 2.87Å
201P48.1Very low45.9Very low126 Ų126139.6 Ų139.682%0.81875%0.747SS**  trans-90.888.4-173.434.5-33.5000112.5P203P201-P203 WeakPolarHBondContact O-CD 3.19Å
202D42.2Very low46.5Very low120 Ų120133.8 Ų133.864%0.64273%0.727SS**  trans-95111.3168.8-86.5-27.8000111.4G200 D204 Y205G200-D202 PolarHBondContact O-N 2.87Å; D202-D204 VanDerWaalsContact C-N 3.29Å; D202-D204 PolarHBondContact O-N 3.38Å; D202-D204 VanDerWaalsContact O-N 3.12Å; D202-Y205 HydrophobicContact CB-CD2 4.11Å; D202-Y205 HydrophobicContact CB-CE2 4.01Å
203P55.8Low47.7Very low130 Ų130135.2 Ų135.284%0.84472%0.721SS**THydrogen-bonded Turntrans-88.745.1-173.238.1-38000113.5P201P201-P203 WeakPolarHBondContact O-CD 3.19Å
204D49.2Very low49.2Very low152 Ų152131.9 Ų131.981%0.81371%0.706SS**THydrogen-bonded Turntrans-146.425.3173.9-144.911.3000114D202 D206D202-D204 VanDerWaalsContact C-N 3.29Å; D202-D204 PolarHBondContact O-N 3.38Å; D202-D204 VanDerWaalsContact O-N 3.12Å; D204-D206 PolarHBondContact O-N 2.04Å; D204-D206 VanDerWaalsContact O-N 3.08Å
205Y49.6Very low51.1Low201 Ų201126.6 Ų126.679%0.78868%0.684SS**  trans-77.783.1169.3-88.4-87.7000111D202 P207D202-Y205 HydrophobicContact CB-CD2 4.11Å; D202-Y205 HydrophobicContact CB-CE2 4.01Å; Y205-P207 WeakPolarHBondContact O-CD 3.25Å
206D48.4Very low53.1Low84 Ų84121.5 Ų121.545%0.44967%0.668SS.*  trans-82.2107.1171.1-175.93.5000111.3D204 L208 K209D204-D206 PolarHBondContact O-N 2.04Å; D204-D206 VanDerWaalsContact O-N 3.08Å; D206-L208 PolarHBondContact O-N 2.89Å; D206-L208 VanDerWaalsContact O-N 3.14Å; D206-L208 VanDerWaalsContact OD1-CB 3.3Å; D206-L208 WeakPolarHBondContact OD1-CB 3.45Å; D206-L208 WeakPolarHBondContact OD1-CG 3.31Å; D206-L208 PolarHBondContact OD1-N 2.86Å; D206-L208 VanDerWaalsContact OD1-N 3.08Å; D206-K209 WeakPolarHBondContact O-CB 3.32Å; D206-K209 PolarHBondContact O-N 2.88Å; D206-K209 VanDerWaalsContact O-N 3.11Å
207P57.2Low54.9Low99 Ų99122.6 Ų122.664%0.64366%0.66SS**Hα-helixtrans-64.3-18.6-178.227.8-35.8000113.4Y205 K209 Q210 Q211Y205-P207 WeakPolarHBondContact O-CD 3.25Å; P207-K209 VanDerWaalsContact C-N 3.26Å; P207-K209 PolarHBondContact O-N 2.92Å; P207-Q210 PolarHBondContact O-N 2.94Å; P207-Q211 PolarHBondContact O-N 2.81Å
208L50.9Low57Low115 Ų115117.9 Ų117.960%0.60264%0.644SS**Hα-helixtrans-64.7-33175.7-60.6174.2000111.7D206 Q211 S212D206-L208 PolarHBondContact O-N 2.89Å; D206-L208 VanDerWaalsContact O-N 3.14Å; D206-L208 VanDerWaalsContact OD1-CB 3.3Å; D206-L208 WeakPolarHBondContact OD1-CB 3.45Å; D206-L208 WeakPolarHBondContact OD1-CG 3.31Å; D206-L208 PolarHBondContact OD1-N 2.86Å; D206-L208 VanDerWaalsContact OD1-N 3.08Å; L208-Q211 PolarHBondContact O-N 3.17Å; L208-S212 PolarHBondContact O-N 2.03Å; L208-S212 VanDerWaalsContact O-N 3.08Å
209K53.4Low59.2Low143 Ų143114.2 Ų114.262%0.62263%0.629SS**Hα-helixtrans-69-42.6178.7-160.5174.3-179.2-177.60111.1D206 P207 Q211 S212 H213D206-K209 WeakPolarHBondContact O-CB 3.32Å; D206-K209 PolarHBondContact O-N 2.88Å; D206-K209 VanDerWaalsContact O-N 3.11Å; P207-K209 VanDerWaalsContact C-N 3.26Å; P207-K209 PolarHBondContact O-N 2.92Å; K209-Q211 VanDerWaalsContact C-N 3.34Å; K209-Q211 PolarHBondContact O-N 2.95Å; K209-S212 WeakPolarHBondContact O-CB 3.29Å; K209-S212 PolarHBondContact O-N 3.45Å; K209-S212 PolarHBondContact O-OG 2.89Å; K209-H213 PolarHBondContact O-CD2 2.03Å; K209-H213 VanDerWaalsContact O-CD2 3.22Å; K209-H213 PolarHBondContact O-N 3.04Å
210Q48.8Very low61.1Low152 Ų152109 Ų10971%0.7161%0.605SS**Hα-helixtrans-58.2-43.7173.9-161.887.5-22.300111.9P207 S212 H213 N214P207-Q210 PolarHBondContact O-N 2.94Å; Q210-S212 VanDerWaalsContact C-N 3.34Å; Q210-S212 PolarHBondContact O-N 3.35Å; Q210-H213 PolarHBondContact O-N 3.09Å; Q210-N214 PolarHBondContact O-N 2.91Å
211Q53.8Low63.8Low127 Ų127108 Ų10859%0.59359%0.594SS**Hα-helixtrans-64.1-38.6177.5-172.9171.7-800111.7P207 L208 K209 H213 N214 T215P207-Q211 PolarHBondContact O-N 2.81Å; L208-Q211 PolarHBondContact O-N 3.17Å; K209-Q211 VanDerWaalsContact C-N 3.34Å; K209-Q211 PolarHBondContact O-N 2.95Å; Q211-H213 VanDerWaalsContact C-N 3.33Å; Q211-H213 PolarHBondContact O-N 3.35Å; Q211-N214 PolarHBondContact O-N 2.84Å; Q211-T215 WeakPolarHBondContact O-CB 3.38Å; Q211-T215 PolarHBondContact O-N 3.13Å; Q211-T215 PolarHBondContact O-OG1 2.83Å; Q211-T215 VanDerWaalsContact O-OG1 3.06Å
212S58.6Low66Low69 Ų69106.1 Ų106.148%0.48358%0.58SS.*Hα-helixtrans-61-37.7177.8810000113.2L208 K209 Q210 G216L208-S212 PolarHBondContact O-N 2.03Å; L208-S212 VanDerWaalsContact O-N 3.08Å; K209-S212 WeakPolarHBondContact O-CB 3.29Å; K209-S212 PolarHBondContact O-N 3.45Å; K209-S212 PolarHBondContact O-OG 2.89Å; Q210-S212 VanDerWaalsContact C-N 3.34Å; Q210-S212 PolarHBondContact O-N 3.35Å; S212-G216 PolarHBondContact O-N 3.45Å
213H63.6Low68.4Low105 Ų105104.5 Ų104.549%0.48657%0.574SS.*Hα-helixtrans-65.3-51.5175.2-74.7-73000112.1K209 Q210 Q211 T215 G216 F217K209-H213 PolarHBondContact O-CD2 2.03Å; K209-H213 VanDerWaalsContact O-CD2 3.22Å; K209-H213 PolarHBondContact O-N 3.04Å; Q210-H213 PolarHBondContact O-N 3.09Å; Q211-H213 VanDerWaalsContact C-N 3.33Å; Q211-H213 PolarHBondContact O-N 3.35Å; H213-T215 PolarHBondContact O-N 3.26Å; H213-G216 PolarHBondContact O-N 3.41Å; H213-F217 HydrophobicContact CB-CE2 4.3Å; H213-F217 WeakPolarHBondContact O-CD2 3.45Å; H213-F217 PolarHBondContact O-N 2.82Å
214N69.4Low70.3Confident114 Ų114103.2 Ų103.261%0.6156%0.564SS**Hα-helixtrans-62.5-45.4-179.8-166.814000112Q210 Q211 G216 F217 V218Q210-N214 PolarHBondContact O-N 2.91Å; Q211-N214 PolarHBondContact O-N 2.84Å; N214-G216 VanDerWaalsContact C-N 3.3Å; N214-G216 PolarHBondContact O-N 2.86Å; N214-F217 PolarHBondContact O-N 3.13Å; N214-V218 PolarHBondContact O-N 3.15Å; N214-V218 VanDerWaalsContact O-N 3.15Å
215T74.5Confident72.4Confident65 Ų65102.4 Ų102.440%0.39955%0.553SS.*Hα-helixtrans-62.8-36.6175.1-560000111.9Q211 H213 V218 I219Q211-T215 WeakPolarHBondContact O-CB 3.38Å; Q211-T215 PolarHBondContact O-N 3.13Å; Q211-T215 PolarHBondContact O-OG1 2.83Å; Q211-T215 VanDerWaalsContact O-OG1 3.06Å; H213-T215 PolarHBondContact O-N 3.26Å; T215-V218 PolarHBondContact O-N 2.61Å; T215-I219 HydrophobicContact CG2-CD1 3.73Å; T215-I219 HydrophobicContact CG2-CG1 4.29Å; T215-I219 WeakPolarHBondContact O-CG1 3.41Å; T215-I219 PolarHBondContact O-N 3.34Å
216G78.6Confident74.5Confident42 Ų4298.6 Ų98.643%0.43354%0.544SS..Hα-helixtrans-61.3-41.1173.700000113.6S212 H213 N214 G220S212-G216 PolarHBondContact O-N 3.45Å; H213-G216 PolarHBondContact O-N 3.41Å; N214-G216 VanDerWaalsContact C-N 3.3Å; N214-G216 PolarHBondContact O-N 2.86Å; G216-G220 WeakPolarHBondContact O-CA 3.33Å; G216-G220 PolarHBondContact O-N 3.14Å
217F81Confident76.8Confident152 Ų15298.8 Ų98.867%0.66755%0.548SS*.Hα-helixtrans-66.9-39.4175.1-67.3-61.1000112.6H213 N214 G221H213-F217 HydrophobicContact CB-CE2 4.3Å; H213-F217 WeakPolarHBondContact O-CD2 3.45Å; H213-F217 PolarHBondContact O-N 2.82Å; N214-F217 PolarHBondContact O-N 3.13Å; F217-G221 PolarHBondContact O-N 3.48Å
218V87.3Confident78.5Confident91 Ų9197 Ų9755%0.55254%0.541SS*.Hα-helixtrans-66.3-49.1176.7176.90000111.1N214 T215 G221 V222N214-V218 PolarHBondContact O-N 3.15Å; N214-V218 VanDerWaalsContact O-N 3.15Å; T215-V218 PolarHBondContact O-N 2.61Å; V218-G221 PolarHBondContact O-N 2.88Å; V218-V222 WeakPolarHBondContact O-CG2 3.43Å; V218-V222 PolarHBondContact O-N 2.86Å
219I88.7Confident80.7Confident104 Ų10494.3 Ų94.353%0.53353%0.53SS..Hα-helixtrans-64.5-45.8178.7-65.7173.2000110.5T215 G221 V222 V223T215-I219 HydrophobicContact CG2-CD1 3.73Å; T215-I219 HydrophobicContact CG2-CG1 4.29Å; T215-I219 WeakPolarHBondContact O-CG1 3.41Å; T215-I219 PolarHBondContact O-N 3.34Å; I219-G221 PolarHBondContact O-N 3.41Å; I219-V222 PolarHBondContact O-N 3Å; I219-V223 WeakPolarHBondContact O-CG2 3.25Å; I219-V223 PolarHBondContact O-N 2.96Å
220G88.5Confident82.5Confident33 Ų3390.2 Ų90.234%0.3452%0.523SS..Hα-helixtrans-59.9-44.1176.700000112.5G216 V222 V223 V224G216-G220 WeakPolarHBondContact O-CA 3.33Å; G216-G220 PolarHBondContact O-N 3.14Å; G220-V222 PolarHBondContact O-N 2.95Å; G220-V223 PolarHBondContact O-N 2.79Å; G220-V224 WeakPolarHBondContact O-CB 3.33Å; G220-V224 VanDerWaalsContact O-CG2 3.31Å; G220-V224 WeakPolarHBondContact O-CG2 3.48Å; G220-V224 PolarHBondContact O-N 2.81Å
221G92.3Very high84.6Confident43 Ų4387 Ų8744%0.44351%0.513SS..Hα-helixtrans-60.3-44176.100000112.9F217 V218 I219 F225F217-G221 PolarHBondContact O-N 3.48Å; V218-G221 PolarHBondContact O-N 2.88Å; I219-G221 PolarHBondContact O-N 3.41Å; G221-F225 VanDerWaalsContact O-CB 3.28Å; G221-F225 WeakPolarHBondContact O-CB 3.34Å; G221-F225 PolarHBondContact O-N 2.97Å
222V95.3Very high86.4Confident88 Ų8882.6 Ų82.653%0.53350%0.502SS..Hα-helixtrans-64.2-43.5175.6173.20000111.4V218 I219 G220 F225 M226V218-V222 WeakPolarHBondContact O-CG2 3.43Å; V218-V222 PolarHBondContact O-N 2.86Å; I219-V222 PolarHBondContact O-N 3Å; G220-V222 PolarHBondContact O-N 2.95Å; V222-F225 PolarHBondContact O-N 2.91Å; V222-M226 HydrophobicContact CG1-CG 4.37Å; V222-M226 WeakPolarHBondContact O-CB 3Å; V222-M226 WeakPolarHBondContact O-CG 3.16Å; V222-M226 PolarHBondContact O-N 2.83Å
223V92.7Very high88Confident85 Ų8583.6 Ų83.652%0.51550%0.501SS..Hα-helixtrans-63.6-46.7178.1172.30000111.3I219 G220 F225 M226 V227I219-V223 WeakPolarHBondContact O-CG2 3.25Å; I219-V223 PolarHBondContact O-N 2.96Å; G220-V223 PolarHBondContact O-N 2.79Å; V223-F225 PolarHBondContact O-N 3.41Å; V223-M226 PolarHBondContact O-N 3.01Å; V223-V227 WeakPolarHBondContact O-CG2 3.13Å; V223-V227 PolarHBondContact O-N 3.16Å
224V94.4Very high89.1Confident103 Ų10385.1 Ų85.162%0.62451%0.507SS*.Hα-helixtrans-61.8-42.8177.4170.90000111.1G220 V227 A228G220-V224 WeakPolarHBondContact O-CB 3.33Å; G220-V224 VanDerWaalsContact O-CG2 3.31Å; G220-V224 WeakPolarHBondContact O-CG2 3.48Å; G220-V224 PolarHBondContact O-N 2.81Å; V224-V227 PolarHBondContact O-N 2.62Å; V224-A228 WeakPolarHBondContact O-CB 3.24Å; V224-A228 PolarHBondContact O-N 3.22Å
225F94.3Very high89.9Confident135 Ų13583.9 Ų83.959%0.59250%0.503SS*.Hα-helixtrans-61.4-45.5176-179.4-100.2000112.2G221 V222 V223 V227 A228 V229G221-F225 VanDerWaalsContact O-CB 3.28Å; G221-F225 WeakPolarHBondContact O-CB 3.34Å; G221-F225 PolarHBondContact O-N 2.97Å; V222-F225 PolarHBondContact O-N 2.91Å; V223-F225 PolarHBondContact O-N 3.41Å; F225-V227 PolarHBondContact O-N 3.16Å; F225-A228 PolarHBondContact O-N 3.4Å; F225-V229 HydrophobicContact CD1-CG2 4.21Å; F225-V229 HydrophobicContact CE1-CG2 3.8Å; F225-V229 HydrophobicContact CE2-CG2 4.16Å; F225-V229 HydrophobicContact CZ-CG2 3.77Å; F225-V229 WeakPolarHBondContact O-CG2 3.43Å; F225-V229 PolarHBondContact O-N 2.71Å
226M93.5Very high90.1Very high122 Ų12284.8 Ų84.860%0.60151%0.511SS*.Hα-helixtrans-64.1-38.4179.2-70.2-68.7-98.800112.3V222 V223 A230V222-M226 HydrophobicContact CG1-CG 4.37Å; V222-M226 WeakPolarHBondContact O-CB 3Å; V222-M226 WeakPolarHBondContact O-CG 3.16Å; V222-M226 PolarHBondContact O-N 2.83Å; V223-M226 PolarHBondContact O-N 3.01Å; M226-A230 WeakPolarHBondContact O-CB 3.07Å; M226-A230 PolarHBondContact O-N 2.96Å
227V95.4Very high90Very high87 Ų8789.1 Ų89.153%0.52752%0.518SS..Hα-helixtrans-65.2-44.7173173.50000111V223 V224 F225 V229 A230 V231V223-V227 WeakPolarHBondContact O-CG2 3.13Å; V223-V227 PolarHBondContact O-N 3.16Å; V224-V227 PolarHBondContact O-N 2.62Å; F225-V227 PolarHBondContact O-N 3.16Å; V227-V229 PolarHBondContact O-N 3.38Å; V227-A230 PolarHBondContact O-N 2.64Å; V227-V231 HydrophobicContact CG1-CG2 4.34Å; V227-V231 WeakPolarHBondContact O-CB 3.36Å; V227-V231 WeakPolarHBondContact O-CG2 3.38Å; V227-V231 PolarHBondContact O-N 3.33Å
228A94.1Very high90Very high61 Ų6185.9 Ų85.950%0.50451%0.508SS..Hα-helixtrans-61.1-42.2177.700000112.3V224 F225 G232V224-A228 WeakPolarHBondContact O-CB 3.24Å; V224-A228 PolarHBondContact O-N 3.22Å; F225-A228 PolarHBondContact O-N 3.4Å; A228-G232 PolarHBondContact O-N 2.78Å
229V95.9Very high89.2Confident59 Ų5987.4 Ų87.436%0.35851%0.507SS..Hα-helixtrans-65.1-45.6174.8171.50000111.2F225 V227 V231 G232 I233F225-V229 HydrophobicContact CD1-CG2 4.21Å; F225-V229 HydrophobicContact CE1-CG2 3.8Å; F225-V229 HydrophobicContact CE2-CG2 4.16Å; F225-V229 HydrophobicContact CZ-CG2 3.77Å; F225-V229 WeakPolarHBondContact O-CG2 3.43Å; F225-V229 PolarHBondContact O-N 2.71Å; V227-V229 PolarHBondContact O-N 3.38Å; V229-V231 PolarHBondContact O-N 3.32Å; V229-G232 PolarHBondContact O-N 3.03Å; V229-I233 HydrophobicContact CG1-CD1 3.7Å; V229-I233 HydrophobicContact CG1-CG1 4.36Å; V229-I233 WeakPolarHBondContact O-CB 3.42Å; V229-I233 VanDerWaalsContact O-CG1 3.26Å; V229-I233 WeakPolarHBondContact O-CG1 3.38Å; V229-I233 PolarHBondContact O-N 3.25Å
230A92.8Very high88.2Confident58 Ų5886.6 Ų86.648%0.47951%0.506SS..Hα-helixtrans-61.5-42.4178.300000112.3M226 V227 K234M226-A230 WeakPolarHBondContact O-CB 3.07Å; M226-A230 PolarHBondContact O-N 2.96Å; V227-A230 PolarHBondContact O-N 2.64Å; A230-K234 VanDerWaalsContact O-CB 3.29Å; A230-K234 WeakPolarHBondContact O-CB 3.23Å; A230-K234 PolarHBondContact O-N 2.83Å
231V93Very high86.8Confident83 Ų8390.8 Ų90.850%0.50352%0.517SS..Hα-helixtrans-67.8-43.8175.2173.80000111V227 V229 I233 K234 V235V227-V231 HydrophobicContact CG1-CG2 4.34Å; V227-V231 WeakPolarHBondContact O-CB 3.36Å; V227-V231 WeakPolarHBondContact O-CG2 3.38Å; V227-V231 PolarHBondContact O-N 3.33Å; V229-V231 PolarHBondContact O-N 3.32Å; V231-I233 PolarHBondContact O-N 2.8Å; V231-K234 WeakPolarHBondContact O-CB 2.99Å; V231-K234 PolarHBondContact O-N 3.11Å; V231-V235 HydrophobicContact CG1-CG2 4.19Å; V231-V235 WeakPolarHBondContact O-CB 3Å; V231-V235 VanDerWaalsContact O-CG2 3.31Å; V231-V235 WeakPolarHBondContact O-CG2 3.4Å; V231-V235 PolarHBondContact O-N 2.96Å
232G91Very high85.3Confident35 Ų3595.3 Ų95.336%0.36153%0.527SS..Hα-helixtrans-59.1-45.8176.600000112.4A228 V229 V235 C236A228-G232 PolarHBondContact O-N 2.78Å; V229-G232 PolarHBondContact O-N 3.03Å; G232-V235 PolarHBondContact O-N 3.48Å; G232-C236 WeakPolarHBondContact O-CB 3.45Å; G232-C236 PolarHBondContact O-N 3.39Å; G232-C236 PolarHBondContact O-SG 3.39Å; G232-C236 VanDerWaalsContact O-SG 3.4Å
233I92.3Very high83.6Confident91 Ų9195.2 Ų95.247%0.46752%0.521SS..Hα-helixtrans-59.2-51.8172.4-70.6171.7000109.9V229 V231 V235 C236 F237V229-I233 HydrophobicContact CG1-CD1 3.7Å; V229-I233 HydrophobicContact CG1-CG1 4.36Å; V229-I233 WeakPolarHBondContact O-CB 3.42Å; V229-I233 VanDerWaalsContact O-CG1 3.26Å; V229-I233 WeakPolarHBondContact O-CG1 3.38Å; V229-I233 PolarHBondContact O-N 3.25Å; V231-I233 PolarHBondContact O-N 2.8Å; I233-V235 VanDerWaalsContact C-N 3.32Å; I233-V235 PolarHBondContact O-N 2.9Å; I233-C236 PolarHBondContact O-N 3.36Å; I233-F237 HydrophobicContact CG2-CD2 3.63Å; I233-F237 HydrophobicContact CG2-CE2 3.84Å; I233-F237 WeakPolarHBondContact O-CB 3.34Å; I233-F237 WeakPolarHBondContact O-CD2 3.43Å; I233-F237 PolarHBondContact O-N 3.01Å
234K86.2Confident81.9Confident137 Ų13793 Ų9360%0.59651%0.511SS*.Hα-helixtrans-56.3-42.8179.6-172.574.9176-177.30112.4A230 V231 N238A230-K234 VanDerWaalsContact O-CB 3.29Å; A230-K234 WeakPolarHBondContact O-CB 3.23Å; A230-K234 PolarHBondContact O-N 2.83Å; V231-K234 WeakPolarHBondContact O-CB 2.99Å; V231-K234 PolarHBondContact O-N 3.11Å; K234-N238 VanDerWaalsContact O-CB 3.27Å; K234-N238 WeakPolarHBondContact O-CB 3.29Å; K234-N238 PolarHBondContact O-N 3.1Å; K234-N238 PolarHBondContact O-OD1 3.06Å
235V86.2Confident80.1Confident88 Ų8893 Ų9353%0.53351%0.507SS..Hα-helixtrans-70.2-45.1179.6171.20000111.3V231 G232 I233 N238 K239V231-V235 HydrophobicContact CG1-CG2 4.19Å; V231-V235 WeakPolarHBondContact O-CB 3Å; V231-V235 VanDerWaalsContact O-CG2 3.31Å; V231-V235 WeakPolarHBondContact O-CG2 3.4Å; V231-V235 PolarHBondContact O-N 2.96Å; G232-V235 PolarHBondContact O-N 3.48Å; I233-V235 VanDerWaalsContact C-N 3.32Å; I233-V235 PolarHBondContact O-N 2.9Å; V235-N238 PolarHBondContact O-N 3.33Å; V235-K239 WeakPolarHBondContact O-CB 3.38Å; V235-K239 PolarHBondContact O-N 3.24Å
236C79Confident78.2Confident83 Ų8393.8 Ų93.856%0.56151%0.513SS*.Hα-helixtrans-61.7-45.8175.6-75.80000112G232 I233 K239 V240G232-C236 WeakPolarHBondContact O-CB 3.45Å; G232-C236 PolarHBondContact O-N 3.39Å; G232-C236 PolarHBondContact O-SG 3.39Å; G232-C236 VanDerWaalsContact O-SG 3.4Å; I233-C236 PolarHBondContact O-N 3.36Å; C236-K239 PolarHBondContact O-N 3.18Å; C236-V240 WeakPolarHBondContact O-CG2 3.42Å; C236-V240 PolarHBondContact O-N 3.1Å
237F77Confident76.3Confident134 Ų13496 Ų9659%0.58852%0.515SS*.Hα-helixtrans-64.6-43.4175.7-86.9-81.3000111.9I233 K239 V240 Q241I233-F237 HydrophobicContact CG2-CD2 3.63Å; I233-F237 HydrophobicContact CG2-CE2 3.84Å; I233-F237 WeakPolarHBondContact O-CB 3.34Å; I233-F237 WeakPolarHBondContact O-CD2 3.43Å; I233-F237 PolarHBondContact O-N 3.01Å; F237-K239 VanDerWaalsContact C-N 3.33Å; F237-K239 PolarHBondContact O-N 3.34Å; F237-V240 PolarHBondContact O-N 2.81Å; F237-Q241 VanDerWaalsContact O-CB 3.28Å; F237-Q241 WeakPolarHBondContact O-CB 3.16Å; F237-Q241 WeakPolarHBondContact O-CG 3.46Å; F237-Q241 PolarHBondContact O-N 3.07Å
238N79.6Confident74.4Confident84 Ų8496.6 Ų96.645%0.44952%0.515SS..Hα-helixtrans-60.7-40175.9-79.61000112.4K234 V235 Q241 Q242K234-N238 VanDerWaalsContact O-CB 3.27Å; K234-N238 WeakPolarHBondContact O-CB 3.29Å; K234-N238 PolarHBondContact O-N 3.1Å; K234-N238 PolarHBondContact O-OD1 3.06Å; V235-N238 PolarHBondContact O-N 3.33Å; N238-Q241 PolarHBondContact O-N 2.91Å; N238-Q242 WeakPolarHBondContact O-CG 3.44Å; N238-Q242 PolarHBondContact O-N 3.36Å
239K71.3Confident72.6Confident122 Ų12299.4 Ų99.453%0.5352%0.521SS..Hα-helixtrans-65.1-45.9176.8-177.7171.1169.545.50112V235 C236 F237 Q241 Q242 E243V235-K239 WeakPolarHBondContact O-CB 3.38Å; V235-K239 PolarHBondContact O-N 3.24Å; C236-K239 PolarHBondContact O-N 3.18Å; F237-K239 VanDerWaalsContact C-N 3.33Å; F237-K239 PolarHBondContact O-N 3.34Å; K239-Q241 VanDerWaalsContact C-N 3.33Å; K239-Q241 PolarHBondContact O-N 2.92Å; K239-Q242 PolarHBondContact O-N 2.84Å; K239-E243 WeakPolarHBondContact CE-OE1 3.36Å; K239-E243 IonicContact NZ-OE1 2.64Å; K239-E243 PolarHBondContact NZ-OE1 3.46Å; K239-E243 WeakPolarHBondContact O-CG 3.47Å; K239-E243 PolarHBondContact O-N 3.23Å
240V66.5Low70.6Confident87 Ų87102.5 Ų102.553%0.52754%0.535SS..Hα-helixtrans-66.6-34.9176.4174.90000111.6C236 F237 E243 A244C236-V240 WeakPolarHBondContact O-CG2 3.42Å; C236-V240 PolarHBondContact O-N 3.1Å; F237-V240 PolarHBondContact O-N 2.81Å; V240-E243 PolarHBondContact O-N 3.38Å; V240-A244 WeakPolarHBondContact O-CB 3.3Å; V240-A244 PolarHBondContact O-N 3.45Å
241Q60.5Low68.9Low121 Ų121105.4 Ų105.457%0.56554%0.54SS*.Hα-helixtrans-69.2-37174.9-72.8-70.6-71.900112.5F237 N238 K239 A244 N245F237-Q241 VanDerWaalsContact O-CB 3.28Å; F237-Q241 WeakPolarHBondContact O-CB 3.16Å; F237-Q241 WeakPolarHBondContact O-CG 3.46Å; F237-Q241 PolarHBondContact O-N 3.07Å; N238-Q241 PolarHBondContact O-N 2.91Å; K239-Q241 VanDerWaalsContact C-N 3.33Å; K239-Q241 PolarHBondContact O-N 2.92Å; Q241-A244 PolarHBondContact O-N 3.45Å; Q241-N245 VanDerWaalsContact O-CB 3.26Å; Q241-N245 WeakPolarHBondContact O-CB 3.43Å; Q241-N245 PolarHBondContact O-N 3.37Å
242Q60.2Low67.2Low138 Ų138105 Ų10565%0.64554%0.54SS*.Hα-helixtrans-64.3-44171.3-76.8174.9-33.100111.5N238 K239 A244 N245 Q246N238-Q242 WeakPolarHBondContact O-CG 3.44Å; N238-Q242 PolarHBondContact O-N 3.36Å; K239-Q242 PolarHBondContact O-N 2.84Å; Q242-A244 VanDerWaalsContact C-N 3.26Å; Q242-A244 PolarHBondContact O-N 3.26Å; Q242-N245 PolarHBondContact O-N 3.06Å; Q242-Q246 WeakPolarHBondContact O-CB 3.4Å; Q242-Q246 PolarHBondContact O-N 3.17Å
243E59.5Low65.6Low87 Ų87113.2 Ų113.241%0.40756%0.56SS.*Hα-helixtrans-68.5-20.9176.1-70.4174.2-157.900113.7K239 V240 R247K239-E243 WeakPolarHBondContact CE-OE1 3.36Å; K239-E243 IonicContact NZ-OE1 2.64Å; K239-E243 PolarHBondContact NZ-OE1 3.46Å; K239-E243 WeakPolarHBondContact O-CG 3.47Å; K239-E243 PolarHBondContact O-N 3.23Å; V240-E243 PolarHBondContact O-N 3.38Å; E243-R247 PolarHBondContact O-NH1 3.08Å
244A56.8Low63.9Low38 Ų38112 Ų11231%0.31456%0.563SS.*Hα-helixtrans-81.5-51.5170.900000111.6V240 Q241 Q242 Q246 R247 D248V240-A244 WeakPolarHBondContact O-CB 3.3Å; V240-A244 PolarHBondContact O-N 3.45Å; Q241-A244 PolarHBondContact O-N 3.45Å; Q242-A244 VanDerWaalsContact C-N 3.26Å; Q242-A244 PolarHBondContact O-N 3.26Å; A244-Q246 VanDerWaalsContact C-N 3.26Å; A244-Q246 PolarHBondContact O-N 3.09Å; A244-R247 WeakPolarHBondContact O-CA 3.36Å; A244-R247 WeakPolarHBondContact O-CB 3.47Å; A244-R247 PolarHBondContact O-N 2.68Å; A244-D248 PolarHBondContact O-N 3.43Å
245N56.8Low62.7Low102 Ų102110 Ų11055%0.54556%0.559SS.*Hα-helixtrans-62.4-31.9-177.3-163.30.9000112.3Q241 Q242 R247 D248 L249Q241-N245 VanDerWaalsContact O-CB 3.26Å; Q241-N245 WeakPolarHBondContact O-CB 3.43Å; Q241-N245 PolarHBondContact O-N 3.37Å; Q242-N245 PolarHBondContact O-N 3.06Å; N245-R247 VanDerWaalsContact C-N 3.25Å; N245-R247 PolarHBondContact O-N 3.12Å; N245-D248 PolarHBondContact O-N 2.66Å; N245-L249 PolarHBondContact O-N 3.03Å
246Q54Low61.6Low153 Ų153109 Ų10972%0.71555%0.552SS**Hα-helixtrans-72-13.8173.7-167.5161.4-9.800114Q242 A244Q242-Q246 WeakPolarHBondContact O-CB 3.4Å; Q242-Q246 PolarHBondContact O-N 3.17Å; A244-Q246 VanDerWaalsContact C-N 3.26Å; A244-Q246 PolarHBondContact O-N 3.09Å
247R55.3Low60.6Low168 Ų168109.3 Ų109.363%0.63455%0.549SS*.Hα-helixtrans-85.3-32.8169.8-67-178.2176102.6-8.4112.4E243 A244 N245 L249 N250 M251E243-R247 PolarHBondContact O-NH1 3.08Å; A244-R247 WeakPolarHBondContact O-CA 3.36Å; A244-R247 WeakPolarHBondContact O-CB 3.47Å; A244-R247 PolarHBondContact O-N 2.68Å; N245-R247 VanDerWaalsContact C-N 3.25Å; N245-R247 PolarHBondContact O-N 3.12Å; R247-L249 VanDerWaalsContact C-N 3.33Å; R247-L249 PolarHBondContact O-N 2.97Å; R247-N250 PolarHBondContact O-N 3.46Å; R247-M251 PolarHBondContact O-N 2.77Å
248D53.5Low59.4Low100 Ų100108.6 Ų108.654%0.53555%0.549SS..Hα-helixtrans-69.5-27.1179.4-74-35000113.4A244 N245 N250 M251 P252A244-D248 PolarHBondContact O-N 3.43Å; N245-D248 PolarHBondContact O-N 2.66Å; D248-N250 VanDerWaalsContact C-N 3.29Å; D248-N250 PolarHBondContact O-N 3.11Å; D248-M251 PolarHBondContact O-N 3.41Å; D248-P252 WeakPolarHBondContact O-CD 3.03Å
249L57Low58.3Low119 Ų119110.1 Ų110.162%0.62356%0.556SS**THydrogen-bonded Turntrans-70.9-19.6175.5-68.4172.3000114.2N245 R247N245-L249 PolarHBondContact O-N 3.03Å; R247-L249 VanDerWaalsContact C-N 3.33Å; R247-L249 PolarHBondContact O-N 2.97Å
250N55Low57.6Low124 Ų124113 Ų11366%0.66356%0.563SS**THydrogen-bonded Turntrans-97.2-20.5176.5-83.430.1000113.4R247 D248R247-N250 PolarHBondContact O-N 3.46Å; D248-N250 VanDerWaalsContact C-N 3.29Å; D248-N250 PolarHBondContact O-N 3.11Å
251M57.2Low56.8Low119 Ų119115.7 Ų115.759%0.58657%0.57SS**Hα-helixtrans-59.8-42.2179.1-159.28082.200114.9R247 D248 R253 A254 L255R247-M251 PolarHBondContact O-N 2.77Å; D248-M251 PolarHBondContact O-N 3.41Å; M251-R253 PolarHBondContact O-N 3.27Å; M251-A254 PolarHBondContact O-N 3.26Å; M251-L255 PolarHBondContact O-N 2.74Å
252P57Low55.9Low76 Ų76117.7 Ų117.749%0.49458%0.579SS.*Hα-helixtrans-73.3-24.8-174.327.4-35000113.6D248 V256D248-P252 WeakPolarHBondContact O-CD 3.03Å; P252-V256 VanDerWaalsContact O-CB 3.32Å; P252-V256 WeakPolarHBondContact O-CB 3.49Å; P252-V256 WeakPolarHBondContact O-CG2 2.98Å; P252-V256 PolarHBondContact O-N 3.39Å
253R57.6Low55.1Low206 Ų206115.8 Ų115.878%0.77758%0.582SS**Hα-helixtrans-73.8-43.7174.5-81.5-168.6173.898.7-2.6112M251 L255 V256 D257M251-R253 PolarHBondContact O-N 3.27Å; R253-L255 PolarHBondContact O-N 3.04Å; R253-V256 PolarHBondContact O-N 3.22Å; R253-D257 WeakPolarHBondContact O-CB 3.05Å; R253-D257 PolarHBondContact O-N 3.37Å
254A56.4Low53.8Low65 Ų65116.7 Ų116.754%0.53760%0.598SS.*Hα-helixtrans-65.3-39179.400000112.7M251 M258M251-A254 PolarHBondContact O-N 3.26Å; A254-M258 WeakPolarHBondContact O-CB 3.12Å; A254-M258 PolarHBondContact O-N 3.31Å
255L60Low53.4Low96 Ų96120.1 Ų120.150%0.50362%0.617SS.*Hα-helixtrans-67.9-42177.2-159.789.4000112.2M251 R253 D257 M258 L259M251-L255 PolarHBondContact O-N 2.74Å; R253-L255 PolarHBondContact O-N 3.04Å; L255-D257 VanDerWaalsContact C-N 3.33Å; L255-M258 HydrophobicContact CD1-CE 3.93Å; L255-M258 PolarHBondContact O-N 3.19Å; L255-L259 HydrophobicContact CD2-CD1 4.39Å; L255-L259 HydrophobicContact CG-CD1 4.39Å; L255-L259 WeakPolarHBondContact O-CB 3.22Å; L255-L259 WeakPolarHBondContact O-CG 3.22Å; L255-L259 PolarHBondContact O-N 3.33Å
256V62.3Low52.3Low66 Ų66121.2 Ų121.240%0.463%0.626SS.*Hα-helixtrans-68.5-32.6178.2167.50000111.9P252 R253 R260P252-V256 VanDerWaalsContact O-CB 3.32Å; P252-V256 WeakPolarHBondContact O-CB 3.49Å; P252-V256 WeakPolarHBondContact O-CG2 2.98Å; P252-V256 PolarHBondContact O-N 3.39Å; R253-V256 PolarHBondContact O-N 3.22Å; V256-R260 VanDerWaalsContact CG1-NH1 3.27Å; V256-R260 WeakPolarHBondContact O-CG 3.47Å; V256-R260 PolarHBondContact O-N 3.43Å; V256-R260 VanDerWaalsContact O-N 3.1Å
257D58.2Low51.6Low90 Ų90122.6 Ų122.648%0.48163%0.633SS.*Hα-helixtrans-73.5-40.9176.6-155.124.4000111.7R253 L255 L259 R260 H261R253-D257 WeakPolarHBondContact O-CB 3.05Å; R253-D257 PolarHBondContact O-N 3.37Å; L255-D257 VanDerWaalsContact C-N 3.33Å; D257-L259 VanDerWaalsContact C-N 3.34Å; D257-L259 PolarHBondContact O-N 3.18Å; D257-R260 PolarHBondContact O-N 3.4Å; D257-R260 VanDerWaalsContact O-N 3.17Å; D257-H261 PolarHBondContact O-N 3.22Å; D257-H261 VanDerWaalsContact O-N 3.11Å; D257-H261 PolarHBondContact O-ND1 2.04Å; D257-H261 IonicContact OD1-CE1 3.25Å; D257-H261 PolarHBondContact OD1-CE1 3.37Å; D257-H261 VanDerWaalsContact OD1-CE1 3.25Å; D257-H261 IonicContact OD1-ND1 3.45Å; D257-H261 PolarHBondContact OD1-ND1 2.93Å
258M53.6Low50.7Low120 Ų120123.4 Ų123.459%0.59164%0.644SS**Hα-helixtrans-62.4-38172.4-177.7170.454.700112.6A254 L255 H261 Q262A254-M258 WeakPolarHBondContact O-CB 3.12Å; A254-M258 PolarHBondContact O-N 3.31Å; L255-M258 HydrophobicContact CD1-CE 3.93Å; L255-M258 PolarHBondContact O-N 3.19Å; M258-H261 PolarHBondContact O-N 3.47Å; M258-Q262 PolarHBondContact O-N 3.43Å
259L55.6Low49.7Very low115 Ų115124.8 Ų124.860%0.60265%0.651SS**Hα-helixtrans-70.2-28.8174.5-74.7166.7000113L255 D257L255-L259 HydrophobicContact CD2-CD1 4.39Å; L255-L259 HydrophobicContact CG-CD1 4.39Å; L255-L259 WeakPolarHBondContact O-CB 3.22Å; L255-L259 WeakPolarHBondContact O-CG 3.22Å; L255-L259 PolarHBondContact O-N 3.33Å; D257-L259 VanDerWaalsContact C-N 3.34Å; D257-L259 PolarHBondContact O-N 3.18Å
260R56.2Low48.6Very low182 Ų182124.7 Ų124.769%0.68765%0.648SS**Hα-helixtrans-76.2-25.3174.1-81.3-172.3171.3116.82.1114.1V256 D257V256-R260 VanDerWaalsContact CG1-NH1 3.27Å; V256-R260 WeakPolarHBondContact O-CG 3.47Å; V256-R260 PolarHBondContact O-N 3.43Å; V256-R260 VanDerWaalsContact O-N 3.1Å; D257-R260 PolarHBondContact O-N 3.4Å; D257-R260 VanDerWaalsContact O-N 3.17Å
261H49.3Very low48.1Very low144 Ų144128.6 Ų128.667%0.66765%0.653SS**THydrogen-bonded Turntrans-88.7-4.4178.5-72.783.9000114.3D257 M258D257-H261 PolarHBondContact O-N 3.22Å; D257-H261 VanDerWaalsContact O-N 3.11Å; D257-H261 PolarHBondContact O-ND1 2.04Å; D257-H261 IonicContact OD1-CE1 3.25Å; D257-H261 PolarHBondContact OD1-CE1 3.37Å; D257-H261 VanDerWaalsContact OD1-CE1 3.25Å; D257-H261 IonicContact OD1-ND1 3.45Å; D257-H261 PolarHBondContact OD1-ND1 2.93Å; M258-H261 PolarHBondContact O-N 3.47Å
262Q42.5Very low46.9Very low163 Ų163129 Ų12976%0.76266%0.658SS**THydrogen-bonded Turntrans-89.1-5.1175.6-81.5-77-55.600114.1M258M258-Q262 PolarHBondContact O-N 3.43Å
263S42.7Very low45.8Very low99 Ų99132 Ų13269%0.69267%0.67SS**SBendtrans-110.859.1-177.266.30000113.8
264S33.4Very low44.8Very low106 Ų106127.5 Ų127.574%0.74167%0.67SS**  trans-154.7129.6153.6-170.60000110.4
265P48.9Very low43.7Very low110 Ų110131.5 Ų131.571%0.71469%0.687SS**  trans-83.4-173.4172.436.9-35.5000111.4
266V33.7Very low42.6Very low124 Ų124131.2 Ų131.275%0.75270%0.699SS**  trans85.492.7-178.6-172.10000111.4
267Q37.8Very low41.1Very low183 Ų183136.3 Ų136.386%0.85572%0.723SS**  86.5153.174.5-171.5-177.396.500111.3
268Q36.6Very low40Very low185 Ų185138 Ų13886%0.86474%0.737SS**  trans84135.3174.9-149.51728.600115.4
269D31.8Very low39Very low128 Ų128138.9 Ų138.968%0.68475%0.749SS**  cis-178.9166.4-23.6-173.321.6000106.6
270E34.4Very low37.8Very low118 Ų118137.9 Ų137.955%0.55176%0.757SS**  trans23.7112.2153.6-87.7-158.2168.900122
271R44.3Very low36.6Very low205 Ų205137.1 Ų137.177%0.77477%0.766SS**  154.6115.8114.4-85.2145.8-163-165.35.5111.5
272N32.4Very low35.8Very low127 Ų127133.1 Ų133.168%0.67976%0.764SS**  71.1107.777.4-80-26.3000115.6
273N33.3Very low35.2Very low140 Ų140135.2 Ų135.275%0.74977%0.774SS**  trans58.2104130.4-53.3-23.6000121
274S36.6Very low34.8Very low112 Ų112134.1 Ų134.178%0.78378%0.778SS**  179.9120.7128.6300000107.6
275V33.8Very low34.9Very low149 Ų149135.5 Ų135.590%0.90378%0.783SS**  49.887.366.8-171.50000112.5
276A36.2Very low34.2Very low90 Ų90138.9 Ų138.974%0.74479%0.794SS**  trans-158.569.5158.600000110.9T278A276-T278 PolarHBondContact O-N 3.32Å
277L31.6Very low34.1Very low173 Ų173136.4 Ų136.491%0.90679%0.793SS**  trans-77.6102.5158-78.1170.9000107.6
278T35.9Very low34.1Very low126 Ų126139.4 Ų139.477%0.77380%0.797SS**  trans-98.886.916857.80000109.6A276 A280A276-T278 PolarHBondContact O-N 3.32Å; T278-A280 PolarHBondContact O-N 3.38Å
279V32.8Very low34.1Very low138 Ų138135 Ų13584%0.83679%0.792SS**  trans-66.9119.2153.51760000106.1
280A29.6Very low34.8Very low94 Ų94134.3 Ų134.378%0.77780%0.795SS**  trans-109115.5177.600000109.1T278T278-A280 PolarHBondContact O-N 3.38Å
281D30.8Very low34.7Very low165 Ų165137.8 Ų137.888%0.88281%0.808SS**  trans-149.8144.1163.8-150-8.7000109.7
282G32.3Very low34.2Very low61 Ų61135.3 Ų135.363%0.62981%0.81SS**SBendtrans80.398.5167.700000119.9
283Q30.8Very low34.2Very low206 Ų206136.7 Ų136.796%0.96382%0.816SS**  81.5106.3129.7-154.5152.3-9.400120.9
284G33.8Very low33.8Very low76 Ų76139.6 Ų139.678%0.78482%0.818SS**  trans169.7133.5166.700000112.1
285T34.6Very low33.6Very low136 Ų136137.9 Ų137.983%0.83481%0.811SS**  trans-105.1148.4-163.353.80000116
286L34.6Very low34.2Very low180 Ų180136.2 Ų136.294%0.94280%0.803SS**  trans82.1110.9147.9-136.3125.7000118.7
287G32.9Very low33.9Very low72 Ų72135.1 Ų135.174%0.74280%0.8SS**  trans-174.141.8-178.600000119.8
288R36Very low34.4Very low246 Ų246133.3 Ų133.393%0.92880%0.796SS**  trans48.9123.8163.6-71.5-174.6169.397.2-1.2121
289A37.6Very low35.3Very low93 Ų93133.2 Ų133.277%0.76980%0.798SS**  trans-81.6168.815100000110.3
290P45.6Very low35.1Very low114 Ų114132.5 Ų132.574%0.7480%0.799SS**  -140.7-166.76235.2-11.8000111.8
291K33.8Very low35.1Very low191 Ų191136.1 Ų136.183%0.8380%0.797SS**  cis-132.7-161.514.1-66.4178.7175.8179.70111.1
292N32.5Very low35.3Very low152 Ų152133.6 Ų133.681%0.81378%0.784SS**  trans-132.9174.5-172.5-81.2-64.5000113.5
293L32.2Very low35.3Very low156 Ų156137.5 Ų137.582%0.81779%0.79SS**  trans84.3116147.3-107.370.2000119.9
294Y25.7Very low35.6Very low202 Ų202139.4 Ų139.479%0.79279%0.789SS**  -161.5145.492.7-157.9-102.2000112.4
295A32.4Very low35.7Very low75 Ų75144.2 Ų144.262%0.6280%0.795SS**  trans-149.5168.5174.400000108.4
296P46.3Very low35.6Very low115 Ų115141.3 Ų141.375%0.74779%0.793SS**  trans-82.7154.9-136.233.5-38.6000116.6
297G29.8Very low35.3Very low66 Ų66140 Ų14068%0.6879%0.787SS**  trans-87.6155.2172.400000114.2
298V42.1Very low35.7Very low136 Ų136143.1 Ų143.182%0.82479%0.785SS**  trans-134.6-165.7-172.5-146.10000110.2
299P55.5Low35.7Very low123 Ų123140.7 Ų140.780%0.79979%0.785SS**  -105.8172.6-120.141.6-27.4000117.2
300S28Very low35.4Very low124 Ų124143.7 Ų143.787%0.86778%0.783SS**  trans-179.6157.2162.5-175.50000111.5
301K30.3Very low34.8Very low169 Ų169144 Ų14474%0.73578%0.778SS**  cis-167.2144.3-38.5179.5168.8174.4177.50111.2
302D35.6Very low34.9Very low113 Ų113142.7 Ų142.760%0.60477%0.772SS**  trans44.7127.6158.7-62.6-4.7000126.3
303N32.2Very low34.9Very low143 Ų143142.8 Ų142.877%0.76577%0.771SS**  trans62.4118133.5-65.4-34.6000123.7
304R36.8Very low35Very low246 Ų246142.2 Ų142.293%0.92876%0.764SS**  -177.8146.4104.9-97.2172.3-165.9-120.42.4113.1
305L35.5Very low35.3Very low176 Ų176138.5 Ų138.592%0.92177%0.768SS**  trans-81.2150.5160.9-71.189.2000110
306G32.1Very low35.6Very low76 Ų76141 Ų14178%0.78478%0.781SS**  trans145.6112.2151.100000118.6
307N29.5Very low34.9Very low152 Ų152139.4 Ų139.481%0.81379%0.785SS**  trans87.8147.5139.8-14714.4000121.3
308L40.7Very low35.2Very low137 Ų137141.9 Ų141.972%0.71779%0.792SS**  trans-74.8146.9-174.7-69.455.8000112.4
309Q35.3Very low34.4Very low195 Ų195141 Ų14191%0.91179%0.792SS**  trans-148.3138.3136.7-73.7-152.4-5.100114
310H32.5Very low34.3Very low157 Ų157140.2 Ų140.273%0.72779%0.787SS**  trans-40.9173.5161.6-70.9-77.2000117.7
311N32.5Very low34.6Very low119 Ų119142.2 Ų142.264%0.63678%0.78SS**  cis-167.4-178-0.8-117.9-12000112.7
312F34.9Very low34.8Very low164 Ų164141.8 Ų141.872%0.71978%0.781SS**  trans87.9136164.3-62.6-76.9000116.7H314F312-H314 AromaticContact CD1-CD2 3.94Å; F312-H314 AromaticContact CD1-NE2 3.55Å; F312-H314 AromaticContact CE1-NE2 3.64Å
313I33.2Very low34.4Very low154 Ų154142.5 Ų142.579%0.7979%0.789SS**  cis-135.6138.732.6-68.1173.7000114.1
314H34Very low34.3Very low144 Ų144139.2 Ų139.267%0.66778%0.782SS**  trans9.4151.5149.7-54.1-105.9000122F312F312-H314 AromaticContact CD1-CD2 3.94Å; F312-H314 AromaticContact CD1-NE2 3.55Å; F312-H314 AromaticContact CE1-NE2 3.64Å
315S32.1Very low33.9Very low124 Ų124133.1 Ų133.187%0.86777%0.772SS**  cis-153.9-17938.6-73.10000115.4
316S38Very low33.9Very low128 Ų128131.7 Ų131.790%0.89576%0.764SS**  trans-118.7171.5-156.851.40000117.4
317G31.6Very low33.9Very low82 Ų82134.4 Ų134.485%0.84576%0.756SS**  trans176.686.4170.900000116.3
318S36Very low34Very low118 Ų118136.6 Ų136.683%0.82575%0.753SS**  trans-69.6155.9-175.652.20000119.4
319S27.2Very low34Very low117 Ų117136.3 Ų136.382%0.81876%0.757SS**  -165.9145.6121.4-156.60000113.6
320P51.5Low34.7Very low107 Ų107132.4 Ų132.470%0.69575%0.748SS**  trans-110.1178.8-169.18.617000113.2
321K34.9Very low34.5Very low165 Ų165135.2 Ų135.272%0.71775%0.753SS**  cis155.6150.2-18.7-100179.2146.8-161.40106.8
322H34.8Very low34.5Very low161 Ų161136.4 Ų136.475%0.74576%0.756SS**  trans70.4153.2162.4-54.3-55.7000116.9
323T28.1Very low34.6Very low128 Ų128135.4 Ų135.479%0.78576%0.758SS**  cis-150.4-178.53.4-1410000113.5
324A29.5Very low34.6Very low74 Ų74134.5 Ų134.561%0.61276%0.755SS**  trans-52.1171.3178.500000115.6
325T28.3Very low34.4Very low118 Ų118131.6 Ų131.672%0.72476%0.756SS**  -173.1138.154.5-9.20000113.1
326I34.5Very low34.5Very low145 Ų145133.3 Ų133.374%0.74475%0.75SS**  50.8120.8124.3-68.1178.5000123
327E31.9Very low34.4Very low133 Ų133134.7 Ų134.762%0.62175%0.747SS**  trans87.4137.9141.3-88.2-174.8141.200127.4
328R32.3Very low34.4Very low199 Ų199135.3 Ų135.375%0.75174%0.744SS**  trans79122.7151.1-70.9179.1-167.896.412.5122
329T41.4Very low34.3Very low130 Ų130134.6 Ų134.680%0.79875%0.745SS**  trans-54.3163.9160.746.70000112.6
330P49.6Very low34.4Very low113 Ų113132.9 Ų132.973%0.73475%0.746SS**  cis-154.8-158.94539.9-14.9000117.3
331R28.7Very low33.4Very low216 Ų216131.5 Ų131.582%0.81575%0.751SS**  trans77.1151.8163.7-76.1-169.5166.7145.5-2.5118.7
332M31.6Very low33.3Very low144 Ų144130.3 Ų130.371%0.70976%0.758SS**  cis-167.3164.9-26.8-127.5162.94000109.8
333N37.3Very low33.2Very low143 Ų143131 Ų13177%0.76577%0.766SS**  trans-22.2158.6164.6-59.9-22000118
334N32.6Very low33.3Very low136 Ų136133 Ų13373%0.72777%0.771SS**  cis-159.3-173.635.1-144.418.2000109.6
335A31.5Very low33.4Very low82 Ų82135.1 Ų135.168%0.67878%0.782SS**  cis-154-162.31100000114.6
336Q33.7Very low33.3Very low161 Ų161134.7 Ų134.775%0.75278%0.783SS**  trans-90.4169.3-177.6-67160.1-92.500112.2
337L34.6Very low33Very low156 Ų156135.2 Ų135.282%0.81778%0.78SS**  -147.8132.250.2-68.1154.1000110.2
338A32.9Very low33Very low96 Ų96135.1 Ų135.179%0.79378%0.779SS**  62.2134.18700000115
339A33.1Very low32.7Very low102 Ų102131.6 Ų131.684%0.84378%0.775SS**  cis-155.6159.42600000116.2
340G28.8Very low32.1Very low81 Ų81131.8 Ų131.884%0.83577%0.772SS**  trans73122.3164.900000116.9
341G31.6Very low31.2Very low78 Ų78132 Ų13280%0.80477%0.771SS**  cis107.6114.625.700000108.6
342T32.6Very low31.4Very low141 Ų141131.5 Ų131.587%0.86578%0.775SS**  cis-142.712932.845.60000115.7
343L31.9Very low31.6Very low175 Ų175130.1 Ų130.192%0.91678%0.779SS**  trans23.1101.1148.6-54.1-178.5000121.2
344L31.1Very low31.6Very low169 Ų169131.1 Ų131.189%0.88578%0.779SS**  trans-103.5147.4139.8-84.9166.2000109.7
345S30.8Very low32Very low120 Ų120130.7 Ų130.784%0.83978%0.784SS**  trans32.8111152.9-174.80000119.7
346S27.1Very low32.2Very low108 Ų108130.9 Ų130.976%0.75578%0.78SS**  trans-133.9112.3158.6-170.70000111.1
347K28.2Very low31.9Very low156 Ų156132.7 Ų132.768%0.67879%0.786SS**  55.4128.7123.5-130.3174.3169.1-171.20117.1
348H30.8Very low31.7Very low131 Ų131132.9 Ų132.961%0.60678%0.782SS**  -159.3143.162.9-102.5-86.5000117.2
349N27.8Very low31.5Very low125 Ų125136.2 Ų136.267%0.66878%0.781SS**  trans67.5148148.1-56.3-13.7000118.3
350N27.1Very low31.5Very low134 Ų134135.7 Ų135.772%0.71777%0.771SS**  cis-148.6159.91.9-141.1-7000114.5
351T30.5Very low32.1Very low119 Ų119139.1 Ų139.173%0.7377%0.77SS**  trans-1.6140.6165.1490000124.8
352K33.1Very low32.3Very low205 Ų205143.7 Ų143.789%0.89177%0.77SS**  trans-53.3161151-93.9175.4174.5176.50112.6
353S36.5Very low32.2Very low114 Ų114142.7 Ų142.780%0.79776%0.759SS**  cis-159.2165.412.3350000113.7
354Q38.4Very low32.5Very low165 Ų165141.6 Ų141.677%0.77175%0.753SS**  trans-46166.1176.4-66.6-69.9-16.700117.3
355P40.8Very low32.6Very low126 Ų126138.1 Ų138.182%0.81875%0.749SS**  cis-133.7-169.822.141.6-21.9000118.1
356S35.9Very low32.8Very low86 Ų86142 Ų14260%0.60175%0.754SS**  trans-84154.2-157.8-33.80000118.2
357F27.4Very low33.2Very low200 Ų200144.6 Ų144.688%0.87776%0.759SS**  172.2153.7120.1-89.9-62.9000113.5
358H29.9Very low33.7Very low159 Ų159142.7 Ų142.774%0.73676%0.762SS**  trans78.8134.7169.7-70.6-74.7000122.7
359H29Very low34.4Very low166 Ų166142 Ų14277%0.76977%0.769SS**  trans21.6154.2137.1-59-41.1000121.8
360S32.4Very low34.5Very low91 Ų91141 Ų14164%0.63677%0.772SS**  cis-179.4142.7-10.9-179.80000108.7
361L42.3Very low34.9Very low153 Ų153143.7 Ų143.780%0.80177%0.774SS**  trans59.6115.8161.6-63.4163.2000121.3
362H35.7Very low35.1Very low175 Ų175145.9 Ų145.981%0.8178%0.776SS**  trans-152.7116.5131-109.262.5000108.7
363N28.9Very low35.3Very low119 Ų119140.7 Ų140.764%0.63677%0.765SS**  56.196.9102.9-92.3-48.5000113.7
364L39.4Very low35.2Very low152 Ų152139.7 Ų139.780%0.79676%0.764SS**  57.3107.477.5-81.272.4000114
365A31.8Very low35.2Very low97 Ų97138.6 Ų138.680%0.80277%0.769SS**  trans-179.774137.600000112.4
366Q36.8Very low34.9Very low202 Ų202142 Ų14294%0.94477%0.77SS**  trans-159.193.8147.6-110.2168.435.300108.5
367L33.9Very low35.1Very low162 Ų162143 Ų14385%0.84878%0.775SS**  trans-96.7173.9168-73.2171.3000108.3
368P39.2Very low35.5Very low116 Ų116142.5 Ų142.575%0.75378%0.776SS**  cis-131.8-159.9637.8-17.5000112.9
369P45.4Very low36.3Very low115 Ų115142.7 Ų142.775%0.74778%0.781SS**  -112.8179.5-61.135.2-20.4000111
370S31Very low37.1Very low106 Ų106141.9 Ų141.974%0.74178%0.782SS**  cis-166.1176.7-20.850.80000108.7
371Y34.2Very low37.6Very low190 Ų190148 Ų14875%0.74579%0.792SS**  trans40.4109.9154.8-128.1-103.5000119.5
372E36Very low37Very low164 Ų164151.8 Ų151.877%0.76680%0.797SS**  cis85.7133.744.3-160.5167.5-150.100115.6
373S36.4Very low37Very low97 Ų97149.4 Ų149.468%0.67880%0.8SS**  trans72.9108.2173.875.20000120
374A35Very low37.5Very low93 Ų93148.8 Ų148.877%0.76981%0.805SS**  trans-155.258.2162.400000112.3K376A374-K376 PolarHBondContact O-N 3.12Å
375T37.9Very low37.4Very low142 Ų142148.9 Ų148.987%0.87181%0.806SS**  trans-74.283.617536.90000111.9P377T375-P377 WeakPolarHBondContact O-CD 3.22Å
376K34.7Very low37.9Very low196 Ų196153.5 Ų153.585%0.85281%0.808SS**  trans-90.9116.8167-71.7179.3177.41760110.7A374A374-K376 PolarHBondContact O-N 3.12Å
377P40.5Very low38.3Very low108 Ų108155.4 Ų155.470%0.70181%0.806SS**  trans-82.4129.7161.631.4-29.8000110.3T375 L379T375-P377 WeakPolarHBondContact O-CD 3.22Å; P377-L379 PolarHBondContact O-N 3.35Å; P377-L379 VanDerWaalsContact O-N 3.13Å
378E34.5Very low38.7Very low189 Ų189154.7 Ų154.788%0.88380%0.802SS**  trans-65.7108.2166.8-82-159.4134.200110.3N380E378-N380 PolarHBondContact O-N 3.22Å
379L47.2Very low38.7Very low164 Ų164158 Ų15886%0.85981%0.807SS**  trans-99.556.6174.3-15387.3000111.8P377P377-L379 PolarHBondContact O-N 3.35Å; P377-L379 VanDerWaalsContact O-N 3.13Å
380N46.2Very low38.8Very low148 Ų148161.7 Ų161.779%0.79181%0.812SS**  trans-133.571.2-176-108.9-27.9000113.3E378E378-N380 PolarHBondContact O-N 3.22Å
381R42.7Very low39.3Very low220 Ų220160 Ų16083%0.8381%0.811SS**SBendtrans-1571.9152.5-130.5179-79.1178-3.8120.1
382Y30.9Very low39.8Very low233 Ų233158.4 Ų158.491%0.91482%0.815SS**  trans-138.787.7169-74.5-73.1000112.2
383S35.4Very low40.1Very low124 Ų124157.2 Ų157.287%0.86781%0.814SS**  trans-110114.8165.1-179.70000109.5
384S37.6Very low40.5Very low107 Ų107161.6 Ų161.675%0.74882%0.823SS**  trans-158.632.4165.5630000112.7K386S384-K386 PolarHBondContact O-N 3.26Å
385L38.6Very low40.9Very low154 Ų154167.4 Ų167.481%0.80683%0.827SS**  trans-79.366.4169.7-129.8170.7000109.3L388L385-L388 HydrophobicContact CD2-CB 4.07Å
386K42.3Very low41.1Very low194 Ų194166.9 Ų166.984%0.84383%0.829SS**  trans-117.728.8179.6-142.7177.5-170.1-179.80112.1S384S384-K386 PolarHBondContact O-N 3.26Å
387R45.8Very low41.4Very low242 Ų242163.5 Ų163.591%0.91383%0.83SS**SBendtrans-15428.1-173.3-129.2176.2-178.2114.3-0115.3
388L41.3Very low41.1Very low146 Ų146161.4 Ų161.476%0.76483%0.828SS**  trans-141.235.5165.6-15378.7000112.4L385 K390L385-L388 HydrophobicContact CD2-CB 4.07Å; L388-K390 VanDerWaalsContact C-N 3.34Å
389E39.8Very low41Very low185 Ų185162.9 Ų162.986%0.86483%0.827SS**SBendtrans-104.534.5170.2-162.9-168.8156.100109.7
390K47.2Very low40.2Very low193 Ų193160.8 Ų160.884%0.83983%0.825SS**SBendtrans-157.889-175.3-165.1154.3-171.31600109.5L388L388-K390 VanDerWaalsContact C-N 3.34Å
391G41.8Very low39.6Very low70 Ų70159.9 Ų159.972%0.72283%0.825SS**SBendtrans134.521.9-17900000116.5D393G391-D393 PolarHBondContact N-OD2 2.75Å
392L43.2Very low38.9Very low158 Ų158156 Ų15683%0.82783%0.826SS**SBendtrans-122.46.5169.1-160.758000112.9E394L392-E394 VanDerWaalsContact C-N 3.35Å
393D43.3Very low39Very low139 Ų139154.5 Ų154.574%0.74382%0.824SS**SBendtrans-91-4.3-173-33-78.8000111.9G391G391-D393 PolarHBondContact N-OD2 2.75Å
394E44.3Very low39Very low188 Ų188160 Ų16088%0.87983%0.826SS**SBendtrans-131.649.3-168.4-161150.4-149.800112.2L392L392-E394 VanDerWaalsContact C-N 3.35Å
395Y43.2Very low38.6Very low216 Ų216166.5 Ų166.585%0.84783%0.834SS**SBendtrans-146.834.2168.2-157-103.2000114.4
396S43.7Very low38.8Very low131 Ų131164 Ų16492%0.91683%0.827SS**SBendtrans-137.823.1172-98.60000114.1
397S41.1Very low38.4Very low125 Ų125163 Ų16387%0.87483%0.825SS**  trans-146.2132.3168.1-170.70000111.3
398G32.5Very low37.8Very low64 Ų64157.8 Ų157.866%0.6682%0.82SS**  trans116112.8-168.800000109.9
399Y32.3Very low37.3Very low219 Ų219155.6 Ų155.686%0.85982%0.823SS**  cis-121.9153.931.4-68.8-99000110.6
400C30.6Very low37.1Very low120 Ų120155.2 Ų155.281%0.81182%0.821SS**  -147.5117.360.4-75.60000114.7
401T33.6Very low36.8Very low130 Ų130151.6 Ų151.680%0.79882%0.817SS**  trans-103.2113.4158.857.30000110.1
402T29.6Very low36.2Very low137 Ų137152.3 Ų152.384%0.8482%0.817SS**  trans-10697.3171.9-61.70000110.7
403K32.6Very low35.6Very low202 Ų202153.4 Ų153.488%0.87882%0.823SS**  trans-81.6137.7159.7-77.9-83.3-173.9174.90108.9
404R34.8Very low35Very low241 Ų241156 Ų15691%0.90983%0.83SS**  trans-57.7154.3177-57.1179.9-175-1730.9112.1
405R29.3Very low34.2Very low242 Ų242151.7 Ų151.791%0.91382%0.821SS**  trans-128.8148.9145.3-110.4-166169.3930.4110
406P43.4Very low33.8Very low103 Ų103145.8 Ų145.867%0.66981%0.811SS**  trans-89.4156.4-171.636.3-34.5000112.1
407H32.5Very low33.2Very low173 Ų173147.6 Ų147.680%0.80181%0.805SS**  -165.5117125.7-101.9-69.3000111.2
408T33.3Very low32.6Very low131 Ų131149.7 Ų149.780%0.80480%0.801SS**  trans39.984.3145.549.40000120.1
409A30.9Very low32.6Very low101 Ų101155 Ų15584%0.83581%0.808SS**  trans-159.6136.1130.400000110.3
410Q36Very low32.7Very low176 Ų176152.7 Ų152.782%0.82281%0.81SS**  trans-92.7159.1162.9-75.9-78.9-33.100107.4
411P41.6Very low32.5Very low117 Ų117155 Ų15576%0.7681%0.808SS**  cis-145.3-171.934.642.6-22.6000117.2
412A28.6Very low32.4Very low86 Ų86160.8 Ų160.871%0.71182%0.816SS**  trans73.5106.715200000119.3
413L31.5Very low32.5Very low181 Ų181157.9 Ų157.995%0.94881%0.813SS**  trans-73.7132.5142.8-71.3165.6000108.2
414Q29.6Very low32.6Very low193 Ų193151.8 Ų151.890%0.90281%0.808SS**  trans-138.3130.3155.2-156.2167.713.100110.1
415S28.5Very low32.6Very low97 Ų97147.3 Ų147.368%0.67880%0.802SS**  trans-73150.4178178.30000110.9Q417S415-Q417 PolarHBondContact OG-N 3.09Å; S415-Q417 VanDerWaalsContact OG-N 3.13Å
416S33Very low32.9Very low93 Ų93146 Ų14665%0.6580%0.798SS**  trans-133.784.2142.1-165.30000110.1H418S416-H418 PolarHBondContact OG-CD2 2.95Å; S416-H418 VanDerWaalsContact OG-CD2 3.32Å; S416-H418 PolarHBondContact OG-NE2 3.33Å; S416-H418 VanDerWaalsContact OG-NE2 3.1Å
417Q31Very low32.6Very low169 Ų169146.9 Ų146.979%0.7980%0.802SS**  trans-90.1107.5158.5-156.8174.914.300106.4S415 H419S415-Q417 PolarHBondContact OG-N 3.09Å; S415-Q417 VanDerWaalsContact OG-N 3.13Å; Q417-H419 PolarHBondContact O-N 3.08Å
418H29.1Very low32.8Very low168 Ų168146.8 Ų146.878%0.77881%0.806SS**  trans-74.5106.8174.9-74.7-93000109.4S416S416-H418 PolarHBondContact OG-CD2 2.95Å; S416-H418 VanDerWaalsContact OG-CD2 3.32Å; S416-H418 PolarHBondContact OG-NE2 3.33Å; S416-H418 VanDerWaalsContact OG-NE2 3.1Å
419H32.9Very low32.7Very low176 Ų176146.5 Ų146.582%0.81581%0.809SS**  trans-131.6154.1159.3-110.6-90.5000110.1Q417Q417-H419 PolarHBondContact O-N 3.08Å
420L34.9Very low32.8Very low170 Ų170145.5 Ų145.589%0.8981%0.81SS**  trans-76165.8-157-69.6163.8000115.1
421H25.4Very low32.8Very low169 Ų169149.4 Ų149.478%0.78282%0.817SS**  trans-99.7112.5-164.3-176.899.3000112.8
422W33Very low32.3Very low252 Ų252147 Ų14796%0.95581%0.813SS**  trans-155.8139154.8-63.4108.6000105.7
423G31Very low32.6Very low75 Ų75149.3 Ų149.377%0.77382%0.818SS**  cis137.495.410.800000107.7
424G33.3Very low32.8Very low75 Ų75148.3 Ų148.377%0.77381%0.813SS**  trans165118.8-176.500000113.3
425D35.8Very low33.3Very low147 Ų147144.7 Ų144.779%0.78681%0.807SS**  trans-83.5-173.2-173.7-63.7-69.7000114.5
426Y35.3Very low33.5Very low214 Ų214150.4 Ų150.484%0.83981%0.813SS**  trans107.883.7168.3-53.1-60000117.4
427T38.3Very low33.6Very low122 Ų122155.3 Ų155.375%0.74883%0.826SS**  trans19124.1131.3600000119
428L36.6Very low33.6Very low170 Ų170151.9 Ų151.989%0.8983%0.826SS**  174.914488.3-157.170.6000111.4
429S31Very low33.8Very low125 Ų125151.9 Ų151.987%0.87483%0.83SS**  trans-76.3142.4177.8-60.30000113.4
430G33.2Very low34Very low81 Ų81154.3 Ų154.384%0.83583%0.832SS**  trans-162.3115.7171.100000114.3
431R35.8Very low34.1Very low257 Ų257151.9 Ų151.997%0.9783%0.826SS**  trans-79142.1168.4-74.6174161.5-178.2-5.3110
432G30.2Very low34.3Very low66 Ų66155.1 Ų155.168%0.6883%0.831SS**  trans174.3108.5166.700000116.6
433T34.8Very low34.8Very low135 Ų135150 Ų15083%0.82882%0.821SS**  trans13.1136.4145.452.90000121.9
434L35.7Very low35.1Very low161 Ų161151.5 Ų151.584%0.84382%0.817SS**  trans-40.1142.6156.3-107.6157.5000113.7
435P39.9Very low35.7Very low117 Ų117153.1 Ų153.176%0.7682%0.815SS**  -137.1160.9121.432.4-18.3000114.3
436R33.8Very low36.5Very low217 Ų217151.6 Ų151.682%0.81981%0.813SS**  trans-76.8141.7168.6-69.3178.7158.8-166.3-7.1109.9
437H34.3Very low36.9Very low196 Ų196147.8 Ų147.891%0.90781%0.814SS**  -175.5161.2120.9-89.1-49.1000111.2
438A32Very low36.9Very low96 Ų96148 Ų14879%0.79382%0.821SS**  trans-95.2148.3-170.600000112.4
439I32.8Very low36.8Very low168 Ų168143.3 Ų143.386%0.86281%0.813SS**  trans-128.3124.1162.9-63.1178.4000107.9
440R36.2Very low37.1Very low228 Ų228146 Ų14686%0.8681%0.814SS**PPolyproline II helixtrans-103.9132.1174.7-172.5-163.5-62-112.36.9107.5
441P38Very low37.7Very low118 Ų118147.2 Ų147.277%0.76681%0.807SS**PPolyproline II helixtrans-65.9145.1177.8-22.334.4000113.2
442W30.5Very low37.4Very low237 Ų237139.4 Ų139.490%0.89880%0.798SS**PPolyproline II helixtrans-94.1144179.5172.533.4000110.5
443I41.6Very low37.7Very low145 Ų145142 Ų14274%0.74481%0.805SS**  trans-120.3134.9175.8-58.2174.9000107.7
444P38.6Very low38.2Very low106 Ų106141.4 Ų141.469%0.68880%0.804SS**PPolyproline II helixtrans-74.1152.5-178.129.8-35.5000113.2
445P46.6Very low38.4Very low110 Ų110140.3 Ų140.371%0.71480%0.804SS**PPolyproline II helixtrans-89150.1-175.535-35.3000114
446P51.7Low38.6Very low115 Ų115140.6 Ų140.675%0.74781%0.806SS**PPolyproline II helixtrans-80.1160.7164.434-33.8000112.2
447P42.9Very low38.9Very low134 Ų134136.7 Ų136.787%0.8780%0.801SS**PPolyproline II helixtrans-72.4152.2-173.929.2-35.7000114.1
448S38.5Very low39Very low127 Ų127132.8 Ų132.889%0.88879%0.793SS**PPolyproline II helixtrans-92.1143.5-17443.70000113.9
449G35.5Very low39.1Very low71 Ų71137.8 Ų137.873%0.73279%0.793SS**  trans-172.178.7178.400000115.5
450M37.3Very low39.5Very low182 Ų182135.6 Ų135.690%0.89779%0.79SS**  trans80.3154.4160-55.4-53.4-81.500119.3
451P44.8Very low39.7Very low106 Ų106133 Ų13369%0.68879%0.792SS**  trans-131.6168.5-138.543.7-29.7000118.9
452A30.9Very low39.7Very low93 Ų93135 Ų13577%0.76980%0.797SS**  trans63.1116.7145.800000122.4
453S35Very low40.4Very low119 Ų119129 Ų12983%0.83279%0.788SS**  175.3162.3122.746.80000111.3
454P45.2Very low40.6Very low124 Ų124128.1 Ų128.181%0.80579%0.792SS**PPolyproline II helixtrans-103.3159.8-151.538.6-35.9000116.8
455T40.5Very low40.4Very low138 Ų138132.2 Ų132.285%0.84780%0.802SS**PPolyproline II helixtrans-74134.1169.1340000112.7
456P43.1Very low40.4Very low123 Ų123132.2 Ų132.280%0.79980%0.801SS**PPolyproline II helixtrans-90.2141.1172.833.9-32.1000112.6
457N40.4Very low39.6Very low134 Ų134136.4 Ų136.472%0.71781%0.811SS**PPolyproline II helixtrans-103.4131171.7176.335.2000109.8
458P36Very low38.9Very low115 Ų115139.6 Ų139.675%0.74781%0.807SS**  trans-124.3101.717034.7-19.2000113.1
459Y34.2Very low38.5Very low201 Ų201140.9 Ų140.979%0.78880%0.804SS**PPolyproline II helixtrans-90.3135.4151.8-91.3-91.5000109
460P42.6Very low38.7Very low122 Ų122140.4 Ų140.479%0.79279%0.788SS**PPolyproline II helixtrans-91147.2155.5-10.529.4000111.4
461L39.4Very low38.4Very low173 Ų173138.3 Ų138.391%0.90678%0.781SS**PPolyproline II helixtrans-98168.9-179.2-70.1160.6000112.2
462D38.2Very low37.7Very low161 Ų161143.4 Ų143.486%0.86179%0.787SS**PPolyproline II helixtrans-66.1170.5179.9-86.8-47000115.3
463P46.3Very low37.8Very low111 Ų111145.9 Ų145.972%0.72179%0.788SS**PPolyproline II helixtrans-99.3172.5-150.239.4-38.4000116.2
464P44Very low37.8Very low126 Ų126146.4 Ų146.482%0.81879%0.786SS**PPolyproline II helixtrans-87.9155.7165.335.3-32.8000113.8
465E35Very low37.3Very low192 Ų192148.3 Ų148.390%0.89779%0.789SS**  trans-92.1-175.7-170.6-112.9-157.6144.500114.2
466P46.6Very low37Very low109 Ų109147.5 Ų147.571%0.70879%0.789SS**  trans-103.4173.3-137.641.8-39000116.3
467Q34.8Very low36.8Very low203 Ų203151.3 Ų151.395%0.94979%0.793SS**  trans-117.9149.3158.1-92.4-169-21.900113
468Y29.3Very low37.3Very low202 Ų202150.4 Ų150.479%0.79279%0.794SS**  trans-103.1139.8-159.6163.6-92.4000112P470Y468-P470 VanDerWaalsContact CE1-CD 3.47Å; Y468-P470 HydrophobicContact CE1-CG 3.8Å; Y468-P470 HydrophobicContact CE2-CB 4.29Å; Y468-P470 HydrophobicContact CE2-CG 4.32Å
469N30Very low37.8Very low154 Ų154150.2 Ų150.282%0.82479%0.793SS**  trans-150.7118.7154.2-157.7-2.2000109.8
470P38.4Very low37.7Very low60 Ų60151 Ų15139%0.3980%0.795SS.*  trans-92.4143.2-176.336.9-33.6000110.5Y468Y468-P470 VanDerWaalsContact CE1-CD 3.47Å; Y468-P470 HydrophobicContact CE1-CG 3.8Å; Y468-P470 HydrophobicContact CE2-CB 4.29Å; Y468-P470 HydrophobicContact CE2-CG 4.32Å
471N31Very low37.2Very low139 Ų139154.4 Ų154.474%0.74380%0.797SS**  trans-172.3129.6141.1-104-48.1000113.7
472Y31.5Very low36.8Very low212 Ų212152.4 Ų152.483%0.83179%0.791SS**  trans65.698.9164.2-69.3-76.3000121.3
473D32.2Very low36.5Very low145 Ų145154 Ų15478%0.77579%0.791SS**  trans-52.2145.6144-73.6-77.8000112.8
474T35.4Very low35.8Very low131 Ų131153.8 Ų153.880%0.80479%0.791SS**  165.4157.1103.940.20000112.4
475L33.9Very low35.3Very low164 Ų164152.9 Ų152.986%0.85979%0.788SS**  trans7294.8157.4-122.275.6000119.5
476S35.1Very low35.2Very low121 Ų121151 Ų15185%0.84679%0.785SS**  165.5162.3109.754.80000113.1
477K37.8Very low34.5Very low203 Ų203154.5 Ų154.588%0.88379%0.791SS**  trans-98.5163.1-169.3-94.8168.6178.4168.50112.7
478P51.5Low34.4Very low114 Ų114152.6 Ų152.674%0.7479%0.787SS**  trans-93.5-179-15338.8-39.8000114.5
479P45.6Very low34.7Very low111 Ų111150.7 Ų150.772%0.72179%0.79SS**  -146.5131.6117.735.1-18.5000117.9
480R33Very low34.7Very low219 Ų219150.2 Ų150.283%0.82679%0.787SS**  64126.8128-68.1-179.8-174.4149.83.6122.8
481K33.1Very low34.5Very low193 Ų193155.7 Ų155.784%0.83981%0.81SS**  trans74.1146.9140.6-66180176.6-170.40116.7
482V30.1Very low34.5Very low130 Ų130152.2 Ų152.279%0.78881%0.806SS**  cis-148148.5-6.2117.90000108.8
483K31.1Very low34.6Very low196 Ų196149.4 Ų149.485%0.85281%0.806SS**  trans-97.8131.2176.1-175.2169.7179.61760109.8
484S32.8Very low34.7Very low105 Ų105148.6 Ų148.673%0.73481%0.806SS**  trans-87147.1167.147.70000110.7
485S34.1Very low35.1Very low108 Ų108148 Ų14876%0.75580%0.804SS**  trans164.1115136.258.10000110.4
486D32.8Very low34.9Very low153 Ų153144 Ų14482%0.81880%0.802SS**  trans-62.7143156.6-60.2-80.9000110.3
487Q31.9Very low34.9Very low181 Ų181145.4 Ų145.485%0.84680%0.801SS**  trans160.9119.2139.1-91171.150.800110.3
488L32.3Very low34.8Very low163 Ų163142.1 Ų142.185%0.85380%0.797SS**  166.1131120-88.7167.4000110.7
489L34.6Very low33.9Very low163 Ų163140 Ų14085%0.85380%0.797SS**  trans-96.9134.8159.4-71.4166.6000107.6
490N31.6Very low33.6Very low143 Ų143140.8 Ų140.877%0.76580%0.8SS**  trans-161.8127.9152-110.2-3.7000112.8
491M32.9Very low33.6Very low176 Ų176138 Ų13887%0.86780%0.801SS**  trans14140.3152.8-71.858.7156.900122
492G31.9Very low33.7Very low65 Ų65133.1 Ų133.167%0.6779%0.79SS**  115.384.9117.700000120.2
493D32.5Very low34Very low154 Ų154138.2 Ų138.282%0.82480%0.795SS**  trans49.2114.8136.3-60.8-51000124.5
494V35Very low34.1Very low128 Ų128137.2 Ų137.278%0.77680%0.796SS**  75.2142127.11790000119.3
495P43.1Very low34.4Very low117 Ų117136.6 Ų136.676%0.7679%0.792SS**  cis-139.8144.8-41.139.7-19.5000116.7
496G31Very low34.7Very low81 Ų81140.7 Ų140.784%0.83580%0.796SS**  trans79.5161.1160.900000117.4
497N35.3Very low35.1Very low151 Ų151139.6 Ų139.681%0.80779%0.79SS**  cis-159.1173.2-3.6-167.916.5000110.8
498T35.4Very low35.7Very low133 Ų133137.3 Ų137.382%0.81678%0.779SS**  trans75.7131.5176.576.50000116.1
499G31.8Very low36.5Very low71 Ų71137.2 Ų137.273%0.73277%0.774SS**  cis-151.7171.8-13.800000108.3
500T39.4Very low36.9Very low127 Ų127136.6 Ų136.678%0.77977%0.767SS**  cis-155.7143.720.348.10000111.3
501L32Very low37.6Very low161 Ų161137 Ų13784%0.84376%0.764SS**  trans36.7137.7139-54.1171.3000120.2
502S35.5Very low37.7Very low89 Ų89138 Ų13862%0.62276%0.76SS**  cis-167.5141.38.4-123.90000114.1
503R37.1Very low38.3Very low237 Ų237142 Ų14289%0.89476%0.761SS**  trans32.7112141.2-59.8179.5176.5-174.1-0.8120.4
504M33.8Very low38.7Very low176 Ų176143 Ų14387%0.86776%0.758SS**  trans-113.5155.5141.7-80.9-177.278.200111.2
505S37.7Very low39.1Very low92 Ų92140 Ų14064%0.64375%0.747SS**  trans-81.8144.4-157.31790000115.3N507S505-N507 PolarHBondContact O-N 3.14Å
506K41.7Very low39.2Very low193 Ų193142.1 Ų142.184%0.83975%0.748SS**THydrogen-bonded Turntrans-654.6-178.8-133.7171.7-174.3176.20115.2
507N41.5Very low40.1Very low131 Ų131142.2 Ų142.270%0.70174%0.742SS**THydrogen-bonded Turntrans-95.5-8.6-175.4-119.5-25000114.6S505S505-N507 PolarHBondContact O-N 3.14Å
508Q44.7Very low40.5Very low132 Ų132138.9 Ų138.962%0.61774%0.735SS**SBendtrans-86.8-19.8-175.4-151.5167.62400114
509Q47.8Very low40.8Very low161 Ų161137.6 Ų137.675%0.75273%0.731SS**Hα-helixtrans-77-26.5-176.2-72.4-179.5-27.200114.1Q511Q509-Q511 VanDerWaalsContact C-N 3.29Å; Q509-Q511 PolarHBondContact O-N 2.67Å
510H43.3Very low41.1Very low151 Ų151141.5 Ų141.570%0.69974%0.735SS**Hα-helixtrans-74.8-15.3179.6-95.9-57.8000114.5
511Q46Very low41.2Very low152 Ų152144.9 Ų144.971%0.7174%0.739SS**Hα-helixtrans-83-33.8-177.3-151.21624.400112.3Q509 A515Q509-Q511 VanDerWaalsContact C-N 3.29Å; Q509-Q511 PolarHBondContact O-N 2.67Å; Q511-A515 PolarHBondContact O-N 3.08Å
512Y35.8Very low41.3Very low196 Ų196144.2 Ų144.277%0.76974%0.736SS**Hα-helixtrans-68.1-42.6174.6-98.9-92.9000112.9K514 A515Y512-K514 VanDerWaalsContact C-N 3.28Å; Y512-K514 PolarHBondContact O-N 3.37Å; Y512-A515 PolarHBondContact O-N 3.04Å
513H44.2Very low41.1Very low149 Ų149147 Ų14769%0.6975%0.75SS**Hα-helixtrans-69.7-24.2180-160.4-60.3000113
514K41.1Very low40.9Very low174 Ų174142.3 Ų142.376%0.75774%0.743SS**Hα-helixtrans-85.1-20.9-179.9-157.7168.6-170.7172.80113.7Y512Y512-K514 VanDerWaalsContact C-N 3.28Å; Y512-K514 PolarHBondContact O-N 3.37Å
515A42.3Very low40.8Very low67 Ų67141.5 Ų141.555%0.55474%0.739SS**Hα-helixtrans-75.2-41.5173.900000112.3Q511 Y512 A517 A518Q511-A515 PolarHBondContact O-N 3.08Å; Y512-A515 PolarHBondContact O-N 3.04Å; A515-A517 PolarHBondContact O-N 3.3Å; A515-A518 PolarHBondContact O-N 3.13Å
516M46.1Very low40.7Very low160 Ų160144.2 Ų144.279%0.78874%0.741SS**THydrogen-bonded Turntrans-64.6-22.9-177.9-68.9-76.9-88.900114.1
517A49.2Very low40.3Very low84 Ų84140.5 Ų140.569%0.69474%0.735SS**THydrogen-bonded Turntrans-86.6-12.4-178.800000114.5A515A515-A517 PolarHBondContact O-N 3.3Å
518A45Very low39.8Very low80 Ų80142 Ų14266%0.66174%0.742SS**THydrogen-bonded Turntrans-98-12.2-175.600000114.1A515A515-A518 PolarHBondContact O-N 3.13Å
519S40.4Very low39.2Very low106 Ų106142.5 Ų142.574%0.74175%0.754SS**SBendtrans-91.5-0-170.2-1630000115.3
520N39.2Very low38.4Very low153 Ų153146.3 Ų146.382%0.81876%0.762SS**SBendtrans-115.127.3-169.5-139.7-4.4000114.8
521K40.2Very low37.7Very low198 Ų198148.5 Ų148.586%0.86177%0.769SS**SBendtrans-149.7102.2160.2-67.9-169.1-177.7-177.30109.5
522N34.1Very low37.1Very low147 Ų147146.9 Ų146.979%0.78677%0.77SS**  trans158.794133.1-174.626000112.5
523T31.3Very low36.9Very low148 Ų148146.8 Ų146.891%0.90877%0.773SS**  trans-138.596.6150.744.40000108.6
524N33.5Very low36.1Very low139 Ų139147.3 Ų147.374%0.74378%0.782SS**  trans-113.9117.8160.6179.5-46.4000106.9Q526N524-Q526 PolarHBondContact OD1-N 3.12Å
525M31.4Very low35.7Very low158 Ų158150.4 Ų150.478%0.77879%0.789SS**  trans-95.1116.5161.9-83.9173.158.700106.7
526Q36.8Very low35.4Very low150 Ų150155.7 Ų155.770%0.70180%0.802SS**  62.2134.2103.3-65.3-174.2-4.500113.6N524N524-Q526 PolarHBondContact OD1-N 3.12Å
527T32.5Very low34.9Very low115 Ų115156.8 Ų156.871%0.70681%0.805SS**  cis-173.4144.8016.40000106.9
528L31.4Very low34.3Very low161 Ų161161.1 Ų161.184%0.84382%0.815SS**  trans-171110.1133.6-118.1132.8000112.3
529T31.4Very low33.9Very low144 Ų144166.4 Ų166.488%0.88383%0.825SS**  trans-162.9111.7148.34.60000109.2
530R31.7Very low33.6Very low240 Ų240169.2 Ų169.291%0.90683%0.832SS**  trans-64.8143.4165.9-70.6176.2171.5-178.6-3.4108.7
531K28.2Very low33.4Very low197 Ų197173.5 Ų173.586%0.85784%0.837SS**  trans-100.599.7166.7-163.3171.3-174.7-179.30111
532T33.1Very low33.2Very low118 Ų118173.5 Ų173.572%0.72484%0.84SS**  trans17.3112.9149.858.10000118.8
533K31.2Very low33Very low194 Ų194175.2 Ų175.284%0.84384%0.843SS**  -158.298.2125.2-161174.2-175.3-177.30109.5
534D28.9Very low33.1Very low161 Ų161179.2 Ų179.286%0.86184%0.842SS**  trans178.597.1142.7-86.2-17.9000107
535R32.1Very low32.9Very low239 Ų239181.1 Ų181.190%0.90285%0.848SS**  trans-117.681.6173.5178-163.4171-176.2-2.6106.1
536Q34.8Very low32.8Very low178 Ų178181.3 Ų181.383%0.83285%0.852SS**  trans-160.5148.3161.7-151.370.411.600105.8
537E35.7Very low32.5Very low182 Ų182182.1 Ų182.185%0.8586%0.857SS**SBendtrans67.266170.8-156174.5-158.400117.2
538I37.4Very low32.5Very low176 Ų176182.1 Ų182.190%0.90386%0.862SS**  trans-15872.6136.9-86.9138.5000105.9
539Q36.1Very low32.9Very low190 Ų190179.7 Ų179.789%0.88886%0.856SS**SBendtrans-150.841.1167.7-170.3143.82.700110.2
540D35.1Very low32.7Very low165 Ų165181.6 Ų181.688%0.88286%0.855SS**SBendtrans-153.720.7-174.5-114.2-27.5000113.7
541R35.1Very low32.9Very low243 Ų243177 Ų17792%0.91784%0.843SS**SBendtrans-136.823.2-173.6-139.7-178.8-173.6-165.41116.4
542Q35.1Very low33.1Very low199 Ų199175 Ų17593%0.9384%0.841SS**SBendtrans-127.427.4172-77.6-174.9-29.100113.3
543E31.1Very low33.1Very low182 Ų182175.7 Ų175.785%0.8584%0.836SS**SBendtrans-138.365.9165.7-73.4-160.4159.400112.5
544R32.1Very low33.1Very low232 Ų232173.8 Ų173.888%0.87584%0.836SS**SBendtrans-172.8152.5149.3-112.2170.4178.585.6-2.5111.9
545M30.2Very low33.3Very low179 Ų179175.9 Ų175.988%0.88283%0.831SS**  trans7567.3176.5-57-175.2-64.800115.6
546L28.5Very low33.3Very low163 Ų163172.3 Ų172.385%0.85383%0.827SS**  -49.5162.3125.7-76.2159.5000111
547M30.5Very low33.2Very low166 Ų166167.1 Ų167.182%0.81882%0.821SS**  trans88.2108172.1-43.4-121.475.700115.4
548S32.3Very low33Very low116 Ų116165 Ų16581%0.81182%0.82SS**  trans-86.4133.2140.1-169.40000107.1
549P39.3Very low32.6Very low109 Ų109162.2 Ų162.271%0.70882%0.816SS**  trans-139173.1135.521.8-0.2000114.2
550E27.9Very low32.4Very low184 Ų184156.7 Ų156.786%0.8681%0.81SS**  trans-88.3164.8-153.8-54-178.711800117.1
551H36.2Very low32.1Very low143 Ų143157.9 Ų157.966%0.66281%0.813SS**  trans17.4122.3133.2-152.6-106.1000119E553H551-E553 IonicContact CE1-OE1 2.86Å; H551-E553 PolarHBondContact CE1-OE1 3.3Å; H551-E553 IonicContact ND1-OE1 2.96Å; H551-E553 PolarHBondContact ND1-OE1 3.05Å
552L31.3Very low31.8Very low156 Ų156149.6 Ų149.682%0.81780%0.803SS**  trans-155.199.4141.8-147.872.4000113.2
553E33.4Very low31.6Very low133 Ų133146.6 Ų146.662%0.62180%0.798SS**  trans-12.8140.8134.855.5-153.5112.300119.6H551 R555H551-E553 IonicContact CE1-OE1 2.86Å; H551-E553 PolarHBondContact CE1-OE1 3.3Å; H551-E553 IonicContact ND1-OE1 2.96Å; H551-E553 PolarHBondContact ND1-OE1 3.05Å; E553-R555 PolarHBondContact O-N 3.38Å
554D32.2Very low31.7Very low154 Ų154144 Ų14482%0.82479%0.794SS**  trans-82.1110.1176-122.1-42000111.6
555R33.4Very low32.1Very low205 Ų205140 Ų14077%0.77479%0.791SS**  49.1104.1126.5-171.7-165.4-175.593.41.9118.1E553E553-R555 PolarHBondContact O-N 3.38Å
556M32.5Very low32.6Very low164 Ų164136 Ų13681%0.80878%0.777SS**  -165.9121.1106.7-161.4135.6-6700115
557G31.4Very low32.5Very low69 Ų69138.3 Ų138.371%0.71178%0.776SS**  trans79.6151.4159.700000117.3
558V31.1Very low32.7Very low136 Ų136135.4 Ų135.482%0.82478%0.779SS**  cis-175.3138.9-11.1125.60000104.6
559S29.8Very low32.8Very low118 Ų118137.9 Ų137.983%0.82578%0.777SS**  trans51.8119.4162.1-61.20000122.4
560G31.6Very low32.6Very low74 Ų74139.6 Ų139.676%0.76379%0.786SS**  91.9101.8106.800000121.4
561M29.7Very low32.7Very low190 Ų190133.7 Ų133.794%0.93678%0.775SS**  63.786.4123.9-14974.9154.400121.5
562G27.2Very low32.5Very low69 Ų69134 Ų13471%0.71179%0.787SS**  84.8176.6124.300000121.7
563V31.3Very low32.4Very low136 Ų136130.1 Ų130.182%0.82479%0.785SS**  trans67.496.2165.6-163.20000114.7
564V34Very low32.5Very low128 Ų128131.5 Ų131.578%0.77679%0.794SS**  58117.388.3-178.20000113.5P566V564-P566 WeakPolarHBondContact O-CD 3.35Å
565D40.9Very low32.8Very low149 Ų149130.4 Ų130.480%0.79779%0.793SS**  trans-51.5133.9174.7-168.76.8000113.8
566P39Very low32.9Very low93 Ų93125.7 Ų125.760%0.60479%0.789SS**  trans-145.9157.7138.535.4-17.6000116.1V564V564-P566 WeakPolarHBondContact O-CD 3.35Å
567Y28.4Very low33.1Very low212 Ų212125 Ų12583%0.83179%0.794SS**  trans86.784.1167.1-60.2-80000119.3
568A33Very low33.3Very low105 Ų105127.2 Ų127.287%0.86879%0.789SS**  -149.1106.612600000111
569H35.5Very low34.1Very low168 Ų168126.7 Ų126.778%0.77879%0.789SS**  trans-87.3165.9172.5-93.1-88.7000111.8
570T33.9Very low34.2Very low145 Ų145128.1 Ų128.189%0.8978%0.776SS**  trans73.2142.5170.2760000115.6
571G31.5Very low34.5Very low61 Ų61130.5 Ų130.563%0.62977%0.767SS**  cis176.9144.4-8.100000111.3
572T31.8Very low34.7Very low148 Ų148127.7 Ų127.791%0.90875%0.752SS**  trans38.483.9156.754.40000119.4
573G28.3Very low34.8Very low75 Ų75133.5 Ų133.577%0.77376%0.758SS**  92.3172.8116.600000121.7
574I36.1Very low35Very low162 Ų162130.3 Ų130.383%0.83175%0.746SS**  trans81.683.3162.3-42.3-176.4000117.9
575V38.2Very low34.8Very low132 Ų132132.9 Ų132.980%0.875%0.749SS**  trans82.3129.4139.2-1790000118.9
576P36.2Very low34.3Very low106 Ų106130 Ų13069%0.68874%0.741SS**  trans-100.3138.5-175.437.4-32.1000114L578P576-L578 PolarHBondContact O-N 3.37Å
577T35.2Very low34Very low148 Ų148132.5 Ų132.591%0.90874%0.744SS**  trans-83.796.3168.328.20000111.8
578L36.7Very low34.3Very low116 Ų116129.4 Ų129.461%0.60774%0.737SS**  trans-68.6163.9153.3-72.5145.6000110.5P576 R580P576-L578 PolarHBondContact O-N 3.37Å; L578-R580 HydrophobicContact CB-CB 3.85Å; L578-R580 HydrophobicContact CD1-CB 4.41Å; L578-R580 HydrophobicContact CD1-CG 4.17Å; L578-R580 HydrophobicContact CD2-CB 4.35Å; L578-R580 HydrophobicContact CG-CB 4.45Å
579P47.3Very low34.5Very low126 Ų126131 Ų13182%0.81873%0.731SS**  -116.9130.788.133.3-30.8000110.6
580R32.9Very low34.3Very low148 Ų148129.3 Ų129.356%0.55873%0.733SS**  cis54.3128.436.5-119.6-172.3155.2168.7-7.8111.9L578 Q582L578-R580 HydrophobicContact CB-CB 3.85Å; L578-R580 HydrophobicContact CD1-CB 4.41Å; L578-R580 HydrophobicContact CD1-CG 4.17Å; L578-R580 HydrophobicContact CD2-CB 4.35Å; L578-R580 HydrophobicContact CG-CB 4.45Å; R580-Q582 VanDerWaalsContact CZ-OE1 3.28Å
581Q36.2Very low34.2Very low124 Ų124128.5 Ų128.558%0.57973%0.731SS**  cis-135.5145.828.1-76.2-109.8-10.100109.5
582Q35.7Very low34.4Very low131 Ų131130 Ų13061%0.61274%0.738SS**  62.2139.965.2-64.4179.7-25.500111.8R580R580-Q582 VanDerWaalsContact CZ-OE1 3.28Å
583K29.2Very low34.8Very low191 Ų191129.3 Ų129.383%0.8373%0.733SS**  -172.3155.457.4-167.1177-178-174.30108.1
584A33.8Very low35.4Very low69 Ų69131.3 Ų131.357%0.5773%0.733SS**  cis-167.5147-23.200000107
585Q31.2Very low35.1Very low181 Ų181128.2 Ų128.285%0.84673%0.726SS**  76.4142.699.7-171.9-171.30.600115.9
586S30.2Very low35Very low89 Ų89129.5 Ų129.562%0.62273%0.727SS**  trans79.3135.9162.4-147.60000115.9
587Q33Very low35.2Very low146 Ų146131 Ų13168%0.68273%0.73SS**  cis-160.3150.5-4.5-125.6173.982.700110
588Q34.6Very low35.1Very low147 Ų147133.8 Ų133.869%0.68772%0.723SS**  trans67.4139.3143.6-76.5166.67.100124.3
589N36.1Very low35.5Very low137 Ų137134.5 Ų134.573%0.73372%0.724SS**  trans67.5111154-49.5-18000117.3
590V32.8Very low35.2Very low134 Ų134136.4 Ų136.481%0.81272%0.721SS**  cis70.797.933.4-168.80000115.5
591C31.8Very low35.6Very low127 Ų127138 Ų13886%0.85874%0.737SS**  trans-161.2109.9131.5-95.80000106.3
592A35.2Very low35.6Very low93 Ų93138.9 Ų138.977%0.76974%0.744SS**  85.3114.264.800000113.4
593T40.2Very low36Very low133 Ų133140.7 Ų140.782%0.81675%0.75SS**  trans-81.9163.3175.349.40000113.1
594P40.8Very low36.2Very low117 Ų117139.5 Ų139.576%0.7675%0.75SS**  -127.9124128.526.4-11.2000110.5
595S30.2Very low36.3Very low98 Ų98142.1 Ų142.169%0.68575%0.754SS**  94.5120.955.573.70000113.8
596L35Very low36.2Very low159 Ų159139.2 Ų139.283%0.83275%0.753SS**  trans55.3117.8150.1-76.9159.9000120.9
597D40.9Very low36.4Very low138 Ų138143.8 Ų143.874%0.73877%0.765SS**  30.5113.5117.7-178.930.4000118
598R33.4Very low37.3Very low205 Ų205142.2 Ų142.277%0.77477%0.767SS**  trans-162.6136.3141.4-123.7174.1155.6127.60.7114.9
599H45.2Very low37.2Very low132 Ų132141.3 Ų141.361%0.61177%0.772SS**  trans78.7136.7159.6-48.5131000117.3
600H41.3Very low36.9Very low166 Ų166140.3 Ų140.377%0.76978%0.776SS**  cis-158.3121.7-7.5-118.3-52.8000110I602H600-I602 HydrophobicContact CB-CG1 4.26Å; H600-I602 PolarHBondContact O-N 3.02Å; H600-I602 VanDerWaalsContact O-N 3.15Å
601M39.9Very low36.9Very low182 Ų182138 Ų13890%0.89778%0.779SS**  trans-79.886.1163.8-81.5-92-78.100109.3K603M601-K603 VanDerWaalsContact C-N 3.35Å; M601-K603 PolarHBondContact O-N 2.85Å
602I36.9Very low36.9Very low141 Ų141142 Ų14272%0.72378%0.776SS**  trans-75.892.4170.7-62.9175.6000108.6H600 M604H600-I602 HydrophobicContact CB-CG1 4.26Å; H600-I602 PolarHBondContact O-N 3.02Å; H600-I602 VanDerWaalsContact O-N 3.15Å; I602-M604 HydrophobicContact CG2-CG 4.1Å
603K43.6Very low36.8Very low169 Ų169143.8 Ų143.874%0.73577%0.768SS**  trans-80.9118.1159.7-177.4-179.3-176.4179.80108M601 N605M601-K603 VanDerWaalsContact C-N 3.35Å; M601-K603 PolarHBondContact O-N 2.85Å; K603-N605 VanDerWaalsContact CE-OD1 3.25Å; K603-N605 WeakPolarHBondContact CE-OD1 3.44Å
604M33.8Very low36.5Very low167 Ų167144.5 Ų144.582%0.82376%0.762SS**  trans-119.5123.3159.2-75.7-62.3-7700109.4I602I602-M604 HydrophobicContact CG2-CG 4.1Å
605N36Very low36Very low124 Ų124146.6 Ų146.666%0.66376%0.762SS**  trans-73.1148.8177.1-64.2-28.2000110.5K603K603-N605 VanDerWaalsContact CE-OD1 3.25Å; K603-N605 WeakPolarHBondContact CE-OD1 3.44Å
606S29.7Very low36.2Very low119 Ų119153.6 Ų153.683%0.83277%0.773SS**  -173.4124.2119.731.70000112.5
607H33.8Very low36.2Very low186 Ų186150.8 Ų150.886%0.86177%0.767SS**  trans-99.3176.3147.7-61.8-67.6000107
608P52.2Low35.8Very low113 Ų113151 Ų15173%0.73477%0.774SS**  cis-127.4-166.6-29.230.3-9000111
609T31.4Very low35.7Very low127 Ų127144.4 Ų144.478%0.77977%0.769SS**  trans148.3116.4147.842.90000109.3
610S31.7Very low35Very low117 Ų117147.5 Ų147.582%0.81879%0.786SS**  76.5103.872.580.10000114.8
611G31.4Very low34.7Very low85 Ų85145.8 Ų145.888%0.87679%0.787SS**  trans-145.8134.4166.700000109
612R32Very low34.2Very low212 Ų212142.8 Ų142.880%0.878%0.784SS**  trans-136.8149.1-160.7-161.7-162.1143.3153.1-12.6108.8
613E32.8Very low33.9Very low129 Ų129144.6 Ų144.660%0.60379%0.789SS**  trans69.6157.4166.4-43.1-158.114500115.4
614Q34.8Very low33.3Very low148 Ų148143.2 Ų143.269%0.69280%0.795SS**  cis-151134-10.4-130.5173.7-17.100109.9
615E30.9Very low33.1Very low162 Ų162140.8 Ų140.876%0.75779%0.794SS**  20.8123.1122.6-160.2-177.8-179.100120.1
616R34Very low32.8Very low245 Ų245138.4 Ų138.493%0.92580%0.799SS**  -159.3128.3125.9-146.9166.8-1771551.2113.1
617S34.3Very low32.7Very low99 Ų99136.1 Ų136.169%0.69279%0.794SS**  trans-96.4-170.3170.7-63.30000111.1
618T33.7Very low32.7Very low144 Ų144134.8 Ų134.888%0.88380%0.799SS**  trans71.5127.3178.39.40000114.9
619G30.7Very low31.5Very low65 Ų65132.2 Ų132.267%0.6779%0.793SS**  cis125.7137.2-3.100000112.1
620M30.8Very low31.4Very low197 Ų197137.9 Ų137.997%0.9780%0.8SS**  trans-176.2160.7153.9-111.1174.3149.100113.5
621T33.9Very low31.2Very low130 Ų130137.7 Ų137.780%0.79880%0.799SS**  trans-102.1155-174.944.90000112.5
622S29.7Very low31.1Very low119 Ų119136.8 Ų136.883%0.83279%0.79SS**  trans-155.9149147.362.40000112.2
623H29.8Very low30.9Very low179 Ų179136 Ų13683%0.82980%0.795SS**  trans-91.7161.3171.9-69.3-131.6000109.8
624V32.1Very low30.9Very low141 Ų141136.4 Ų136.486%0.85581%0.806SS**  -178155.2125.31450000111.1
625S29.9Very low31.4Very low115 Ų115135.3 Ų135.380%0.80481%0.812SS**  trans-80.4166.2-175.5470000115.3
626G28.9Very low31.2Very low75 Ų75131.2 Ų131.277%0.77381%0.813SS**  trans152100.9148.400000118.4
627G28.6Very low31Very low71 Ų71124.9 Ų124.973%0.73281%0.813SS**  trans64.2150.5130.900000122.9
628V33.4Very low30.6Very low157 Ų157123.2 Ų123.295%0.95281%0.812SS**  trans20.6138.4145.8-82.40000119.7
629G27.4Very low30.3Very low60 Ų60123.1 Ų123.162%0.61981%0.81SS**  cis134.4125.816.800000110.3
630W28.3Very low30.2Very low245 Ų245126 Ų12693%0.92882%0.815SS**  trans71.3123.5162.5-69.450.3000120.4
631S28.8Very low30.3Very low114 Ų114124.9 Ų124.980%0.79781%0.809SS**  trans71150.5137.2-57.50000121.9
632G28.6Very low30.3Very low65 Ų65122.3 Ų122.367%0.6781%0.809SS**  trans99.892.2177.600000112.5
633E28Very low30.5Very low196 Ų196123.5 Ų123.592%0.91681%0.811SS**  78.7125.392.2-88.1-173.912600115.7
634V33.2Very low30.7Very low137 Ų137118.6 Ų118.683%0.8381%0.809SS**  trans-69.8153.6170.3-1120000109.7
635P43.9Very low31Very low126 Ų126118.4 Ų118.482%0.81881%0.808SS**  -153.2-169.761.841.7-20.9000115.6
636G27Very low31.4Very low75 Ų75121.6 Ų121.677%0.77382%0.815SS**  trans123.4105.715000000115.8
637A29.5Very low31.9Very low113 Ų113121.9 Ų121.993%0.93482%0.818SS**  trans-57.5153.1172.800000114.5
638G26.1Very low32.1Very low64 Ų64120.9 Ų120.966%0.6681%0.808SS**  trans162.892.2154.700000119
639V26.8Very low32.6Very low142 Ų142121.8 Ų121.886%0.86180%0.801SS**  trans51.9155133.6-1340000122.5
640V29.8Very low33.4Very low125 Ų125123.9 Ų123.976%0.75881%0.807SS**  trans88.2114.8153.2175.40000120.2
641M31.7Very low34.3Very low173 Ų173116.1 Ų116.185%0.85280%0.795SS**  trans47.699.5144.3-60.2-66-144.700121.9
642G34.8Very low35.2Very low77 Ų77121 Ų12179%0.79480%0.796SS**  49.4107.1104.100000120.7
643T34Very low36Very low144 Ų144127.9 Ų127.988%0.88380%0.802SS**  trans-139.6139.8151.346.60000109.6
644G34.2Very low37Very low75 Ų75126.8 Ų126.877%0.77380%0.799SS**  trans-94.4148.3-179.500000112.6
645T38.7Very low37.8Very low138 Ų138123.7 Ų123.785%0.84779%0.788SS**  trans-137.4119.616650.20000111.3
646L38.7Very low37.8Very low181 Ų181127.2 Ų127.295%0.94879%0.79SS**  trans-68.8145.1155.3-8878.3000108.6
647G37.6Very low38.6Very low81 Ų81128.5 Ų128.584%0.83579%0.794SS**  trans127.5102.9166.700000113.7
648G33.5Very low39.2Very low51 Ų51127.8 Ų127.853%0.52679%0.787SS.*  trans174.511.4178.600000119.1
649H43.6Very low40.2Very low175 Ų175134.3 Ų134.381%0.8180%0.798SS**SBendtrans-93.2-0-177-78.7-69.7000115.9
650S43.8Very low41Very low104 Ų104138.8 Ų138.873%0.72780%0.799SS**SBendtrans-90-34.3172.348.40000113.3R652S650-R652 PolarHBondContact O-N 3.45Å
651A48.3Very low41.7Very low83 Ų83141.9 Ų141.969%0.68681%0.805SS**G310 helixtrans-73.9-18.1-172.200000115.3
652R47.3Very low42Very low215 Ų215141 Ų14181%0.81180%0.804SS**G310 helixtrans-91.45.3-171.9-130.8176.1-162.1153.48.2115.7S650S650-R652 PolarHBondContact O-N 3.45Å
653R45.4Very low42.3Very low210 Ų210143.5 Ų143.579%0.79280%0.804SS**G310 helixtrans-104.6-3.4-176.7-115.9-178.1-67.4-1140.1115.8
654M49.5Very low42.6Very low174 Ų174142.9 Ų142.986%0.85779%0.794SS**SBendtrans-106.813.1176-66.4-162.9-7100114.3
655A49.5Very low42.9Very low72 Ų72148.8 Ų148.860%0.59580%0.801SS**SBendtrans-105.67.6-173.700000115.5
656F43.3Very low42.9Very low200 Ų200150.4 Ų150.488%0.87780%0.8SS**SBendtrans-125.316-178.2-75.8-74.9000114.6
657A44Very low43Very low102 Ų102149 Ų14984%0.84379%0.792SS**SBendtrans-117.315.7179.200000114
658A42.8Very low43Very low97 Ų97154.2 Ų154.280%0.80279%0.794SS**  trans-127.237-173.900000113.6
659K46.5Very low42.9Very low201 Ų201161.3 Ų161.387%0.87481%0.811SS**SBendtrans-137.637.2176.4-151.8-175.5178.1178.20115
660R44.6Very low42.7Very low237 Ų237160.6 Ų160.689%0.89481%0.811SS**SBendtrans-153.778.1158.2-70.7-163.1-177.3-158.1-0.2109.2
661Q44.2Very low42.4Very low189 Ų189161.2 Ų161.288%0.88381%0.813SS**  trans-177.667.5151.3-142.467.4-8.900111.6
662N38.8Very low41.5Very low156 Ų156160.9 Ų160.983%0.83482%0.818SS**  trans-161.886.8162.4-161.6-8.5000112.7
663T41.1Very low40.5Very low128 Ų128154.7 Ų154.779%0.78582%0.821SS**SBendtrans-160.9112.5151.834.70000109.7
664I39.6Very low39.8Very low131 Ų131148.9 Ų148.967%0.67283%0.826SS**  trans75.870.5153.8-44.8161.5000116.2Q666I664-Q666 HydrophobicContact CG2-CB 4.2Å
665E39.1Very low38.9Very low199 Ų199144.8 Ų144.893%0.9383%0.828SS**  -81.286.7125.6-74.9-171.4168.500107.9
666Q40.2Very low38.1Very low173 Ų173145.3 Ų145.381%0.80884%0.841SS**  trans-161.635.5173.8-125.7171.642.900116I664I664-Q666 HydrophobicContact CG2-CB 4.2Å
667L39.8Very low37.6Very low152 Ų152140 Ų14080%0.79684%0.843SS**  trans-139.285.3167.2-77.6175.8000109.9
668H37.7Very low37.1Very low189 Ų189138.6 Ų138.688%0.87584%0.838SS**  trans-175.482153.7-98.899.2000109.5
669F30.9Very low36.7Very low201 Ų201139.6 Ų139.688%0.88285%0.846SS**  trans-159.7129.2154.5-130-87.2000110.4
670I40Very low36Very low159 Ų159133.4 Ų133.482%0.81584%0.84SS**  trans-119.4127.9174-63.9173.4000107.9
671P37.8Very low35.6Very low118 Ų118127.3 Ų127.377%0.76684%0.84SS**  trans-133.8147.8130.429.8-14.8000109.9
672G28.4Very low35.1Very low76 Ų76122.4 Ų122.478%0.78484%0.84SS**  cis133.9113.910.100000109.4
673G28.2Very low34.8Very low85 Ų85119.1 Ų119.188%0.87684%0.843SS**  trans121.4103.6164.200000119.3
674G29.9Very low34.4Very low87 Ų87117.1 Ų117.190%0.89785%0.848SS**  82.7114111.200000123.1
675G30.7Very low34.4Very low88 Ų88116.6 Ų116.691%0.90786%0.856SS**  trans101.1138147.600000117.3
676G33.2Very low34.2Very low84 Ų84112.2 Ų112.287%0.86685%0.854SS**  cis168.8141.4-8.600000113.6
677G31.7Very low33.9Very low89 Ų89107.4 Ų107.492%0.91885%0.85SS**  trans111.9137173.200000114.9
678G33.5Very low33.7Very low72 Ų72106.3 Ų106.374%0.74286%0.856SS**  cis172.7142.7-7.900000112.2
679A34.3Very low33.6Very low117 Ų117102.1 Ų102.197%0.96785%0.854SS**  trans63.6147.8179.200000117.5
680G32.8Very low33.6Very low71 Ų7196.2 Ų96.273%0.73285%0.85SS**  cis175156.1-8.100000112
681A35.7Very low33.3Very low109 Ų10992.3 Ų92.390%0.90185%0.849SS**  trans49.6113.5171.100000118.1
682G33.7Very low33.2Very low87 Ų8791.7 Ų91.790%0.89785%0.847SS**  98.9144.280.300000109.5
683G33Very low33.5Very low86 Ų8697.3 Ų97.389%0.88785%0.853SS**  cis156.1116.82.500000107.4
684G32.6Very low33.8Very low86 Ų8696.6 Ų96.689%0.88785%0.845SS**  trans172123.2-177.300000113.7
685S38.7Very low34.1Very low121 Ų12199.4 Ų99.485%0.84684%0.838SS**  trans-137.7173.2-172.756.40000111.9
686A36Very low34.4Very low107 Ų107106.1 Ų106.188%0.88484%0.836SS**  trans81.8150.4-179.500000116.6
687G32.6Very low34.6Very low71 Ų71108.5 Ų108.573%0.73283%0.834SS**  cis158.8122.4-11.900000115.6
688S35.3Very low34.7Very low130 Ų130108 Ų10891%0.90983%0.828SS**  trans67163.3151.2-1400000122.5
689A35.9Very low34.7Very low101 Ų101110.8 Ų110.884%0.83584%0.837SS**  trans70.3144.3176.100000118.7
690G32.4Very low35Very low77 Ų77112.3 Ų112.379%0.79482%0.822SS**  cis145.491.1-11.200000115.5
691G32Very low35.2Very low77 Ų77115.2 Ų115.279%0.79482%0.82SS**  trans78.9163.1170.700000116.2
692S36.8Very low35.3Very low104 Ų104117.3 Ų117.373%0.72781%0.812SS**  cis-171.5163.1-6.256.40000113
693Q34.8Very low35.4Very low195 Ų195119.9 Ų119.991%0.91181%0.809SS**  trans86.5147.2154.7-53.6-144.211.300123.8
694G34.8Very low35.8Very low69 Ų69122.4 Ų122.471%0.71181%0.808SS**  trans87.2101164.900000115.9
695I35.8Very low36.2Very low147 Ų147128.7 Ų128.775%0.75483%0.828SS**  cis77.2111.929.9-57.9-172.6000115.7
696R37.3Very low36Very low228 Ų228129.1 Ų129.186%0.8683%0.827SS**  trans68.8147.3164.9-67.6163.6-164.5-132.51.1115.5
697T37.6Very low36Very low135 Ų135130.2 Ų130.283%0.82882%0.824SS**  cis-155.6142.3-2.713.40000105.5
698G32.9Very low36.2Very low77 Ų77133.5 Ų133.579%0.79483%0.83SS**  83.792.369.700000112.6
699S34.3Very low36.3Very low132 Ų132133.7 Ų133.792%0.92383%0.825SS**  trans-162.9161.3152.6-162.70000112.1
700K40.8Very low36.3Very low149 Ų149135.8 Ų135.865%0.64882%0.824SS**  trans-109.2172.4-168.5-165.5-167.7179.2-146.90110.8E702K700-E702 WeakPolarHBondContact CE-OE1 3.41Å; K700-E702 IonicContact NZ-OE1 2.67Å; K700-E702 PolarHBondContact NZ-OE1 3.29Å
701N35.4Very low36.6Very low132 Ų132139.7 Ų139.771%0.70683%0.826SS**  trans129.8103.2150.9-63-2.4000109.7
702E38.1Very low36.9Very low153 Ų153144.1 Ų144.172%0.71583%0.829SS**  68.1121.574.2-73.9178.9-158.600113.2K700K700-E702 WeakPolarHBondContact CE-OE1 3.41Å; K700-E702 IonicContact NZ-OE1 2.67Å; K700-E702 PolarHBondContact NZ-OE1 3.29Å
703V36.2Very low36.9Very low140 Ų140147.2 Ų147.285%0.84884%0.836SS**  trans-111.2138.5-174.3167.10000108.3
704T41.1Very low37.1Very low140 Ų140143.3 Ų143.386%0.85983%0.83SS**  trans-140.4112.1163.9330000110.9
705V40.7Very low37.3Very low217 Ų217150 Ų150100%1.31584%0.841SS**  trans-141.20135.7-176.50000106.1

Retrieved 705 of 705 residues in 69 ms (Link to these results)