A0A087YJ97_POEFO Loading...

TBK1 binding protein 1

AlphaFold DB , UniProt , Accession A0A087YJ97, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 638 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
1M43.1Very low36.4Very low249 Ų249147.1 Ų147.1100%1.22789%0.894SS**  097.40-75.4175.7-98.700107.9
2Q34.5Very low36.4Very low192 Ų192150 Ų15090%0.89790%0.899SS**  trans-136.6158.7178.3-92.4175.6-11.200108
3S37Very low36.4Very low114 Ų114151.4 Ų151.480%0.79790%0.897SS**  trans64.9108-175.3-64.70000115.9
4L37.9Very low36.2Very low161 Ų161146.3 Ų146.384%0.84389%0.892SS**  175.8105112.4-93162000109.1
5F41.4Very low36Very low216 Ų216142.1 Ų142.195%0.94789%0.89SS**  trans174.791.6139-92.1-59.9000107.8
6G33.5Very low36Very low81 Ų81138.8 Ų138.884%0.83589%0.891SS**  trans-109.9163165.200000110
7G32.4Very low35.8Very low90 Ų90134.8 Ų134.893%0.92888%0.882SS**  trans12693.1171.200000113.1
8G31.4Very low35.8Very low81 Ų81133.4 Ų133.484%0.83588%0.876SS**  trans164.736.5177.800000115.4
9E35.9Very low35.9Very low187 Ų187135 Ų13587%0.87488%0.876SS**  trans-66.2145.3166.5-67.7179.8112.400110.4
10L38.1Very low36Very low177 Ų177133.3 Ų133.393%0.92787%0.873SS**  trans-173.3109.7131.1-101.8163000112.4
11G35Very low35.9Very low70 Ų70131.1 Ų131.172%0.72288%0.875SS**  trans7282.2133.700000120
12L36Very low35.4Very low182 Ų182123 Ų12395%0.95386%0.855SS**  trans-82.2108.6147.7-87166000109.7
13L37.3Very low35.8Very low168 Ų168122.4 Ų122.488%0.8886%0.857SS**  trans-139.4131.3160.4-65.9172.9000106
14G32.8Very low35.9Very low80 Ų80124.5 Ų124.583%0.82585%0.852SS**  cis103.991.415.200000109.9
15G33.9Very low36.2Very low84 Ų84125.5 Ų125.587%0.86685%0.852SS**  trans129.6103.9173.400000114.2
16G35Very low36.2Very low88 Ų88121.5 Ų121.591%0.90784%0.841SS**  trans-91.1145.3156.900000110
17G33.5Very low36.3Very low71 Ų71121.3 Ų121.373%0.73284%0.839SS**  trans174.9115.1176.100000114.9
18S34.7Very low36.5Very low110 Ų110123.8 Ų123.877%0.76984%0.841SS**  trans53.2123.1152.259.10000121.7
19D39Very low36.8Very low164 Ų164123 Ų12388%0.87783%0.833SS**  trans36118.6134.5-60.8-25000120.7
20A37.1Very low36.8Very low100 Ų100119.8 Ų119.883%0.82683%0.831SS**  171.8125.797.900000114.3
21G34.5Very low36.8Very low88 Ų88119.2 Ų119.291%0.90783%0.826SS**  trans74.2155.3142.300000120.3
22G32.9Very low37Very low79 Ų79119.9 Ų119.981%0.81482%0.824SS**  trans131.473.7160.300000116.7
23L42.4Very low37.1Very low180 Ų180122.3 Ų122.394%0.94282%0.821SS**  trans-57.8132.5159.4-80.3151.9000110.7
24K39.3Very low37Very low158 Ų158125.6 Ų125.669%0.68782%0.822SS**  trans-156.4115.3139.6-139.2172.1179.3-70.60112.9D26K24-D26 IonicContact NZ-OD1 2.88Å; K24-D26 PolarHBondContact NZ-OD1 3.03Å; K24-D26 IonicContact NZ-OD2 2.61Å; K24-D26 PolarHBondContact NZ-OD2 3.03Å
25E45Very low37.1Very low181 Ų181128.9 Ų128.985%0.84683%0.826SS**  trans-78137.9156.5-156.8-170.9-169.500107.7
26D40.1Very low37.3Very low132 Ų132129.9 Ų129.971%0.70682%0.819SS**  trans-147.1114.2161.2-85.5-42.2000108.1K24K24-D26 IonicContact NZ-OD1 2.88Å; K24-D26 PolarHBondContact NZ-OD1 3.03Å; K24-D26 IonicContact NZ-OD2 2.61Å; K24-D26 PolarHBondContact NZ-OD2 3.03Å
27G35.6Very low37.8Very low78 Ų78130.5 Ų130.580%0.80482%0.816SS**  trans-98.8143.6178.200000112.8
28C36.6Very low38.4Very low142 Ų142134.7 Ų134.796%0.95982%0.821SS**  trans-161.7141.1161.6-159.90000108.6
29G39.1Very low39.2Very low65 Ų65135 Ų13567%0.6782%0.82SS**  cis-161.5165.70.900000112.3M31G29-M31 PolarHBondContact O-N 3.31Å
30S34.3Very low39.5Very low118 Ų118132 Ų13283%0.82581%0.812SS**  trans-71.1122.4-173.7-1770000113.1A32S30-A32 PolarHBondContact O-N 3.43Å
31M39.8Very low40.2Very low166 Ų166133.7 Ų133.782%0.81881%0.807SS**  trans-81.498.7157.8-84.6-160.3174.700109.4G29 W33G29-M31 PolarHBondContact O-N 3.31Å; M31-W33 PolarHBondContact O-N 3.01Å; M31-W33 VanDerWaalsContact O-N 3.11Å
32A38Very low41Very low84 Ų84136.9 Ų136.969%0.69480%0.804SS**  trans-71.399.8177.100000111.7S30 R34S30-A32 PolarHBondContact O-N 3.43Å; A32-R34 PolarHBondContact O-N 3.48Å
33W38.3Very low42Very low232 Ų232139.2 Ų139.288%0.87980%0.801SS**  trans-70.4106.4164.9-64.886.8000108.8M31 T35M31-W33 PolarHBondContact O-N 3.01Å; M31-W33 VanDerWaalsContact O-N 3.11Å; W33-T35 PolarHBondContact O-N 2.95Å
34R35.8Very low42.6Very low238 Ų238138.7 Ų138.790%0.89879%0.788SS**  trans-70.6113177.9-71.3-157-77.6-158.2-3.4110.2A32 S36A32-R34 PolarHBondContact O-N 3.48Å; R34-S36 PolarHBondContact O-N 2.91Å
35T35.3Very low43.5Very low148 Ų148136 Ų13691%0.90879%0.789SS**  trans-68.997.9170.9-11.90000109.9W33 A37W33-T35 PolarHBondContact O-N 2.95Å; T35-A37 PolarHBondContact O-N 3.41Å
36S36.3Very low44Very low105 Ų105130.8 Ų130.873%0.73478%0.777SS**  trans-72.6114.7169.750.30000109.8R34 L38R34-S36 PolarHBondContact O-N 2.91Å; S36-L38 PolarHBondContact O-N 3.17Å
37A45.5Very low45.3Very low101 Ų101127.2 Ų127.284%0.83576%0.763SS**  trans-72.3124.4171.400000110T35T35-A37 PolarHBondContact O-N 3.41Å
38L46.1Very low47.1Very low160 Ų160128.3 Ų128.384%0.83875%0.747SS**  trans-133.3143.1164.1-78.8175.7000109.1S36S36-L38 PolarHBondContact O-N 3.17Å
39P51.7Low49.2Very low115 Ų115128.3 Ų128.375%0.74773%0.73SS**  trans-96.7161.8-168.337.7-36.4000114.6
40S45.3Very low51.3Low103 Ų103129.5 Ų129.572%0.7273%0.725SS**  trans67.3113.2152.7-145.30000119.9
41D52.4Low53.8Low135 Ų135129.5 Ų129.572%0.72272%0.715SS**SBendtrans13.7103.7134.8-59.5-39.8000118.4
42D51.8Low56Low155 Ų155125.8 Ų125.883%0.82970%0.698SS**SBend163.1-10.5127.9-95.9-17.8000111.9Y44D42-Y44 VanDerWaalsContact C-N 3.28Å
43V52.3Low58.4Low127 Ų127124.1 Ų124.177%0.7768%0.681SS**SBendtrans-81.2-10171.1-169.30000112.1S45 S47V43-S45 PolarHBondContact O-N 3.5Å; V43-S47 PolarHBondContact O-OG 3.21Å
44Y56Low60.8Low169 Ų169114.8 Ų114.866%0.66365%0.654SS**Hα-helixtrans-76.3-19.6-168.8-109.5-89.3000115.5D42 S47 H48D42-Y44 VanDerWaalsContact C-N 3.28Å; Y44-S47 WeakPolarHBondContact CA-OG 3.27Å; Y44-S47 PolarHBondContact O-OG 3.47Å; Y44-H48 WeakPolarHBondContact O-CB 3.48Å; Y44-H48 PolarHBondContact O-N 2.98Å
45S57.3Low63.5Low102 Ų102111 Ų11171%0.71364%0.64SS**Hα-helixtrans-72.6-45.3-174.6-151.40000112.5V43 F49V43-S45 PolarHBondContact O-N 3.5Å; S45-F49 WeakPolarHBondContact O-CB 3.33Å; S45-F49 PolarHBondContact O-N 3.19Å
46A56.4Low66.3Low72 Ų72109.3 Ų109.360%0.59562%0.622SS**Hα-helixtrans-71-40.1177.700000112.6T50A46-T50 WeakPolarHBondContact O-CB 3.3Å; A46-T50 PolarHBondContact O-N 3.5Å; A46-T50 PolarHBondContact O-OG1 2.91Å
47S66.9Low69.1Low56 Ų56110 Ų11039%0.39261%0.614SS.*Hα-helixtrans-71.5-38.2178.860.10000112.4V43 Y44 T50 L51V43-S47 PolarHBondContact O-OG 3.21Å; Y44-S47 WeakPolarHBondContact CA-OG 3.27Å; Y44-S47 PolarHBondContact O-OG 3.47Å; S47-T50 PolarHBondContact O-N 2.86Å; S47-L51 WeakPolarHBondContact O-CB 3.42Å; S47-L51 PolarHBondContact O-N 3.28Å
48H73.9Confident71.4Confident102 Ų102110.5 Ų110.547%0.47260%0.601SS.*Hα-helixtrans-68.7-40.4174.7-172.7-112.2000112Y44 T50 L51 I52Y44-H48 WeakPolarHBondContact O-CB 3.48Å; Y44-H48 PolarHBondContact O-N 2.98Å; H48-T50 VanDerWaalsContact C-N 3.32Å; H48-T50 PolarHBondContact O-N 2.86Å; H48-L51 PolarHBondContact O-N 3.24Å; H48-I52 VanDerWaalsContact CE1-CD1 3.49Å; H48-I52 WeakPolarHBondContact CE1-CD1 3.5Å; H48-I52 WeakPolarHBondContact O-CG1 3.35Å; H48-I52 PolarHBondContact O-N 3.14Å
49F81.1Confident73.7Confident141 Ų141109 Ų10962%0.61859%0.588SS**Hα-helixtrans-64.6-37.5172.6-172.6-95.8000112S45 S53S45-F49 WeakPolarHBondContact O-CB 3.33Å; S45-F49 PolarHBondContact O-N 3.19Å; F49-S53 VanDerWaalsContact O-CB 3.28Å; F49-S53 WeakPolarHBondContact O-CB 3.4Å; F49-S53 PolarHBondContact O-N 3.1Å; F49-S53 PolarHBondContact O-OG 3.44Å
50T82.9Confident75.8Confident91 Ų91107.7 Ų107.756%0.55858%0.578SS**Hα-helixtrans-64.8-41.5173-56.70000111.3A46 S47 H48 S53 A54A46-T50 WeakPolarHBondContact O-CB 3.3Å; A46-T50 PolarHBondContact O-N 3.5Å; A46-T50 PolarHBondContact O-OG1 2.91Å; S47-T50 PolarHBondContact O-N 2.86Å; H48-T50 VanDerWaalsContact C-N 3.32Å; H48-T50 PolarHBondContact O-N 2.86Å; T50-S53 PolarHBondContact O-N 3.13Å; T50-A54 VanDerWaalsContact O-CB 3.28Å; T50-A54 WeakPolarHBondContact O-CB 3.39Å; T50-A54 PolarHBondContact O-N 3.41Å
51L86.3Confident78.2Confident117 Ų117110.8 Ų110.861%0.61357%0.574SS**Hα-helixtrans-66-43.1176.8-178.562.7000112.3S47 H48 S53 A54 Y55S47-L51 WeakPolarHBondContact O-CB 3.42Å; S47-L51 PolarHBondContact O-N 3.28Å; H48-L51 PolarHBondContact O-N 3.24Å; L51-S53 VanDerWaalsContact C-N 3.34Å; L51-A54 PolarHBondContact O-N 3.44Å; L51-Y55 WeakPolarHBondContact O-CB 3.43Å; L51-Y55 PolarHBondContact O-N 2.9Å
52I86.8Confident80.3Confident88 Ų88108.9 Ų108.945%0.45156%0.563SS.*Hα-helixtrans-61.7-44.6173.4-70.8166.5000110.2H48 Y55 Q56H48-I52 VanDerWaalsContact CE1-CD1 3.49Å; H48-I52 WeakPolarHBondContact CE1-CD1 3.5Å; H48-I52 WeakPolarHBondContact O-CG1 3.35Å; H48-I52 PolarHBondContact O-N 3.14Å; I52-Y55 PolarHBondContact O-N 3.04Å; I52-Q56 WeakPolarHBondContact O-CB 3.37Å; I52-Q56 PolarHBondContact O-N 2.84Å
53S88.2Confident82.3Confident49 Ų49103.5 Ų103.534%0.34354%0.54SS..Hα-helixtrans-63.9-44.2178.8-59.90000111.5F49 T50 L51 Q56 E57F49-S53 VanDerWaalsContact O-CB 3.28Å; F49-S53 WeakPolarHBondContact O-CB 3.4Å; F49-S53 PolarHBondContact O-N 3.1Å; F49-S53 PolarHBondContact O-OG 3.44Å; T50-S53 PolarHBondContact O-N 3.13Å; L51-S53 VanDerWaalsContact C-N 3.34Å; S53-Q56 PolarHBondContact O-N 3.3Å; S53-E57 WeakPolarHBondContact O-CB 3.48Å; S53-E57 PolarHBondContact O-N 3.04Å
54A88.7Confident84.3Confident37 Ų3798.9 Ų98.931%0.30651%0.514SS..Hα-helixtrans-64.1-40.2174.700000112.1T50 L51 E57 I58T50-A54 VanDerWaalsContact O-CB 3.28Å; T50-A54 WeakPolarHBondContact O-CB 3.39Å; T50-A54 PolarHBondContact O-N 3.41Å; L51-A54 PolarHBondContact O-N 3.44Å; A54-E57 PolarHBondContact O-N 2.9Å; A54-I58 WeakPolarHBondContact O-CB 3.37Å; A54-I58 WeakPolarHBondContact O-CD1 3.44Å; A54-I58 WeakPolarHBondContact O-CG1 3.31Å; A54-I58 PolarHBondContact O-N 3.08Å
55Y92.9Very high86.2Confident159 Ų15995.5 Ų95.562%0.62451%0.506SS*.Hα-helixtrans-65-40.2175-171.4-94.5000111.8L51 I52 I58 K59L51-Y55 WeakPolarHBondContact O-CB 3.43Å; L51-Y55 PolarHBondContact O-N 2.9Å; I52-Y55 PolarHBondContact O-N 3.04Å; Y55-I58 PolarHBondContact O-N 3.09Å; Y55-K59 VanDerWaalsContact O-CB 3.32Å; Y55-K59 WeakPolarHBondContact O-CB 3.35Å; Y55-K59 PolarHBondContact O-N 3.11Å
56Q93.4Very high88.1Confident111 Ų11196 Ų9652%0.51950%0.498SS..Hα-helixtrans-67.4-38.3175.4-166.174.3-1900111.6I52 S53 K59 T60I52-Q56 WeakPolarHBondContact O-CB 3.37Å; I52-Q56 PolarHBondContact O-N 2.84Å; S53-Q56 PolarHBondContact O-N 3.3Å; Q56-K59 PolarHBondContact O-N 2.99Å; Q56-T60 WeakPolarHBondContact O-CG2 3.43Å; Q56-T60 PolarHBondContact O-N 3.3Å; Q56-T60 PolarHBondContact O-OG1 3.3Å
57E94.8Very high90Very high121 Ų121100.5 Ų100.557%0.56550%0.499SS*.Hα-helixtrans-64.5-46.2172.6-169.5-169.815600111.7S53 A54 K59 T60 R61S53-E57 WeakPolarHBondContact O-CB 3.48Å; S53-E57 PolarHBondContact O-N 3.04Å; A54-E57 PolarHBondContact O-N 2.9Å; E57-K59 VanDerWaalsContact C-N 3.26Å; E57-K59 PolarHBondContact O-N 3.49Å; E57-T60 PolarHBondContact O-N 2.83Å; E57-T60 PolarHBondContact O-OG1 2.87Å; E57-R61 VanDerWaalsContact O-CB 3.26Å; E57-R61 WeakPolarHBondContact O-CB 3.41Å; E57-R61 PolarHBondContact O-N 3.46Å
58I93.5Very high91.3Very high111 Ų111102.5 Ų102.557%0.56950%0.502SS*.Hα-helixtrans-57.2-43.3174.2-71.8162.7000110A54 Y55 R61 L62A54-I58 WeakPolarHBondContact O-CB 3.37Å; A54-I58 WeakPolarHBondContact O-CD1 3.44Å; A54-I58 WeakPolarHBondContact O-CG1 3.31Å; A54-I58 PolarHBondContact O-N 3.08Å; Y55-I58 PolarHBondContact O-N 3.09Å; I58-R61 PolarHBondContact O-N 3.15Å; I58-L62 VanDerWaalsContact O-CB 3.31Å; I58-L62 WeakPolarHBondContact O-CB 3.37Å; I58-L62 PolarHBondContact O-N 3.05Å
59K95.8Very high92.3Very high128 Ų128101.4 Ų101.456%0.55750%0.5SS*.Hα-helixtrans-65.1-42.3178.1-172.7175.8-179177.40112.8Y55 Q56 E57 A63Y55-K59 VanDerWaalsContact O-CB 3.32Å; Y55-K59 WeakPolarHBondContact O-CB 3.35Å; Y55-K59 PolarHBondContact O-N 3.11Å; Q56-K59 PolarHBondContact O-N 2.99Å; E57-K59 VanDerWaalsContact C-N 3.26Å; E57-K59 PolarHBondContact O-N 3.49Å; K59-A63 PolarHBondContact O-N 3.35Å; K59-A63 VanDerWaalsContact O-N 3.1Å
60T94.7Very high93.1Very high88 Ų8898 Ų9854%0.5449%0.491SS..Hα-helixtrans-69.6-36.6175.756.60000112Q56 E57 A63 S64Q56-T60 WeakPolarHBondContact O-CG2 3.43Å; Q56-T60 PolarHBondContact O-N 3.3Å; Q56-T60 PolarHBondContact O-OG1 3.3Å; E57-T60 PolarHBondContact O-N 2.83Å; E57-T60 PolarHBondContact O-OG1 2.87Å; T60-A63 PolarHBondContact O-N 3.45Å; T60-S64 PolarHBondContact O-N 3.13Å
61R96.2Very high93.7Very high167 Ų16795.7 Ų95.763%0.6348%0.478SS*.Hα-helixtrans-67.5-41.1176.1-168.3165.4-176.1152.1-1112E57 I58 S64 L65E57-R61 VanDerWaalsContact O-CB 3.26Å; E57-R61 WeakPolarHBondContact O-CB 3.41Å; E57-R61 PolarHBondContact O-N 3.46Å; I58-R61 PolarHBondContact O-N 3.15Å; R61-S64 WeakPolarHBondContact O-CB 3.3Å; R61-S64 PolarHBondContact O-N 3.11Å; R61-S64 VanDerWaalsContact O-N 3.14Å; R61-L65 WeakPolarHBondContact O-CG 3.32Å; R61-L65 PolarHBondContact O-N 2.76Å
62L96.3Very high94.1Very high96 Ų9695.4 Ų95.450%0.50348%0.476SS..Hα-helixtrans-59.5-48.4172.5-175.563.2000111I58 S64 L65 E66I58-L62 VanDerWaalsContact O-CB 3.31Å; I58-L62 WeakPolarHBondContact O-CB 3.37Å; I58-L62 PolarHBondContact O-N 3.05Å; L62-S64 PolarHBondContact O-N 3.04Å; L62-L65 PolarHBondContact O-N 2.84Å; L62-L65 VanDerWaalsContact O-N 3.12Å; L62-E66 WeakPolarHBondContact O-CG 3.48Å; L62-E66 PolarHBondContact O-N 3.29Å
63A94.6Very high94.5Very high41 Ų4197.7 Ų97.734%0.33948%0.483SS..Hα-helixtrans-63.6-23.9175.500000113.7K59 T60 R67K59-A63 PolarHBondContact O-N 3.35Å; K59-A63 VanDerWaalsContact O-N 3.1Å; T60-A63 PolarHBondContact O-N 3.45Å; A63-R67 VanDerWaalsContact O-CG 3.32Å; A63-R67 WeakPolarHBondContact O-CG 3.24Å; A63-R67 PolarHBondContact O-N 2.84Å; A63-R67 PolarHBondContact O-NE 3.49Å; A63-R67 VanDerWaalsContact O-NE 3.16Å
64S94.1Very high94.8Very high31 Ų31102.6 Ų102.622%0.21749%0.494CS..Hα-helixtrans-74.1-48.3169-155.80000111.8T60 R61 L62 E66 R67 E68T60-S64 PolarHBondContact O-N 3.13Å; R61-S64 WeakPolarHBondContact O-CB 3.3Å; R61-S64 PolarHBondContact O-N 3.11Å; R61-S64 VanDerWaalsContact O-N 3.14Å; L62-S64 PolarHBondContact O-N 3.04Å; S64-E66 VanDerWaalsContact C-N 3.29Å; S64-E66 PolarHBondContact O-N 2.97Å; S64-R67 WeakPolarHBondContact O-CB 3.38Å; S64-R67 PolarHBondContact O-N 2.96Å; S64-R67 VanDerWaalsContact O-N 3.08Å; S64-R67 PolarHBondContact OG-NH2 2.75Å; S64-E68 WeakPolarHBondContact O-CG 3.46Å; S64-E68 PolarHBondContact O-N 3.02Å; S64-E68 PolarHBondContact OG-OE1 3.41Å
65L95.9Very high95.1Very high97 Ų97106.7 Ų106.751%0.50851%0.505SS..Hα-helixtrans-60.4-36.5178.1-70.3171000112.2R61 L62 E68 N69R61-L65 WeakPolarHBondContact O-CG 3.32Å; R61-L65 PolarHBondContact O-N 2.76Å; L62-L65 PolarHBondContact O-N 2.84Å; L62-L65 VanDerWaalsContact O-N 3.12Å; L65-E68 PolarHBondContact O-N 3.49Å; L65-N69 WeakPolarHBondContact O-CB 3.28Å; L65-N69 PolarHBondContact O-N 3.29Å
66E96.3Very high95Very high114 Ų114103.8 Ų103.853%0.53350%0.499SS..Hα-helixtrans-62.4-45.6172.8-73.117316200111.8L62 S64 E68 N69 T70L62-E66 WeakPolarHBondContact O-CG 3.48Å; L62-E66 PolarHBondContact O-N 3.29Å; S64-E66 VanDerWaalsContact C-N 3.29Å; S64-E66 PolarHBondContact O-N 2.97Å; E66-E68 PolarHBondContact O-N 3.4Å; E66-N69 PolarHBondContact O-N 2.99Å; E66-T70 WeakPolarHBondContact O-CG2 3.49Å; E66-T70 PolarHBondContact O-N 3.4Å
67R95.9Very high94.8Very high165 Ų165104.8 Ų104.862%0.62350%0.502SS*.Hα-helixtrans-64.1-40.5175.6-70.1179.4-57.2148.210.7111.7A63 S64 T70 S71A63-R67 VanDerWaalsContact O-CG 3.32Å; A63-R67 WeakPolarHBondContact O-CG 3.24Å; A63-R67 PolarHBondContact O-N 2.84Å; A63-R67 PolarHBondContact O-NE 3.49Å; A63-R67 VanDerWaalsContact O-NE 3.16Å; S64-R67 WeakPolarHBondContact O-CB 3.38Å; S64-R67 PolarHBondContact O-N 2.96Å; S64-R67 VanDerWaalsContact O-N 3.08Å; S64-R67 PolarHBondContact OG-NH2 2.75Å; R67-T70 PolarHBondContact O-N 2.79Å; R67-T70 PolarHBondContact O-OG1 2.98Å; R67-S71 WeakPolarHBondContact O-CB 3.31Å; R67-S71 PolarHBondContact O-N 2.89Å
68E95.4Very high94.6Very high98 Ų98103 Ų10346%0.45850%0.496SS..Hα-helixtrans-64.4-43.4174.5-72.7162.9-13700111.4S64 L65 E66 T70 S71 I72S64-E68 WeakPolarHBondContact O-CG 3.46Å; S64-E68 PolarHBondContact O-N 3.02Å; S64-E68 PolarHBondContact OG-OE1 3.41Å; L65-E68 PolarHBondContact O-N 3.49Å; E66-E68 PolarHBondContact O-N 3.4Å; E68-T70 PolarHBondContact O-N 3.24Å; E68-S71 CarbonylContact O-C 3.57Å; E68-S71 WeakPolarHBondContact O-CA 3.42Å; E68-S71 VanDerWaalsContact O-CB 3.3Å; E68-S71 WeakPolarHBondContact O-CB 3.48Å; E68-S71 PolarHBondContact O-N 3.09Å; E68-S71 VanDerWaalsContact O-N 3.07Å; E68-I72 WeakPolarHBondContact O-CG1 3.35Å; E68-I72 PolarHBondContact O-N 2.94Å
69N95.6Very high94.3Very high79 Ų79104 Ų10442%0.42249%0.493SS..Hα-helixtrans-61.9-43.6176.3-165.8-65.7000111.7L65 E66 S71 I72 K73L65-N69 WeakPolarHBondContact O-CB 3.28Å; L65-N69 PolarHBondContact O-N 3.29Å; E66-N69 PolarHBondContact O-N 2.99Å; N69-S71 VanDerWaalsContact C-N 3.28Å; N69-S71 PolarHBondContact O-N 3.04Å; N69-I72 PolarHBondContact O-N 3.17Å; N69-K73 WeakPolarHBondContact O-CB 3.46Å; N69-K73 WeakPolarHBondContact O-CG 3.43Å; N69-K73 PolarHBondContact O-N 3.28Å; N69-K73 WeakPolarHBondContact OD1-CD 3.37Å; N69-K73 WeakPolarHBondContact OD1-CE 3.44Å; N69-K73 PolarHBondContact OD1-NZ 3.34Å
70T96.2Very high93.7Very high70 Ų70102.9 Ų102.943%0.42949%0.49SS..Hα-helixtrans-67.2-26.9173.1660000113.3E66 R67 E68 R74E66-T70 WeakPolarHBondContact O-CG2 3.49Å; E66-T70 PolarHBondContact O-N 3.4Å; R67-T70 PolarHBondContact O-N 2.79Å; R67-T70 PolarHBondContact O-OG1 2.98Å; E68-T70 PolarHBondContact O-N 3.24Å; T70-R74 WeakPolarHBondContact O-CG 3.37Å; T70-R74 PolarHBondContact O-N 3.2Å; T70-R74 PolarHBondContact O-NE 2.76Å
71S95.4Very high93.2Very high43 Ų43104.5 Ų104.530%0.30149%0.494SS..Hα-helixtrans-72.3-44.7172.9-169.40000111R67 E68 N69 R74 K75R67-S71 WeakPolarHBondContact O-CB 3.31Å; R67-S71 PolarHBondContact O-N 2.89Å; E68-S71 CarbonylContact O-C 3.57Å; E68-S71 WeakPolarHBondContact O-CA 3.42Å; E68-S71 VanDerWaalsContact O-CB 3.3Å; E68-S71 WeakPolarHBondContact O-CB 3.48Å; E68-S71 PolarHBondContact O-N 3.09Å; E68-S71 VanDerWaalsContact O-N 3.07Å; N69-S71 VanDerWaalsContact C-N 3.28Å; N69-S71 PolarHBondContact O-N 3.04Å; S71-R74 PolarHBondContact O-N 3.02Å; S71-K75 WeakPolarHBondContact O-CG 3.4Å; S71-K75 PolarHBondContact O-N 3.38Å
72I95.6Very high92.6Very high111 Ų111103.2 Ų103.257%0.56949%0.493SS*.Hα-helixtrans-62.3-47.3174.7-67.6164.3000110.4E68 N69 R74 K75 L76E68-I72 WeakPolarHBondContact O-CG1 3.35Å; E68-I72 PolarHBondContact O-N 2.94Å; N69-I72 PolarHBondContact O-N 3.17Å; I72-R74 VanDerWaalsContact C-N 3.3Å; I72-R74 PolarHBondContact O-N 3.09Å; I72-K75 CarbonylContact O-C 3.58Å; I72-K75 PolarHBondContact O-N 2.88Å; I72-K75 VanDerWaalsContact O-N 3.09Å; I72-L76 WeakPolarHBondContact O-CB 3.33Å; I72-L76 PolarHBondContact O-N 3.26Å
73K95.3Very high91.7Very high136 Ų136105.5 Ų105.559%0.59150%0.499SS*.Hα-helixtrans-57.2-40.1175-77.2173.8173.5167.30112.7N69 K77N69-K73 WeakPolarHBondContact O-CB 3.46Å; N69-K73 WeakPolarHBondContact O-CG 3.43Å; N69-K73 PolarHBondContact O-N 3.28Å; N69-K73 WeakPolarHBondContact OD1-CD 3.37Å; N69-K73 WeakPolarHBondContact OD1-CE 3.44Å; N69-K73 PolarHBondContact OD1-NZ 3.34Å; K73-K77 WeakPolarHBondContact O-CB 3.42Å; K73-K77 PolarHBondContact O-N 3.08Å
74R95.3Very high90.4Very high152 Ų152108 Ų10857%0.57451%0.512SS*.Hα-helixtrans-67.2-42.3173.4-79.7177.9-71.6148.8-7.5112.4T70 S71 I72 K77 I78T70-R74 WeakPolarHBondContact O-CG 3.37Å; T70-R74 PolarHBondContact O-N 3.2Å; T70-R74 PolarHBondContact O-NE 2.76Å; S71-R74 PolarHBondContact O-N 3.02Å; I72-R74 VanDerWaalsContact C-N 3.3Å; I72-R74 PolarHBondContact O-N 3.09Å; R74-K77 PolarHBondContact O-N 3.1Å; R74-I78 WeakPolarHBondContact O-CB 3.23Å; R74-I78 WeakPolarHBondContact O-CD1 3.33Å; R74-I78 WeakPolarHBondContact O-CG1 3.47Å; R74-I78 PolarHBondContact O-N 3.41Å
75K94.6Very high88.7Confident123 Ų123110.1 Ų110.154%0.53552%0.519SS..Hα-helixtrans-63.9-41.5175.3-73.7179.4179.9-176.70112.1S71 I72 I78 Y79S71-K75 WeakPolarHBondContact O-CG 3.4Å; S71-K75 PolarHBondContact O-N 3.38Å; I72-K75 CarbonylContact O-C 3.58Å; I72-K75 PolarHBondContact O-N 2.88Å; I72-K75 VanDerWaalsContact O-N 3.09Å; K75-I78 CarbonylContact O-C 3.57Å; K75-I78 WeakPolarHBondContact O-CB 3.42Å; K75-I78 PolarHBondContact O-N 3.22Å; K75-Y79 WeakPolarHBondContact O-CD2 3.5Å; K75-Y79 PolarHBondContact O-N 3.46Å
76L89.8Confident86.8Confident97 Ų97112.7 Ų112.751%0.50853%0.532SS..Hα-helixtrans-60.4-50175.1-174.766000110I72 I78 Y79 E80I72-L76 WeakPolarHBondContact O-CB 3.33Å; I72-L76 PolarHBondContact O-N 3.26Å; L76-I78 VanDerWaalsContact C-N 3.29Å; L76-I78 PolarHBondContact O-N 3.01Å; L76-Y79 CarbonylContact O-C 3.56Å; L76-Y79 WeakPolarHBondContact O-CA 3.34Å; L76-Y79 PolarHBondContact O-N 3.49Å; L76-E80 WeakPolarHBondContact O-CG 3.44Å; L76-E80 PolarHBondContact O-N 2.88Å
77K90.4Very high84.7Confident133 Ų133112.7 Ų112.758%0.57855%0.545SS*.Hα-helixtrans-61.1-34174.9-168.9163.6-173.2166.50113.7K73 R74 Y79 E80 I81K73-K77 WeakPolarHBondContact O-CB 3.42Å; K73-K77 PolarHBondContact O-N 3.08Å; R74-K77 PolarHBondContact O-N 3.1Å; K77-Y79 VanDerWaalsContact C-N 3.35Å; K77-E80 WeakPolarHBondContact CA-OE2 3.41Å; K77-I81 HydrophobicContact CG-CD1 4.24Å; K77-I81 WeakPolarHBondContact O-CB 3.34Å; K77-I81 WeakPolarHBondContact O-CD1 3.31Å; K77-I81 WeakPolarHBondContact O-CG1 3.39Å; K77-I81 PolarHBondContact O-N 3.06Å; K77-I81 VanDerWaalsContact O-N 3.09Å
78I89.5Confident82.6Confident83 Ų83110.2 Ų110.243%0.42654%0.54SS..Hα-helixtrans-67.8-35.2171.4-71.2162.2000111.1R74 K75 L76 I81 K82R74-I78 WeakPolarHBondContact O-CB 3.23Å; R74-I78 WeakPolarHBondContact O-CD1 3.33Å; R74-I78 WeakPolarHBondContact O-CG1 3.47Å; R74-I78 PolarHBondContact O-N 3.41Å; K75-I78 CarbonylContact O-C 3.57Å; K75-I78 WeakPolarHBondContact O-CB 3.42Å; K75-I78 PolarHBondContact O-N 3.22Å; L76-I78 VanDerWaalsContact C-N 3.29Å; L76-I78 PolarHBondContact O-N 3.01Å; I78-I81 PolarHBondContact O-N 3.48Å; I78-K82 HydrophobicContact CG2-CD 3.93Å; I78-K82 HydrophobicContact CG2-CG 4.32Å; I78-K82 VanDerWaalsContact O-CB 3.31Å; I78-K82 WeakPolarHBondContact O-CB 3.36Å; I78-K82 VanDerWaalsContact O-CG 3.25Å; I78-K82 WeakPolarHBondContact O-CG 3.24Å; I78-K82 PolarHBondContact O-N 3.23Å
79Y87.1Confident80.5Confident131 Ų131114.9 Ų114.951%0.51456%0.559SS.*Hα-helixtrans-75.7-35174.6-69.1-40.8000113.1K75 L76 K77 I81 K82 F83K75-Y79 WeakPolarHBondContact O-CD2 3.5Å; K75-Y79 PolarHBondContact O-N 3.46Å; L76-Y79 CarbonylContact O-C 3.56Å; L76-Y79 WeakPolarHBondContact O-CA 3.34Å; L76-Y79 PolarHBondContact O-N 3.49Å; K77-Y79 VanDerWaalsContact C-N 3.35Å; Y79-I81 PolarHBondContact O-N 3.42Å; Y79-K82 HydrophobicContact CD1-CD 4.44Å; Y79-K82 PolarHBondContact O-N 2.84Å; Y79-F83 AromaticContact CD1-CD2 3.96Å; Y79-F83 HydrophobicContact CD1-CD2 3.96Å; Y79-F83 AromaticContact CD1-CE2 3.76Å; Y79-F83 HydrophobicContact CD1-CE2 3.76Å; Y79-F83 HydrophobicContact CE1-CE2 4.21Å; Y79-F83 CarbonylContact O-C 3.6Å; Y79-F83 WeakPolarHBondContact O-CA 3.33Å; Y79-F83 WeakPolarHBondContact O-CB 3.41Å; Y79-F83 PolarHBondContact O-N 3.42Å
80E83.9Confident78.4Confident106 Ų106113.3 Ų113.350%0.49556%0.562SS.*Hα-helixtrans-57.5-38.2167.6-69.4162.9-174.200111.1L76 K77 P84L76-E80 WeakPolarHBondContact O-CG 3.44Å; L76-E80 PolarHBondContact O-N 2.88Å; K77-E80 WeakPolarHBondContact CA-OE2 3.41Å; E80-P84 VanDerWaalsContact O-CA 3.24Å; E80-P84 WeakPolarHBondContact O-CA 3.25Å; E80-P84 WeakPolarHBondContact O-CB 3.46Å
81I84.2Confident76.2Confident122 Ų122119.3 Ų119.363%0.62659%0.585SS**Hα-helixtrans-78.6-34.3177.4-67.1164.2000112.6K77 I78 Y79K77-I81 HydrophobicContact CG-CD1 4.24Å; K77-I81 WeakPolarHBondContact O-CB 3.34Å; K77-I81 WeakPolarHBondContact O-CD1 3.31Å; K77-I81 WeakPolarHBondContact O-CG1 3.39Å; K77-I81 PolarHBondContact O-N 3.06Å; K77-I81 VanDerWaalsContact O-N 3.09Å; I78-I81 PolarHBondContact O-N 3.48Å; Y79-I81 PolarHBondContact O-N 3.42Å
82K83.4Confident73.8Confident140 Ų140122.7 Ų122.761%0.60960%0.599SS**Hα-helixtrans-81.9-30.9179.9-78.4-178.9175.9-1690113.7I78 Y79I78-K82 HydrophobicContact CG2-CD 3.93Å; I78-K82 HydrophobicContact CG2-CG 4.32Å; I78-K82 VanDerWaalsContact O-CB 3.31Å; I78-K82 WeakPolarHBondContact O-CB 3.36Å; I78-K82 VanDerWaalsContact O-CG 3.25Å; I78-K82 WeakPolarHBondContact O-CG 3.24Å; I78-K82 PolarHBondContact O-N 3.23Å; Y79-K82 HydrophobicContact CD1-CD 4.44Å; Y79-K82 PolarHBondContact O-N 2.84Å
83F78.1Confident71.9Confident144 Ų144124.3 Ų124.363%0.63262%0.615SS**SBendtrans-130.163.2-179.6-52.7-73.7000108.8Y79 M85Y79-F83 AromaticContact CD1-CD2 3.96Å; Y79-F83 HydrophobicContact CD1-CD2 3.96Å; Y79-F83 AromaticContact CD1-CE2 3.76Å; Y79-F83 HydrophobicContact CD1-CE2 3.76Å; Y79-F83 HydrophobicContact CE1-CE2 4.21Å; Y79-F83 CarbonylContact O-C 3.6Å; Y79-F83 WeakPolarHBondContact O-CA 3.33Å; Y79-F83 WeakPolarHBondContact O-CB 3.41Å; Y79-F83 PolarHBondContact O-N 3.42Å; F83-M85 PolarHBondContact O-N 3.05Å
84P66.9Low69.8Low94 Ų94124.9 Ų124.961%0.6163%0.625SS**  trans-72.584.1175.231.2-32.8000108.6E80E80-P84 VanDerWaalsContact O-CA 3.24Å; E80-P84 WeakPolarHBondContact O-CA 3.25Å; E80-P84 WeakPolarHBondContact O-CB 3.46Å
85M57.8Low68Low75 Ų75122.6 Ų122.637%0.36963%0.632SS.*  trans162.5104.1159.1-93.8-165.5-36.800110F83 Y96F83-M85 PolarHBondContact O-N 3.05Å; M85-Y96 HydrophobicContact CE-CD1 3.51Å; M85-Y96 HydrophobicContact CE-CD2 3.37Å; M85-Y96 HydrophobicContact CE-CE1 3.63Å; M85-Y96 HydrophobicContact CE-CE2 3.47Å; M85-Y96 VanDerWaalsContact CE-CE2 3.47Å; M85-Y96 HydrophobicContact CE-CG 3.39Å; M85-Y96 HydrophobicContact SD-CD1 4.22Å; M85-Y96 HydrophobicContact SD-CD2 3.72Å; M85-Y96 HydrophobicContact SD-CE2 4.39Å; M85-Y96 HydrophobicContact SD-CG 3.62Å
86I56.3Low65.8Low150 Ų150124.9 Ų124.977%0.76964%0.638SS**SBendtrans-149.832135.8-32.5174.4000110.3F89I86-F89 HydrophobicContact CG2-CD2 4.08Å; I86-F89 HydrophobicContact CG2-CE2 3.83Å
87S52.6Low63.9Low114 Ų114122.6 Ų122.680%0.79763%0.63SS**SBendtrans-115.93177-164.80000113.5
88E50.8Low61.9Low113 Ų113120.8 Ų120.853%0.52863%0.634SS.*  trans-114.441-176.2-69.9168.9-151.200110.8
89F51.2Low59.9Low196 Ų196124.6 Ų124.686%0.8665%0.648SS**SBendtrans-83-3.4163.4-88.2-71.5000112.8I86I86-F89 HydrophobicContact CG2-CD2 4.08Å; I86-F89 HydrophobicContact CG2-CE2 3.83Å
90G52.8Low58.3Low46 Ų46123.9 Ų123.947%0.47465%0.649SS.*SBendtrans-112.9123.5164.500000110.1D92G90-D92 PolarHBondContact O-N 3.18Å
91E49Very low57.2Low196 Ų196121.6 Ų121.692%0.91665%0.645SS**SBendtrans76.418.7147.1-57.6170.9-160.700120
92D45Very low56.2Low114 Ų114122.6 Ų122.661%0.6165%0.645SS**  trans-125.579.1166.8-96.1-52.2000113.9G90 N94G90-D92 PolarHBondContact O-N 3.18Å; D92-N94 PolarHBondContact O-N 3.07Å
93T56.1Low55.8Low145 Ų145119.3 Ų119.389%0.8963%0.633SS**THydrogen-bonded Turntrans-69.313.5-176.623.20000116.2
94N51.4Low55.7Low149 Ų149115.8 Ų115.880%0.79762%0.624SS**THydrogen-bonded Turntrans-153.810.3-167.4-123.9-9.5000120.1D92D92-N94 PolarHBondContact O-N 3.07Å
95S56.1Low56.5Low103 Ų103113.8 Ų113.872%0.7262%0.616SS**SBendtrans-122.2-0.2-174.8-151.90000117.4
96Y48.6Very low57.9Low171 Ų171115.5 Ų115.567%0.67163%0.625SS**SBendtrans-123.151.4167.9-162.9-96000111.9M85M85-Y96 HydrophobicContact CE-CD1 3.51Å; M85-Y96 HydrophobicContact CE-CD2 3.37Å; M85-Y96 HydrophobicContact CE-CE1 3.63Å; M85-Y96 HydrophobicContact CE-CE2 3.47Å; M85-Y96 VanDerWaalsContact CE-CE2 3.47Å; M85-Y96 HydrophobicContact CE-CG 3.39Å; M85-Y96 HydrophobicContact SD-CD1 4.22Å; M85-Y96 HydrophobicContact SD-CD2 3.72Å; M85-Y96 HydrophobicContact SD-CE2 4.39Å; M85-Y96 HydrophobicContact SD-CG 3.62Å
97C50.3Low59.4Low50 Ų50113.4 Ų113.434%0.33862%0.615SS.*  trans-154.555-176.9-139.10000115.1E100 S101C97-E100 WeakPolarHBondContact SG-CB 3.37Å; C97-S101 WeakPolarHBondContact CB-OG 3.33Å; C97-S101 WeakPolarHBondContact O-CB 3.46Å; C97-S101 PolarHBondContact O-OG 2.83Å; C97-S101 VanDerWaalsContact O-OG 3.1Å; C97-S101 PolarHBondContact SG-N 3.07Å; C97-S101 PolarHBondContact SG-OG 3.24Å
98S49Very low61Low95 Ų95114.9 Ų114.966%0.66461%0.609SS**SBendtrans-90.8-27.1167.2-161.10000113.2
99F47.1Very low62.9Low163 Ų163112.9 Ų112.972%0.71561%0.608SS**SBendtrans-85.3-61.6177.5-168.2-107.5000110.1S101 K102 D103F99-S101 PolarHBondContact O-N 3.26Å; F99-K102 PolarHBondContact O-N 3.28Å; F99-K102 VanDerWaalsContact O-N 3.09Å; F99-D103 PolarHBondContact O-N 3.11Å
100E53.2Low64.9Low116 Ų116108.9 Ų108.954%0.54259%0.592SS.*Hα-helixtrans-61.8-33.3-179.8-75.4178.516300114.5C97 K102 D103 T104C97-E100 WeakPolarHBondContact SG-CB 3.37Å; E100-K102 VanDerWaalsContact C-N 3.3Å; E100-K102 PolarHBondContact O-N 2.82Å; E100-D103 PolarHBondContact O-N 2.96Å; E100-T104 WeakPolarHBondContact O-CB 3.4Å; E100-T104 WeakPolarHBondContact O-CG2 3.33Å; E100-T104 PolarHBondContact O-N 2.86Å; E100-T104 PolarHBondContact O-OG1 2.81Å
101S60.9Low66.8Low57 Ų57110.8 Ų110.840%0.39959%0.591SS.*Hα-helixtrans-69.2-26.3175.8-73.30000113.6C97 F99 T104 A105C97-S101 WeakPolarHBondContact CB-OG 3.33Å; C97-S101 WeakPolarHBondContact O-CB 3.46Å; C97-S101 PolarHBondContact O-OG 2.83Å; C97-S101 VanDerWaalsContact O-OG 3.1Å; C97-S101 PolarHBondContact SG-N 3.07Å; C97-S101 PolarHBondContact SG-OG 3.24Å; F99-S101 PolarHBondContact O-N 3.26Å; S101-T104 VanDerWaalsContact CA-OG1 3.31Å; S101-T104 WeakPolarHBondContact CA-OG1 3.35Å; S101-T104 PolarHBondContact O-OG1 3.29Å; S101-A105 WeakPolarHBondContact O-CB 3.25Å; S101-A105 PolarHBondContact O-N 3.42Å
102K64.2Low69Low144 Ų144103.4 Ų103.463%0.62657%0.568SS**Hα-helixtrans-77.6-43.1173.6-77.3178.6179.6169.70111.1F99 E100 A105 L106F99-K102 PolarHBondContact O-N 3.28Å; F99-K102 VanDerWaalsContact O-N 3.09Å; E100-K102 VanDerWaalsContact C-N 3.3Å; E100-K102 PolarHBondContact O-N 2.82Å; K102-A105 PolarHBondContact O-N 3.41Å; K102-L106 WeakPolarHBondContact O-CB 3.11Å; K102-L106 PolarHBondContact O-N 3.22Å
103D74.4Confident71.5Confident70 Ų70101.8 Ų101.837%0.37456%0.56SS.*Hα-helixtrans-66.4-40.3178.7-68.4-13.3000111.3F99 E100 L106 L107F99-D103 PolarHBondContact O-N 3.11Å; E100-D103 PolarHBondContact O-N 2.96Å; D103-L106 PolarHBondContact O-N 3Å; D103-L107 VanDerWaalsContact O-CB 3.32Å; D103-L107 WeakPolarHBondContact O-CB 3.41Å; D103-L107 WeakPolarHBondContact O-CG 3.38Å; D103-L107 PolarHBondContact O-N 3.16Å
104T76.4Confident73.4Confident70 Ų7098.6 Ų98.643%0.42954%0.537SS..Hα-helixtrans-65.8-38.8174.148.60000112.9E100 S101 Q108E100-T104 WeakPolarHBondContact O-CB 3.4Å; E100-T104 WeakPolarHBondContact O-CG2 3.33Å; E100-T104 PolarHBondContact O-N 2.86Å; E100-T104 PolarHBondContact O-OG1 2.81Å; S101-T104 VanDerWaalsContact CA-OG1 3.31Å; S101-T104 WeakPolarHBondContact CA-OG1 3.35Å; S101-T104 PolarHBondContact O-OG1 3.29Å; T104-Q108 WeakPolarHBondContact O-CB 3.39Å; T104-Q108 VanDerWaalsContact O-CG 3.23Å; T104-Q108 WeakPolarHBondContact O-CG 3.35Å; T104-Q108 PolarHBondContact O-N 2.9Å
105A83.1Confident75.6Confident53 Ų5396.8 Ų96.844%0.43852%0.523SS..Hα-helixtrans-66.1-40173.300000112.2S101 K102 Q108 S109S101-A105 WeakPolarHBondContact O-CB 3.25Å; S101-A105 PolarHBondContact O-N 3.42Å; K102-A105 PolarHBondContact O-N 3.41Å; A105-Q108 PolarHBondContact O-N 3.49Å; A105-S109 PolarHBondContact O-N 3.03Å
106L86.3Confident77.6Confident110 Ų11098 Ų9858%0.57652%0.518SS*.Hα-helixtrans-61.9-50.9173.5-108.3168.5000111K102 D103 Q108 S109 E110K102-L106 WeakPolarHBondContact O-CB 3.11Å; K102-L106 PolarHBondContact O-N 3.22Å; D103-L106 PolarHBondContact O-N 3Å; L106-Q108 VanDerWaalsContact C-N 3.31Å; L106-Q108 PolarHBondContact O-N 3.35Å; L106-S109 CarbonylContact O-C 3.59Å; L106-S109 PolarHBondContact O-N 2.91Å; L106-S109 PolarHBondContact O-OG 2.95Å; L106-E110 WeakPolarHBondContact O-CB 3.21Å; L106-E110 PolarHBondContact O-N 2.89Å
107L88.2Confident79.9Confident107 Ų10796.1 Ų96.156%0.5651%0.509SS*.Hα-helixtrans-59.9-38177.2-73168.2000112.3D103 N111D103-L107 VanDerWaalsContact O-CB 3.32Å; D103-L107 WeakPolarHBondContact O-CB 3.41Å; D103-L107 WeakPolarHBondContact O-CG 3.38Å; D103-L107 PolarHBondContact O-N 3.16Å; L107-N111 WeakPolarHBondContact O-CB 3.49Å; L107-N111 PolarHBondContact O-N 3.44Å
108Q87.2Confident82.1Confident144 Ų14497.6 Ų97.667%0.67352%0.517SS*.Hα-helixtrans-64.7-42.2172.9-76.2173.21300111.7T104 A105 L106 G112T104-Q108 WeakPolarHBondContact O-CB 3.39Å; T104-Q108 VanDerWaalsContact O-CG 3.23Å; T104-Q108 WeakPolarHBondContact O-CG 3.35Å; T104-Q108 PolarHBondContact O-N 2.9Å; A105-Q108 PolarHBondContact O-N 3.49Å; L106-Q108 VanDerWaalsContact C-N 3.31Å; L106-Q108 PolarHBondContact O-N 3.35Å; Q108-G112 PolarHBondContact O-N 3.31Å
109S90.4Very high84.5Confident72 Ų7298.1 Ų98.150%0.50351%0.512SS..Hα-helixtrans-67.6-39177.477.30000112.9A105 L106 G112 N113A105-S109 PolarHBondContact O-N 3.03Å; L106-S109 CarbonylContact O-C 3.59Å; L106-S109 PolarHBondContact O-N 2.91Å; L106-S109 PolarHBondContact O-OG 2.95Å; S109-G112 PolarHBondContact O-N 3.36Å; S109-N113 PolarHBondContact O-N 3.28Å
110E93.3Very high86.9Confident111 Ų11194.6 Ų94.652%0.51950%0.503SS..Hα-helixtrans-70.1-42176-176.8171.2-158.300111L106 G112 N113 L114L106-E110 WeakPolarHBondContact O-CB 3.21Å; L106-E110 PolarHBondContact O-N 2.89Å; E110-G112 VanDerWaalsContact C-N 3.32Å; E110-G112 PolarHBondContact O-N 2.82Å; E110-N113 CarbonylContact O-C 3.46Å; E110-N113 WeakPolarHBondContact O-CB 3.41Å; E110-N113 PolarHBondContact O-N 3.43Å; E110-N113 VanDerWaalsContact O-N 3.15Å; E110-L114 HydrophobicContact CG-CD1 4.17Å; E110-L114 HydrophobicContact CG-CG 4.45Å; E110-L114 WeakPolarHBondContact O-CB 3.43Å; E110-L114 VanDerWaalsContact O-CG 3.31Å; E110-L114 WeakPolarHBondContact O-CG 3.41Å; E110-L114 PolarHBondContact O-N 2.99Å
111N92.9Very high89Confident86 Ų8694 Ų9446%0.4650%0.503SS..Hα-helixtrans-63.6-38.3174.9-165.58.4000111.3L107 L114 H115L107-N111 WeakPolarHBondContact O-CB 3.49Å; L107-N111 PolarHBondContact O-N 3.44Å; N111-L114 PolarHBondContact O-N 3.03Å; N111-H115 WeakPolarHBondContact O-CB 3.48Å; N111-H115 PolarHBondContact O-N 3.34Å; N111-H115 PolarHBondContact O-ND1 2.86Å; N111-H115 PolarHBondContact OD1-CE1 2.87Å; N111-H115 PolarHBondContact OD1-ND1 3.38Å
112G95.1Very high90.8Very high41 Ų4195.4 Ų95.442%0.42351%0.51SS..Hα-helixtrans-62.1-42.917000000113.1Q108 S109 E110 H115 Q116Q108-G112 PolarHBondContact O-N 3.31Å; S109-G112 PolarHBondContact O-N 3.36Å; E110-G112 VanDerWaalsContact C-N 3.32Å; E110-G112 PolarHBondContact O-N 2.82Å; G112-H115 PolarHBondContact O-N 2.9Å; G112-Q116 PolarHBondContact O-N 3.45Å
113N96.5Very high92.4Very high81 Ų8194.8 Ų94.843%0.43351%0.509SS..Hα-helixtrans-63.1-43.6174.5-172.2-85000112S109 E110 Q116 R117S109-N113 PolarHBondContact O-N 3.28Å; E110-N113 CarbonylContact O-C 3.46Å; E110-N113 WeakPolarHBondContact O-CB 3.41Å; E110-N113 PolarHBondContact O-N 3.43Å; E110-N113 VanDerWaalsContact O-N 3.15Å; N113-Q116 PolarHBondContact O-N 2.93Å; N113-R117 WeakPolarHBondContact O-CG 3.47Å; N113-R117 PolarHBondContact O-N 3.4Å; N113-R117 VanDerWaalsContact OD1-CD 3.23Å; N113-R117 WeakPolarHBondContact OD1-CD 3.39Å
114L96.9Very high93.5Very high78 Ų7895 Ų9541%0.40851%0.508SS..Hα-helixtrans-63.6-44.1176.6-72.4171.2000111.2E110 N111 Q116 R117 V118E110-L114 HydrophobicContact CG-CD1 4.17Å; E110-L114 HydrophobicContact CG-CG 4.45Å; E110-L114 WeakPolarHBondContact O-CB 3.43Å; E110-L114 VanDerWaalsContact O-CG 3.31Å; E110-L114 WeakPolarHBondContact O-CG 3.41Å; E110-L114 PolarHBondContact O-N 2.99Å; N111-L114 PolarHBondContact O-N 3.03Å; L114-Q116 VanDerWaalsContact C-N 3.35Å; L114-Q116 PolarHBondContact O-N 2.89Å; L114-R117 PolarHBondContact O-N 2.86Å; L114-V118 WeakPolarHBondContact O-CB 3.48Å; L114-V118 WeakPolarHBondContact O-CG2 3.48Å; L114-V118 PolarHBondContact O-N 3.12Å
115H97.3Very high94.6Very high110 Ų11097.4 Ų97.451%0.50952%0.517SS..Hα-helixtrans-59.3-43.6172.9-82.778.1000112N111 G112 R117 V118 N119N111-H115 WeakPolarHBondContact O-CB 3.48Å; N111-H115 PolarHBondContact O-N 3.34Å; N111-H115 PolarHBondContact O-ND1 2.86Å; N111-H115 PolarHBondContact OD1-CE1 2.87Å; N111-H115 PolarHBondContact OD1-ND1 3.38Å; G112-H115 PolarHBondContact O-N 2.9Å; H115-R117 PolarHBondContact O-N 3.14Å; H115-V118 PolarHBondContact O-N 2.97Å; H115-N119 WeakPolarHBondContact O-CB 3.28Å; H115-N119 PolarHBondContact O-N 2.77Å; H115-N119 PolarHBondContact O-ND2 3.03Å
116Q97.4Very high95.3Very high130 Ų13098.9 Ų98.961%0.60752%0.515SS*.Hα-helixtrans-61.4-43.4175-171.6-179.19.200111.7G112 N113 L114 N119 V120G112-Q116 PolarHBondContact O-N 3.45Å; N113-Q116 PolarHBondContact O-N 2.93Å; L114-Q116 VanDerWaalsContact C-N 3.35Å; L114-Q116 PolarHBondContact O-N 2.89Å; Q116-N119 PolarHBondContact O-N 3.32Å; Q116-V120 WeakPolarHBondContact O-CG2 3.43Å; Q116-V120 PolarHBondContact O-N 2.9Å
117R97.4Very high95.9Very high130 Ų13098.6 Ų98.649%0.49151%0.509SS..Hα-helixtrans-65.4-39.8177.1-72.7175.263.6-164.8-4.2112.5N113 L114 H115 V120 L121N113-R117 WeakPolarHBondContact O-CG 3.47Å; N113-R117 PolarHBondContact O-N 3.4Å; N113-R117 VanDerWaalsContact OD1-CD 3.23Å; N113-R117 WeakPolarHBondContact OD1-CD 3.39Å; L114-R117 PolarHBondContact O-N 2.86Å; H115-R117 PolarHBondContact O-N 3.14Å; R117-V120 PolarHBondContact O-N 2.86Å; R117-L121 WeakPolarHBondContact O-CB 3.46Å; R117-L121 WeakPolarHBondContact O-CG 3.46Å; R117-L121 PolarHBondContact O-N 3.33Å
118V97.9Very high96.3Very high82 Ų82100.6 Ų100.650%0.49751%0.509SS..Hα-helixtrans-61.2-48173.5167.90000110L114 H115 V120 L121 T122L114-V118 WeakPolarHBondContact O-CB 3.48Å; L114-V118 WeakPolarHBondContact O-CG2 3.48Å; L114-V118 PolarHBondContact O-N 3.12Å; H115-V118 PolarHBondContact O-N 2.97Å; V118-V120 VanDerWaalsContact C-N 3.34Å; V118-V120 PolarHBondContact O-N 3.35Å; V118-L121 PolarHBondContact O-N 2.63Å; V118-L121 VanDerWaalsContact O-N 3.17Å; V118-T122 WeakPolarHBondContact O-CB 3.34Å; V118-T122 PolarHBondContact O-N 3.22Å; V118-T122 PolarHBondContact O-OG1 3.44Å
119N97.8Very high96.8Very high106 Ų10699.4 Ų99.457%0.56750%0.502SS*.Hα-helixtrans-60.2-41.1178.2-68.7-15.4000112.6H115 Q116 T122 H123H115-N119 WeakPolarHBondContact O-CB 3.28Å; H115-N119 PolarHBondContact O-N 2.77Å; H115-N119 PolarHBondContact O-ND2 3.03Å; Q116-N119 PolarHBondContact O-N 3.32Å; N119-T122 PolarHBondContact O-N 3.37Å; N119-H123 PolarHBondContact O-N 3.38Å
120V98.1Very high97.2Very high88 Ų8899.8 Ų99.853%0.53350%0.496SS..Hα-helixtrans-62.6-47174.5170.20000111.2Q116 R117 V118 T122 H123 E124Q116-V120 WeakPolarHBondContact O-CG2 3.43Å; Q116-V120 PolarHBondContact O-N 2.9Å; R117-V120 PolarHBondContact O-N 2.86Å; V118-V120 VanDerWaalsContact C-N 3.34Å; V118-V120 PolarHBondContact O-N 3.35Å; V120-T122 PolarHBondContact O-N 2.86Å; V120-H123 PolarHBondContact O-N 3.32Å; V120-E124 PolarHBondContact O-N 3.04Å
121L98Very high97.4Very high104 Ų104100.6 Ų100.655%0.54549%0.494SS..Hα-helixtrans-65.4-37178.3-71.7171.7000112.4R117 V118 E124 L125R117-L121 WeakPolarHBondContact O-CB 3.46Å; R117-L121 WeakPolarHBondContact O-CG 3.46Å; R117-L121 PolarHBondContact O-N 3.33Å; V118-L121 PolarHBondContact O-N 2.63Å; V118-L121 VanDerWaalsContact O-N 3.17Å; L121-E124 PolarHBondContact O-N 2.95Å; L121-L125 VanDerWaalsContact O-CB 3.28Å; L121-L125 WeakPolarHBondContact O-CB 3.28Å; L121-L125 PolarHBondContact O-N 2.96Å
122T97.4Very high97.6Very high86 Ų86102.2 Ų102.253%0.52850%0.498SS..Hα-helixtrans-62.1-44.4173.8-59.90000111.2V118 N119 V120 L125 Q126V118-T122 WeakPolarHBondContact O-CB 3.34Å; V118-T122 PolarHBondContact O-N 3.22Å; V118-T122 PolarHBondContact O-OG1 3.44Å; N119-T122 PolarHBondContact O-N 3.37Å; V120-T122 PolarHBondContact O-N 2.86Å; T122-L125 PolarHBondContact O-N 3.34Å; T122-Q126 PolarHBondContact O-N 3.4Å
123H98.3Very high97.7Very high132 Ų132105.8 Ų105.861%0.61150%0.504SS*.Hα-helixtrans-68.8-38.1176.9-174.948.4000112.3N119 V120 Q126 K127N119-H123 PolarHBondContact O-N 3.38Å; V120-H123 PolarHBondContact O-N 3.32Å; H123-Q126 PolarHBondContact O-N 3.13Å; H123-K127 WeakPolarHBondContact O-CB 3.32Å; H123-K127 PolarHBondContact O-N 2.87Å
124E98.1Very high97.8Very high75 Ų75107.7 Ų107.735%0.3551%0.51SS..Hα-helixtrans-65.1-39.6174.5-162.4-170147.400111.8V120 L121 K127 R128V120-E124 PolarHBondContact O-N 3.04Å; L121-E124 PolarHBondContact O-N 2.95Å; E124-K127 PolarHBondContact O-N 3.29Å; E124-R128 WeakPolarHBondContact O-CG 3.39Å; E124-R128 PolarHBondContact O-N 3.45Å; E124-R128 IonicContact OE1-CZ 3.45Å; E124-R128 VanDerWaalsContact OE1-CZ 3.28Å; E124-R128 IonicContact OE1-NE 3.57Å; E124-R128 PolarHBondContact OE1-NE 3.43Å; E124-R128 IonicContact OE1-NH2 3.51Å; E124-R128 PolarHBondContact OE1-NH2 3.42Å
125L98.1Very high97.9Very high119 Ų119109 Ų10962%0.62352%0.518SS*.Hα-helixtrans-63.3-44.2175.3-173.1153.7000111.3L121 T122 K127 R128 K129L121-L125 VanDerWaalsContact O-CB 3.28Å; L121-L125 WeakPolarHBondContact O-CB 3.28Å; L121-L125 PolarHBondContact O-N 2.96Å; T122-L125 PolarHBondContact O-N 3.34Å; L125-K127 PolarHBondContact O-N 2.93Å; L125-R128 WeakPolarHBondContact O-CB 3.4Å; L125-R128 PolarHBondContact O-N 2.87Å; L125-K129 PolarHBondContact O-N 3.21Å
126Q98.3Very high97.9Very high85 Ų85109.7 Ų109.740%0.39752%0.521SS..Hα-helixtrans-59.6-45.3174.3177.75534.600111.5T122 H123 R128 K129 E130T122-Q126 PolarHBondContact O-N 3.4Å; H123-Q126 PolarHBondContact O-N 3.13Å; Q126-R128 VanDerWaalsContact C-N 3.31Å; Q126-R128 PolarHBondContact O-N 3.47Å; Q126-K129 WeakPolarHBondContact O-CB 3.35Å; Q126-K129 PolarHBondContact O-N 3.29Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.5Å; Q126-E130 PolarHBondContact NE2-OE1 3.03Å; Q126-E130 WeakPolarHBondContact O-CG 3.42Å; Q126-E130 PolarHBondContact O-N 2.92Å
127K98.4Very high98Very high103 Ų103108.5 Ų108.545%0.44852%0.519SS..Hα-helixtrans-65.4-29.8175.4-174173-174.9172.20113.5H123 E124 L125 R131H123-K127 WeakPolarHBondContact O-CB 3.32Å; H123-K127 PolarHBondContact O-N 2.87Å; E124-K127 PolarHBondContact O-N 3.29Å; L125-K127 PolarHBondContact O-N 2.93Å; K127-R131 WeakPolarHBondContact O-CD 3.46Å; K127-R131 WeakPolarHBondContact O-CG 3.47Å; K127-R131 PolarHBondContact O-N 2.95Å
128R97.8Very high98Very high149 Ų149105.7 Ų105.756%0.56252%0.516SS*.Hα-helixtrans-70.1-42.1171.9-75.3174.4-175.4-137.25.8110.9E124 L125 Q126 E130 R131 E132E124-R128 WeakPolarHBondContact O-CG 3.39Å; E124-R128 PolarHBondContact O-N 3.45Å; E124-R128 IonicContact OE1-CZ 3.45Å; E124-R128 VanDerWaalsContact OE1-CZ 3.28Å; E124-R128 IonicContact OE1-NE 3.57Å; E124-R128 PolarHBondContact OE1-NE 3.43Å; E124-R128 IonicContact OE1-NH2 3.51Å; E124-R128 PolarHBondContact OE1-NH2 3.42Å; L125-R128 WeakPolarHBondContact O-CB 3.4Å; L125-R128 PolarHBondContact O-N 2.87Å; Q126-R128 VanDerWaalsContact C-N 3.31Å; Q126-R128 PolarHBondContact O-N 3.47Å; R128-E130 PolarHBondContact O-N 3.19Å; R128-R131 WeakPolarHBondContact O-CB 3.33Å; R128-R131 PolarHBondContact O-N 3.1Å; R128-R131 VanDerWaalsContact O-N 3.14Å; R128-E132 PolarHBondContact O-N 2.82Å
129K98.4Very high98Very high119 Ų119106.4 Ų106.452%0.51752%0.516SS..Hα-helixtrans-61.3-42176-170.4-175.1175.5-1690112.5L125 Q126 R131 E132 E133L125-K129 PolarHBondContact O-N 3.21Å; Q126-K129 WeakPolarHBondContact O-CB 3.35Å; Q126-K129 PolarHBondContact O-N 3.29Å; K129-R131 VanDerWaalsContact C-N 3.26Å; K129-R131 PolarHBondContact O-N 2.96Å; K129-E132 WeakPolarHBondContact O-CB 3.36Å; K129-E132 PolarHBondContact O-N 3.48Å; K129-E132 VanDerWaalsContact O-N 3.12Å; K129-E133 PolarHBondContact O-N 3.23Å
130E98.1Very high98.1Very high81 Ų81107.7 Ų107.738%0.37952%0.519SS..Hα-helixtrans-61.7-32.9174.6-71.9158.9-164.300112.7Q126 R128 Q134Q126-E130 WeakPolarHBondContact CG-OE1 3.5Å; Q126-E130 PolarHBondContact NE2-OE1 3.03Å; Q126-E130 WeakPolarHBondContact O-CG 3.42Å; Q126-E130 PolarHBondContact O-N 2.92Å; R128-E130 PolarHBondContact O-N 3.19Å; E130-Q134 WeakPolarHBondContact O-CG 3.4Å; E130-Q134 PolarHBondContact O-N 2.92Å
131R97.3Very high98.1Very high128 Ų128105.8 Ų105.848%0.48351%0.512SS..Hα-helixtrans-76.4-31173.3-68.6164.7172.4167.1-9.5112.9K127 R128 K129 Q134 L135K127-R131 WeakPolarHBondContact O-CD 3.46Å; K127-R131 WeakPolarHBondContact O-CG 3.47Å; K127-R131 PolarHBondContact O-N 2.95Å; R128-R131 WeakPolarHBondContact O-CB 3.33Å; R128-R131 PolarHBondContact O-N 3.1Å; R128-R131 VanDerWaalsContact O-N 3.14Å; K129-R131 VanDerWaalsContact C-N 3.26Å; K129-R131 PolarHBondContact O-N 2.96Å; R131-Q134 PolarHBondContact O-N 3.1Å; R131-L135 VanDerWaalsContact O-CG 3.29Å; R131-L135 WeakPolarHBondContact O-CG 3.27Å; R131-L135 PolarHBondContact O-N 2.93Å
132E97.1Very high98.1Very high119 Ų119108.7 Ų108.756%0.55652%0.517SS*.Hα-helixtrans-66.1-47.1175.5-170.3169.4-153.900109.8R128 K129 Q134 L135 E136R128-E132 PolarHBondContact O-N 2.82Å; K129-E132 WeakPolarHBondContact O-CB 3.36Å; K129-E132 PolarHBondContact O-N 3.48Å; K129-E132 VanDerWaalsContact O-N 3.12Å; E132-Q134 PolarHBondContact O-N 2.8Å; E132-L135 WeakPolarHBondContact O-CA 3.46Å; E132-L135 WeakPolarHBondContact O-CB 3.3Å; E132-L135 PolarHBondContact O-N 3.07Å; E132-E136 PolarHBondContact O-N 3.08Å
133E97.7Very high98.1Very high116 Ų116110.8 Ų110.854%0.54252%0.52SS..Hα-helixtrans-57.4-44.5171.6-172.2171.7-174.400111.9K129 L135 E136 D137K129-E133 PolarHBondContact O-N 3.23Å; E133-L135 VanDerWaalsContact C-N 3.28Å; E133-L135 PolarHBondContact O-N 3.14Å; E133-E136 WeakPolarHBondContact O-CB 3.34Å; E133-E136 PolarHBondContact O-N 3.2Å; E133-D137 PolarHBondContact O-N 3.14Å; E133-D137 VanDerWaalsContact O-N 3.1Å
134Q98.1Very high98.1Very high121 Ų121110.4 Ų110.457%0.56552%0.517SS*.Hα-helixtrans-62.6-30.3173.4-73.6166.28.800113.8E130 R131 E132 V138E130-Q134 WeakPolarHBondContact O-CG 3.4Å; E130-Q134 PolarHBondContact O-N 2.92Å; R131-Q134 PolarHBondContact O-N 3.1Å; E132-Q134 PolarHBondContact O-N 2.8Å; Q134-V138 VanDerWaalsContact O-CG2 3.3Å; Q134-V138 WeakPolarHBondContact O-CG2 3.35Å; Q134-V138 PolarHBondContact O-N 3.46Å
135L98.3Very high98.2Very high107 Ų107111.6 Ų111.656%0.5653%0.525SS*.Hα-helixtrans-75.8-34.4175.2-74.6167.5000111.4R131 E132 E133 V138 I139R131-L135 VanDerWaalsContact O-CG 3.29Å; R131-L135 WeakPolarHBondContact O-CG 3.27Å; R131-L135 PolarHBondContact O-N 2.93Å; E132-L135 WeakPolarHBondContact O-CA 3.46Å; E132-L135 WeakPolarHBondContact O-CB 3.3Å; E132-L135 PolarHBondContact O-N 3.07Å; E133-L135 VanDerWaalsContact C-N 3.28Å; E133-L135 PolarHBondContact O-N 3.14Å; L135-V138 PolarHBondContact O-N 2.88Å; L135-I139 WeakPolarHBondContact O-CB 3.45Å; L135-I139 WeakPolarHBondContact O-CD1 3.48Å; L135-I139 WeakPolarHBondContact O-CG1 3.48Å; L135-I139 PolarHBondContact O-N 3.44Å
136E98.2Very high98.2Very high124 Ų124112.2 Ų112.258%0.57952%0.524SS*.Hα-helixtrans-61.3-45.1172.6-68.1177.1170.900111.3E132 E133 V138 I139 Q140E132-E136 PolarHBondContact O-N 3.08Å; E133-E136 WeakPolarHBondContact O-CB 3.34Å; E133-E136 PolarHBondContact O-N 3.2Å; E136-V138 VanDerWaalsContact C-N 3.35Å; E136-V138 PolarHBondContact O-N 3.01Å; E136-I139 PolarHBondContact O-N 2.86Å; E136-Q140 PolarHBondContact O-N 3.1Å
137D98.5Very high98.2Very high105 Ų105113.5 Ų113.556%0.56153%0.531SS*.Hα-helixtrans-57.5-45173.1-77.4-22.4000112.2E133 Q140 A141E133-D137 PolarHBondContact O-N 3.14Å; E133-D137 VanDerWaalsContact O-N 3.1Å; D137-Q140 PolarHBondContact O-N 3.13Å; D137-A141 PolarHBondContact O-N 2.91Å
138V98.3Very high98.2Very high70 Ų70112.7 Ų112.742%0.42453%0.529SS..Hα-helixtrans-66.1-41.7178.81680000111.3Q134 L135 E136 A141 Y142Q134-V138 VanDerWaalsContact O-CG2 3.3Å; Q134-V138 WeakPolarHBondContact O-CG2 3.35Å; Q134-V138 PolarHBondContact O-N 3.46Å; L135-V138 PolarHBondContact O-N 2.88Å; E136-V138 VanDerWaalsContact C-N 3.35Å; E136-V138 PolarHBondContact O-N 3.01Å; V138-A141 PolarHBondContact O-N 2.98Å; V138-Y142 HydrophobicContact CG1-CD2 3.74Å; V138-Y142 HydrophobicContact CG1-CE2 3.58Å; V138-Y142 WeakPolarHBondContact O-CD2 3.5Å; V138-Y142 PolarHBondContact O-N 3.05Å
139I98.3Very high98.2Very high97 Ų97112.5 Ų112.550%0.49753%0.532SS..Hα-helixtrans-60.3-47.1174.9-71.5162.4000110.1L135 E136 A141 Y142 E143L135-I139 WeakPolarHBondContact O-CB 3.45Å; L135-I139 WeakPolarHBondContact O-CD1 3.48Å; L135-I139 WeakPolarHBondContact O-CG1 3.48Å; L135-I139 PolarHBondContact O-N 3.44Å; E136-I139 PolarHBondContact O-N 2.86Å; I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 PolarHBondContact O-N 2.96Å; I139-Y142 WeakPolarHBondContact O-CB 3.31Å; I139-Y142 PolarHBondContact O-N 3.15Å; I139-Y142 VanDerWaalsContact O-N 3.13Å; I139-E143 WeakPolarHBondContact O-CG 3.33Å; I139-E143 PolarHBondContact O-N 3.33Å
140Q98.6Very high98.2Very high134 Ų134109.4 Ų109.463%0.62653%0.526SS*.Hα-helixtrans-61.4-38.5177.6-174.1177.478.500112.2E136 D137 E143 K144E136-Q140 PolarHBondContact O-N 3.1Å; D137-Q140 PolarHBondContact O-N 3.13Å; Q140-E143 PolarHBondContact O-N 2.93Å; Q140-K144 WeakPolarHBondContact O-CB 3.5Å; Q140-K144 PolarHBondContact O-N 3.14Å
141A98.2Very high98.2Very high47 Ų47108.4 Ų108.439%0.38852%0.523SS..Hα-helixtrans-63.3-42.3173.700000112.2D137 V138 I139 K144 I145D137-A141 PolarHBondContact O-N 2.91Å; V138-A141 PolarHBondContact O-N 2.98Å; I139-A141 VanDerWaalsContact C-N 3.31Å; I139-A141 PolarHBondContact O-N 2.96Å; A141-K144 PolarHBondContact O-N 3.47Å; A141-I145 VanDerWaalsContact O-CG1 3.31Å; A141-I145 WeakPolarHBondContact O-CG1 3.49Å; A141-I145 PolarHBondContact O-N 3.4Å
142Y98.3Very high98.3Very high166 Ų166107.7 Ų107.765%0.65153%0.529SS*.Hα-helixtrans-63.2-42.4174-84.7-67.1000112.7V138 I139 K144 I145 H146V138-Y142 HydrophobicContact CG1-CD2 3.74Å; V138-Y142 HydrophobicContact CG1-CE2 3.58Å; V138-Y142 WeakPolarHBondContact O-CD2 3.5Å; V138-Y142 PolarHBondContact O-N 3.05Å; I139-Y142 WeakPolarHBondContact O-CB 3.31Å; I139-Y142 PolarHBondContact O-N 3.15Å; I139-Y142 VanDerWaalsContact O-N 3.13Å; Y142-K144 PolarHBondContact O-N 3.01Å; Y142-I145 PolarHBondContact O-N 3.33Å; Y142-H146 WeakPolarHBondContact O-CB 3.42Å; Y142-H146 PolarHBondContact O-N 3.04Å
143E98.5Very high98.4Very high129 Ų129106.7 Ų106.760%0.60352%0.524SS*.Hα-helixtrans-60.9-43175.4-71.3-176.2159.800111.9I139 Q140 H146 M147I139-E143 WeakPolarHBondContact O-CG 3.33Å; I139-E143 PolarHBondContact O-N 3.33Å; Q140-E143 PolarHBondContact O-N 2.93Å; E143-H146 PolarHBondContact O-N 3.42Å; E143-M147 PolarHBondContact O-N 3.05Å
144K98.6Very high98.4Very high124 Ų124106.5 Ų106.554%0.53952%0.518SS..Hα-helixtrans-60.9-49.8175.4-178.4176.9179.3-73.40111.6Q140 A141 Y142 H146 M147 E148Q140-K144 WeakPolarHBondContact O-CB 3.5Å; Q140-K144 PolarHBondContact O-N 3.14Å; A141-K144 PolarHBondContact O-N 3.47Å; Y142-K144 PolarHBondContact O-N 3.01Å; K144-H146 VanDerWaalsContact C-N 3.29Å; K144-H146 PolarHBondContact O-N 3.26Å; K144-M147 WeakPolarHBondContact O-CB 3.48Å; K144-M147 PolarHBondContact O-N 3.15Å; K144-E148 VanDerWaalsContact CE-OE1 3.29Å; K144-E148 WeakPolarHBondContact CE-OE1 3.2Å; K144-E148 IonicContact NZ-OE1 2.7Å; K144-E148 PolarHBondContact NZ-OE1 3.38Å; K144-E148 IonicContact NZ-OE2 3.04Å; K144-E148 WeakPolarHBondContact O-CG 3.43Å; K144-E148 PolarHBondContact O-N 3.33Å
145I98.4Very high98.4Very high101 Ų101104 Ų10452%0.51851%0.509SS..Hα-helixtrans-60.9-39.7177.8-69.1165.6000110.8A141 Y142 E148 K149A141-I145 VanDerWaalsContact O-CG1 3.31Å; A141-I145 WeakPolarHBondContact O-CG1 3.49Å; A141-I145 PolarHBondContact O-N 3.4Å; Y142-I145 PolarHBondContact O-N 3.33Å; I145-E148 PolarHBondContact O-N 3.03Å; I145-K149 WeakPolarHBondContact O-CB 3.35Å; I145-K149 PolarHBondContact O-N 2.95Å
146H98.5Very high98.4Very high131 Ų131103.2 Ų103.261%0.60651%0.505SS*.Hα-helixtrans-64.4-40.4176.7-173.2-89.2000112.2Y142 E143 K144 S150Y142-H146 WeakPolarHBondContact O-CB 3.42Å; Y142-H146 PolarHBondContact O-N 3.04Å; E143-H146 PolarHBondContact O-N 3.42Å; K144-H146 VanDerWaalsContact C-N 3.29Å; K144-H146 PolarHBondContact O-N 3.26Å; H146-S150 PolarHBondContact O-N 3.05Å
147M98.5Very high98.5Very high112 Ų112100.8 Ų100.855%0.55250%0.496SS*.Hα-helixtrans-65.7-44.2174.7-169.960.562.500112E143 K144 S150 N151E143-M147 PolarHBondContact O-N 3.05Å; K144-M147 WeakPolarHBondContact O-CB 3.48Å; K144-M147 PolarHBondContact O-N 3.15Å; M147-S150 PolarHBondContact O-N 3.28Å; M147-N151 PolarHBondContact O-N 2.78Å; M147-N151 PolarHBondContact O-ND2 3.1Å
148E98.2Very high98.5Very high86 Ų86101.5 Ų101.540%0.40249%0.494SS..Hα-helixtrans-61.4-44.7175.9-74.2171.4-176.500111.5K144 I145 S150 N151 L152K144-E148 VanDerWaalsContact CE-OE1 3.29Å; K144-E148 WeakPolarHBondContact CE-OE1 3.2Å; K144-E148 IonicContact NZ-OE1 2.7Å; K144-E148 PolarHBondContact NZ-OE1 3.38Å; K144-E148 IonicContact NZ-OE2 3.04Å; K144-E148 WeakPolarHBondContact O-CG 3.43Å; K144-E148 PolarHBondContact O-N 3.33Å; I145-E148 PolarHBondContact O-N 3.03Å; E148-S150 VanDerWaalsContact C-N 3.34Å; E148-S150 PolarHBondContact O-N 2.93Å; E148-N151 PolarHBondContact O-N 3.03Å; E148-L152 WeakPolarHBondContact O-CG 3.24Å; E148-L152 PolarHBondContact O-N 2.93Å
149K98.3Very high98.5Very high145 Ų145103.5 Ų103.563%0.6350%0.5SS*.Hα-helixtrans-56.5-44.7172.3-178-175.1176.4-174.70112I145 N151 L152 Q153I145-K149 WeakPolarHBondContact O-CB 3.35Å; I145-K149 PolarHBondContact O-N 2.95Å; K149-N151 VanDerWaalsContact C-N 3.33Å; K149-N151 PolarHBondContact O-N 3.25Å; K149-L152 PolarHBondContact O-N 2.83Å; K149-Q153 WeakPolarHBondContact O-CB 3.39Å; K149-Q153 PolarHBondContact O-N 3.23Å
150S98.5Very high98.5Very high55 Ų55102.3 Ų102.339%0.38550%0.497SS..Hα-helixtrans-64.6-36.3178.4-174.20000112.6H146 M147 E148 R154H146-S150 PolarHBondContact O-N 3.05Å; M147-S150 PolarHBondContact O-N 3.28Å; E148-S150 VanDerWaalsContact C-N 3.34Å; E148-S150 PolarHBondContact O-N 2.93Å; S150-R154 PolarHBondContact O-N 2.94Å
151N98.6Very high98.5Very high60 Ų6099.8 Ų99.832%0.32149%0.488SS..Hα-helixtrans-70.1-47175.6-68.8-31.5000111.7M147 E148 K149 Q153 R154 D155M147-N151 PolarHBondContact O-N 2.78Å; M147-N151 PolarHBondContact O-ND2 3.1Å; E148-N151 PolarHBondContact O-N 3.03Å; K149-N151 VanDerWaalsContact C-N 3.33Å; K149-N151 PolarHBondContact O-N 3.25Å; N151-Q153 VanDerWaalsContact C-N 3.33Å; N151-Q153 PolarHBondContact O-N 3.47Å; N151-R154 WeakPolarHBondContact O-CB 3.38Å; N151-R154 PolarHBondContact O-N 2.78Å; N151-R154 VanDerWaalsContact O-N 3.14Å; N151-R154 PolarHBondContact OD1-NH1 2.82Å; N151-R154 PolarHBondContact OD1-NH2 2.85Å; N151-R154 VanDerWaalsContact OD1-NH2 3.13Å; N151-D155 PolarHBondContact O-N 3.2Å
152L98.6Very high98.5Very high113 Ų113102 Ų10259%0.59249%0.493SS*.Hα-helixtrans-60.5-40.6176.1-71.4174.1000112.2E148 K149 R154 D155 L156E148-L152 WeakPolarHBondContact O-CG 3.24Å; E148-L152 PolarHBondContact O-N 2.93Å; K149-L152 PolarHBondContact O-N 2.83Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-R154 PolarHBondContact O-N 3.27Å; L152-D155 PolarHBondContact O-N 3.15Å; L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 3.35Å
153Q98.4Very high98.5Very high97 Ų9798.5 Ų98.545%0.45349%0.488SS..Hα-helixtrans-57.9-48.1173.4-175.562.555.300111K149 N151 D155 L156 D157K149-Q153 WeakPolarHBondContact O-CB 3.39Å; K149-Q153 PolarHBondContact O-N 3.23Å; N151-Q153 VanDerWaalsContact C-N 3.33Å; N151-Q153 PolarHBondContact O-N 3.47Å; Q153-D155 PolarHBondContact O-N 2.95Å; Q153-L156 WeakPolarHBondContact O-CB 3.18Å; Q153-L156 PolarHBondContact O-N 3.35Å; Q153-D157 PolarHBondContact NE2-OD1 3.1Å; Q153-D157 PolarHBondContact O-N 3.21Å
154R98.7Very high98.5Very high113 Ų11397.3 Ų97.343%0.42648%0.483SS..Hα-helixtrans-61.9-32.1179.4-161.3-172.7-51.6111.69.9112.7S150 N151 L152 K158S150-R154 PolarHBondContact O-N 2.94Å; N151-R154 WeakPolarHBondContact O-CB 3.38Å; N151-R154 PolarHBondContact O-N 2.78Å; N151-R154 VanDerWaalsContact O-N 3.14Å; N151-R154 PolarHBondContact OD1-NH1 2.82Å; N151-R154 PolarHBondContact OD1-NH2 2.85Å; N151-R154 VanDerWaalsContact OD1-NH2 3.13Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-R154 PolarHBondContact O-N 3.27Å; R154-K158 VanDerWaalsContact O-CG 3.28Å; R154-K158 WeakPolarHBondContact O-CG 3.39Å; R154-K158 PolarHBondContact O-N 2.87Å
155D98.6Very high98.6Very high69 Ų6997.5 Ų97.537%0.36948%0.484SS..Hα-helixtrans-80.1-35.6177.4-68.3-25000112.3N151 L152 Q153 K158 M159N151-D155 PolarHBondContact O-N 3.2Å; L152-D155 PolarHBondContact O-N 3.15Å; Q153-D155 PolarHBondContact O-N 2.95Å; D155-K158 PolarHBondContact O-N 2.98Å; D155-K158 WeakPolarHBondContact OD1-CE 3.28Å; D155-K158 IonicContact OD1-NZ 2.61Å; D155-K158 PolarHBondContact OD1-NZ 3.23Å; D155-M159 WeakPolarHBondContact O-CG 3.29Å; D155-M159 PolarHBondContact O-N 3.42Å
156L98.6Very high98.6Very high90 Ų9097.4 Ų97.447%0.47148%0.481SS..Hα-helixtrans-59.5-44.8166.9-73.1168.7000111.3L152 Q153 K158 M159 T160L152-L156 WeakPolarHBondContact O-CG 3.4Å; L152-L156 PolarHBondContact O-N 3.35Å; Q153-L156 WeakPolarHBondContact O-CB 3.18Å; Q153-L156 PolarHBondContact O-N 3.35Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.27Å; L156-M159 HydrophobicContact CD2-CE 3.92Å; L156-M159 PolarHBondContact O-N 3.22Å; L156-T160 WeakPolarHBondContact O-CB 3.45Å; L156-T160 PolarHBondContact O-N 3.47Å; L156-T160 PolarHBondContact O-OG1 2.97Å
157D98.6Very high98.6Very high73 Ų7394.6 Ų94.639%0.3947%0.473SS..Hα-helixtrans-60-43.6177.3-59.8-23.1000111Q153 T160 N161Q153-D157 PolarHBondContact NE2-OD1 3.1Å; Q153-D157 PolarHBondContact O-N 3.21Å; D157-T160 PolarHBondContact O-N 2.61Å; D157-N161 WeakPolarHBondContact O-CB 3.39Å; D157-N161 PolarHBondContact O-N 3.4Å; D157-N161 PolarHBondContact O-ND2 3.04Å
158K98.7Very high98.6Very high120 Ų12095.8 Ų95.852%0.52248%0.477SS..Hα-helixtrans-61.5-44.5175-71167.4-162.51660112.3R154 D155 L156 N161 L162R154-K158 VanDerWaalsContact O-CG 3.28Å; R154-K158 WeakPolarHBondContact O-CG 3.39Å; R154-K158 PolarHBondContact O-N 2.87Å; D155-K158 PolarHBondContact O-N 2.98Å; D155-K158 WeakPolarHBondContact OD1-CE 3.28Å; D155-K158 IonicContact OD1-NZ 2.61Å; D155-K158 PolarHBondContact OD1-NZ 3.23Å; L156-K158 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.27Å; K158-N161 PolarHBondContact O-N 2.85Å; K158-L162 WeakPolarHBondContact O-CB 3.37Å; K158-L162 PolarHBondContact O-N 2.97Å
159M98.6Very high98.6Very high112 Ų112100.4 Ų100.455%0.55249%0.49SS*.Hα-helixtrans-66.4-41179.3-71.8-171.5-62.500111.3D155 L156 L162 V163D155-M159 WeakPolarHBondContact O-CG 3.29Å; D155-M159 PolarHBondContact O-N 3.42Å; L156-M159 HydrophobicContact CD2-CE 3.92Å; L156-M159 PolarHBondContact O-N 3.22Å; M159-L162 WeakPolarHBondContact O-CB 3.43Å; M159-L162 PolarHBondContact O-N 3.37Å; M159-L162 VanDerWaalsContact O-N 3.14Å; M159-V163 WeakPolarHBondContact O-CG2 3.44Å; M159-V163 PolarHBondContact O-N 3.23Å
160T98.6Very high98.6Very high72 Ų7297.8 Ų97.844%0.44248%0.483SS..Hα-helixtrans-58.5-51173.6-57.30000111L156 D157 L162 V163 E164L156-T160 WeakPolarHBondContact O-CB 3.45Å; L156-T160 PolarHBondContact O-N 3.47Å; L156-T160 PolarHBondContact O-OG1 2.97Å; D157-T160 PolarHBondContact O-N 2.61Å; T160-L162 PolarHBondContact O-N 2.83Å; T160-V163 PolarHBondContact O-N 3.23Å; T160-V163 VanDerWaalsContact O-N 3.14Å; T160-E164 WeakPolarHBondContact O-CG 3.35Å; T160-E164 PolarHBondContact O-N 3.38Å
161N98.6Very high98.6Very high81 Ų81100 Ų10043%0.43349%0.489SS..Hα-helixtrans-58.3-30.8175.1-84.7-93.5000113.4D157 K158 K165D157-N161 WeakPolarHBondContact O-CB 3.39Å; D157-N161 PolarHBondContact O-N 3.4Å; D157-N161 PolarHBondContact O-ND2 3.04Å; K158-N161 PolarHBondContact O-N 2.85Å; N161-K165 WeakPolarHBondContact O-CD 3.48Å; N161-K165 VanDerWaalsContact O-CG 3.28Å; N161-K165 WeakPolarHBondContact O-CG 3.41Å; N161-K165 PolarHBondContact O-N 2.97Å
162L98.8Very high98.6Very high94 Ų9499.1 Ų99.149%0.49250%0.495SS..Hα-helixtrans-76.6-41.9177-177.761.7000111.4K158 M159 T160 K165 H166K158-L162 WeakPolarHBondContact O-CB 3.37Å; K158-L162 PolarHBondContact O-N 2.97Å; M159-L162 WeakPolarHBondContact O-CB 3.43Å; M159-L162 PolarHBondContact O-N 3.37Å; M159-L162 VanDerWaalsContact O-N 3.14Å; T160-L162 PolarHBondContact O-N 2.83Å; L162-K165 PolarHBondContact O-N 3.41Å; L162-H166 WeakPolarHBondContact CD1-NE2 3.42Å; L162-H166 PolarHBondContact O-CD2 3.02Å; L162-H166 PolarHBondContact O-N 3.47Å
163V98.7Very high98.6Very high91 Ų9198.5 Ų98.555%0.55249%0.491SS*.Hα-helixtrans-61.3-45.2174.3170.10000110.6M159 T160 K165 H166 V167M159-V163 WeakPolarHBondContact O-CG2 3.44Å; M159-V163 PolarHBondContact O-N 3.23Å; T160-V163 PolarHBondContact O-N 3.23Å; T160-V163 VanDerWaalsContact O-N 3.14Å; V163-K165 PolarHBondContact O-N 2.94Å; V163-H166 PolarHBondContact O-N 3.26Å; V163-H166 VanDerWaalsContact O-N 3.12Å; V163-V167 HydrophobicContact CG1-CG2 4.37Å; V163-V167 WeakPolarHBondContact O-CG2 3.35Å; V163-V167 PolarHBondContact O-N 3.37Å
164E98.5Very high98.6Very high104 Ų10498.5 Ų98.549%0.48649%0.491SS..Hα-helixtrans-54.9-50.7175.2-73170.5165.900111.4T160 H166 V167 E168T160-E164 WeakPolarHBondContact O-CG 3.35Å; T160-E164 PolarHBondContact O-N 3.38Å; E164-H166 VanDerWaalsContact C-N 3.3Å; E164-H166 PolarHBondContact O-N 2.94Å; E164-V167 PolarHBondContact O-N 3.45Å; E164-V167 VanDerWaalsContact O-N 3.14Å; E164-E168 WeakPolarHBondContact O-CG 3.44Å; E164-E168 PolarHBondContact O-N 3.19Å
165K98.7Very high98.5Very high129 Ų12996 Ų9656%0.56149%0.492SS*.Hα-helixtrans-61.5-35176.3-71.1169-173.5174.20113.4N161 L162 V163 R169N161-K165 WeakPolarHBondContact O-CD 3.48Å; N161-K165 VanDerWaalsContact O-CG 3.28Å; N161-K165 WeakPolarHBondContact O-CG 3.41Å; N161-K165 PolarHBondContact O-N 2.97Å; L162-K165 PolarHBondContact O-N 3.41Å; V163-K165 PolarHBondContact O-N 2.94Å; K165-R169 WeakPolarHBondContact O-CB 3.39Å; K165-R169 PolarHBondContact O-N 2.88Å
166H98.6Very high98.5Very high99 Ų9995.1 Ų95.146%0.45849%0.493SS..Hα-helixtrans-69.4-40.9174.6-75.5-53000111.8L162 V163 E164 R169 I170L162-H166 WeakPolarHBondContact CD1-NE2 3.42Å; L162-H166 PolarHBondContact O-CD2 3.02Å; L162-H166 PolarHBondContact O-N 3.47Å; V163-H166 PolarHBondContact O-N 3.26Å; V163-H166 VanDerWaalsContact O-N 3.12Å; E164-H166 VanDerWaalsContact C-N 3.3Å; E164-H166 PolarHBondContact O-N 2.94Å; H166-R169 PolarHBondContact O-N 3.01Å; H166-I170 WeakPolarHBondContact O-CD1 3.43Å; H166-I170 VanDerWaalsContact O-CG1 3.25Å; H166-I170 WeakPolarHBondContact O-CG1 3.21Å; H166-I170 PolarHBondContact O-N 2.81Å
167V98.7Very high98.5Very high72 Ų7295.6 Ų95.644%0.43650%0.496SS..Hα-helixtrans-63.5-46.9174.6171.40000110.9V163 E164 R169 I170 L171V163-V167 HydrophobicContact CG1-CG2 4.37Å; V163-V167 WeakPolarHBondContact O-CG2 3.35Å; V163-V167 PolarHBondContact O-N 3.37Å; E164-V167 PolarHBondContact O-N 3.45Å; E164-V167 VanDerWaalsContact O-N 3.14Å; V167-R169 VanDerWaalsContact C-N 3.3Å; V167-R169 PolarHBondContact O-N 2.91Å; V167-I170 PolarHBondContact O-N 3.37Å; V167-I170 VanDerWaalsContact O-N 3.16Å; V167-L171 HydrophobicContact CG1-CD1 3.96Å; V167-L171 HydrophobicContact CG1-CG 4.37Å; V167-L171 WeakPolarHBondContact O-CG 3.3Å; V167-L171 PolarHBondContact O-N 2.71Å
168E98.6Very high98.4Very high137 Ų137100.8 Ų100.864%0.6451%0.51SS*.Hα-helixtrans-55.2-44.6173.7-72.9178.2163.100111.9E164 L171 G172E164-E168 WeakPolarHBondContact O-CG 3.44Å; E164-E168 PolarHBondContact O-N 3.19Å; E168-L171 PolarHBondContact O-N 3.34Å; E168-G172 PolarHBondContact O-N 3.37Å
169R98.6Very high98.4Very high182 Ų182100.9 Ų100.969%0.68751%0.512SS*.Hα-helixtrans-65.1-40.6177.2-174.5174.7-177.9167.61112.4K165 H166 V167 G172 L173K165-R169 WeakPolarHBondContact O-CB 3.39Å; K165-R169 PolarHBondContact O-N 2.88Å; H166-R169 PolarHBondContact O-N 3.01Å; V167-R169 VanDerWaalsContact C-N 3.3Å; V167-R169 PolarHBondContact O-N 2.91Å; R169-G172 PolarHBondContact O-N 2.95Å; R169-L173 HydrophobicContact CG-CD1 4.29Å; R169-L173 VanDerWaalsContact O-CG 3.31Å; R169-L173 WeakPolarHBondContact O-CG 3.46Å; R169-L173 PolarHBondContact O-N 2.78Å
170I98.4Very high98.3Very high91 Ų91102.7 Ų102.747%0.46751%0.513SS..Hα-helixtrans-63.3-50.1176.6-70.9162.3000109.9H166 V167 G172 L173 E174H166-I170 WeakPolarHBondContact O-CD1 3.43Å; H166-I170 VanDerWaalsContact O-CG1 3.25Å; H166-I170 WeakPolarHBondContact O-CG1 3.21Å; H166-I170 PolarHBondContact O-N 2.81Å; V167-I170 PolarHBondContact O-N 3.37Å; V167-I170 VanDerWaalsContact O-N 3.16Å; I170-G172 VanDerWaalsContact C-N 3.27Å; I170-G172 PolarHBondContact O-N 3.06Å; I170-L173 PolarHBondContact O-N 3.39Å; I170-E174 HydrophobicContact CG2-CG 4.31Å; I170-E174 WeakPolarHBondContact O-CG 3.45Å; I170-E174 PolarHBondContact O-N 3.17Å
171L98.3Very high98.3Very high100 Ų100103.2 Ų103.252%0.52451%0.513SS..Hα-helixtrans-58.6-38.3177.1-67.7171.6000112.2V167 E168 S175V167-L171 HydrophobicContact CG1-CD1 3.96Å; V167-L171 HydrophobicContact CG1-CG 4.37Å; V167-L171 WeakPolarHBondContact O-CG 3.3Å; V167-L171 PolarHBondContact O-N 2.71Å; E168-L171 PolarHBondContact O-N 3.34Å; L171-S175 WeakPolarHBondContact O-CB 3.45Å; L171-S175 PolarHBondContact O-N 3.2Å
172G98.5Very high98.2Very high42 Ų42104.1 Ų104.143%0.43352%0.515SS..Hα-helixtrans-62.6-43.1172.800000113.2E168 R169 I170 S175 A176E168-G172 PolarHBondContact O-N 3.37Å; R169-G172 PolarHBondContact O-N 2.95Å; I170-G172 VanDerWaalsContact C-N 3.27Å; I170-G172 PolarHBondContact O-N 3.06Å; G172-S175 PolarHBondContact O-N 3.04Å; G172-A176 PolarHBondContact O-N 3.23Å
173L98.4Very high98.1Very high100 Ų100102.9 Ų102.952%0.52451%0.514SS..Hα-helixtrans-68.5-40.9176.4-70.4169.9000112.2R169 I170 S175 A176 L177R169-L173 HydrophobicContact CG-CD1 4.29Å; R169-L173 VanDerWaalsContact O-CG 3.31Å; R169-L173 WeakPolarHBondContact O-CG 3.46Å; R169-L173 PolarHBondContact O-N 2.78Å; I170-L173 PolarHBondContact O-N 3.39Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 3.2Å; L173-A176 PolarHBondContact O-N 2.98Å; L173-L177 WeakPolarHBondContact O-CG 3.2Å; L173-L177 PolarHBondContact O-N 2.81Å
174E98.3Very high98.1Very high97 Ų97102.5 Ų102.545%0.45351%0.509SS..Hα-helixtrans-60.7-40.9174.3-72.2179.2172.700112I170 L177 R178I170-E174 HydrophobicContact CG2-CG 4.31Å; I170-E174 WeakPolarHBondContact O-CG 3.45Å; I170-E174 PolarHBondContact O-N 3.17Å; E174-L177 PolarHBondContact O-N 2.94Å; E174-R178 PolarHBondContact O-N 3.45Å
175S98.1Very high98Very high62 Ų62103.6 Ų103.643%0.43451%0.514SS..Hα-helixtrans-63-44.1173.8-172.90000111.9L171 G172 L173 L177 R178 Q179L171-S175 WeakPolarHBondContact O-CB 3.45Å; L171-S175 PolarHBondContact O-N 3.2Å; G172-S175 PolarHBondContact O-N 3.04Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 3.2Å; S175-L177 PolarHBondContact O-N 2.8Å; S175-R178 PolarHBondContact O-N 2.98Å; S175-Q179 WeakPolarHBondContact O-CG 3.41Å; S175-Q179 PolarHBondContact O-N 3.46Å
176A97.7Very high97.9Very high49 Ų49103 Ų10341%0.40551%0.511SS..Hα-helixtrans-64.8-38.2176.700000112.7G172 L173 Q179 R180G172-A176 PolarHBondContact O-N 3.23Å; L173-A176 PolarHBondContact O-N 2.98Å; A176-Q179 PolarHBondContact O-N 2.99Å; A176-R180 PolarHBondContact O-N 3.42Å
177L98.1Very high97.8Very high100 Ų100103.3 Ų103.352%0.52452%0.516SS..Hα-helixtrans-63.3-47.1173.5-73.8172.4000111.3L173 E174 S175 Q179 R180 D181L173-L177 WeakPolarHBondContact O-CG 3.2Å; L173-L177 PolarHBondContact O-N 2.81Å; E174-L177 PolarHBondContact O-N 2.94Å; S175-L177 PolarHBondContact O-N 2.8Å; L177-Q179 PolarHBondContact O-N 3.24Å; L177-R180 WeakPolarHBondContact O-CA 3.08Å; L177-R180 VanDerWaalsContact O-CB 3.31Å; L177-R180 WeakPolarHBondContact O-CB 3.46Å; L177-R180 PolarHBondContact O-N 2.91Å; L177-R180 VanDerWaalsContact O-N 3.09Å; L177-D181 PolarHBondContact O-N 3.42Å
178R97.8Very high97.6Very high183 Ų183105 Ų10569%0.69152%0.522SS*.Hα-helixtrans-56.8-45.5175.1-81.2-179.3142.8145.6-2.6112.8E174 S175 R180 D181 E182E174-R178 PolarHBondContact O-N 3.45Å; S175-R178 PolarHBondContact O-N 2.98Å; R178-R180 VanDerWaalsContact C-N 3.3Å; R178-R180 PolarHBondContact O-N 2.95Å; R178-D181 PolarHBondContact O-N 3.41Å; R178-E182 WeakPolarHBondContact O-CG 3.37Å; R178-E182 PolarHBondContact O-N 3.47Å
179Q97.8Very high97.5Very high122 Ų122103.6 Ų103.657%0.5752%0.518SS*.Hα-helixtrans-62.9-36176.1-72-177.4-4.700112.7S175 A176 L177 S183S175-Q179 WeakPolarHBondContact O-CG 3.41Å; S175-Q179 PolarHBondContact O-N 3.46Å; A176-Q179 PolarHBondContact O-N 2.99Å; L177-Q179 PolarHBondContact O-N 3.24Å; Q179-S183 WeakPolarHBondContact O-CB 3.47Å; Q179-S183 PolarHBondContact O-N 3.18Å; Q179-S183 VanDerWaalsContact O-N 3.11Å; Q179-S183 PolarHBondContact O-OG 3.4Å
180R97.4Very high97.3Very high149 Ų149100.7 Ų100.756%0.56251%0.512SS*.Hα-helixtrans-64.7-45.5172.7-103.4-177.253.478.98.7112A176 L177 R178 S183 L184A176-R180 PolarHBondContact O-N 3.42Å; L177-R180 WeakPolarHBondContact O-CA 3.08Å; L177-R180 VanDerWaalsContact O-CB 3.31Å; L177-R180 WeakPolarHBondContact O-CB 3.46Å; L177-R180 PolarHBondContact O-N 2.91Å; L177-R180 VanDerWaalsContact O-N 3.09Å; R178-R180 VanDerWaalsContact C-N 3.3Å; R178-R180 PolarHBondContact O-N 2.95Å; R180-S183 WeakPolarHBondContact O-CB 3.46Å; R180-S183 PolarHBondContact O-N 3.21Å; R180-S183 VanDerWaalsContact O-N 3.13Å; R180-L184 WeakPolarHBondContact O-CG 3.46Å; R180-L184 PolarHBondContact O-N 3.04Å
181D97.8Very high97.1Very high83 Ų83101.1 Ų101.144%0.44452%0.515SS..Hα-helixtrans-65.6-41.7-179.8-71-21.5000111.8L177 R178 S183 L184 Q185L177-D181 PolarHBondContact O-N 3.42Å; R178-D181 PolarHBondContact O-N 3.41Å; D181-S183 VanDerWaalsContact C-N 3.26Å; D181-S183 PolarHBondContact O-N 3.22Å; D181-L184 PolarHBondContact O-N 3.45Å; D181-Q185 WeakPolarHBondContact O-CB 3.42Å; D181-Q185 WeakPolarHBondContact O-CG 3.37Å; D181-Q185 PolarHBondContact O-N 2.89Å
182E96.9Very high96.8Very high100 Ų100101.3 Ų101.347%0.46751%0.513SS..Hα-helixtrans-58.5-38.6170.6-74-178.7-156.300112.5R178 K186R178-E182 WeakPolarHBondContact O-CG 3.37Å; R178-E182 PolarHBondContact O-N 3.47Å; E182-K186 WeakPolarHBondContact O-CD 3.38Å; E182-K186 VanDerWaalsContact O-CG 3.24Å; E182-K186 WeakPolarHBondContact O-CG 3.48Å; E182-K186 PolarHBondContact O-N 3Å; E182-K186 IonicContact OE2-NZ 2.69Å
183S97.1Very high96.5Very high69 Ų69103.5 Ų103.548%0.48352%0.515SS..Hα-helixtrans-70.9-39.6178.9-59.10000111.7Q179 R180 D181 K186 L187Q179-S183 WeakPolarHBondContact O-CB 3.47Å; Q179-S183 PolarHBondContact O-N 3.18Å; Q179-S183 VanDerWaalsContact O-N 3.11Å; Q179-S183 PolarHBondContact O-OG 3.4Å; R180-S183 WeakPolarHBondContact O-CB 3.46Å; R180-S183 PolarHBondContact O-N 3.21Å; R180-S183 VanDerWaalsContact O-N 3.13Å; D181-S183 VanDerWaalsContact C-N 3.26Å; D181-S183 PolarHBondContact O-N 3.22Å; S183-K186 PolarHBondContact O-N 3.14Å; S183-L187 PolarHBondContact O-N 2.83Å
184L97.3Very high96.2Very high83 Ų83105 Ų10544%0.43552%0.517SS..Hα-helixtrans-65-41.4172.7-74.5171.7000111.7R180 D181 L187 N188R180-L184 WeakPolarHBondContact O-CG 3.46Å; R180-L184 PolarHBondContact O-N 3.04Å; D181-L184 PolarHBondContact O-N 3.45Å; L184-L187 PolarHBondContact O-N 3.38Å; L184-N188 VanDerWaalsContact O-CB 3.28Å; L184-N188 WeakPolarHBondContact O-CB 3.33Å; L184-N188 PolarHBondContact O-N 3.48Å
185Q96.4Very high95.8Very high127 Ų127104.3 Ų104.359%0.59352%0.517SS*.Hα-helixtrans-60.5-45.3174-74.1177.211.100111.5D181 L187 N188 I189D181-Q185 WeakPolarHBondContact O-CB 3.42Å; D181-Q185 WeakPolarHBondContact O-CG 3.37Å; D181-Q185 PolarHBondContact O-N 2.89Å; Q185-L187 PolarHBondContact O-N 3.04Å; Q185-N188 PolarHBondContact O-N 3.21Å; Q185-I189 VanDerWaalsContact O-CG1 3.3Å; Q185-I189 WeakPolarHBondContact O-CG1 3.42Å; Q185-I189 PolarHBondContact O-N 2.91Å
186K96.8Very high95.2Very high117 Ų117106 Ų10651%0.50952%0.519SS..Hα-helixtrans-58.8-44.6174.9-71.6160.5-168.5158.10111.6E182 S183 Q190E182-K186 WeakPolarHBondContact O-CD 3.38Å; E182-K186 VanDerWaalsContact O-CG 3.24Å; E182-K186 WeakPolarHBondContact O-CG 3.48Å; E182-K186 PolarHBondContact O-N 3Å; E182-K186 IonicContact OE2-NZ 2.69Å; S183-K186 PolarHBondContact O-N 3.14Å; K186-Q190 WeakPolarHBondContact O-CG 3.36Å; K186-Q190 PolarHBondContact O-N 2.65Å; K186-Q190 VanDerWaalsContact O-N 3.11Å
187L96.2Very high94.6Very high105 Ų105108.8 Ų108.855%0.5552%0.523SS..Hα-helixtrans-66.1-41.4177.3-171.971.3000112.3S183 L184 Q185 I189 Q190 L191S183-L187 PolarHBondContact O-N 2.83Å; L184-L187 PolarHBondContact O-N 3.38Å; Q185-L187 PolarHBondContact O-N 3.04Å; L187-I189 PolarHBondContact O-N 3.39Å; L187-Q190 WeakPolarHBondContact O-CB 3.4Å; L187-Q190 PolarHBondContact O-N 2.97Å; L187-Q190 VanDerWaalsContact O-N 3.15Å; L187-L191 PolarHBondContact O-N 2.87Å
188N96.2Very high93.8Very high107 Ų107110.9 Ų110.957%0.57253%0.525SS*.Hα-helixtrans-63.7-41.8179.1-165.96.8000111.3L184 Q185 Q190 L191 H192L184-N188 VanDerWaalsContact O-CB 3.28Å; L184-N188 WeakPolarHBondContact O-CB 3.33Å; L184-N188 PolarHBondContact O-N 3.48Å; Q185-N188 PolarHBondContact O-N 3.21Å; N188-Q190 VanDerWaalsContact C-N 3.34Å; N188-Q190 PolarHBondContact O-N 3.46Å; N188-L191 PolarHBondContact O-N 3.06Å; N188-H192 WeakPolarHBondContact O-CB 3.45Å; N188-H192 PolarHBondContact O-N 3.4Å
189I95.4Very high93Very high107 Ų107107.6 Ų107.655%0.54952%0.521SS..Hα-helixtrans-61.8-40.8172.3-66.3163.1000111.2Q185 L187 N193Q185-I189 VanDerWaalsContact O-CG1 3.3Å; Q185-I189 WeakPolarHBondContact O-CG1 3.42Å; Q185-I189 PolarHBondContact O-N 2.91Å; L187-I189 PolarHBondContact O-N 3.39Å; I189-N193 WeakPolarHBondContact O-CB 3.37Å; I189-N193 VanDerWaalsContact O-CG 3.24Å; I189-N193 PolarHBondContact O-N 3.46Å; I189-N193 PolarHBondContact O-ND2 3.43Å; I189-N193 VanDerWaalsContact O-ND2 3.1Å
190Q94.5Very high92Very high122 Ų122109.5 Ų109.557%0.5753%0.53SS*.Hα-helixtrans-64.3-42.6175.7-72.9176.2900112.5K186 L187 N188 N193 K194K186-Q190 WeakPolarHBondContact O-CG 3.36Å; K186-Q190 PolarHBondContact O-N 2.65Å; K186-Q190 VanDerWaalsContact O-N 3.11Å; L187-Q190 WeakPolarHBondContact O-CB 3.4Å; L187-Q190 PolarHBondContact O-N 2.97Å; L187-Q190 VanDerWaalsContact O-N 3.15Å; N188-Q190 VanDerWaalsContact C-N 3.34Å; N188-Q190 PolarHBondContact O-N 3.46Å; Q190-N193 PolarHBondContact O-N 2.99Å; Q190-K194 WeakPolarHBondContact O-CG 3.39Å; Q190-K194 PolarHBondContact O-N 3.45Å; Q190-K194 VanDerWaalsContact O-N 3.08Å
191L94.3Very high90.7Very high100 Ų100109.3 Ų109.352%0.52454%0.539SS..Hα-helixtrans-63.3-48.3176.9-175.964.4000110.8L187 N188 N193 K194 D195L187-L191 PolarHBondContact O-N 2.87Å; N188-L191 PolarHBondContact O-N 3.06Å; L191-N193 VanDerWaalsContact C-N 3.3Å; L191-N193 PolarHBondContact O-N 3.46Å; L191-K194 CarbonylContact O-C 3.54Å; L191-K194 WeakPolarHBondContact O-CA 3.47Å; L191-K194 WeakPolarHBondContact O-CB 3.35Å; L191-K194 PolarHBondContact O-N 3.44Å; L191-D195 PolarHBondContact O-N 3.37Å
192H91.8Very high89Confident103 Ų103111 Ų11148%0.47754%0.544SS..Hα-helixtrans-60.6-38.3178.4-165.163.7000112.6N188 K194 D195 M196N188-H192 WeakPolarHBondContact O-CB 3.45Å; N188-H192 PolarHBondContact O-N 3.4Å; H192-K194 VanDerWaalsContact C-N 3.3Å; H192-K194 PolarHBondContact O-N 2.78Å; H192-D195 PolarHBondContact O-N 3.22Å; H192-M196 WeakPolarHBondContact O-CB 3.49Å; H192-M196 WeakPolarHBondContact O-CG 3.25Å; H192-M196 PolarHBondContact O-N 3.37Å
193N91.9Very high87.1Confident89 Ų89110.1 Ų110.148%0.47655%0.554SS.*Hα-helixtrans-63.7-33.4171.9-74.7-32.2000112.7I189 Q190 L191 Q197I189-N193 WeakPolarHBondContact O-CB 3.37Å; I189-N193 VanDerWaalsContact O-CG 3.24Å; I189-N193 PolarHBondContact O-N 3.46Å; I189-N193 PolarHBondContact O-ND2 3.43Å; I189-N193 VanDerWaalsContact O-ND2 3.1Å; Q190-N193 PolarHBondContact O-N 2.99Å; L191-N193 VanDerWaalsContact C-N 3.3Å; L191-N193 PolarHBondContact O-N 3.46Å; N193-Q197 VanDerWaalsContact O-CG 3.27Å; N193-Q197 WeakPolarHBondContact O-CG 3.46Å; N193-Q197 PolarHBondContact O-N 2.96Å; N193-Q197 VanDerWaalsContact O-N 3.13Å
194K91.9Very high85.3Confident130 Ų130109.5 Ų109.557%0.56556%0.558SS**Hα-helixtrans-74-40.7175.3-73.9-70.9175.3-166.10112.4Q190 L191 H192 M196 Q197 Y198Q190-K194 WeakPolarHBondContact O-CG 3.39Å; Q190-K194 PolarHBondContact O-N 3.45Å; Q190-K194 VanDerWaalsContact O-N 3.08Å; L191-K194 CarbonylContact O-C 3.54Å; L191-K194 WeakPolarHBondContact O-CA 3.47Å; L191-K194 WeakPolarHBondContact O-CB 3.35Å; L191-K194 PolarHBondContact O-N 3.44Å; H192-K194 VanDerWaalsContact C-N 3.3Å; H192-K194 PolarHBondContact O-N 2.78Å; K194-M196 VanDerWaalsContact C-N 3.34Å; K194-M196 PolarHBondContact O-N 2.81Å; K194-Q197 WeakPolarHBondContact O-CB 3.41Å; K194-Q197 PolarHBondContact O-N 3.33Å; K194-Y198 WeakPolarHBondContact O-CB 3.28Å; K194-Y198 PolarHBondContact O-N 3.31Å
195D89.6Confident83.5Confident84 Ų84112 Ų11245%0.44958%0.58SS.*Hα-helixtrans-62.6-42.4175.1-66.4-24.6000111L191 H192 Q197 Y198 L199L191-D195 PolarHBondContact O-N 3.37Å; H192-D195 PolarHBondContact O-N 3.22Å; D195-Q197 PolarHBondContact O-N 2.73Å; D195-Y198 PolarHBondContact O-N 2.92Å; D195-L199 WeakPolarHBondContact O-CB 3.47Å; D195-L199 PolarHBondContact O-N 3.31Å
196M86.4Confident81Confident97 Ų97112.5 Ų112.548%0.47859%0.586SS.*Hα-helixtrans-62.7-41.4173.5-71.5-6615300112.2H192 K194 L199 Q200H192-M196 WeakPolarHBondContact O-CB 3.49Å; H192-M196 WeakPolarHBondContact O-CG 3.25Å; H192-M196 PolarHBondContact O-N 3.37Å; K194-M196 VanDerWaalsContact C-N 3.34Å; K194-M196 PolarHBondContact O-N 2.81Å; M196-L199 PolarHBondContact O-N 2.87Å; M196-Q200 VanDerWaalsContact O-CB 3.3Å; M196-Q200 WeakPolarHBondContact O-CB 3.3Å; M196-Q200 PolarHBondContact O-N 2.94Å
197Q84.6Confident78.9Confident107 Ų107116.4 Ų116.450%0.560%0.603SS.*Hα-helixtrans-62.3-41.1173.2-75.9170.88.800112.3N193 K194 D195 Q200 L201N193-Q197 VanDerWaalsContact O-CG 3.27Å; N193-Q197 WeakPolarHBondContact O-CG 3.46Å; N193-Q197 PolarHBondContact O-N 2.96Å; N193-Q197 VanDerWaalsContact O-N 3.13Å; K194-Q197 WeakPolarHBondContact O-CB 3.41Å; K194-Q197 PolarHBondContact O-N 3.33Å; D195-Q197 PolarHBondContact O-N 2.73Å; Q197-Q200 PolarHBondContact O-N 2.7Å; Q197-L201 WeakPolarHBondContact O-CG 3.49Å; Q197-L201 PolarHBondContact O-N 3Å
198Y81.3Confident76.6Confident144 Ų144118.5 Ų118.557%0.56561%0.61SS**Hα-helixtrans-65-46.2177.3-177.4-96.4000111.6K194 D195 Q200 L201 H202K194-Y198 WeakPolarHBondContact O-CB 3.28Å; K194-Y198 PolarHBondContact O-N 3.31Å; D195-Y198 PolarHBondContact O-N 2.92Å; Y198-Q200 VanDerWaalsContact C-N 3.32Å; Y198-Q200 PolarHBondContact O-N 3.45Å; Y198-L201 PolarHBondContact O-N 3.36Å; Y198-L201 VanDerWaalsContact O-N 3.14Å; Y198-H202 AromaticContact CD2-CD2 3.73Å; Y198-H202 AromaticContact CE1-CD2 3.73Å; Y198-H202 AromaticContact CE2-CD2 3.31Å; Y198-H202 WeakPolarHBondContact CE2-CD2 3.34Å; Y198-H202 AromaticContact CE2-NE2 3.39Å; Y198-H202 WeakPolarHBondContact CE2-NE2 3.34Å; Y198-H202 AromaticContact CZ-CD2 3.3Å; Y198-H202 AromaticContact CZ-NE2 3.61Å; Y198-H202 PolarHBondContact O-N 3.36Å
199L81.6Confident74.7Confident114 Ų114121.5 Ų121.560%0.59762%0.622SS**Hα-helixtrans-64.8-36.8178.4-151.372.4000111.7D195 M196 L201 H202 A203D195-L199 WeakPolarHBondContact O-CB 3.47Å; D195-L199 PolarHBondContact O-N 3.31Å; M196-L199 PolarHBondContact O-N 2.87Å; L199-L201 VanDerWaalsContact C-N 3.29Å; L199-L201 PolarHBondContact O-N 2.95Å; L199-H202 PolarHBondContact O-N 2.69Å; L199-A203 WeakPolarHBondContact O-CB 3.45Å; L199-A203 PolarHBondContact O-N 3Å
200Q75.9Confident72.8Confident162 Ų162123.7 Ų123.776%0.75763%0.634SS**Hα-helixtrans-63.9-32.3174.4-159.677.364.900112.7M196 Q197 Y198M196-Q200 VanDerWaalsContact O-CB 3.3Å; M196-Q200 WeakPolarHBondContact O-CB 3.3Å; M196-Q200 PolarHBondContact O-N 2.94Å; Q197-Q200 PolarHBondContact O-N 2.7Å; Y198-Q200 VanDerWaalsContact C-N 3.32Å; Y198-Q200 PolarHBondContact O-N 3.45Å
201L71.3Confident70.5Confident145 Ų145124.5 Ų124.576%0.75964%0.643SS**Hα-helixtrans-82-25.7177.1-71168.3000113.2Q197 Y198 L199Q197-L201 WeakPolarHBondContact O-CG 3.49Å; Q197-L201 PolarHBondContact O-N 3Å; Y198-L201 PolarHBondContact O-N 3.36Å; Y198-L201 VanDerWaalsContact O-N 3.14Å; L199-L201 VanDerWaalsContact C-N 3.29Å; L199-L201 PolarHBondContact O-N 2.95Å
202H61.2Low68.1Low120 Ų120125.1 Ų125.156%0.55665%0.654SS**Hα-helixtrans-105.87.3-177.8-76.5-69.7000115.1Y198 L199 G204Y198-H202 AromaticContact CD2-CD2 3.73Å; Y198-H202 AromaticContact CE1-CD2 3.73Å; Y198-H202 AromaticContact CE2-CD2 3.31Å; Y198-H202 WeakPolarHBondContact CE2-CD2 3.34Å; Y198-H202 AromaticContact CE2-NE2 3.39Å; Y198-H202 WeakPolarHBondContact CE2-NE2 3.34Å; Y198-H202 AromaticContact CZ-CD2 3.3Å; Y198-H202 AromaticContact CZ-NE2 3.61Å; Y198-H202 PolarHBondContact O-N 3.36Å; L199-H202 PolarHBondContact O-N 2.69Å; H202-G204 PolarHBondContact O-N 2.81Å
203A58.2Low66Low81 Ų81125.6 Ų125.667%0.66967%0.666SS**  trans-72.729.1173.500000114.6L199L199-A203 WeakPolarHBondContact O-CB 3.45Å; L199-A203 PolarHBondContact O-N 3Å
204G59.2Low63.8Low55 Ų55125.9 Ų125.957%0.56768%0.681SS**  trans-87.5135.4172.300000111H202 D206H202-G204 PolarHBondContact O-N 2.81Å; G204-D206 PolarHBondContact O-N 2.73Å
205P58.6Low61.8Low137 Ų137127.3 Ų127.389%0.8969%0.694SS**  trans-82.284.7-177.833.6-34.3000110.6
206D45Very low59.9Low136 Ų136129 Ų12973%0.72771%0.707SS**  trans-133.7129.1168.2-135.5-23.6000114.3G204 H208G204-D206 PolarHBondContact O-N 2.73Å; D206-H208 PolarHBondContact O-N 3.01Å; D206-H208 IonicContact OD1-CD2 3.28Å
207K52.6Low58.2Low199 Ų199130.9 Ų130.987%0.86572%0.719SS**  trans-89.377.4-173.8-81-179.9171.81770110.3
208H48.1Very low56.4Low149 Ų149134.3 Ų134.369%0.6974%0.735SS**  trans-114.386166.3-75.4-72.4000111.2D206 L210D206-H208 PolarHBondContact O-N 3.01Å; D206-H208 IonicContact OD1-CD2 3.28Å; H208-L210 VanDerWaalsContact C-N 3.25Å; H208-L210 PolarHBondContact O-N 3.48Å
209M55.3Low54.9Low171 Ų171130 Ų13084%0.84273%0.726SS**  trans-61.590.8160.5-173.4-174.183.200107.7D211M209-D211 PolarHBondContact O-N 3.03Å
210L55.4Low53.5Low152 Ų152127.5 Ų127.580%0.79672%0.718SS**  trans-73.8110.3175.3-86.3155.8000108.6H208 C212H208-L210 VanDerWaalsContact C-N 3.25Å; H208-L210 PolarHBondContact O-N 3.48Å; L210-C212 PolarHBondContact O-N 3.09Å
211D45.9Very low52.6Low140 Ų140130.2 Ų130.275%0.74972%0.721SS**  trans-53110.4162.8-96.4-34.7000108.7M209 P213M209-D211 PolarHBondContact O-N 3.03Å; D211-P213 WeakPolarHBondContact O-CD 3.4Å
212C44.6Very low51.9Low112 Ų112126 Ų12676%0.75770%0.703SS**  trans-68.6121.5160.9-69.80000107.2L210 A214L210-C212 PolarHBondContact O-N 3.09Å; C212-A214 PolarHBondContact O-N 3.35Å; C212-A214 VanDerWaalsContact O-N 3.09Å
213P47.2Very low51.8Low113 Ų113125.2 Ų125.273%0.73470%0.703SS**  trans-57.7122.4172.4-20.632.3000108.3D211 L215D211-P213 WeakPolarHBondContact O-CD 3.4Å; P213-L215 VanDerWaalsContact C-N 3.27Å; P213-L215 PolarHBondContact O-N 3.04Å
214A45.5Very low52.4Low95 Ų95125.7 Ų125.779%0.78569%0.694SS**  trans-65.688.417800000109.6C212 T216C212-A214 PolarHBondContact O-N 3.35Å; C212-A214 VanDerWaalsContact O-N 3.09Å; A214-T216 PolarHBondContact O-N 3.46Å
215L51Low53.1Low160 Ų160126.6 Ų126.684%0.83869%0.689SS**  trans-58.7113.4164.3-69.3-177.9000106.5P213 L217P213-L215 VanDerWaalsContact C-N 3.27Å; P213-L215 PolarHBondContact O-N 3.04Å; L215-L217 PolarHBondContact O-N 3.34Å
216T48.2Very low53.8Low119 Ų119125.5 Ų125.573%0.7368%0.675SS**  trans-56.7106.7-165.548.10000111.5A214 Q218A214-T216 PolarHBondContact O-N 3.46Å; T216-Q218 PolarHBondContact O-N 3.06Å
217L52.2Low55.5Low138 Ų138121.9 Ų121.972%0.72366%0.66SS**  trans-68.372165.2-76.8169.9000109.8L215 S219L215-L217 PolarHBondContact O-N 3.34Å; L217-S219 PolarHBondContact O-N 3.17Å
218Q46.6Very low57.1Low178 Ų178117 Ų11783%0.83264%0.644SS**THydrogen-bonded Turntrans-76.3-3.5160.9-67.6-156.5-19.200111.9T216T216-Q218 PolarHBondContact O-N 3.06Å
219S48.7Very low59.1Low54 Ų54114.9 Ų114.938%0.37864%0.637SS.*THydrogen-bonded Turntrans-92.87.9-176-169.10000115.3L217 S222 L223L217-S219 PolarHBondContact O-N 3.17Å; S219-S222 PolarHBondContact O-OG 2.98Å; S219-S222 VanDerWaalsContact O-OG 3.1Å; S219-S222 PolarHBondContact OG-OG 3.43Å; S219-S222 VanDerWaalsContact OG-OG 3.09Å; S219-L223 PolarHBondContact O-N 2.9Å
220S53.4Low60.8Low62 Ų62112.5 Ų112.543%0.43462%0.622SS.*Hα-helixtrans-63.6-47.7179.3-44.50000111.4S222 L223 D224S220-S222 VanDerWaalsContact C-N 3.27Å; S220-S222 PolarHBondContact O-N 2.78Å; S220-L223 PolarHBondContact O-N 3.23Å; S220-D224 VanDerWaalsContact O-CG 3.25Å; S220-D224 PolarHBondContact O-N 3.42Å; S220-D224 VanDerWaalsContact O-N 3.08Å
221R55.8Low62.5Low219 Ų219109.8 Ų109.883%0.82661%0.608SS**Hα-helixtrans-65.1-24.8-177.9-68.8-172175.9-156.7-2.3114.6T225R221-T225 WeakPolarHBondContact O-CG2 3.22Å; R221-T225 PolarHBondContact O-OG1 2.92Å
222S57.1Low64.7Low55 Ų55109 Ų10939%0.38560%0.599SS.*Hα-helixtrans-88.5-30.4178.651.10000112.8S219 S220 T225 L226S219-S222 PolarHBondContact O-OG 2.98Å; S219-S222 VanDerWaalsContact O-OG 3.1Å; S219-S222 PolarHBondContact OG-OG 3.43Å; S219-S222 VanDerWaalsContact OG-OG 3.09Å; S220-S222 VanDerWaalsContact C-N 3.27Å; S220-S222 PolarHBondContact O-N 2.78Å; S222-T225 WeakPolarHBondContact CA-OG1 3.27Å; S222-T225 PolarHBondContact O-OG1 3.49Å; S222-L226 WeakPolarHBondContact O-CG 3.49Å; S222-L226 PolarHBondContact O-N 3.06Å
223L59.8Low67.1Low104 Ų104112.8 Ų112.855%0.54560%0.598SS.*Hα-helixtrans-66.4-45.6170.9-88.7161000110.9S219 S220 T225 L226 S227S219-L223 PolarHBondContact O-N 2.9Å; S220-L223 PolarHBondContact O-N 3.23Å; L223-T225 VanDerWaalsContact C-N 3.34Å; L223-T225 PolarHBondContact O-N 3.26Å; L223-L226 PolarHBondContact O-N 3.43Å; L223-S227 PolarHBondContact O-N 3Å; L223-S227 PolarHBondContact O-OG 3.42Å
224D70.3Confident69.3Low92 Ų92112 Ų11249%0.49259%0.587SS.*Hα-helixtrans-55.3-47.9176.7-63.8-24.2000111S220 L226 S227 D228S220-D224 VanDerWaalsContact O-CG 3.25Å; S220-D224 PolarHBondContact O-N 3.42Å; S220-D224 VanDerWaalsContact O-N 3.08Å; D224-L226 VanDerWaalsContact C-N 3.28Å; D224-L226 PolarHBondContact O-N 3.12Å; D224-S227 WeakPolarHBondContact CA-OG 3.24Å; D224-S227 PolarHBondContact O-N 3.36Å; D224-S227 PolarHBondContact O-OG 2.87Å; D224-D228 PolarHBondContact O-N 2.98Å
225T73.3Confident71.6Confident74 Ų74113 Ų11345%0.45458%0.575SS.*Hα-helixtrans-63.6-28.5176.952.50000114.2R221 S222 L223 L229R221-T225 WeakPolarHBondContact O-CG2 3.22Å; R221-T225 PolarHBondContact O-OG1 2.92Å; S222-T225 WeakPolarHBondContact CA-OG1 3.27Å; S222-T225 PolarHBondContact O-OG1 3.49Å; L223-T225 VanDerWaalsContact C-N 3.34Å; L223-T225 PolarHBondContact O-N 3.26Å; T225-L229 WeakPolarHBondContact O-CB 3.31Å; T225-L229 WeakPolarHBondContact O-CD1 3.44Å; T225-L229 VanDerWaalsContact O-CG 3.25Å; T225-L229 WeakPolarHBondContact O-CG 3.49Å; T225-L229 PolarHBondContact O-N 3.19Å; T225-L229 VanDerWaalsContact O-N 3.11Å
226L75.1Confident73.6Confident113 Ų113108.5 Ų108.559%0.59256%0.561SS**Hα-helixtrans-79.1-34176.1-75.7170.6000112S222 L223 D224 K230S222-L226 WeakPolarHBondContact O-CG 3.49Å; S222-L226 PolarHBondContact O-N 3.06Å; L223-L226 PolarHBondContact O-N 3.43Å; D224-L226 VanDerWaalsContact C-N 3.28Å; D224-L226 PolarHBondContact O-N 3.12Å; L226-K230 WeakPolarHBondContact O-CB 3.18Å; L226-K230 PolarHBondContact O-N 2.92Å; L226-K230 VanDerWaalsContact O-N 3.07Å
227S79.8Confident75.9Confident60 Ų60108.7 Ų108.742%0.4255%0.554SS.*Hα-helixtrans-66.7-40.7169.139.10000112L223 D224 K230 L231L223-S227 PolarHBondContact O-N 3Å; L223-S227 PolarHBondContact O-OG 3.42Å; D224-S227 WeakPolarHBondContact CA-OG 3.24Å; D224-S227 PolarHBondContact O-N 3.36Å; D224-S227 PolarHBondContact O-OG 2.87Å; S227-K230 PolarHBondContact O-N 2.87Å; S227-L231 WeakPolarHBondContact O-CB 3.42Å; S227-L231 PolarHBondContact O-N 2.93Å
228D86.6Confident77.9Confident97 Ų97106.5 Ų106.552%0.51954%0.542SS..Hα-helixtrans-63.3-45.8178.1-67.5-15.8000111.1D224 K230 L231 Q232D224-D228 PolarHBondContact O-N 2.98Å; D228-K230 VanDerWaalsContact C-N 3.32Å; D228-K230 PolarHBondContact O-N 2.96Å; D228-L231 PolarHBondContact O-N 3.35Å; D228-Q232 WeakPolarHBondContact O-CB 3.29Å; D228-Q232 PolarHBondContact O-N 3Å
229L90.2Very high80.3Confident104 Ų104102.4 Ų102.455%0.54552%0.523SS..Hα-helixtrans-63.6-35.3174.8-73.6170.1000112.7T225 R233T225-L229 WeakPolarHBondContact O-CB 3.31Å; T225-L229 WeakPolarHBondContact O-CD1 3.44Å; T225-L229 VanDerWaalsContact O-CG 3.25Å; T225-L229 WeakPolarHBondContact O-CG 3.49Å; T225-L229 PolarHBondContact O-N 3.19Å; T225-L229 VanDerWaalsContact O-N 3.11Å; L229-R233 WeakPolarHBondContact O-CB 3.46Å; L229-R233 PolarHBondContact O-N 3.37Å
230K91.3Very high82.5Confident121 Ų121101.6 Ų101.653%0.52652%0.523SS..Hα-helixtrans-70.1-39.6175.5-173.8177.7-179.7-178.80111.7L226 S227 D228 R233 L234L226-K230 WeakPolarHBondContact O-CB 3.18Å; L226-K230 PolarHBondContact O-N 2.92Å; L226-K230 VanDerWaalsContact O-N 3.07Å; S227-K230 PolarHBondContact O-N 2.87Å; D228-K230 VanDerWaalsContact C-N 3.32Å; D228-K230 PolarHBondContact O-N 2.96Å; K230-R233 PolarHBondContact O-N 2.98Å; K230-L234 HydrophobicContact CG-CD1 4.42Å; K230-L234 WeakPolarHBondContact O-CG 3.47Å; K230-L234 PolarHBondContact O-N 3.46Å
231L89.8Confident84.5Confident96 Ų96101.2 Ų101.250%0.50352%0.524SS..Hα-helixtrans-65.8-48.4175.8-176.4138.7000110.4S227 D228 R233 L234 E235S227-L231 WeakPolarHBondContact O-CB 3.42Å; S227-L231 PolarHBondContact O-N 2.93Å; D228-L231 PolarHBondContact O-N 3.35Å; L231-R233 VanDerWaalsContact C-N 3.26Å; L231-R233 PolarHBondContact O-N 3.08Å; L231-L234 CarbonylContact O-C 3.59Å; L231-L234 PolarHBondContact O-N 3.45Å; L231-E235 VanDerWaalsContact CD2-CD 3.47Å; L231-E235 HydrophobicContact CD2-CG 4.23Å; L231-E235 WeakPolarHBondContact CD2-OE1 3.38Å; L231-E235 WeakPolarHBondContact O-CG 3.47Å; L231-E235 PolarHBondContact O-N 2.71Å
232Q92.7Very high86.4Confident122 Ų12298 Ų9857%0.5751%0.512SS*.Hα-helixtrans-59.3-34.8175.4-168.5178.616.400112.5D228 A236D228-Q232 WeakPolarHBondContact O-CB 3.29Å; D228-Q232 PolarHBondContact O-N 3Å; Q232-A236 WeakPolarHBondContact O-CB 3.3Å; Q232-A236 PolarHBondContact O-N 2.91Å
233R94.1Very high88.3Confident192 Ų192101.2 Ų101.273%0.72552%0.52SS*.Hα-helixtrans-67.6-43.3173.6-167179.4-160.9-123.86.5112.2L229 K230 L231 A236 E237L229-R233 WeakPolarHBondContact O-CB 3.46Å; L229-R233 PolarHBondContact O-N 3.37Å; K230-R233 PolarHBondContact O-N 2.98Å; L231-R233 VanDerWaalsContact C-N 3.26Å; L231-R233 PolarHBondContact O-N 3.08Å; R233-A236 PolarHBondContact O-N 3.02Å; R233-E237 WeakPolarHBondContact O-CB 3.28Å; R233-E237 PolarHBondContact O-N 3.38Å
234L94.7Very high90Very high97 Ų97103 Ų10351%0.50853%0.526SS..Hα-helixtrans-69.1-35.1177.2-72.2169000112.2K230 L231 E237 L238K230-L234 HydrophobicContact CG-CD1 4.42Å; K230-L234 WeakPolarHBondContact O-CG 3.47Å; K230-L234 PolarHBondContact O-N 3.46Å; L231-L234 CarbonylContact O-C 3.59Å; L231-L234 PolarHBondContact O-N 3.45Å; L234-E237 PolarHBondContact O-N 3.46Å; L234-L238 VanDerWaalsContact O-CB 3.23Å; L234-L238 WeakPolarHBondContact O-CB 3.33Å; L234-L238 PolarHBondContact O-N 3.32Å
235E92.9Very high91.2Very high116 Ų116101.1 Ų101.154%0.54252%0.523SS..Hα-helixtrans-64.5-45.3171.6-73.5179.4152.200111L231 E237 L238 E239L231-E235 VanDerWaalsContact CD2-CD 3.47Å; L231-E235 HydrophobicContact CD2-CG 4.23Å; L231-E235 WeakPolarHBondContact CD2-OE1 3.38Å; L231-E235 WeakPolarHBondContact O-CG 3.47Å; L231-E235 PolarHBondContact O-N 2.71Å; E235-E237 VanDerWaalsContact C-N 3.33Å; E235-E237 PolarHBondContact O-N 3Å; E235-L238 PolarHBondContact O-N 2.98Å; E235-E239 WeakPolarHBondContact O-CB 3.34Å; E235-E239 PolarHBondContact O-N 3.13Å
236A93.9Very high92.3Very high65 Ų65103 Ų10354%0.53753%0.527SS..Hα-helixtrans-63.6-36.5174.900000112.9Q232 R233 G240Q232-A236 WeakPolarHBondContact O-CB 3.3Å; Q232-A236 PolarHBondContact O-N 2.91Å; R233-A236 PolarHBondContact O-N 3.02Å; A236-G240 PolarHBondContact O-N 3.03Å
237E95.2Very high93.3Very high123 Ų12398.4 Ų98.458%0.57551%0.506SS*.Hα-helixtrans-69.6-40.7175.6-172167.7-157.800111.8R233 L234 E235 G240 A241R233-E237 WeakPolarHBondContact O-CB 3.28Å; R233-E237 PolarHBondContact O-N 3.38Å; L234-E237 PolarHBondContact O-N 3.46Å; E235-E237 VanDerWaalsContact C-N 3.33Å; E235-E237 PolarHBondContact O-N 3Å; E237-G240 PolarHBondContact O-N 2.98Å; E237-A241 WeakPolarHBondContact O-CB 3.45Å; E237-A241 PolarHBondContact O-N 2.99Å
238L95.7Very high93.9Very high93 Ų9397.5 Ų97.549%0.48750%0.503SS..Hα-helixtrans-68.5-39174.8-179142.7000112.2L234 E235 A241 R242L234-L238 VanDerWaalsContact O-CB 3.23Å; L234-L238 WeakPolarHBondContact O-CB 3.33Å; L234-L238 PolarHBondContact O-N 3.32Å; E235-L238 PolarHBondContact O-N 2.98Å; L238-A241 PolarHBondContact O-N 3.27Å; L238-R242 WeakPolarHBondContact O-CG 3.5Å; L238-R242 PolarHBondContact O-N 2.94Å
239E96.4Very high94.4Very high91 Ų9196.6 Ų96.643%0.42550%0.503SS..Hα-helixtrans-66.7-40.3173.4-155.275.1-8900110.7E235 R242 H243E235-E239 WeakPolarHBondContact O-CB 3.34Å; E235-E239 PolarHBondContact O-N 3.13Å; E239-R242 WeakPolarHBondContact O-CB 3.26Å; E239-R242 PolarHBondContact O-N 3.36Å; E239-R242 WeakPolarHBondContact OE1-CD 3.46Å; E239-R242 IonicContact OE1-NH1 3.9Å; E239-H243 PolarHBondContact O-N 3.33Å; E239-H243 PolarHBondContact O-ND1 2.97Å
240G95.4Very high94.7Very high37 Ų3796.4 Ų96.438%0.38150%0.499SS..Hα-helixtrans-58.6-49171.600000112.4A236 E237 R242 H243 E244A236-G240 PolarHBondContact O-N 3.03Å; E237-G240 PolarHBondContact O-N 2.98Å; G240-R242 VanDerWaalsContact C-N 3.29Å; G240-R242 PolarHBondContact O-N 2.96Å; G240-H243 PolarHBondContact O-N 3.46Å; G240-E244 PolarHBondContact O-N 3.18Å
241A95.2Very high94.9Very high54 Ų5497 Ų9745%0.44650%0.498SS..Hα-helixtrans-61.7-34.4176.600000112.7E237 L238 A245E237-A241 WeakPolarHBondContact O-CB 3.45Å; E237-A241 PolarHBondContact O-N 2.99Å; L238-A241 PolarHBondContact O-N 3.27Å; A241-A245 VanDerWaalsContact O-CB 3.24Å; A241-A245 WeakPolarHBondContact O-CB 3.31Å; A241-A245 PolarHBondContact O-N 3Å
242R95.9Very high95.1Very high152 Ų15298.8 Ų98.857%0.57450%0.504SS*.Hα-helixtrans-65.3-45.6172.7-78172.2171.5-172.30.1112.5L238 E239 G240 E244 A245 Q246L238-R242 WeakPolarHBondContact O-CG 3.5Å; L238-R242 PolarHBondContact O-N 2.94Å; E239-R242 WeakPolarHBondContact O-CB 3.26Å; E239-R242 PolarHBondContact O-N 3.36Å; E239-R242 WeakPolarHBondContact OE1-CD 3.46Å; E239-R242 IonicContact OE1-NH1 3.9Å; G240-R242 VanDerWaalsContact C-N 3.29Å; G240-R242 PolarHBondContact O-N 2.96Å; R242-E244 VanDerWaalsContact C-N 3.33Å; R242-A245 PolarHBondContact O-N 2.76Å; R242-Q246 WeakPolarHBondContact O-CB 3.37Å; R242-Q246 PolarHBondContact O-N 2.9Å
243H96.6Very high95.3Very high122 Ų12299.8 Ų99.857%0.56551%0.509SS*.Hα-helixtrans-64.5-39.1176.8-73.681.7000111.5E239 G240 G247E239-H243 PolarHBondContact O-N 3.33Å; E239-H243 PolarHBondContact O-ND1 2.97Å; G240-H243 PolarHBondContact O-N 3.46Å; H243-G247 PolarHBondContact O-N 2.87Å
244E95.8Very high95.4Very high142 Ų14297 Ų9766%0.66450%0.504SS*.Hα-helixtrans-66.3-44.8175.5-175.1169-163.100112.2G240 R242 G247 A248G240-E244 PolarHBondContact O-N 3.18Å; R242-E244 VanDerWaalsContact C-N 3.33Å; E244-G247 PolarHBondContact O-N 3.29Å; E244-A248 PolarHBondContact O-N 2.96Å
245A94.4Very high95.4Very high52 Ų5298.7 Ų98.743%0.4351%0.511SS..Hα-helixtrans-62.3-43.2175.200000111.9A241 R242 G247 A248 C249A241-A245 VanDerWaalsContact O-CB 3.24Å; A241-A245 WeakPolarHBondContact O-CB 3.31Å; A241-A245 PolarHBondContact O-N 3Å; R242-A245 PolarHBondContact O-N 2.76Å; A245-G247 VanDerWaalsContact C-N 3.34Å; A245-G247 PolarHBondContact O-N 2.77Å; A245-A248 WeakPolarHBondContact O-CB 3.47Å; A245-A248 PolarHBondContact O-N 2.87Å; A245-A248 VanDerWaalsContact O-N 3.13Å; A245-C249 PolarHBondContact O-N 3.13Å; A245-C249 PolarHBondContact O-SG 3.38Å
246Q96.5Very high95.6Very high115 Ų11599.6 Ų99.654%0.53751%0.513SS..Hα-helixtrans-61.7-42.5175-175.9176.6-1.800111.6R242 A248 C249 Q250R242-Q246 WeakPolarHBondContact O-CB 3.37Å; R242-Q246 PolarHBondContact O-N 2.9Å; Q246-A248 VanDerWaalsContact C-N 3.29Å; Q246-A248 PolarHBondContact O-N 3.49Å; Q246-C249 PolarHBondContact O-N 2.98Å; Q246-Q250 WeakPolarHBondContact O-CG 3.05Å; Q246-Q250 PolarHBondContact O-N 2.99Å
247G96.4Very high95.8Very high15 Ų1599.5 Ų99.516%0.15551%0.512CS..Hα-helixtrans-65.4-30.4173.600000113.3H243 E244 A245 R251H243-G247 PolarHBondContact O-N 2.87Å; E244-G247 PolarHBondContact O-N 3.29Å; A245-G247 VanDerWaalsContact C-N 3.34Å; A245-G247 PolarHBondContact O-N 2.77Å; G247-R251 WeakPolarHBondContact O-CG 3.29Å; G247-R251 VanDerWaalsContact O-CZ 3.27Å; G247-R251 PolarHBondContact O-N 3.39Å; G247-R251 PolarHBondContact O-NH1 3.17Å
248A93Very high95.8Very high42 Ų4297.6 Ų97.635%0.34750%0.503SS..Hα-helixtrans-69.2-45.5172.500000111.7E244 A245 Q246 Q250 R251 E252E244-A248 PolarHBondContact O-N 2.96Å; A245-A248 WeakPolarHBondContact O-CB 3.47Å; A245-A248 PolarHBondContact O-N 2.87Å; A245-A248 VanDerWaalsContact O-N 3.13Å; Q246-A248 VanDerWaalsContact C-N 3.29Å; Q246-A248 PolarHBondContact O-N 3.49Å; A248-Q250 VanDerWaalsContact C-N 3.31Å; A248-Q250 PolarHBondContact O-N 2.89Å; A248-R251 PolarHBondContact O-N 3.39Å; A248-E252 PolarHBondContact O-N 3.4Å
249C95.5Very high95.7Very high77 Ų7796.2 Ų96.252%0.5250%0.499SS..Hα-helixtrans-60.1-38.9175.4-64.50000112.5A245 Q246 E252 E253A245-C249 PolarHBondContact O-N 3.13Å; A245-C249 PolarHBondContact O-SG 3.38Å; Q246-C249 PolarHBondContact O-N 2.98Å; C249-E252 WeakPolarHBondContact O-CB 3.45Å; C249-E252 PolarHBondContact O-N 2.91Å; C249-E253 PolarHBondContact O-N 3.32Å
250Q96.5Very high95.7Very high100 Ų10095.9 Ų95.947%0.46750%0.497SS..Hα-helixtrans-62.8-44.2175.3-74.4173-4.300112Q246 A248 E252 E253 E254Q246-Q250 WeakPolarHBondContact O-CG 3.05Å; Q246-Q250 PolarHBondContact O-N 2.99Å; A248-Q250 VanDerWaalsContact C-N 3.31Å; A248-Q250 PolarHBondContact O-N 2.89Å; Q250-E252 VanDerWaalsContact C-N 3.3Å; Q250-E252 PolarHBondContact O-N 2.89Å; Q250-E253 PolarHBondContact O-N 3.19Å; Q250-E254 WeakPolarHBondContact O-CG 3.21Å; Q250-E254 PolarHBondContact O-N 2.62Å
251R96.2Very high95.9Very high135 Ų13599.8 Ų99.851%0.50950%0.5SS..Hα-helixtrans-65.3-32.7175.3-69.3-176.1-59.5-92.46.4112.8G247 A248 M255G247-R251 WeakPolarHBondContact O-CG 3.29Å; G247-R251 VanDerWaalsContact O-CZ 3.27Å; G247-R251 PolarHBondContact O-N 3.39Å; G247-R251 PolarHBondContact O-NH1 3.17Å; A248-R251 PolarHBondContact O-N 3.39Å; R251-M255 WeakPolarHBondContact O-CB 3.46Å; R251-M255 PolarHBondContact O-N 3.27Å
252E94.4Very high95.9Very high133 Ų133100.7 Ų100.762%0.62150%0.497SS*.Hα-helixtrans-65.9-44172.4-170.1-171.4153.500111.1A248 C249 Q250 M255 K256A248-E252 PolarHBondContact O-N 3.4Å; C249-E252 WeakPolarHBondContact O-CB 3.45Å; C249-E252 PolarHBondContact O-N 2.91Å; Q250-E252 VanDerWaalsContact C-N 3.3Å; Q250-E252 PolarHBondContact O-N 2.89Å; E252-M255 PolarHBondContact O-N 3.44Å; E252-K256 WeakPolarHBondContact O-CB 3.47Å; E252-K256 PolarHBondContact O-N 3.25Å
253E96.4Very high95.8Very high142 Ų14298 Ų9866%0.66449%0.489SS*.Hα-helixtrans-63.6-43.6177.4-172.2168.7-157.100112.2C249 Q250 K256 A257C249-E253 PolarHBondContact O-N 3.32Å; Q250-E253 PolarHBondContact O-N 3.19Å; E253-K256 PolarHBondContact O-N 3.08Å; E253-A257 PolarHBondContact O-N 3Å
254E96.1Very high95.8Very high134 Ų13496.2 Ų96.263%0.62648%0.484SS*.Hα-helixtrans-59-48.5172.7-72.5172.5175.400112Q250 K256 A257 E258Q250-E254 WeakPolarHBondContact O-CG 3.21Å; Q250-E254 PolarHBondContact O-N 2.62Å; E254-K256 VanDerWaalsContact C-N 3.3Å; E254-K256 PolarHBondContact O-N 3.5Å; E254-A257 PolarHBondContact O-N 3.31Å; E254-E258 PolarHBondContact O-N 3.36Å
255M95.6Very high95.8Very high133 Ų13393.5 Ų93.566%0.65547%0.471SS*.Hα-helixtrans-64.8-36.1178.7-170.1-178.8-58.600111.8R251 E252 E258 V259R251-M255 WeakPolarHBondContact O-CB 3.46Å; R251-M255 PolarHBondContact O-N 3.27Å; E252-M255 PolarHBondContact O-N 3.44Å; M255-E258 PolarHBondContact O-N 3.02Å; M255-V259 WeakPolarHBondContact O-CG2 3.39Å; M255-V259 PolarHBondContact O-N 3.47Å
256K96.6Very high95.7Very high135 Ų13595.4 Ų95.459%0.58747%0.474SS*.Hα-helixtrans-67.4-39.8176-173177-177.3177.90111.9E252 E253 E254 V259 E260E252-K256 WeakPolarHBondContact O-CB 3.47Å; E252-K256 PolarHBondContact O-N 3.25Å; E253-K256 PolarHBondContact O-N 3.08Å; E254-K256 VanDerWaalsContact C-N 3.3Å; E254-K256 PolarHBondContact O-N 3.5Å; K256-V259 PolarHBondContact O-N 3.23Å; K256-E260 PolarHBondContact O-N 2.87Å
257A97.1Very high95.7Very high63 Ų6396.2 Ų96.252%0.52147%0.472SS..Hα-helixtrans-62.3-42.1173.200000111.7E253 E254 E260 R261E253-A257 PolarHBondContact O-N 3Å; E254-A257 PolarHBondContact O-N 3.31Å; A257-E260 PolarHBondContact O-N 3.46Å; A257-R261 PolarHBondContact O-N 3.36Å
258E96.3Very high95.5Very high82 Ų82101.6 Ų101.638%0.38349%0.493SS..Hα-helixtrans-66.4-36.6175.7-176.859.5-16700112.4E254 M255 R261 L262E254-E258 PolarHBondContact O-N 3.36Å; M255-E258 PolarHBondContact O-N 3.02Å; E258-R261 VanDerWaalsContact CD-NE 3.33Å; E258-R261 WeakPolarHBondContact O-CB 3.3Å; E258-R261 PolarHBondContact O-N 2.96Å; E258-R261 IonicContact OE1-CZ 2.73Å; E258-R261 IonicContact OE1-NE 3.72Å; E258-R261 PolarHBondContact OE1-NE 2.88Å; E258-R261 IonicContact OE1-NH2 2.81Å; E258-R261 PolarHBondContact OE1-NH2 3.37Å; E258-R261 WeakPolarHBondContact OE2-CD 3.43Å; E258-R261 IonicContact OE2-CZ 2.91Å; E258-R261 IonicContact OE2-NE 3.15Å; E258-R261 PolarHBondContact OE2-NE 3.04Å; E258-R261 IonicContact OE2-NH2 3.93Å; E258-L262 HydrophobicContact CG-CD1 4.17Å; E258-L262 WeakPolarHBondContact O-CB 3.49Å; E258-L262 WeakPolarHBondContact O-CG 3.46Å; E258-L262 PolarHBondContact O-N 3.39Å
259V93.8Very high95.5Very high65 Ų65104.5 Ų104.539%0.39450%0.502SS..Hα-helixtrans-63.3-41.4172.9164.90000112.1M255 K256 K263M255-V259 WeakPolarHBondContact O-CG2 3.39Å; M255-V259 PolarHBondContact O-N 3.47Å; K256-V259 PolarHBondContact O-N 3.23Å; V259-K263 HydrophobicContact CG1-CD 4.32Å; V259-K263 VanDerWaalsContact O-CG 3.28Å; V259-K263 WeakPolarHBondContact O-CG 3.37Å; V259-K263 PolarHBondContact O-N 3.09Å
260E96.6Very high95Very high84 Ų84106 Ų10639%0.39350%0.502SS..Hα-helixtrans-67.1-41.5173.8-64-50127.700111.6K256 A257 L262 K263 D264K256-E260 PolarHBondContact O-N 2.87Å; A257-E260 PolarHBondContact O-N 3.46Å; E260-L262 VanDerWaalsContact C-N 3.33Å; E260-L262 PolarHBondContact O-N 3.47Å; E260-K263 WeakPolarHBondContact O-CB 3.5Å; E260-K263 PolarHBondContact O-N 2.94Å; E260-K263 VanDerWaalsContact O-N 3.15Å; E260-K263 IonicContact OE1-NZ 3.69Å; E260-K263 PolarHBondContact OE1-NZ 3.44Å; E260-K263 IonicContact OE2-NZ 3Å; E260-D264 PolarHBondContact O-N 3.33Å
261R97.9Very high94.6Very high119 Ų119104.6 Ų104.645%0.44950%0.497SS..Hα-helixtrans-56.1-46174.6-165.1-162.668671.9111.9A257 E258 D264 E265A257-R261 PolarHBondContact O-N 3.36Å; E258-R261 VanDerWaalsContact CD-NE 3.33Å; E258-R261 WeakPolarHBondContact O-CB 3.3Å; E258-R261 PolarHBondContact O-N 2.96Å; E258-R261 IonicContact OE1-CZ 2.73Å; E258-R261 IonicContact OE1-NE 3.72Å; E258-R261 PolarHBondContact OE1-NE 2.88Å; E258-R261 IonicContact OE1-NH2 2.81Å; E258-R261 PolarHBondContact OE1-NH2 3.37Å; E258-R261 WeakPolarHBondContact OE2-CD 3.43Å; E258-R261 IonicContact OE2-CZ 2.91Å; E258-R261 IonicContact OE2-NE 3.15Å; E258-R261 PolarHBondContact OE2-NE 3.04Å; E258-R261 IonicContact OE2-NH2 3.93Å; R261-D264 PolarHBondContact O-N 2.85Å; R261-E265 IonicContact CZ-OE2 2.69Å; R261-E265 IonicContact NH1-OE2 2.62Å; R261-E265 PolarHBondContact NH1-OE2 2.85Å; R261-E265 IonicContact NH2-OE2 3.28Å; R261-E265 PolarHBondContact NH2-OE2 3.38Å; R261-E265 PolarHBondContact O-N 2.89Å
262L96.8Very high94Very high73 Ų73101.5 Ų101.538%0.38249%0.491SS..Hα-helixtrans-68.3-34.3177.7-73.7168.3000112.8E258 E260 E265 I266E258-L262 HydrophobicContact CG-CD1 4.17Å; E258-L262 WeakPolarHBondContact O-CB 3.49Å; E258-L262 WeakPolarHBondContact O-CG 3.46Å; E258-L262 PolarHBondContact O-N 3.39Å; E260-L262 VanDerWaalsContact C-N 3.33Å; E260-L262 PolarHBondContact O-N 3.47Å; L262-E265 PolarHBondContact O-N 2.78Å; L262-I266 WeakPolarHBondContact O-CB 3.38Å; L262-I266 VanDerWaalsContact O-CG1 3.27Å; L262-I266 WeakPolarHBondContact O-CG1 3.33Å; L262-I266 PolarHBondContact O-N 2.66Å
263K93.4Very high93.3Very high94 Ų94100.4 Ų100.441%0.40949%0.486SS..Hα-helixtrans-63.5-41.5173.7-77.1167.5-177.4172.60111.9V259 E260 I266 R267V259-K263 HydrophobicContact CG1-CD 4.32Å; V259-K263 VanDerWaalsContact O-CG 3.28Å; V259-K263 WeakPolarHBondContact O-CG 3.37Å; V259-K263 PolarHBondContact O-N 3.09Å; E260-K263 WeakPolarHBondContact O-CB 3.5Å; E260-K263 PolarHBondContact O-N 2.94Å; E260-K263 VanDerWaalsContact O-N 3.15Å; E260-K263 IonicContact OE1-NZ 3.69Å; E260-K263 PolarHBondContact OE1-NZ 3.44Å; E260-K263 IonicContact OE2-NZ 3Å; K263-I266 PolarHBondContact O-N 3.27Å; K263-R267 WeakPolarHBondContact O-CB 3.49Å; K263-R267 PolarHBondContact O-N 2.91Å
264D95.7Very high92.4Very high85 Ų85101.1 Ų101.146%0.45548%0.482SS..Hα-helixtrans-73.2-34.2178.3-73.2-21.7000112E260 R261 R267 Q268E260-D264 PolarHBondContact O-N 3.33Å; R261-D264 PolarHBondContact O-N 2.85Å; D264-R267 WeakPolarHBondContact O-CB 3.43Å; D264-R267 PolarHBondContact O-N 3.38Å; D264-R267 IonicContact OD1-CZ 2.63Å; D264-R267 IonicContact OD1-NE 3.13Å; D264-R267 PolarHBondContact OD1-NE 2.96Å; D264-R267 VanDerWaalsContact OD1-NE 3.15Å; D264-R267 IonicContact OD1-NH2 3.61Å; D264-R267 PolarHBondContact OD1-NH2 2.8Å; D264-Q268 WeakPolarHBondContact O-CB 3.46Å; D264-Q268 PolarHBondContact O-N 3.38Å
265E96.1Very high91.4Very high85 Ų85101.3 Ų101.340%0.39748%0.483SS..Hα-helixtrans-61.3-44.7169.7-171.5171.5-17900111.8R261 L262 R267 Q268 L269R261-E265 IonicContact CZ-OE2 2.69Å; R261-E265 IonicContact NH1-OE2 2.62Å; R261-E265 PolarHBondContact NH1-OE2 2.85Å; R261-E265 IonicContact NH2-OE2 3.28Å; R261-E265 PolarHBondContact NH2-OE2 3.38Å; R261-E265 PolarHBondContact O-N 2.89Å; L262-E265 PolarHBondContact O-N 2.78Å; E265-R267 VanDerWaalsContact C-N 3.35Å; E265-R267 PolarHBondContact O-N 3.14Å; E265-Q268 PolarHBondContact O-N 3.34Å; E265-L269 HydrophobicContact CG-CD1 4.42Å; E265-L269 WeakPolarHBondContact O-CB 3.44Å; E265-L269 VanDerWaalsContact O-CG 3.31Å; E265-L269 WeakPolarHBondContact O-CG 3.22Å; E265-L269 PolarHBondContact O-N 3.36Å
266I93.1Very high90.1Very high93 Ų93103.2 Ų103.248%0.47748%0.483SS..Hα-helixtrans-61.8-41.8173.6-71.1165.4000111.4L262 K263 L269 Q270L262-I266 WeakPolarHBondContact O-CB 3.38Å; L262-I266 VanDerWaalsContact O-CG1 3.27Å; L262-I266 WeakPolarHBondContact O-CG1 3.33Å; L262-I266 PolarHBondContact O-N 2.66Å; K263-I266 PolarHBondContact O-N 3.27Å; I266-L269 PolarHBondContact O-N 2.85Å; I266-Q270 VanDerWaalsContact O-CG 3.3Å; I266-Q270 WeakPolarHBondContact O-CG 3.48Å; I266-Q270 PolarHBondContact O-N 3.35Å
267R95.3Very high88.5Confident131 Ų131100.5 Ų100.549%0.49447%0.473SS..Hα-helixtrans-62.2-45.7178.2-165.4-167.4-44-73.7-2.8111K263 D264 E265 Q270 D271K263-R267 WeakPolarHBondContact O-CB 3.49Å; K263-R267 PolarHBondContact O-N 2.91Å; D264-R267 WeakPolarHBondContact O-CB 3.43Å; D264-R267 PolarHBondContact O-N 3.38Å; D264-R267 IonicContact OD1-CZ 2.63Å; D264-R267 IonicContact OD1-NE 3.13Å; D264-R267 PolarHBondContact OD1-NE 2.96Å; D264-R267 VanDerWaalsContact OD1-NE 3.15Å; D264-R267 IonicContact OD1-NH2 3.61Å; D264-R267 PolarHBondContact OD1-NH2 2.8Å; E265-R267 VanDerWaalsContact C-N 3.35Å; E265-R267 PolarHBondContact O-N 3.14Å; R267-Q270 WeakPolarHBondContact O-CB 3.42Å; R267-Q270 PolarHBondContact O-N 2.87Å; R267-D271 PolarHBondContact O-N 3.29Å
268Q93.6Very high86.5Confident129 Ų129105.8 Ų105.860%0.60349%0.488SS*.Hα-helixtrans-64.1-43177.8-172.5165.21.400111.6D264 E265 Q270 D271 D272D264-Q268 WeakPolarHBondContact O-CB 3.46Å; D264-Q268 PolarHBondContact O-N 3.38Å; E265-Q268 PolarHBondContact O-N 3.34Å; Q268-Q270 VanDerWaalsContact C-N 3.3Å; Q268-Q270 PolarHBondContact O-N 3.29Å; Q268-D271 PolarHBondContact O-N 3.32Å; Q268-D272 WeakPolarHBondContact O-CB 3.23Å; Q268-D272 PolarHBondContact O-N 2.91Å
269L91.4Very high84.6Confident103 Ų103107.3 Ų107.354%0.53950%0.503SS..Hα-helixtrans-62.6-34.5174.1-71.3170.5000113E265 I266 Q273E265-L269 HydrophobicContact CG-CD1 4.42Å; E265-L269 WeakPolarHBondContact O-CB 3.44Å; E265-L269 VanDerWaalsContact O-CG 3.31Å; E265-L269 WeakPolarHBondContact O-CG 3.22Å; E265-L269 PolarHBondContact O-N 3.36Å; I266-L269 PolarHBondContact O-N 2.85Å; L269-Q273 VanDerWaalsContact O-CB 3.3Å; L269-Q273 WeakPolarHBondContact O-CB 3.33Å; L269-Q273 PolarHBondContact O-N 3.37Å
270Q86.5Confident82.5Confident109 Ų109106.2 Ų106.251%0.50950%0.499SS..Hα-helixtrans-69.2-37.4174.9-75.9175.73.500112.5I266 R267 Q268 R274I266-Q270 VanDerWaalsContact O-CG 3.3Å; I266-Q270 WeakPolarHBondContact O-CG 3.48Å; I266-Q270 PolarHBondContact O-N 3.35Å; R267-Q270 WeakPolarHBondContact O-CB 3.42Å; R267-Q270 PolarHBondContact O-N 2.87Å; Q268-Q270 VanDerWaalsContact C-N 3.3Å; Q268-Q270 PolarHBondContact O-N 3.29Å; Q270-R274 WeakPolarHBondContact O-CB 3.49Å; Q270-R274 PolarHBondContact O-N 2.96Å
271D88.3Confident80.4Confident70 Ų70106.8 Ų106.837%0.37451%0.51SS..Hα-helixtrans-77.5-37.9177.2-70.8-30.9000111.7R267 Q268 Q273 R274 E275R267-D271 PolarHBondContact O-N 3.29Å; Q268-D271 PolarHBondContact O-N 3.32Å; D271-Q273 VanDerWaalsContact C-N 3.28Å; D271-Q273 PolarHBondContact O-N 3.4Å; D271-R274 WeakPolarHBondContact O-CA 3.28Å; D271-R274 WeakPolarHBondContact O-CB 3.33Å; D271-R274 PolarHBondContact O-N 2.98Å; D271-R274 IonicContact OD1-CZ 3.58Å; D271-R274 IonicContact OD1-NE 3.67Å; D271-R274 PolarHBondContact OD1-NE 3.25Å; D271-R274 VanDerWaalsContact OD1-NE 3.14Å; D271-R274 IonicContact OD1-NH2 3.6Å; D271-R274 PolarHBondContact OD1-NH2 3.5Å; D271-R274 VanDerWaalsContact OD1-NH2 3.13Å; D271-E275 PolarHBondContact O-N 3.17Å
272D83.6Confident78.5Confident70 Ų70104.9 Ų104.937%0.37451%0.514SS..Hα-helixtrans-57.8-40.2167.7-76.9-7.8000111.5Q268 R276Q268-D272 WeakPolarHBondContact O-CB 3.23Å; Q268-D272 PolarHBondContact O-N 2.91Å; D272-R276 WeakPolarHBondContact O-CB 3.44Å; D272-R276 PolarHBondContact O-N 3.38Å
273Q78Confident76.4Confident110 Ų110107.3 Ų107.351%0.51452%0.521SS..Hα-helixtrans-65-42.1173179.5177.4-10.200111.1L269 D271 R276 E277L269-Q273 VanDerWaalsContact O-CB 3.3Å; L269-Q273 WeakPolarHBondContact O-CB 3.33Å; L269-Q273 PolarHBondContact O-N 3.37Å; D271-Q273 VanDerWaalsContact C-N 3.28Å; D271-Q273 PolarHBondContact O-N 3.4Å; Q273-R276 PolarHBondContact O-N 3.34Å; Q273-E277 HydrophobicContact CG-CG 4.41Å; Q273-E277 PolarHBondContact NE2-OE1 3.43Å; Q273-E277 WeakPolarHBondContact O-CB 3.33Å; Q273-E277 WeakPolarHBondContact O-CG 3.49Å; Q273-E277 PolarHBondContact O-N 3.43Å
274R79Confident74.5Confident156 Ų156108.4 Ų108.459%0.58953%0.528SS*.Hα-helixtrans-62.9-45178.6-166.3-167.7-49.4-74.2-4.9111.7Q270 D271 E277 M278Q270-R274 WeakPolarHBondContact O-CB 3.49Å; Q270-R274 PolarHBondContact O-N 2.96Å; D271-R274 WeakPolarHBondContact O-CA 3.28Å; D271-R274 WeakPolarHBondContact O-CB 3.33Å; D271-R274 PolarHBondContact O-N 2.98Å; D271-R274 IonicContact OD1-CZ 3.58Å; D271-R274 IonicContact OD1-NE 3.67Å; D271-R274 PolarHBondContact OD1-NE 3.25Å; D271-R274 VanDerWaalsContact OD1-NE 3.14Å; D271-R274 IonicContact OD1-NH2 3.6Å; D271-R274 PolarHBondContact OD1-NH2 3.5Å; D271-R274 VanDerWaalsContact OD1-NH2 3.13Å; R274-E277 PolarHBondContact O-N 3.38Å; R274-M278 WeakPolarHBondContact O-CB 3.48Å; R274-M278 PolarHBondContact O-N 2.94Å
275E75Confident72.7Confident138 Ų138107.7 Ų107.765%0.64553%0.529SS*.Hα-helixtrans-65-40.4174.8-69.5-164.2169.500111.7D271 M278 T279D271-E275 PolarHBondContact O-N 3.17Å; E275-M278 PolarHBondContact O-N 3.17Å; E275-T279 WeakPolarHBondContact O-CB 3.37Å; E275-T279 WeakPolarHBondContact O-CG2 3.5Å; E275-T279 PolarHBondContact O-N 3.48Å; E275-T279 PolarHBondContact O-OG1 3.38Å
276R68Low71.3Confident173 Ų173108.1 Ų108.165%0.65353%0.534SS*.Hα-helixtrans-64.2-40.4175-169.1177.4-58.31687.3112.3D272 Q273 T279 S280D272-R276 WeakPolarHBondContact O-CB 3.44Å; D272-R276 PolarHBondContact O-N 3.38Å; Q273-R276 PolarHBondContact O-N 3.34Å; R276-T279 WeakPolarHBondContact CA-OG1 3.31Å; R276-T279 PolarHBondContact O-N 3.32Å; R276-T279 PolarHBondContact O-OG1 2.69Å; R276-S280 WeakPolarHBondContact O-CB 3.42Å; R276-S280 PolarHBondContact O-N 3.02Å; R276-S280 PolarHBondContact O-OG 3.14Å
277E62.4Low70.4Confident79 Ų79108.3 Ų108.337%0.36954%0.539SS..Hα-helixtrans-65.6-41.7174.4-76.4-172.8-16000111.6Q273 R274 T279 S280 K283Q273-E277 HydrophobicContact CG-CG 4.41Å; Q273-E277 PolarHBondContact NE2-OE1 3.43Å; Q273-E277 WeakPolarHBondContact O-CB 3.33Å; Q273-E277 WeakPolarHBondContact O-CG 3.49Å; Q273-E277 PolarHBondContact O-N 3.43Å; R274-E277 PolarHBondContact O-N 3.38Å; E277-T279 VanDerWaalsContact C-N 3.3Å; E277-T279 PolarHBondContact O-N 3.04Å; E277-S280 PolarHBondContact O-N 2.98Å; E277-S280 PolarHBondContact O-OG 3.38Å; E277-K283 IonicContact OE1-NZ 3.49Å; E277-K283 IonicContact OE2-NZ 3.14Å; E277-K283 PolarHBondContact OE2-NZ 3.18Å
278M55Low69.6Low173 Ų173107.4 Ų107.485%0.85254%0.541SS*.Hα-helixtrans-69.6-24.1178.8-162.8169.8-169.700113.5R274 E275R274-M278 WeakPolarHBondContact O-CB 3.48Å; R274-M278 PolarHBondContact O-N 2.94Å; E275-M278 PolarHBondContact O-N 3.17Å
279T56.7Low68.9Low114 Ų114109.4 Ų109.470%0.69954%0.543SS*.Hα-helixtrans-99.2-11.3175.452.50000113.9E275 R276 E277E275-T279 WeakPolarHBondContact O-CB 3.37Å; E275-T279 WeakPolarHBondContact O-CG2 3.5Å; E275-T279 PolarHBondContact O-N 3.48Å; E275-T279 PolarHBondContact O-OG1 3.38Å; R276-T279 WeakPolarHBondContact CA-OG1 3.31Å; R276-T279 PolarHBondContact O-N 3.32Å; R276-T279 PolarHBondContact O-OG1 2.69Å; E277-T279 VanDerWaalsContact C-N 3.3Å; E277-T279 PolarHBondContact O-N 3.04Å
280S49.3Very low68.5Low43 Ų43109.7 Ų109.730%0.30154%0.543SS..  trans-78.5127.8177.673.40000111.9R276 E277 C282R276-S280 WeakPolarHBondContact O-CB 3.42Å; R276-S280 PolarHBondContact O-N 3.02Å; R276-S280 PolarHBondContact O-OG 3.14Å; E277-S280 PolarHBondContact O-N 2.98Å; E277-S280 PolarHBondContact O-OG 3.38Å; S280-C282 PolarHBondContact O-N 3.34Å; S280-C282 VanDerWaalsContact O-N 3.08Å
281P53.6Low68.7Low96 Ų96111 Ų11162%0.62355%0.548SS*.SBendtrans-65.7-9.9173.8-23.134.6000114.5K283 Q284 C285P281-K283 PolarHBondContact O-N 3.49Å; P281-Q284 PolarHBondContact O-N 2.97Å; P281-C285 PolarHBondContact O-N 3.12Å; P281-C285 PolarHBondContact O-SG 2.94Å
282C56.7Low68.8Low79 Ų79113.7 Ų113.753%0.53456%0.556SS.*Hα-helixtrans-60.1-51.7-163.1-154.80000113S280 Q284 C285 D286S280-C282 PolarHBondContact O-N 3.34Å; S280-C282 VanDerWaalsContact O-N 3.08Å; C282-Q284 VanDerWaalsContact C-N 3.28Å; C282-Q284 PolarHBondContact O-N 3.01Å; C282-C285 PolarHBondContact O-N 3.32Å; C282-D286 PolarHBondContact O-N 3.1Å
283K52.6Low69Low124 Ų124112.5 Ų112.554%0.53955%0.551SS.*Hα-helixtrans-68.1-26.2-178.9-65.6-177.1177.9-178.90113.1E277 P281E277-K283 IonicContact OE1-NZ 3.49Å; E277-K283 IonicContact OE2-NZ 3.14Å; E277-K283 PolarHBondContact OE2-NZ 3.18Å; P281-K283 PolarHBondContact O-N 3.49Å
284Q54.1Low69.5Low116 Ų116108.9 Ų108.954%0.54254%0.543SS..Hα-helixtrans-73-41.9173.7-172.571.721.100110.8P281 C282 D286 V287 E288P281-Q284 PolarHBondContact O-N 2.97Å; C282-Q284 VanDerWaalsContact C-N 3.28Å; C282-Q284 PolarHBondContact O-N 3.01Å; Q284-D286 PolarHBondContact O-N 3.17Å; Q284-V287 PolarHBondContact O-N 3.38Å; Q284-E288 PolarHBondContact NE2-OE1 2.92Å; Q284-E288 WeakPolarHBondContact O-CB 3.45Å; Q284-E288 WeakPolarHBondContact O-CG 3.49Å; Q284-E288 PolarHBondContact O-N 3.48Å
285C58.4Low70.2Confident70 Ų70105.4 Ų105.447%0.47354%0.536SS..Hα-helixtrans-61.1-40.7178.7-68.60000112.9P281 C282 W289P281-C285 PolarHBondContact O-N 3.12Å; P281-C285 PolarHBondContact O-SG 2.94Å; C282-C285 PolarHBondContact O-N 3.32Å; C285-W289 VanDerWaalsContact O-CB 3.24Å; C285-W289 WeakPolarHBondContact O-CB 3.2Å; C285-W289 PolarHBondContact O-N 3.43Å
286D67.2Low71.1Confident95 Ų95104 Ų10451%0.50853%0.53SS..Hα-helixtrans-65.3-44.6-179.8-68.4-23.3000111.8C282 Q284 W289 I290C282-D286 PolarHBondContact O-N 3.1Å; Q284-D286 PolarHBondContact O-N 3.17Å; D286-W289 PolarHBondContact O-N 2.85Å; D286-I290 WeakPolarHBondContact O-CB 3.46Å; D286-I290 WeakPolarHBondContact O-CD1 3.07Å; D286-I290 WeakPolarHBondContact O-CG1 3.32Å; D286-I290 PolarHBondContact O-N 2.86Å
287V74.4Confident72.3Confident97 Ų97101.6 Ų101.659%0.58853%0.526SS*.Hα-helixtrans-67.5-40.6179.1178.20000111.5Q284 K291Q284-V287 PolarHBondContact O-N 3.38Å; V287-K291 WeakPolarHBondContact O-CB 3.34Å; V287-K291 PolarHBondContact O-N 3.49Å
288E77.6Confident73.9Confident112 Ų112102 Ų10252%0.52353%0.534SS..Hα-helixtrans-67.7-35.9175.9-72.8-178.7-172.500112.4Q284 K292Q284-E288 PolarHBondContact NE2-OE1 2.92Å; Q284-E288 WeakPolarHBondContact O-CB 3.45Å; Q284-E288 WeakPolarHBondContact O-CG 3.49Å; Q284-E288 PolarHBondContact O-N 3.48Å; E288-K292 VanDerWaalsContact O-CB 3.27Å; E288-K292 WeakPolarHBondContact O-CB 3.31Å; E288-K292 PolarHBondContact O-N 2.89Å
289W79.5Confident75.8Confident170 Ų17098.7 Ų98.764%0.64452%0.519SS*.Hα-helixtrans-67.9-47.9173.9-17788.4000111.9C285 D286 K291 K292 V293C285-W289 VanDerWaalsContact O-CB 3.24Å; C285-W289 WeakPolarHBondContact O-CB 3.2Å; C285-W289 PolarHBondContact O-N 3.43Å; D286-W289 PolarHBondContact O-N 2.85Å; W289-K291 VanDerWaalsContact C-N 3.31Å; W289-K291 PolarHBondContact O-N 3.01Å; W289-K292 PolarHBondContact O-N 2.97Å; W289-V293 HydrophobicContact CD2-CG2 3.93Å; W289-V293 HydrophobicContact CE3-CG2 4.3Å; W289-V293 HydrophobicContact CG-CG2 4.48Å; W289-V293 HydrophobicContact CH2-CG2 4.11Å; W289-V293 HydrophobicContact CZ2-CG2 3.72Å; W289-V293 HydrophobicContact CZ3-CG2 4.38Å; W289-V293 WeakPolarHBondContact O-CG2 3.33Å; W289-V293 PolarHBondContact O-N 2.82Å
290I83Confident77.7Confident109 Ų10997.2 Ų97.256%0.55951%0.507SS*.Hα-helixtrans-56.3-47.3175.8-71.4164.7000110.2D286 V293 G294D286-I290 WeakPolarHBondContact O-CB 3.46Å; D286-I290 WeakPolarHBondContact O-CD1 3.07Å; D286-I290 WeakPolarHBondContact O-CG1 3.32Å; D286-I290 PolarHBondContact O-N 2.86Å; I290-V293 PolarHBondContact O-N 3.33Å; I290-G294 PolarHBondContact O-N 2.82Å
291K89.5Confident79.8Confident138 Ų13897.7 Ų97.760%0.651%0.513SS*.Hα-helixtrans-60.1-48177.1-177.9179.1176.2-177.70111.5V287 W289 V293 G294 D295V287-K291 WeakPolarHBondContact O-CB 3.34Å; V287-K291 PolarHBondContact O-N 3.49Å; W289-K291 VanDerWaalsContact C-N 3.31Å; W289-K291 PolarHBondContact O-N 3.01Å; K291-V293 PolarHBondContact O-N 3.17Å; K291-G294 PolarHBondContact O-N 3.3Å; K291-D295 VanDerWaalsContact O-CG 3.32Å; K291-D295 PolarHBondContact O-N 3Å
292K91.3Very high81.9Confident126 Ų12697.5 Ų97.555%0.54851%0.507SS..Hα-helixtrans-62.7-42.6-179-176.4178.4174.6-1740112.5E288 W289 G294 D295 E296E288-K292 VanDerWaalsContact O-CB 3.27Å; E288-K292 WeakPolarHBondContact O-CB 3.31Å; E288-K292 PolarHBondContact O-N 2.89Å; W289-K292 PolarHBondContact O-N 2.97Å; K292-G294 VanDerWaalsContact C-N 3.34Å; K292-D295 PolarHBondContact O-N 3.4Å; K292-E296 WeakPolarHBondContact CE-OE1 3.39Å; K292-E296 WeakPolarHBondContact O-CB 3.37Å; K292-E296 WeakPolarHBondContact O-CG 3.23Å; K292-E296 PolarHBondContact O-N 3.28Å
293V87.6Confident83.7Confident45 Ų4596.1 Ų96.127%0.27350%0.501SS..Hα-helixtrans-66.2-38.5175.7174.10000110.8W289 I290 K291 E296 Q297W289-V293 HydrophobicContact CD2-CG2 3.93Å; W289-V293 HydrophobicContact CE3-CG2 4.3Å; W289-V293 HydrophobicContact CG-CG2 4.48Å; W289-V293 HydrophobicContact CH2-CG2 4.11Å; W289-V293 HydrophobicContact CZ2-CG2 3.72Å; W289-V293 HydrophobicContact CZ3-CG2 4.38Å; W289-V293 WeakPolarHBondContact O-CG2 3.33Å; W289-V293 PolarHBondContact O-N 2.82Å; I290-V293 PolarHBondContact O-N 3.33Å; K291-V293 PolarHBondContact O-N 3.17Å; V293-E296 PolarHBondContact O-N 3.46Å; V293-Q297 VanDerWaalsContact O-CG 3.3Å; V293-Q297 WeakPolarHBondContact O-CG 3.14Å; V293-Q297 PolarHBondContact O-N 2.89Å
294G88.9Confident85.6Confident33 Ų3397.2 Ų97.234%0.3450%0.503SS..Hα-helixtrans-60.3-48.3171.800000112.8I290 K291 K292 E296 Q297 V298I290-G294 PolarHBondContact O-N 2.82Å; K291-G294 PolarHBondContact O-N 3.3Å; K292-G294 VanDerWaalsContact C-N 3.34Å; G294-E296 VanDerWaalsContact C-N 3.32Å; G294-E296 PolarHBondContact O-N 3.49Å; G294-Q297 PolarHBondContact O-N 3.4Å; G294-V298 WeakPolarHBondContact O-CG2 3.47Å; G294-V298 PolarHBondContact O-N 3.36Å
295D93.3Very high87.6Confident84 Ų8495.1 Ų95.145%0.44950%0.498SS..Hα-helixtrans-60.3-40.8175.9-69.3-23.8000111K291 K292 V298 N299K291-D295 VanDerWaalsContact O-CG 3.32Å; K291-D295 PolarHBondContact O-N 3Å; K292-D295 PolarHBondContact O-N 3.4Å; D295-V298 PolarHBondContact O-N 2.81Å; D295-N299 WeakPolarHBondContact O-CB 3.42Å; D295-N299 VanDerWaalsContact O-CG 3.31Å; D295-N299 PolarHBondContact O-N 3.43Å; D295-N299 PolarHBondContact O-ND2 3.2Å
296E94.4Very high89.5Confident108 Ų10898.3 Ų98.351%0.50551%0.506SS..Hα-helixtrans-65.2-39.7175.7-75.8173.5-170.300112.6K292 V293 G294 N299 L300K292-E296 WeakPolarHBondContact CE-OE1 3.39Å; K292-E296 WeakPolarHBondContact O-CB 3.37Å; K292-E296 WeakPolarHBondContact O-CG 3.23Å; K292-E296 PolarHBondContact O-N 3.28Å; V293-E296 PolarHBondContact O-N 3.46Å; G294-E296 VanDerWaalsContact C-N 3.32Å; G294-E296 PolarHBondContact O-N 3.49Å; E296-N299 PolarHBondContact O-N 3.47Å; E296-L300 WeakPolarHBondContact O-CB 3.25Å; E296-L300 PolarHBondContact O-N 3.36Å
297Q93.8Very high90.9Very high122 Ų12298.7 Ų98.757%0.5751%0.507SS*.Hα-helixtrans-65.8-41.4174.8-70.8-67.1-17.600112.4V293 G294 L300 A301V293-Q297 VanDerWaalsContact O-CG 3.3Å; V293-Q297 WeakPolarHBondContact O-CG 3.14Å; V293-Q297 PolarHBondContact O-N 2.89Å; G294-Q297 PolarHBondContact O-N 3.4Å; Q297-L300 PolarHBondContact O-N 3.01Å; Q297-A301 PolarHBondContact O-N 3.17Å
298V95.9Very high91.9Very high88 Ų8898.7 Ų98.753%0.53351%0.508SS..Hα-helixtrans-63.9-44.8175.6172.50000111G294 D295 L300 A301 L302G294-V298 WeakPolarHBondContact O-CG2 3.47Å; G294-V298 PolarHBondContact O-N 3.36Å; D295-V298 PolarHBondContact O-N 2.81Å; V298-L300 VanDerWaalsContact C-N 3.31Å; V298-L300 PolarHBondContact O-N 2.97Å; V298-A301 PolarHBondContact O-N 3.36Å; V298-L302 HydrophobicContact CG1-CD1 4.23Å; V298-L302 WeakPolarHBondContact O-CG 3.31Å; V298-L302 PolarHBondContact O-N 3.05Å
299N94.9Very high92.8Very high104 Ų10499.8 Ų99.856%0.55651%0.513SS*.Hα-helixtrans-61.6-38.5176.1-74.9-53.7000112.2D295 E296 L302 A303D295-N299 WeakPolarHBondContact O-CB 3.42Å; D295-N299 VanDerWaalsContact O-CG 3.31Å; D295-N299 PolarHBondContact O-N 3.43Å; D295-N299 PolarHBondContact O-ND2 3.2Å; E296-N299 PolarHBondContact O-N 3.47Å; N299-L302 PolarHBondContact O-N 3Å; N299-A303 WeakPolarHBondContact O-CB 3.42Å; N299-A303 PolarHBondContact O-N 2.72Å
300L95.6Very high93.6Very high82 Ų8296.2 Ų96.243%0.42950%0.503SS..Hα-helixtrans-65.1-43.1175.8-176.760.4000111.8E296 Q297 V298 A303 Y304E296-L300 WeakPolarHBondContact O-CB 3.25Å; E296-L300 PolarHBondContact O-N 3.36Å; Q297-L300 PolarHBondContact O-N 3.01Å; V298-L300 VanDerWaalsContact C-N 3.31Å; V298-L300 PolarHBondContact O-N 2.97Å; L300-A303 PolarHBondContact O-N 2.82Å; L300-Y304 HydrophobicContact CD1-CD2 3.98Å; L300-Y304 HydrophobicContact CD1-CE2 3.59Å; L300-Y304 HydrophobicContact CD2-CE2 4.26Å; L300-Y304 HydrophobicContact CG-CD2 3.93Å; L300-Y304 HydrophobicContact CG-CE2 3.72Å; L300-Y304 VanDerWaalsContact O-CD2 3.25Å; L300-Y304 WeakPolarHBondContact O-CD2 3.38Å; L300-Y304 PolarHBondContact O-N 3.45Å
301A93.7Very high94.3Very high54 Ų5494.1 Ų94.145%0.44650%0.495SS..Hα-helixtrans-63.3-39.617600000112.6Q297 V298 Y304 T305Q297-A301 PolarHBondContact O-N 3.17Å; V298-A301 PolarHBondContact O-N 3.36Å; A301-Y304 PolarHBondContact O-N 2.94Å; A301-T305 PolarHBondContact O-N 2.79Å; A301-T305 PolarHBondContact O-OG1 3.43Å
302L96.6Very high94.5Very high92 Ų9289.1 Ų89.148%0.48248%0.483SS..Hα-helixtrans-62.6-47.1173.2-70.5172.1000111.4V298 N299 Y304 T305 E306V298-L302 HydrophobicContact CG1-CD1 4.23Å; V298-L302 WeakPolarHBondContact O-CG 3.31Å; V298-L302 PolarHBondContact O-N 3.05Å; N299-L302 PolarHBondContact O-N 3Å; L302-Y304 VanDerWaalsContact C-N 3.34Å; L302-Y304 PolarHBondContact O-N 3.42Å; L302-T305 WeakPolarHBondContact O-CA 3.5Å; L302-T305 WeakPolarHBondContact O-CB 3.37Å; L302-T305 PolarHBondContact O-N 3.15Å; L302-E306 PolarHBondContact O-N 2.84Å
303A95.1Very high94.8Very high50 Ų5091.1 Ų91.141%0.41349%0.487SS..Hα-helixtrans-61.3-38.6177.600000113N299 L300 T305 L307N299-A303 WeakPolarHBondContact O-CB 3.42Å; N299-A303 PolarHBondContact O-N 2.72Å; L300-A303 PolarHBondContact O-N 2.82Å; A303-T305 VanDerWaalsContact C-N 3.33Å; A303-L307 VanDerWaalsContact O-CB 3.31Å; A303-L307 WeakPolarHBondContact O-CB 3.24Å; A303-L307 PolarHBondContact O-N 2.88Å
304Y93.8Very high95.3Very high146 Ų14693.3 Ų93.357%0.57350%0.497SS*.Hα-helixtrans-65.5-34.8172.1-84.5-63.4000112.7L300 A301 L302 T308L300-Y304 HydrophobicContact CD1-CD2 3.98Å; L300-Y304 HydrophobicContact CD1-CE2 3.59Å; L300-Y304 HydrophobicContact CD2-CE2 4.26Å; L300-Y304 HydrophobicContact CG-CD2 3.93Å; L300-Y304 HydrophobicContact CG-CE2 3.72Å; L300-Y304 VanDerWaalsContact O-CD2 3.25Å; L300-Y304 WeakPolarHBondContact O-CD2 3.38Å; L300-Y304 PolarHBondContact O-N 3.45Å; A301-Y304 PolarHBondContact O-N 2.94Å; L302-Y304 VanDerWaalsContact C-N 3.34Å; L302-Y304 PolarHBondContact O-N 3.42Å; Y304-T308 WeakPolarHBondContact O-CB 3.43Å; Y304-T308 PolarHBondContact O-N 3.44Å; Y304-T308 PolarHBondContact O-OG1 2.93Å
305T96.1Very high95.6Very high72 Ų7297.8 Ų97.844%0.44251%0.509SS..Hα-helixtrans-67.5-50.5176.6-53.80000110.5A301 L302 A303 L307 T308 E309A301-T305 PolarHBondContact O-N 2.79Å; A301-T305 PolarHBondContact O-OG1 3.43Å; L302-T305 WeakPolarHBondContact O-CA 3.5Å; L302-T305 WeakPolarHBondContact O-CB 3.37Å; L302-T305 PolarHBondContact O-N 3.15Å; A303-T305 VanDerWaalsContact C-N 3.33Å; T305-L307 VanDerWaalsContact C-N 3.33Å; T305-L307 PolarHBondContact O-N 2.97Å; T305-T308 WeakPolarHBondContact O-CB 3.22Å; T305-T308 PolarHBondContact O-N 3.45Å; T305-T308 VanDerWaalsContact O-N 3.08Å; T305-E309 PolarHBondContact O-N 3.36Å
306E96.8Very high95.7Very high137 Ų13796.2 Ų96.264%0.6451%0.507SS*.Hα-helixtrans-56.8-44.3175.6-70179.5-177.100112.1L302 T308 E309 E310L302-E306 PolarHBondContact O-N 2.84Å; E306-T308 VanDerWaalsContact C-N 3.33Å; E306-T308 PolarHBondContact O-N 3.43Å; E306-E309 PolarHBondContact O-N 2.9Å; E306-E310 PolarHBondContact O-N 2.82Å
307L97.1Very high95.8Very high103 Ų10395.9 Ų95.954%0.53951%0.509SS..Hα-helixtrans-62.2-40.217618061.7000112A303 T305 E310 V311A303-L307 VanDerWaalsContact O-CB 3.31Å; A303-L307 WeakPolarHBondContact O-CB 3.24Å; A303-L307 PolarHBondContact O-N 2.88Å; T305-L307 VanDerWaalsContact C-N 3.33Å; T305-L307 PolarHBondContact O-N 2.97Å; L307-E310 PolarHBondContact O-N 3.06Å; L307-V311 HydrophobicContact CD1-CG2 4.44Å; L307-V311 WeakPolarHBondContact O-CB 3.5Å; L307-V311 VanDerWaalsContact O-CG2 3.28Å; L307-V311 WeakPolarHBondContact O-CG2 3.37Å; L307-V311 PolarHBondContact O-N 3.37Å
308T95.5Very high95.9Very high98 Ų9893.5 Ų93.560%0.60151%0.505SS*.Hα-helixtrans-66.5-41.5178.3-58.80000111.3Y304 T305 E306 G312Y304-T308 WeakPolarHBondContact O-CB 3.43Å; Y304-T308 PolarHBondContact O-N 3.44Å; Y304-T308 PolarHBondContact O-OG1 2.93Å; T305-T308 WeakPolarHBondContact O-CB 3.22Å; T305-T308 PolarHBondContact O-N 3.45Å; T305-T308 VanDerWaalsContact O-N 3.08Å; E306-T308 VanDerWaalsContact C-N 3.33Å; E306-T308 PolarHBondContact O-N 3.43Å; T308-G312 PolarHBondContact O-N 3.44Å
309E97Very high95.8Very high134 Ų13493 Ų9363%0.62651%0.505SS*.Hα-helixtrans-63.1-44.8174.8-71.2-173-177.100112.1T305 E306 G312 R313T305-E309 PolarHBondContact O-N 3.36Å; E306-E309 PolarHBondContact O-N 2.9Å; E309-G312 CarbonylContact O-C 3.59Å; E309-G312 WeakPolarHBondContact O-CA 3.47Å; E309-G312 PolarHBondContact O-N 2.83Å; E309-G312 VanDerWaalsContact O-N 3.12Å; E309-R313 WeakPolarHBondContact O-CG 3.34Å; E309-R313 PolarHBondContact O-N 3.05Å
310E96.9Very high95.8Very high95 Ų9594.6 Ų94.644%0.44451%0.507SS..Hα-helixtrans-68.5-37.3179.6-169.657.5-152.900112E306 L307 G312 R313 L314E306-E310 PolarHBondContact O-N 2.82Å; L307-E310 PolarHBondContact O-N 3.06Å; E310-G312 VanDerWaalsContact C-N 3.29Å; E310-G312 PolarHBondContact O-N 2.92Å; E310-R313 PolarHBondContact O-N 2.96Å; E310-R313 WeakPolarHBondContact OE2-CD 3.2Å; E310-L314 WeakPolarHBondContact O-CB 3.43Å; E310-L314 WeakPolarHBondContact O-CG 3.38Å; E310-L314 PolarHBondContact O-N 3.42Å
311V95.9Very high95.8Very high65 Ų6596.5 Ų96.539%0.39451%0.514SS..Hα-helixtrans-59.2-41.5168.9168.60000110.9L307 L314 Q315L307-V311 HydrophobicContact CD1-CG2 4.44Å; L307-V311 WeakPolarHBondContact O-CB 3.5Å; L307-V311 VanDerWaalsContact O-CG2 3.28Å; L307-V311 WeakPolarHBondContact O-CG2 3.37Å; L307-V311 PolarHBondContact O-N 3.37Å; V311-L314 PolarHBondContact O-N 3.34Å; V311-Q315 WeakPolarHBondContact O-CG 3.4Å; V311-Q315 PolarHBondContact O-N 2.99Å
312G95.2Very high95.8Very high33 Ų3398.3 Ų98.334%0.3452%0.519SS..Hα-helixtrans-61.4-42.4173.100000113.2T308 E309 E310 Q315 A316T308-G312 PolarHBondContact O-N 3.44Å; E309-G312 CarbonylContact O-C 3.59Å; E309-G312 WeakPolarHBondContact O-CA 3.47Å; E309-G312 PolarHBondContact O-N 2.83Å; E309-G312 VanDerWaalsContact O-N 3.12Å; E310-G312 VanDerWaalsContact C-N 3.29Å; E310-G312 PolarHBondContact O-N 2.92Å; G312-Q315 PolarHBondContact O-N 2.88Å; G312-A316 WeakPolarHBondContact O-CB 3.4Å; G312-A316 PolarHBondContact O-N 3.09Å
313R96.9Very high95.6Very high168 Ų16897 Ų9763%0.63451%0.511SS*.Hα-helixtrans-62.9-44.3174.4-67.6-173.976.790-2.2111.8E309 E310 A316 L317E309-R313 WeakPolarHBondContact O-CG 3.34Å; E309-R313 PolarHBondContact O-N 3.05Å; E310-R313 PolarHBondContact O-N 2.96Å; E310-R313 WeakPolarHBondContact OE2-CD 3.2Å; R313-A316 PolarHBondContact O-N 3.3Å; R313-L317 WeakPolarHBondContact O-CG 3.44Å; R313-L317 PolarHBondContact O-N 2.72Å
314L97.5Very high95.5Very high92 Ų92100.1 Ų100.148%0.48252%0.519SS..Hα-helixtrans-62-44.1176.6-72.2170.8000111.6E310 V311 A316 L317 C318E310-L314 WeakPolarHBondContact O-CB 3.43Å; E310-L314 WeakPolarHBondContact O-CG 3.38Å; E310-L314 PolarHBondContact O-N 3.42Å; V311-L314 PolarHBondContact O-N 3.34Å; L314-A316 VanDerWaalsContact C-N 3.34Å; L314-A316 PolarHBondContact O-N 3.33Å; L314-L317 PolarHBondContact O-N 2.86Å; L314-C318 WeakPolarHBondContact O-CB 3.42Å; L314-C318 PolarHBondContact O-N 3.26Å; L314-C318 PolarHBondContact O-SG 3.27Å; L314-C318 VanDerWaalsContact O-SG 3.36Å
315Q96.1Very high95.4Very high127 Ų12798.3 Ų98.359%0.59352%0.519SS*.Hα-helixtrans-60.7-40.9174.4-73.4176.11.900112.3V311 G312 C318 S319V311-Q315 WeakPolarHBondContact O-CG 3.4Å; V311-Q315 PolarHBondContact O-N 2.99Å; G312-Q315 PolarHBondContact O-N 2.88Å; Q315-C318 PolarHBondContact O-N 3.18Å; Q315-S319 WeakPolarHBondContact O-CB 3.42Å; Q315-S319 PolarHBondContact O-N 3.42Å; Q315-S319 PolarHBondContact O-OG 2.89Å
316A95.7Very high95.2Very high50 Ų5099.9 Ų99.941%0.41352%0.517SS..Hα-helixtrans-67-36.8175.900000112.7G312 R313 L314 K320G312-A316 WeakPolarHBondContact O-CB 3.4Å; G312-A316 PolarHBondContact O-N 3.09Å; R313-A316 PolarHBondContact O-N 3.3Å; L314-A316 VanDerWaalsContact C-N 3.34Å; L314-A316 PolarHBondContact O-N 3.33Å; A316-K320 WeakPolarHBondContact O-CG 3.43Å; A316-K320 PolarHBondContact O-N 3.28Å
317L96.3Very high94.7Very high102 Ų10299.1 Ų99.153%0.53451%0.512SS..Hα-helixtrans-67.2-46.9173.3-73.3172000111.7R313 L314 S319 K320 Q321R313-L317 WeakPolarHBondContact O-CG 3.44Å; R313-L317 PolarHBondContact O-N 2.72Å; L314-L317 PolarHBondContact O-N 2.86Å; L317-S319 VanDerWaalsContact C-N 3.29Å; L317-S319 PolarHBondContact O-N 3.11Å; L317-K320 PolarHBondContact O-N 2.75Å; L317-Q321 PolarHBondContact O-N 3.47Å
318C95.1Very high93.9Very high71 Ų7197.9 Ų97.948%0.4852%0.516SS..Hα-helixtrans-58.9-39.9174.5-730000112.2L314 Q315 Q321 T322L314-C318 WeakPolarHBondContact O-CB 3.42Å; L314-C318 PolarHBondContact O-N 3.26Å; L314-C318 PolarHBondContact O-SG 3.27Å; L314-C318 VanDerWaalsContact O-SG 3.36Å; Q315-C318 PolarHBondContact O-N 3.18Å; C318-Q321 PolarHBondContact O-N 2.77Å; C318-T322 WeakPolarHBondContact O-CB 3.45Å; C318-T322 PolarHBondContact O-N 2.86Å; C318-T322 PolarHBondContact O-OG1 3.3Å
319S94Very high93Very high77 Ų7797.4 Ų97.454%0.53852%0.522SS..Hα-helixtrans-63.7-43.7175.4-60.20000111.7Q315 L317 T322 E323Q315-S319 WeakPolarHBondContact O-CB 3.42Å; Q315-S319 PolarHBondContact O-N 3.42Å; Q315-S319 PolarHBondContact O-OG 2.89Å; L317-S319 VanDerWaalsContact C-N 3.29Å; L317-S319 PolarHBondContact O-N 3.11Å; S319-T322 PolarHBondContact O-N 3.1Å; S319-E323 WeakPolarHBondContact O-CB 3.34Å; S319-E323 PolarHBondContact O-N 2.98Å
320K96.1Very high91.5Very high139 Ų13996.9 Ų96.960%0.60452%0.52SS*.Hα-helixtrans-63.7-41.1173.8-74174-179.4178.50112.3A316 L317 E323 I324A316-K320 WeakPolarHBondContact O-CG 3.43Å; A316-K320 PolarHBondContact O-N 3.28Å; L317-K320 PolarHBondContact O-N 2.75Å; K320-E323 PolarHBondContact O-N 2.86Å; K320-I324 VanDerWaalsContact O-CG1 3.28Å; K320-I324 WeakPolarHBondContact O-CG1 3.41Å; K320-I324 PolarHBondContact O-N 2.9Å
321Q94.8Very high89.2Confident121 Ų121100.7 Ų100.757%0.56554%0.537SS*.Hα-helixtrans-63.3-45.4176.9-176.7176.8-8.300111.3L317 C318 E323 I324 L325L317-Q321 PolarHBondContact O-N 3.47Å; C318-Q321 PolarHBondContact O-N 2.77Å; Q321-E323 VanDerWaalsContact C-N 3.33Å; Q321-E323 PolarHBondContact O-N 2.92Å; Q321-I324 PolarHBondContact O-N 3.37Å; Q321-L325 HydrophobicContact CG-CD1 4.25Å; Q321-L325 WeakPolarHBondContact O-CG 3.3Å; Q321-L325 PolarHBondContact O-N 3.09Å
322T92.7Very high87.1Confident93 Ų93103 Ų10357%0.57155%0.554SS**Hα-helixtrans-59.3-43.1174.4-54.80000111.5C318 S319 L325 R326C318-T322 WeakPolarHBondContact O-CB 3.45Å; C318-T322 PolarHBondContact O-N 2.86Å; C318-T322 PolarHBondContact O-OG1 3.3Å; S319-T322 PolarHBondContact O-N 3.1Å; T322-L325 PolarHBondContact O-N 3.47Å; T322-R326 WeakPolarHBondContact O-CB 3.39Å; T322-R326 PolarHBondContact O-N 3.29Å
323E93.4Very high85.2Confident64 Ų64106.2 Ų106.230%0.29958%0.577SS.*Hα-helixtrans-66.9-36.2177.5174.858.4-16800113.1S319 K320 Q321 R326 K327S319-E323 WeakPolarHBondContact O-CB 3.34Å; S319-E323 PolarHBondContact O-N 2.98Å; K320-E323 PolarHBondContact O-N 2.86Å; Q321-E323 VanDerWaalsContact C-N 3.33Å; Q321-E323 PolarHBondContact O-N 2.92Å; E323-R326 VanDerWaalsContact CD-NH2 3.28Å; E323-R326 IonicContact OE1-CZ 3.35Å; E323-R326 IonicContact OE1-NH2 2.81Å; E323-R326 PolarHBondContact OE1-NH2 3.43Å; E323-R326 IonicContact OE2-CZ 2.71Å; E323-R326 VanDerWaalsContact OE2-CZ 3.28Å; E323-R326 IonicContact OE2-NE 2.65Å; E323-R326 PolarHBondContact OE2-NE 3.01Å; E323-R326 IonicContact OE2-NH2 3.77Å; E323-R326 PolarHBondContact OE2-NH2 3.18Å; E323-K327 HydrophobicContact CG-CD 4.45Å; E323-K327 WeakPolarHBondContact O-CB 3.43Å; E323-K327 WeakPolarHBondContact O-CG 3.47Å; E323-K327 PolarHBondContact O-N 3.23Å; E323-K327 WeakPolarHBondContact OE1-CE 3.32Å; E323-K327 IonicContact OE1-NZ 3.19Å; E323-K327 PolarHBondContact OE1-NZ 2.76Å
324I93.4Very high82.4Confident115 Ų115103.6 Ų103.659%0.5959%0.585SS**Hα-helixtrans-65.3-46.6172.6-70.5163.5000110.4K320 Q321 R326 K327 A328K320-I324 VanDerWaalsContact O-CG1 3.28Å; K320-I324 WeakPolarHBondContact O-CG1 3.41Å; K320-I324 PolarHBondContact O-N 2.9Å; Q321-I324 PolarHBondContact O-N 3.37Å; I324-R326 VanDerWaalsContact C-N 3.33Å; I324-R326 PolarHBondContact O-N 2.89Å; I324-K327 PolarHBondContact O-N 3.33Å; I324-A328 WeakPolarHBondContact O-CB 3.49Å; I324-A328 PolarHBondContact O-N 3.09Å
325L91.5Very high80.1Confident109 Ų109104.5 Ų104.557%0.57160%0.596SS**Hα-helixtrans-61.7-41.4177.1-70.1169.8000111.6Q321 T322 K327 A328 A329Q321-L325 HydrophobicContact CG-CD1 4.25Å; Q321-L325 WeakPolarHBondContact O-CG 3.3Å; Q321-L325 PolarHBondContact O-N 3.09Å; T322-L325 PolarHBondContact O-N 3.47Å; L325-K327 VanDerWaalsContact C-N 3.35Å; L325-K327 PolarHBondContact O-N 2.98Å; L325-A328 PolarHBondContact O-N 3Å; L325-A329 WeakPolarHBondContact O-CB 3.39Å; L325-A329 PolarHBondContact O-N 3.4Å
326R90.9Very high77.5Confident104 Ų104104.5 Ų104.539%0.39260%0.604SS.*Hα-helixtrans-62.1-39.7175.3-167.8-168.567.770.73.8112.2T322 E323 I324 Q330T322-R326 WeakPolarHBondContact O-CB 3.39Å; T322-R326 PolarHBondContact O-N 3.29Å; E323-R326 VanDerWaalsContact CD-NH2 3.28Å; E323-R326 IonicContact OE1-CZ 3.35Å; E323-R326 IonicContact OE1-NH2 2.81Å; E323-R326 PolarHBondContact OE1-NH2 3.43Å; E323-R326 IonicContact OE2-CZ 2.71Å; E323-R326 VanDerWaalsContact OE2-CZ 3.28Å; E323-R326 IonicContact OE2-NE 2.65Å; E323-R326 PolarHBondContact OE2-NE 3.01Å; E323-R326 IonicContact OE2-NH2 3.77Å; E323-R326 PolarHBondContact OE2-NH2 3.18Å; I324-R326 VanDerWaalsContact C-N 3.33Å; I324-R326 PolarHBondContact O-N 2.89Å; R326-Q330 VanDerWaalsContact NH1-CD 3.25Å; R326-Q330 WeakPolarHBondContact O-CB 3.21Å; R326-Q330 WeakPolarHBondContact O-CG 3.08Å; R326-Q330 PolarHBondContact O-N 2.89Å
327K87.4Confident74.6Confident122 Ų122111.1 Ų111.153%0.5363%0.627SS.*Hα-helixtrans-69.4-43.2175.1-82.2169.1163.5140.30112.5E323 I324 L325 A329 Q330E323-K327 HydrophobicContact CG-CD 4.45Å; E323-K327 WeakPolarHBondContact O-CB 3.43Å; E323-K327 WeakPolarHBondContact O-CG 3.47Å; E323-K327 PolarHBondContact O-N 3.23Å; E323-K327 WeakPolarHBondContact OE1-CE 3.32Å; E323-K327 IonicContact OE1-NZ 3.19Å; E323-K327 PolarHBondContact OE1-NZ 2.76Å; I324-K327 PolarHBondContact O-N 3.33Å; L325-K327 VanDerWaalsContact C-N 3.35Å; L325-K327 PolarHBondContact O-N 2.98Å; K327-A329 PolarHBondContact O-N 3.07Å; K327-Q330 PolarHBondContact O-N 3.48Å
328A78.5Confident71.9Confident76 Ų76113 Ų11363%0.62864%0.637SS**Hα-helixtrans-62.1-32.8175.200000112.4I324 L325 Q330I324-A328 WeakPolarHBondContact O-CB 3.49Å; I324-A328 PolarHBondContact O-N 3.09Å; L325-A328 PolarHBondContact O-N 3Å; A328-Q330 VanDerWaalsContact C-N 3.3Å; A328-Q330 PolarHBondContact O-N 2.81Å
329A77Confident68.9Low88 Ų88118.1 Ų118.173%0.72765%0.653SS**THydrogen-bonded Turntrans-79-5.4173.400000114.6L325 K327L325-A329 WeakPolarHBondContact O-CB 3.39Å; L325-A329 PolarHBondContact O-N 3.4Å; K327-A329 PolarHBondContact O-N 3.07Å
330Q66.1Low66.1Low124 Ų124119.8 Ų119.858%0.57967%0.665SS**THydrogen-bonded Turntrans-110.76-177.5-83.6-170.8-8.400114.6R326 K327 A328 P332R326-Q330 VanDerWaalsContact NH1-CD 3.25Å; R326-Q330 WeakPolarHBondContact O-CB 3.21Å; R326-Q330 WeakPolarHBondContact O-CG 3.08Å; R326-Q330 PolarHBondContact O-N 2.89Å; K327-Q330 PolarHBondContact O-N 3.48Å; A328-Q330 VanDerWaalsContact C-N 3.3Å; A328-Q330 PolarHBondContact O-N 2.81Å; Q330-P332 WeakPolarHBondContact O-CD 3.48Å
331E48.3Very low63.8Low175 Ų175118.3 Ų118.382%0.81867%0.669SS**PPolyproline II helixtrans-61.7123.1169.5-98.8-147.3138.400110.2
332P52Low61.1Low113 Ų113119.7 Ų119.773%0.73468%0.679SS**PPolyproline II helixtrans-84.1135.1-165.431.3-34.8000112.5Q330Q330-P332 WeakPolarHBondContact O-CD 3.48Å
333A54.8Low58.2Low101 Ų101122.4 Ų122.484%0.83569%0.685SS**PPolyproline II helixtrans-60.1135.9158.400000110.8
334S39Very low55.4Low113 Ų113126.9 Ų126.979%0.7971%0.705SS**  trans-146.9152.6163.4-103.20000110
335P49.2Very low52.8Low111 Ų111130.2 Ų130.272%0.72172%0.718SS**  -111.2148.4-124.94.416.8000114.9
336V40.9Very low49.9Very low126 Ų126136.5 Ų136.576%0.76474%0.735SS**  trans46.6104.6142.2-172.90000116.8
337Q35.1Very low47.2Very low190 Ų190140 Ų14089%0.88876%0.755SS**  -151.8137.8119.5-113.3163.616.600113.4
338L39.9Very low44.6Very low142 Ų142139.7 Ų139.774%0.74377%0.768SS**  trans-51.9139.4-178.8-62.7141.3000112.3
339H30.8Very low43Very low177 Ų177142 Ų14282%0.81978%0.776SS**  176.8127.6103.1-89.590000111.3
340S36.7Very low41Very low113 Ų113144.5 Ų144.579%0.7978%0.783SS**  trans-99.4146149.6-69.10000106.3
341P47Very low39.4Very low107 Ų107143.1 Ų143.170%0.69579%0.787SS**  -146153.968.836.1-16.6000117.5
342I38.4Very low38.6Very low151 Ų151141.5 Ų141.577%0.77478%0.779SS**  trans36.6123.9132-48.5167.4000117.4
343H32Very low37.5Very low149 Ų149144.1 Ų144.169%0.6978%0.775SS**  173.7159.4103.1-140.1-70.1000114.5
344H34.9Very low36.5Very low159 Ų159147.4 Ų147.474%0.73677%0.772SS**  trans54.6107.4156.439.9-122.3000123
345Q38.3Very low36.2Very low184 Ų184147.2 Ų147.286%0.8677%0.771SS**  trans-34.8124.3142.5172.8-165.680.600115.4
346R29.6Very low36.2Very low242 Ų242147 Ų14791%0.91377%0.769SS**  trans-164.5148.6139.4-110.4-166.7-140.4-99.84.2112.2
347H35.9Very low35.7Very low177 Ų177148.8 Ų148.882%0.81977%0.773SS**  trans-82.5150.5176.3-63.9-98.1000113.1
348S32.9Very low36.1Very low115 Ų115144.8 Ų144.880%0.80477%0.766SS**  trans157163140.9-77.30000111.3
349P43.4Very low35.5Very low124 Ų124146.3 Ų146.381%0.80577%0.769SS**  cis-130.7177.5-19.432.1-12.5000114.1
350V36.5Very low35.4Very low141 Ų141147.5 Ų147.586%0.85577%0.767SS**  trans-98.4134.6166158.10000111.2
351S31Very low35.1Very low96 Ų96150.1 Ų150.167%0.67177%0.766SS**  trans166.2137.8159.1-910000107.9
352Q31.3Very low34.7Very low140 Ų140150.4 Ų150.465%0.65477%0.771SS**  cis-163.816418.8-100.5159.246.600105.6
353R30.6Very low34.8Very low169 Ų169148.7 Ų148.764%0.63877%0.769SS**  cis-171.8157.423.2-121.8163.9-153.4-869.2111.8
354H33Very low34.8Very low169 Ų169148 Ų14878%0.78278%0.776SS**  trans7092.5147.1-55152.7000123.2
355S32.5Very low35.1Very low110 Ų110145.8 Ų145.877%0.76978%0.775SS**  -1.6174.6120.5-35.90000121.6
356P48.9Very low35.3Very low106 Ų106141.4 Ų141.469%0.68876%0.763SS**  -145.9-169.7-51.442.7-23.9000115.5
357I31.3Very low35.3Very low163 Ų163137.5 Ų137.584%0.83675%0.754SS**  trans91.1136.6156.6-65.4164000120.2
358S42.3Very low35Very low106 Ų106136.5 Ų136.574%0.74175%0.75SS**  trans-87.5159.5-169.5-26.80000116.4
359Q28.4Very low35Very low175 Ų175135.8 Ų135.882%0.81875%0.745SS**  trans-149.6129.9144.7-74.7-150.235.900115.6
360R28.1Very low34.8Very low201 Ų201135.6 Ų135.676%0.75874%0.743SS**  trans39.8119.9142.5-59.4-165.2-168.5-94.86.7124.6
361H31.6Very low34.6Very low168 Ų168136.6 Ų136.678%0.77874%0.742SS**  58142.1120.5-55-61.3000124.7
362S38.6Very low34.8Very low113 Ų113140.2 Ų140.279%0.7975%0.749SS**  trans-67.4170.5-179.1-32.60000116
363P40.4Very low35.3Very low115 Ų115141.9 Ų141.975%0.74776%0.757SS**  -145.5164.293.539.7-25.8000115.9
364V31.6Very low35.3Very low136 Ų136144.6 Ų144.682%0.82477%0.767SS**  trans171.5125.3136.3162.60000110.3
365P40.3Very low35.5Very low111 Ų111147.7 Ų147.772%0.72177%0.772SS**  trans-123.7-173.8149.544.2-33.3000109.5
366P42.8Very low35.5Very low93 Ų93147.7 Ų147.760%0.60477%0.771SS**  cis-145.7173.54.547.7-30.4000118.2
367H30.3Very low35Very low159 Ų159148.2 Ų148.274%0.73678%0.775SS**  trans56164.2152.4-44.6-48.4000120.9
368H30Very low35.1Very low156 Ų156146.5 Ų146.572%0.72277%0.772SS**  cis-148.8136.513.1-105-61.3000113.8
369S31.8Very low34.7Very low100 Ų100149.2 Ų149.270%0.69978%0.777SS**  trans75.2155134.3-54.60000122.7
370P39.3Very low35.2Very low120 Ų120149.6 Ų149.678%0.77978%0.779SS**  cis-129150-4237.6-23.7000113.3
371I32.4Very low35.3Very low162 Ų162150.9 Ų150.983%0.83178%0.784SS**PPolyproline II helixtrans-89.1119.8171.4-66.9166.9000109.2
372Q34.6Very low35.4Very low172 Ų172151.2 Ų151.280%0.80479%0.79SS**PPolyproline II helixtrans-84.5121.4159.6-78.8-156.4-1200109.9R374Q372-R374 PolarHBondContact O-N 3.33Å
373Q42.6Very low35.1Very low176 Ų176151.3 Ų151.382%0.82279%0.791SS**PPolyproline II helixtrans-69122.4168.5-66.6-174.6-13.400109.8
374R31.3Very low35.1Very low225 Ų225151.7 Ų151.785%0.84979%0.793SS**  trans-111.7119.4150.4-79.9-166.7178.1-91.30.4109.4Q372Q372-R374 PolarHBondContact O-N 3.33Å
375R35.7Very low35.1Very low235 Ų235151.3 Ų151.389%0.88779%0.787SS**PPolyproline II helixtrans-68.3125.8161.8-69177170.7-165.9-3.4107.8
376S32.8Very low34.8Very low109 Ų109153.9 Ų153.976%0.76279%0.791SS**PPolyproline II helixtrans-90.4120.4164.5-56.60000108.9V378S376-V378 PolarHBondContact O-N 3.48Å
377P37.8Very low34.6Very low118 Ų118157.3 Ų157.377%0.76680%0.799SS**PPolyproline II helixtrans-72.1123.2165.4-10.126.8000108.8L379P377-L379 PolarHBondContact O-N 2.84Å
378V34.9Very low34.6Very low127 Ų127161.5 Ų161.577%0.7781%0.808SS**PPolyproline II helixtrans-71.6116.6167.1172.30000107.9S376 Q380S376-V378 PolarHBondContact O-N 3.48Å; V378-Q380 HydrophobicContact CG1-CG 4.47Å
379L32.3Very low34.7Very low162 Ų162165.2 Ų165.285%0.84882%0.816SS**  trans-112107.4163.5-78.3177.8000109.3P377 R381P377-L379 PolarHBondContact O-N 2.84Å; L379-R381 PolarHBondContact O-N 3.23Å
380Q40.3Very low34.7Very low183 Ų183166 Ų16686%0.85582%0.821SS**  trans-65.9118.3165.1-69.5163.7-29.100108.9V378V378-Q380 HydrophobicContact CG1-CG 4.47Å
381R30.8Very low34.9Very low229 Ų229166.4 Ų166.486%0.86482%0.824SS**  trans-136.1132.3152.5-92.6-168.3-175.8-129.84.8110.3L379L379-R381 PolarHBondContact O-N 3.23Å
382L32.5Very low34.8Very low175 Ų175166.9 Ų166.992%0.91683%0.827SS**PPolyproline II helixtrans-79.2133.8175.9-62.6157.2000108.7
383S31.5Very low34.8Very low115 Ų115166.5 Ų166.580%0.80483%0.83SS**PPolyproline II helixtrans-85.1139167.8-61.70000110.2
384P41.1Very low34.3Very low122 Ų122165.8 Ų165.879%0.79283%0.832SS**PPolyproline II helixtrans-72.9133.1167.9-12.929.1000110.8
385D31.5Very low34.4Very low129 Ų129160.7 Ų160.769%0.6983%0.825SS**PPolyproline II helixtrans-87.1136.8177.4-165.3-4.7000111H387D385-H387 IonicContact OD1-ND1 3.87Å
386M35.5Very low34.2Very low165 Ų165155.5 Ų155.581%0.81383%0.825SS**  trans-128.656.6-175.5-85.1-72.2103.800112.2
387H37.8Very low34.3Very low164 Ų164157.8 Ų157.876%0.75983%0.828SS**  trans-138.5105.3171.7-68.893.5000113.3D385D385-H387 IonicContact OD1-ND1 3.87Å
388R29.4Very low34Very low248 Ų248155.6 Ų155.694%0.93683%0.828SS**  trans-156.6109.8147.7-103.2-72.8170168.3-2.4110.7
389R32.2Very low34.7Very low234 Ų234155.6 Ų155.688%0.88383%0.83SS**PPolyproline II helixtrans-66.8157.1165.1-68.2-179.6176.8-132.20.6110.9
390S32.5Very low34.7Very low115 Ų115152.5 Ų152.580%0.80483%0.828SS**PPolyproline II helixtrans-53.5149.7173.7-34.80000113.9
391P43.8Very low34.4Very low130 Ų130150.1 Ų150.184%0.84483%0.832SS**PPolyproline II helixtrans-90.2149.3157.725.3-12.7000111.9
392L30.1Very low34.5Very low172 Ų172149.9 Ų149.990%0.90183%0.832SS**PPolyproline II helixtrans-92.3161.9-178.2-155.7135.1000110.4
393L35.2Very low34.4Very low163 Ų163145.1 Ų145.185%0.85381%0.814SS**PPolyproline II helixtrans-66.3143177.6-64.9165.3000112
394D32.1Very low34.3Very low162 Ų162150.1 Ų150.187%0.86682%0.816SS**  trans-144.5154.1152.2-157.45000110.9
395V32.7Very low34.2Very low118 Ų118153.9 Ų153.972%0.71582%0.815SS**  trans-106.8137-168.31630000111
396S31.2Very low34.6Very low125 Ų125153.4 Ų153.487%0.87482%0.819SS**  trans-156.2143.6156.7-128.60000113.3
397D34.3Very low34.9Very low157 Ų157150.9 Ų150.984%0.8482%0.815SS**  trans-90.9121.3-165.6-78.3-62.2000115.5
398G32.6Very low34.8Very low73 Ų73148.2 Ų148.275%0.75381%0.81SS**  trans58.6178.8142.500000122.1
399P49.9Very low35.1Very low127 Ų127145.7 Ų145.783%0.82581%0.809SS**  cis-130.4156.8-17.239.1-23.9000115.9
400A31.6Very low35.3Very low96 Ų96143 Ų14379%0.79381%0.806SS**  trans53.4115.7149.100000122.6
401S33.5Very low35.4Very low134 Ų134146.3 Ų146.394%0.93781%0.814SS**  -158.4156.1126.3-88.40000114.4
402Y32.6Very low35.1Very low223 Ų223151.7 Ų151.788%0.87582%0.817SS**  trans-68.2141.4-153.8-144-121.3000119.5
403S30.3Very low35.3Very low76 Ų76147.5 Ų147.553%0.53181%0.807SS.*  trans49.5122.9136.5-153.80000120.9
404Y30.8Very low35.4Very low219 Ų219144.4 Ų144.486%0.85980%0.799SS**  -161.8154.369.3-115.5-88.9000113.2
405R39.3Very low35.5Very low202 Ų202146.8 Ų146.876%0.76280%0.802SS**  trans-109.5155.9172-141-173.5-163.91796109.2
406P38.8Very low35.8Very low119 Ų119148.9 Ų148.977%0.77380%0.804SS**  -147-160.693.544.4-26.3000112
407P41.8Very low36Very low112 Ų112146.8 Ų146.873%0.72780%0.802SS**  -119.7153.4-100.632.9-13.9000115.9
408T36.7Very low36.2Very low108 Ų108150 Ų15066%0.66380%0.803SS**  trans-82.613916948.80000112
409Q36Very low36.5Very low195 Ų195158 Ų15891%0.91181%0.81SS**  trans-134.2145.8153.5-72.5-164.1-2.300111.3
410H36.2Very low36Very low178 Ų178157.4 Ų157.482%0.82481%0.809SS**  trans-87.8152.4-167.2-59.7-108.3000112.2
411L34.7Very low36.1Very low183 Ų183164 Ų16496%0.95882%0.815SS**  trans-132.2118.5147.8-90.4172.4000111.2
412R37Very low36.1Very low244 Ų244163 Ų16392%0.92181%0.808SS**  trans-132.1114.3170.8170.5-170.7179.8170.32.7106.7
413A34.8Very low36.4Very low84 Ų84160.9 Ų160.969%0.69481%0.806SS**  trans-166.3105.216700000107
414S36.5Very low36.7Very low97 Ų97164.5 Ų164.568%0.67883%0.825SS**  79.2101.872.571.80000113.4
415F34.5Very low36.9Very low213 Ų213159 Ų15993%0.93482%0.824SS**  trans-60.5132.9164.3-76.5-103000110.4
416Q38.6Very low36.6Very low161 Ų161156.8 Ų156.875%0.75283%0.827SS**  trans-135.7111.5161.6-76.6-176.93.200108.8
417G34.8Very low36.4Very low81 Ų81156.5 Ų156.584%0.83583%0.826SS**  trans-69.9151.9170.900000111.1
418R39.4Very low36Very low226 Ų226156.9 Ų156.985%0.85383%0.831SS**  trans-133.6124.6169-74.6-172.9172.6-95.9-2.6110.9
419R39.7Very low35.8Very low241 Ų241156.5 Ų156.591%0.90984%0.839SS**  trans-114161.9148.5-78.8-174.3173.5-971.1107.7
420S37.9Very low35.7Very low114 Ų114158.3 Ų158.380%0.79784%0.839SS**  trans97.8116.9164.8-53.30000118.7
421Y33.9Very low35.5Very low233 Ų233159.3 Ų159.391%0.91484%0.844SS**  trans-20.8148.3158.9-60.6-98.5000119.3
422S33.9Very low35.3Very low114 Ų114156.3 Ų156.380%0.79784%0.837SS**  -178.4159.6104.6-165.60000112.1
423E39.1Very low35.9Very low179 Ų179149.9 Ų149.984%0.83683%0.827SS**  trans-67.3154.8-179.2-57.1153.7112.300114.6
424V36.9Very low36.8Very low152 Ų152150.5 Ų150.592%0.92182%0.824SS**  trans-150.5131141.2-96.80000108.8
425A34.3Very low36.8Very low102 Ų102155.9 Ų155.984%0.84383%0.829SS**  trans-99147.6174.600000110.8
426D32.2Very low36.9Very low156 Ų156153.9 Ų153.983%0.83482%0.821SS**  trans-116125.3175.2-165.28.1000110
427P36.3Very low36.8Very low114 Ų114150.6 Ų150.674%0.7482%0.815SS**  trans-109.7108.3-169.836.8-28.6000114.1
428S32.8Very low36.9Very low119 Ų119155.1 Ų155.183%0.83282%0.819SS**  trans-159.8113.9153.458.30000114.8
429A32.9Very low36.6Very low101 Ų101151.9 Ų151.984%0.83582%0.819SS**  trans160.5102.6133.400000110.6
430Y33Very low37Very low232 Ų232145.3 Ų145.391%0.9181%0.808SS**  trans-83130.8171.7-86-97.3000111.4
431Q32.3Very low36.7Very low200 Ų200146 Ų14694%0.93581%0.807SS**  trans-157.7136.8136-114172.64200112.3
432C30.7Very low36.8Very low120 Ų120140.7 Ų140.781%0.81180%0.804SS**  trans-163.2172.4-178.5-139.90000105.8
433P50.3Low37.2Very low108 Ų108141.2 Ų141.270%0.70180%0.802SS**  cis-132.3-149.92.333.8-6.5000109.8
434P52.3Low37Very low98 Ų98140.6 Ų140.664%0.63680%0.804SS**  cis-151.4153.66.746.3-25000122.2
435R37.8Very low37.2Very low210 Ų210139.2 Ų139.279%0.79280%0.798SS**  trans65.8149.8156.8-28.1-156.3-168.6-174.15.6118.1
436F36.3Very low37.2Very low171 Ų171143.9 Ų143.975%0.7580%0.799SS**  cis-139.3132.317-86.5-89.4000113.9
437S36.1Very low37.5Very low91 Ų91142.4 Ų142.464%0.63680%0.798SS**  trans39.8134.4133.468.40000125.1
438L36.3Very low37.7Very low176 Ų176148.3 Ų148.392%0.92181%0.806SS**  trans92.6149.5144.7-74.1154.1000119.7
439D33.8Very low37.9Very low158 Ų158148.5 Ų148.585%0.84580%0.804SS**  trans-98.4168.2-151.2-138.326.7000112.8
440P48Very low37.7Very low104 Ų104153 Ų15368%0.67580%0.801SS**  trans-94.3152-166.837.3-34.5000113.9
441V32.7Very low37.8Very low128 Ų128148.5 Ų148.578%0.77680%0.797SS**  trans-138.8117.9157.3-1770000109.8T443V441-T443 HydrophobicContact CG1-CG2 4.12Å
442S34.8Very low37.7Very low121 Ų121145.4 Ų145.485%0.84678%0.783SS**  trans-75.2128164.7-56.60000110
443T42.8Very low37.6Very low125 Ų125143.2 Ų143.277%0.76778%0.78SS**  trans-125.8122.1164.746.30000110.8V441V441-T443 HydrophobicContact CG1-CG2 4.12Å
444L34.5Very low36.7Very low167 Ų167147.7 Ų147.787%0.87479%0.785SS**PPolyproline II helixtrans-63.4137.2166.3-10975.4000109.6
445P41.6Very low36.4Very low123 Ų123148.6 Ų148.680%0.79979%0.791SS**PPolyproline II helixtrans-78.2124.6171.130.5-31.8000111
446K33.8Very low36.2Very low200 Ų200147.5 Ų147.587%0.8779%0.792SS**PPolyproline II helixtrans-80.3141.4162.1-86.6177.3173.5175.60110
447P38.6Very low35.9Very low125 Ų125148.8 Ų148.881%0.81280%0.8SS**PPolyproline II helixtrans-70.9151179.229.8-34.8000112
448R40Very low35.4Very low237 Ų237153.1 Ų153.189%0.89481%0.81SS**PPolyproline II helixtrans-97.4152.8169.4-71.4-174.3178.5-177.6-0.3110.7
449P38.4Very low35.8Very low124 Ų124149.4 Ų149.481%0.80580%0.797SS**PPolyproline II helixtrans-71.4150.1-178.2-14.930.5000113.1
450Y28.4Very low35.6Very low196 Ų196149.7 Ų149.777%0.76979%0.793SS**PPolyproline II helixtrans-78.7131.5172.4-172.9-100.4000110.2E452Y450-E452 HydrophobicContact CE1-CB 4.02Å; Y450-E452 HydrophobicContact CE1-CG 4.49Å
451V35.2Very low34.6Very low137 Ų137152.6 Ų152.683%0.8380%0.797SS**  trans-124.4127.5169.4171.30000107.6
452E29.2Very low34.4Very low134 Ų134153.1 Ų153.163%0.62680%0.8SS**  trans-95.1142.3-176.8-170.4155.2-174.400111.8Y450Y450-E452 HydrophobicContact CE1-CB 4.02Å; Y450-E452 HydrophobicContact CE1-CG 4.49Å
453G29.3Very low34Very low74 Ų74150.8 Ų150.876%0.76380%0.795SS**  trans-173.787.7-175.300000114.1
454Y31.4Very low33.4Very low202 Ų202150.4 Ų150.479%0.79280%0.798SS**  trans-76.7154.8162.8-86.8-76.1000110.1
455P46.1Very low34.4Very low117 Ų117146.5 Ų146.576%0.7678%0.783SS**  -153.8166.15741-19.5000120.4
456K32.4Very low33.9Very low187 Ų187148.6 Ų148.681%0.81378%0.781SS**  trans29.5121150.5-83.2178.4170.1173.70120.5
457Q30Very low33.7Very low199 Ų199144.7 Ų144.793%0.9378%0.779SS**  -166.6153.8110-104.7158.581.500113.8
458Q26.4Very low33.3Very low182 Ų182141.8 Ų141.885%0.8577%0.772SS**  trans-114.1179.4175.8-119.8-177.74.100107.5
459P44.8Very low33Very low98 Ų98138 Ų13864%0.63677%0.769SS**  cis-141.9-170.8-7.326.10.7000115.7
460Q29Very low32.9Very low163 Ų163138.5 Ų138.576%0.76276%0.76SS**  trans102.8125145.4-62.1-155.1-15.100123.2
461H27.1Very low33Very low166 Ų166136.6 Ų136.677%0.76976%0.758SS**  trans62.8148.8146.7-80.3-105.8000118.2
462V28.7Very low32.7Very low138 Ų138141.5 Ų141.584%0.83676%0.761SS**  cis-151.7154.631.4177.70000110.5
463G26.8Very low32.6Very low72 Ų72138.3 Ų138.374%0.74276%0.764SS**  trans103.7111.6133.300000121.5
464S29.7Very low32.7Very low117 Ų117140.6 Ų140.682%0.81877%0.769SS**  trans-85-162.9151.3-145.10000108.8
465P55.3Low33.7Very low86 Ų86136.2 Ų136.256%0.55877%0.765SS**  cis-145.4-164.13.824.74.9000117.2
466H31Very low33Very low167 Ų167136 Ų13677%0.77377%0.766SS**  trans87.7135.3164.2-47.7-64.6000116.6
467S30.6Very low33.8Very low118 Ų118132.1 Ų132.183%0.82576%0.76SS**  cis-167.3166.2-11.9-830000107.7
468G29.4Very low34Very low63 Ų63129.4 Ų129.465%0.64975%0.751SS**  cis149.4128.7-7.200000113.3
469L34.5Very low34.4Very low159 Ų159128.9 Ų128.983%0.83275%0.749SS**  trans72.7146.2173.2-51.9170.7000116.1
470Q35.3Very low33.7Very low134 Ų134128.6 Ų128.663%0.62675%0.754SS**  cis-164.11622.4-126.9170.5145.700113.7
471H30.3Very low33.8Very low156 Ų156125.2 Ų125.272%0.72276%0.755SS**  trans68.2151153.5-68-35.8000120
472R28.7Very low34.2Very low240 Ų240122.6 Ų122.691%0.90676%0.761SS**  cis-165.5150.2-13.7-178-178.6-163.4-163.26.5106.7
473G27.7Very low34.3Very low66 Ų66119.6 Ų119.668%0.6876%0.758SS**  trans-106.7178.7-167.100000118.4
474S30.9Very low34.7Very low123 Ų123120 Ų12086%0.8676%0.763SS**  trans69.5164.2156.3-63.80000119
475P52.8Low34.9Very low110 Ų110121.6 Ų121.671%0.71476%0.763SS**  cis-142.2166.2-32.337.1-19.5000116.3
476S30.9Very low34Very low113 Ų113122.3 Ų122.379%0.7977%0.769SS**  trans58.3178.4139-78.40000121.6
477P50.4Low34Very low104 Ų104119.4 Ų119.468%0.67577%0.768SS**  cis-137.6-166.3-28.628.4-3.8000115
478L33.3Very low34.4Very low142 Ų142121.9 Ų121.974%0.74377%0.768SS**  trans82.2152155.5-57173000119.7
479Q35.1Very low34.5Very low171 Ų171122.7 Ų122.780%0.79977%0.769SS**  cis-173.7163.4-27.3-167.7169.564.300110
480A29.7Very low34.2Very low92 Ų92123.8 Ų123.876%0.7677%0.77SS**  trans77.6154.7156.500000119.8
481A31.5Very low34Very low93 Ų93122 Ų12277%0.76977%0.773SS**  cis-173.8163.5-27.200000111.2
482A36Very low34Very low110 Ų110119.4 Ų119.491%0.90977%0.772SS**  trans68143.1165.300000118.4
483G31Very low34.1Very low75 Ų75116 Ų11677%0.77377%0.768SS**  cis-164.3147.9-7.300000108.9
484G35.1Very low34.6Very low82 Ų82123.6 Ų123.685%0.84578%0.776SS**  75.1123.193.400000112.4
485D32.7Very low34.5Very low150 Ų150126.6 Ų126.680%0.80278%0.776SS**  cis-160151.828.7-161.86.8000114.9
486S36.9Very low33.3Very low100 Ų100126.9 Ų126.970%0.69978%0.781SS**  trans12.9135.3159.6-58.40000125.3
487S30.9Very low33.4Very low106 Ų106131.1 Ų131.174%0.74178%0.779SS**  -175.2113.8105.5-171.80000114.6
488M39.5Very low32.3Very low170 Ų170133.1 Ų133.184%0.83778%0.78SS**  trans46.2138.9145.7-49.9-55.816100121.4
489A30.3Very low32.5Very low81 Ų81133 Ų13367%0.66978%0.777SS**  cis-164.1134.5-3.600000106.7
490E29.8Very low32.9Very low182 Ų182130.6 Ų130.685%0.8578%0.776SS**  65120.179.7-164.9162.3-179.500112.5
491S29.6Very low33.1Very low97 Ų97134.6 Ų134.668%0.67878%0.777SS**  cis-144.1156.611.5-51.50000109.2
492S31Very low33.8Very low100 Ų100136.2 Ų136.270%0.69978%0.779SS**  cis61.1101.948.1-159.80000116.4
493M31.9Very low33.6Very low168 Ų168139.1 Ų139.183%0.82878%0.779SS**  177149.6115.4-93.5-63.6-176.700112.4
494R36.4Very low33.7Very low227 Ų227141.5 Ų141.586%0.85778%0.783SS**  trans-81168.8170.7-51.1180-176.4-163.20.7110
495H29.5Very low33.5Very low186 Ų186145.6 Ų145.686%0.86178%0.781SS**  -165.7147.9126.8-94-58.7000112.2
496S28.2Very low33.4Very low115 Ų115143.7 Ų143.780%0.80477%0.774SS**  trans-74166175.4-40.90000112.2
497R31.6Very low33.2Very low202 Ų202143.9 Ų143.976%0.76278%0.782SS**  152.2130.8109.1-170.1165.7-172.4-149-16.6114.9
498E28.9Very low33.2Very low147 Ų147146.5 Ų146.569%0.68778%0.782SS**  trans61.8139.6153.9-72.2158.2-160.600122.5
499M37.1Very low33Very low140 Ų140147 Ų14769%0.6979%0.787SS**  trans-84.2152.2164.4-78.8-83.9-7600110.2F501M499-F501 HydrophobicContact CE-CD2 3.76Å; M499-F501 HydrophobicContact CE-CE1 4.3Å; M499-F501 HydrophobicContact CE-CE2 3.38Å; M499-F501 HydrophobicContact CE-CG 4.36Å; M499-F501 HydrophobicContact CE-CZ 3.69Å
500P43.3Very low33Very low120 Ų120150.4 Ų150.478%0.77979%0.789SS**  -146.3160.9101.336.5-20.5000115.6
501F34.3Very low33.1Very low176 Ų176151.7 Ų151.777%0.77279%0.792SS**  trans-70.5159.6169.5-70.8-82.5000112.6M499M499-F501 HydrophobicContact CE-CD2 3.76Å; M499-F501 HydrophobicContact CE-CE1 4.3Å; M499-F501 HydrophobicContact CE-CE2 3.38Å; M499-F501 HydrophobicContact CE-CG 4.36Å; M499-F501 HydrophobicContact CE-CZ 3.69Å
502P45Very low33.3Very low127 Ų127154.3 Ų154.383%0.82579%0.794SS**  -137.3172.2111.938.5-28.1000115.4
503L32.6Very low34.1Very low170 Ų170155 Ų15589%0.8980%0.795SS**  trans-70.9154.2-175.2-67.2153.1000114.6
504S33.1Very low35Very low125 Ų125152.5 Ų152.587%0.87479%0.792SS**  trans-151.1160.3141.8-149.10000111.3
505E30Very low35.7Very low169 Ų169147.2 Ų147.279%0.7979%0.787SS**  trans-109.7147-150.5-75173.7119.900115.8
506V31.7Very low36.4Very low109 Ų109144.4 Ų144.466%0.66179%0.785SS**  trans51.6117.5136.4-177.70000120.1
507A32.7Very low37.1Very low104 Ų104144.8 Ų144.886%0.8679%0.788SS**  trans-145.8121.5132.500000109.9
508H31.6Very low37.2Very low162 Ų162144.5 Ų144.575%0.7580%0.795SS**  trans-85.9141.6179.9-62.2-88.8000111.6
509L33.4Very low38Very low180 Ų180143.4 Ų143.494%0.94280%0.801SS**  trans-126.6131150.4-76.8178.4000109.8
510H31Very low37.8Very low153 Ų153141.3 Ų141.371%0.70881%0.806SS**  trans-88136.3-172.4-171.3-90.5000109.6E512H510-E512 IonicContact CE1-OE2 3.81Å
511F31.4Very low37.5Very low209 Ų209141.5 Ų141.592%0.91781%0.807SS**  trans-138.7135.6164.4-121.4-86.2000110.4
512E34.5Very low37.7Very low152 Ų152141.1 Ų141.171%0.7181%0.808SS**  trans-113.1127.8-164.1-175.1174.512400109.8H510H510-E512 IonicContact CE1-OE2 3.81Å
513P47.6Very low37.6Very low113 Ų113140.4 Ų140.473%0.73480%0.803SS**PPolyproline II helixtrans-82.7145.1175.632.1-32.4000111.8
514P52Low38.2Very low117 Ų117138.6 Ų138.676%0.7680%0.802SS**PPolyproline II helixtrans-74.7161.6-174.731-36.2000113.9
515P50.7Low38.2Very low115 Ų115141.5 Ų141.575%0.74780%0.801SS**PPolyproline II helixtrans-79.3154.9-170.631.8-37000114.6
516P44.1Very low38.3Very low127 Ų127139.3 Ų139.383%0.82581%0.805SS**PPolyproline II helixtrans-76.5144.9177.131.9-35000112.8
517S41.6Very low38.3Very low124 Ų124139.3 Ų139.387%0.86781%0.81SS**  trans-107.7152.3174.4-64.50000112
518Q35.6Very low38.4Very low195 Ų195143 Ų14391%0.91181%0.809SS**  trans-79.6165.3-166-78.2179.6-42.900116.1
519P44.3Very low38.6Very low125 Ų125142.9 Ų142.981%0.81281%0.814SS**  trans-105.5156-172.339.6-34.2000115.7
520A32.5Very low38.9Very low95 Ų95143.4 Ų143.479%0.78581%0.811SS**  trans-175162.5156.600000111.1
521P37.8Very low39.2Very low125 Ų125144.2 Ų144.281%0.81282%0.815SS**  cis-124172.2-39.637.9-23.9000112.7
522Q38.8Very low39.3Very low168 Ų168142.5 Ų142.579%0.78581%0.81SS**PPolyproline II helixtrans-88.7151.1177.2-62-173.2-95.600113.6
523P43.4Very low39.2Very low111 Ų111146.6 Ų146.672%0.72182%0.819SS**PPolyproline II helixtrans-82.5160.6157.735-32.6000112
524P43.5Very low38.4Very low133 Ų133146.3 Ų146.386%0.86482%0.816SS**PPolyproline II helixtrans-79162.8-172.632.4-36.2000114.6
525Q34.2Very low37.4Very low186 Ų186146.6 Ų146.687%0.86982%0.819SS**  trans-87.8-178.1-177-60.5-174.4-85.400114.2
526S31.3Very low36.6Very low123 Ų123147.1 Ų147.186%0.8682%0.822SS**  trans85.8141.7173.374.10000115.5
527S32.1Very low35.9Very low109 Ų109149.2 Ų149.276%0.76282%0.821SS**  cis-138.8164.32.554.60000112.2
528E35.6Very low35.7Very low181 Ų181149.6 Ų149.685%0.84682%0.82SS**  trans-65.4142.4165.2-64.1141.7115.900110.7
529D34.6Very low35.5Very low159 Ų159147.9 Ų147.985%0.8582%0.816SS**  trans-158.5132.4145.4-111.9-42.1000108.6
530E39.5Very low35Very low192 Ų192147 Ų14790%0.89781%0.812SS**  trans-99.3116.2179-63-140.3120.200109.8
531E37.7Very low35.2Very low169 Ų169148.2 Ų148.279%0.7981%0.813SS**  trans-136.7123.3168.1-103.6-179.1131.900113.4W533E531-W533 PolarHBondContact O-N 3.16Å
532E35Very low35.4Very low174 Ų174148.3 Ų148.381%0.81381%0.813SS**  trans-81.898.7-171.1-177.3178.4176.700111.5T534E532-T534 PolarHBondContact O-N 2.96Å
533W30.9Very low35.1Very low237 Ų237151.8 Ų151.890%0.89882%0.819SS**  trans-76.288179.3-75.489.2000112.7E531E531-W533 PolarHBondContact O-N 3.16Å
534T30.9Very low34.7Very low108 Ų108153.4 Ų153.466%0.66383%0.828SS**PPolyproline II helixtrans-76.1130.5167.231.20000111.5E532 P536E532-T534 PolarHBondContact O-N 2.96Å; T534-P536 WeakPolarHBondContact O-CD 3.41Å
535C30.5Very low34.1Very low123 Ų123155.7 Ų155.783%0.83183%0.831SS**PPolyproline II helixtrans-75.3124.8178.7-65.10000112.2
536P34.3Very low33.8Very low125 Ų125150.1 Ų150.181%0.81282%0.824SS**PPolyproline II helixtrans-85129.2173.5-9.527.7000112.4T534T534-P536 WeakPolarHBondContact O-CD 3.41Å
537H29.7Very low33.8Very low171 Ų171150.8 Ų150.879%0.79282%0.823SS**PPolyproline II helixtrans-71.2145.7164.5-63.3-59.8000111.3I539H537-I539 PolarHBondContact O-N 3.5Å
538P37.5Very low33.7Very low132 Ų132153.5 Ų153.586%0.85783%0.828SS**  trans-78114.517130.6-31.7000111.1
539I31.2Very low33.4Very low159 Ų159149.9 Ų149.982%0.81582%0.822SS**PPolyproline II helixtrans-103.6142.9168.2-66.3177.8000109.8H537H537-I539 PolarHBondContact O-N 3.5Å
540S33.3Very low33.8Very low106 Ų106148.2 Ų148.274%0.74182%0.82SS**PPolyproline II helixtrans-62.2154.8-173.4-41.60000116
541P38Very low33.3Very low121 Ų121143.8 Ų143.879%0.78682%0.816SS**PPolyproline II helixtrans-86.6167.7161.434.7-31.2000113
542P42.2Very low33.1Very low128 Ų128142 Ų14283%0.83182%0.817SS**  trans-105.3173.6-146.839.5-37.5000117.6
543R31.3Very low33.6Very low240 Ų240139.7 Ų139.791%0.90682%0.817SS**  trans-72.1144.9176.9-69.7173.8166159.1-4.8113.9
544T34.6Very low33.7Very low146 Ų146134.2 Ų134.290%0.89682%0.815SS**  trans-135.6160.1143.543.20000110.4
545L31.4Very low33.6Very low180 Ų180132.3 Ų132.394%0.94282%0.816SS**  trans-96.6149.6-163.8-66.3156.8000112.8
546G29.2Very low33.7Very low70 Ų70134 Ų13472%0.72282%0.816SS**  trans165.365.4167.200000120.4
547V30.6Very low33.6Very low136 Ų136134.7 Ų134.782%0.82481%0.81SS**  54.9123.7127.6176.90000121
548L29.7Very low33.7Very low166 Ų166137 Ų13787%0.86981%0.812SS**  trans87.6112.5159.6-69.1164.1000122
549S29.1Very low33.2Very low105 Ų105134 Ų13473%0.73481%0.805SS**  trans-76.7176.8143.4-520000110.1
550P43.9Very low34.4Very low124 Ų124132.9 Ų132.981%0.80581%0.808SS**  cis-138.5172.87.943.1-26000116.5
551A28.4Very low34.2Very low99 Ų99132.1 Ų132.182%0.81881%0.808SS**  169.1141129.900000112.4
552V33.4Very low34Very low132 Ų132131.8 Ų131.880%0.881%0.808SS**  trans-102.9153160.5-149.30000107
553P45.6Very low33.3Very low126 Ų126131 Ų13182%0.81881%0.805SS**  -146.4174.198.636.1-18.3000115.6
554S33.1Very low33.4Very low122 Ų122126 Ų12685%0.85380%0.801SS**  trans-78154-167.2-40.80000117
555G29.6Very low33.1Very low67 Ų67123.9 Ų123.969%0.69180%0.798SS**  120.4125.5123.800000121.8
556I31.5Very low33.1Very low159 Ų159124.5 Ų124.582%0.81579%0.794SS**  87.8122.5127.1-66.8176.7000121.2
557M32.3Very low34.2Very low139 Ų139127.2 Ų127.269%0.68580%0.798SS**  trans91.6115.2153.9-69.3-73.217000124.9
558R31.7Very low34.4Very low221 Ų221127.6 Ų127.683%0.83479%0.794SS**  66.5131.5117.7-149.4177.5-73-168.2-3.1121.1
559G26.9Very low34.9Very low69 Ų69124.7 Ų124.771%0.71179%0.785SS**  trans-80.9-145.217800000115.4
560P56.1Low34.9Very low135 Ų135128 Ų12888%0.87779%0.789SS**  cis-144.4-150.612.845.4-24.1000115.5
561A30.6Very low34.4Very low90 Ų90132.9 Ų132.974%0.74479%0.792SS**  trans106.3148.616200000117.8
562S32.6Very low35.2Very low113 Ų113133.4 Ų133.479%0.7979%0.786SS**  cis-168.1158.8-20.7-92.30000111.9
563C28.4Very low35Very low113 Ų113133.8 Ų133.876%0.76478%0.784SS**  trans-7.8158.2155.6-59.60000120.9
564T33.8Very low34.1Very low134 Ų134133.6 Ų133.682%0.82278%0.776SS**  cis179.4156.16.123.20000109.8
565A27.2Very low34Very low102 Ų102135.3 Ų135.384%0.84378%0.775SS**  trans173.8150.7140.400000115.2
566F32.5Very low33.7Very low193 Ų193137.3 Ų137.385%0.84678%0.778SS**  trans-116.4166.3176.1-92.1-83.7000111.1
567P50.8Low33.4Very low126 Ų126135.4 Ų135.482%0.81878%0.778SS**  -150.2171.594.136.1-16000117.2
568I35.3Very low33.6Very low145 Ų145137.1 Ų137.174%0.74478%0.784SS**  trans-115.1157.1173.1-25.3175.9000109
569P39.6Very low33.8Very low105 Ų105132 Ų13268%0.68278%0.78SS**  -146.3-165.589.242.4-24.4000111.7
570Q29.4Very low34.5Very low174 Ų174137.6 Ų137.681%0.81379%0.787SS**  cis-144.11807.3-102.6-49.9-8.800110.5
571R33.3Very low33.3Very low227 Ų227140.1 Ų140.186%0.85779%0.787SS**  trans-143.8158.3161.6-130.4-177.5-167.6147.11110.5
572P44.7Very low33.2Very low109 Ų109139.3 Ų139.371%0.70879%0.787SS**  -151.8151.1121.636.6-19.6000117.2
573N30.3Very low33.1Very low141 Ų141145.4 Ų145.475%0.75479%0.794SS**  trans45147.3138-63.46000122.1
574N27Very low33.2Very low121 Ų121144.4 Ų144.465%0.64779%0.794SS**  cis-157.5140.25.2-113.9-13.6000112.3
575L30.5Very low33.2Very low158 Ų158143.8 Ų143.883%0.82779%0.79SS**  trans31.3121.7141.8-53.5171.5000121.5
576S23.9Very low33.5Very low109 Ų109144.6 Ų144.676%0.76279%0.79SS**  -179.6152.698.3-159.60000114.1
577C25.7Very low33.8Very low120 Ų120143.5 Ų143.581%0.81179%0.788SS**  trans73.9133.2166-61.50000120.9
578H34.9Very low33.5Very low175 Ų175146.1 Ų146.181%0.8179%0.789SS**  trans-37.8154.1179-88.6-76.8000118.9
579P36.8Very low33.4Very low114 Ų114143.4 Ų143.474%0.7479%0.788SS**  -129.6161.395.937.4-30.7000114.4
580Q41.4Very low33.6Very low186 Ų186148.5 Ų148.587%0.86980%0.803SS**  trans-76.6144.3160.4-74.6-164.4-24.700109.6
581Q30.3Very low34Very low188 Ų188143.9 Ų143.988%0.87979%0.789SS**  trans-136.8124.2170.9-158.9157.417.100109
582G28.5Very low34.1Very low72 Ų72143 Ų14374%0.74279%0.786SS**PPolyproline II helixtrans-75.5155.7-172.200000112.9
583Y31.6Very low33.9Very low241 Ų241144 Ų14495%0.94579%0.792SS**PPolyproline II helixtrans-80.7118.8155.1-90.7-89.8000108.6
584A30.3Very low34.3Very low92 Ų92140 Ų14076%0.7678%0.776SS**PPolyproline II helixtrans-63.2140.7171.400000110.1S586A584-S586 PolarHBondContact O-N 3.4Å
585T34Very low35.3Very low121 Ų121136.2 Ų136.274%0.74276%0.755SS**PPolyproline II helixtrans-54.9122.1167.638.50000110.4E587T585-E587 PolarHBondContact O-N 3.08Å; T585-E587 VanDerWaalsContact O-N 3.1Å
586S31.9Very low36Very low119 Ų119134 Ų13483%0.83274%0.744SS**  trans-78.792.8170-1660000109.1A584 H588A584-S586 PolarHBondContact O-N 3.4Å; S586-H588 VanDerWaalsContact C-N 3.31Å; S586-H588 PolarHBondContact O-N 2.88Å
587E40.1Very low37Very low171 Ų171135.4 Ų135.480%0.79974%0.742SS**  trans-69.981.5176.1-65.5-178.5116.900111T585T585-E587 PolarHBondContact O-N 3.08Å; T585-E587 VanDerWaalsContact O-N 3.1Å
588H44Very low38.1Very low181 Ų181138.7 Ų138.784%0.83874%0.738SS**  trans-153.446.4171.1-120.9-67.8000115.4S586S586-H588 VanDerWaalsContact C-N 3.31Å; S586-H588 PolarHBondContact O-N 2.88Å
589A33.6Very low38.8Very low88 Ų88132 Ų13273%0.72771%0.707SS**  trans-144.356.8171.600000113.1S591A589-S591 VanDerWaalsContact C-N 3.31Å; A589-S591 PolarHBondContact O-N 3.45Å; A589-S591 VanDerWaalsContact O-N 3.1Å
590Q42.7Very low39.4Very low212 Ų212134 Ų13499%0.99171%0.707SS**  trans-8081.6164.6-76-157.5-1.600110.8
591S39.3Very low39.5Very low77 Ų77129.8 Ų129.854%0.53870%0.698SS.*SBendtrans-147.5101.7169.353.90000110.3A589A589-S591 VanDerWaalsContact C-N 3.31Å; A589-S591 PolarHBondContact O-N 3.45Å; A589-S591 VanDerWaalsContact O-N 3.1Å
592W35.8Very low40.5Very low209 Ų209130.7 Ų130.779%0.79270%0.702SS**  trans56.5112.4168-60.189.7000117.5S594 I595W592-S594 PolarHBondContact O-N 2.92Å; W592-I595 PolarHBondContact O-N 2.8Å
593P38.7Very low41.3Very low128 Ų128136.3 Ų136.383%0.83171%0.709SS**THydrogen-bonded Turntrans-60-13.4176.1-22.433000115
594S40.2Very low42Very low59 Ų59130.7 Ų130.741%0.41370%0.695SS.*THydrogen-bonded Turntrans-78.9-21.4-173.839.60000114.6W592 W598W592-S594 PolarHBondContact O-N 2.92Å; S594-W598 PolarHBondContact O-NE1 3.32Å
595I47.9Very low43.2Very low40 Ų40133.2 Ų133.221%0.20570%0.696CS.*SBendtrans-72.3-38-172.9-90.9174.9000114W592 L597 W598 I626W592-I595 PolarHBondContact O-N 2.8Å; I595-L597 PolarHBondContact O-N 3.14Å; I595-W598 PolarHBondContact O-N 2.99Å; I595-W598 VanDerWaalsContact O-N 3.15Å; I595-I626 HydrophobicContact CG2-CD1 4.33Å; I595-I626 HydrophobicContact CG2-CG1 4.29Å
596N45Very low44.3Very low111 Ų111132.4 Ų132.459%0.59469%0.685SS**G310 helixtrans-62.7-30.8-178.8-75.23.1000112.9W598 M599N596-W598 PolarHBondContact O-N 3.34Å; N596-M599 PolarHBondContact O-N 3.21Å; N596-M599 VanDerWaalsContact O-N 3.08Å
597L44.8Very low46.1Very low140 Ų140131.7 Ų131.773%0.73366%0.664SS**G310 helixtrans-66.4-16.2178.3-102.1145.5000114.6I595I595-L597 PolarHBondContact O-N 3.14Å
598W49.4Very low47.7Very low188 Ų188126.7 Ų126.771%0.71265%0.648SS**G310 helixtrans-91.7-3174.9-51.583000112.8S594 I595 N596S594-W598 PolarHBondContact O-NE1 3.32Å; I595-W598 PolarHBondContact O-N 2.99Å; I595-W598 VanDerWaalsContact O-N 3.15Å; N596-W598 PolarHBondContact O-N 3.34Å
599M49.8Very low49.3Very low34 Ų34118.1 Ų118.117%0.16761%0.608CS.*SBendtrans-109.2-0.2-174.2-72.4-143.7-61.200113.5N596 R607 D622 L625N596-M599 PolarHBondContact O-N 3.21Å; N596-M599 VanDerWaalsContact O-N 3.08Å; M599-R607 VanDerWaalsContact O-CZ 3.3Å; M599-R607 PolarHBondContact O-NH1 3.42Å; M599-R607 VanDerWaalsContact O-NH1 3.07Å; M599-R607 PolarHBondContact O-NH2 2.86Å; M599-D622 HydrophobicContact CE-CB 4.33Å; M599-L625 HydrophobicContact SD-CD2 4.5Å
600E49.1Very low51Low158 Ų158117.5 Ų117.574%0.73860%0.597SS**  trans-12492.8177.7-68.8179.7170.700109.4
601S43.6Very low52.6Low96 Ų96111.8 Ų111.867%0.67157%0.573SS**  trans-137.498.2165.8-68.50000106.8E603S601-E603 PolarHBondContact O-N 3.24Å
602E49.7Very low54.6Low207 Ų207110.3 Ų110.397%0.96756%0.562SS**THydrogen-bonded Turntrans-71.417.4-164.6-59.9-173.5116.700115.2
603E46.1Very low56.5Low191 Ų191108 Ų10889%0.89356%0.56SS**THydrogen-bonded Turntrans-131.614.4-171.7-147.8176.6-176.800114.4S601S601-E603 PolarHBondContact O-N 3.24Å
604N47.1Very low58.4Low122 Ų122106.4 Ų106.465%0.65254%0.544SS*.  trans-148.5114.7173.8-145.60.7000112.5M606N604-M606 PolarHBondContact O-N 2.94Å
605D54.6Low60.2Low146 Ų146108.5 Ų108.578%0.78155%0.549SS*.SBendtrans-70.726.2-176.4-72.6-47.4000114.4V618D605-V618 WeakPolarHBondContact O-CG2 3.35Å
606M57.7Low61.6Low103 Ų103107.8 Ų107.851%0.50755%0.545SS..  trans-142.398.2-167.1-61.8172.791.700109.8N604 I615N604-M606 PolarHBondContact O-N 2.94Å; M606-I615 HydrophobicContact CB-CG2 3.97Å; M606-I615 HydrophobicContact CE-CD1 4.04Å; M606-I615 HydrophobicContact CE-CG2 4.27Å
607R69.6Low63Low105 Ų105106.9 Ų106.940%0.39655%0.545SS..EExtended strand (participates in β ladder)trans-77.3123.4176.9-67.6-176.9177.8-103.8-20.9109.4M599 F616M599-R607 VanDerWaalsContact O-CZ 3.3Å; M599-R607 PolarHBondContact O-NH1 3.42Å; M599-R607 VanDerWaalsContact O-NH1 3.07Å; M599-R607 PolarHBondContact O-NH2 2.86Å; R607-F616 PolarHBondContact O-N 3.4Å
608S72.8Confident63.8Low66 Ų66105.3 Ų105.346%0.46254%0.541SS..EExtended strand (participates in β ladder)trans-125.5144.3178.662.80000112.5L614S608-L614 CarbonylContact C-O 3.56Å; S608-L614 WeakPolarHBondContact CA-O 3.42Å
609C79.1Confident64.6Low0 Ų0100 Ų1000%054%0.544CS..  trans-70.6122.2174172.60000109.4L611 C612 Q613 L614 F616 I629C609-L611 PolarHBondContact O-N 3.12Å; C609-L611 VanDerWaalsContact O-N 3.17Å; C609-C612 VanDerWaalsContact CB-SG 3.58Å; C609-C612 PolarHBondContact O-N 3.1Å; C609-Q613 VanDerWaalsContact O-CA 3.24Å; C609-Q613 WeakPolarHBondContact O-CA 3.38Å; C609-Q613 PolarHBondContact O-N 2.95Å; C609-L614 PolarHBondContact N-O 2.84Å; C609-F616 HydrophobicContact CB-CE2 4.08Å; C609-I629 HydrophobicContact CB-CG1 4.5Å
610P68.9Low65.9Low76 Ų76102.8 Ų102.849%0.49455%0.553SS.*THydrogen-bonded Turntrans-66.9-21-174.726-34.4000113.5
611L76.1Confident67.2Low91 Ų9199 Ų9948%0.47654%0.542SS..THydrogen-bonded Turntrans-85.3-24.3-176-59.5174.3000113.5C609 I629 H632 L633C609-L611 PolarHBondContact O-N 3.12Å; C609-L611 VanDerWaalsContact O-N 3.17Å; L611-I629 HydrophobicContact CD1-CG2 4.13Å; L611-H632 HydrophobicContact CB-CB 4.16Å; L611-H632 HydrophobicContact CD1-CB 3.55Å; L611-H632 HydrophobicContact CG-CB 4.5Å; L611-L633 HydrophobicContact CD1-CD2 3.81Å; L611-L633 HydrophobicContact CD1-CG 3.93Å
612C80.4Confident68.8Low47 Ų4798 Ų9832%0.31853%0.529SS..THydrogen-bonded Turntrans-135.8-1.4-177.267.90000114.7C609 L614 H628 H632C609-C612 VanDerWaalsContact CB-SG 3.58Å; C609-C612 PolarHBondContact O-N 3.1Å; C612-L614 PolarHBondContact O-N 3.25Å; C612-H628 PolarHBondContact SG-NE2 2.71Å; C612-H628 VanDerWaalsContact SG-NE2 3.36Å; C612-H632 PolarHBondContact SG-NE2 3.33Å
613Q76.1Confident70.2Confident160 Ų16093.8 Ų93.875%0.74851%0.514SS*.  trans57.716.1179.7-58.4173.316.900114.9C609 I615C609-Q613 VanDerWaalsContact O-CA 3.24Å; C609-Q613 WeakPolarHBondContact O-CA 3.38Å; C609-Q613 PolarHBondContact O-N 2.95Å; Q613-I615 PolarHBondContact O-N 2.93Å
614L78.5Confident71.7Confident95 Ų9586.1 Ų86.150%0.49748%0.483SS..  trans-64.6126.9170.4-78.1171.3000110.1S608 C609 C612 F616S608-L614 CarbonylContact C-O 3.56Å; S608-L614 WeakPolarHBondContact CA-O 3.42Å; C609-L614 PolarHBondContact N-O 2.84Å; C612-L614 PolarHBondContact O-N 3.25Å; L614-F616 HydrophobicContact CB-CE2 4.02Å; L614-F616 HydrophobicContact CB-CZ 4.35Å; L614-F616 WeakPolarHBondContact O-CD2 3.31Å; L614-F616 WeakPolarHBondContact O-CE2 3.26Å
615I78.6Confident73.2Confident102 Ų10280.8 Ų80.852%0.52346%0.455SS..EExtended strand (participates in β ladder)trans-93.9130.8-179-52178.8000109.3M606 Q613M606-I615 HydrophobicContact CB-CG2 3.97Å; M606-I615 HydrophobicContact CE-CD1 4.04Å; M606-I615 HydrophobicContact CE-CG2 4.27Å; Q613-I615 PolarHBondContact O-N 2.93Å
616F77.4Confident74.5Confident26 Ų2675.7 Ų75.711%0.11443%0.427CS..EExtended strand (participates in β ladder)trans-110144.1179.3-64.1-93.7000110.3R607 C609 L614 Y620 L625 H628R607-F616 PolarHBondContact O-N 3.4Å; C609-F616 HydrophobicContact CB-CE2 4.08Å; L614-F616 HydrophobicContact CB-CE2 4.02Å; L614-F616 HydrophobicContact CB-CZ 4.35Å; L614-F616 WeakPolarHBondContact O-CD2 3.31Å; L614-F616 WeakPolarHBondContact O-CE2 3.26Å; F616-Y620 HydrophobicContact CB-CD1 4.36Å; F616-Y620 HydrophobicContact CB-CG 4.21Å; F616-Y620 AromaticContact CD1-CD1 3.6Å; F616-Y620 HydrophobicContact CD1-CD1 3.6Å; F616-Y620 HydrophobicContact CD1-CD2 4.08Å; F616-Y620 AromaticContact CD1-CE1 3.59Å; F616-Y620 HydrophobicContact CD1-CE1 3.59Å; F616-Y620 HydrophobicContact CD1-CE2 4.09Å; F616-Y620 AromaticContact CD1-CG 3.84Å; F616-Y620 HydrophobicContact CD1-CG 3.84Å; F616-Y620 AromaticContact CD1-CZ 3.85Å; F616-Y620 HydrophobicContact CE1-CD1 4.25Å; F616-Y620 AromaticContact CE1-CE1 3.77Å; F616-Y620 HydrophobicContact CE1-CE1 3.77Å; F616-Y620 HydrophobicContact CE1-CE2 4.47Å; F616-Y620 AromaticContact CE1-CZ 3.9Å; F616-Y620 HydrophobicContact CG-CD1 4.21Å; F616-Y620 HydrophobicContact CG-CG 4.42Å; F616-L625 HydrophobicContact CD2-CD1 3.62Å; F616-L625 HydrophobicContact CE2-CD1 3.57Å; F616-L625 HydrophobicContact CG-CD1 4.2Å; F616-L625 HydrophobicContact CZ-CD1 4.1Å; F616-H628 AromaticContact CZ-CD2 3.8Å; F616-H628 AromaticContact CZ-NE2 3.99Å
617P73.8Confident75.7Confident91 Ų9177.6 Ų77.659%0.59143%0.432SS*.  trans-69.1150.1179.129-34.8000111.9G619 Y620P617-G619 PolarHBondContact O-N 3.35Å; P617-G619 VanDerWaalsContact O-N 3.1Å; P617-Y620 WeakPolarHBondContact O-CB 3.44Å; P617-Y620 PolarHBondContact O-N 2.84Å
618V61.7Low76.3Confident108 Ų10874.9 Ų74.966%0.65542%0.424SS*.THydrogen-bonded Turntrans-61.8112174.4-174.90000109.3D605D605-V618 WeakPolarHBondContact O-CG2 3.35Å
619G67Low76.6Confident75 Ų7573.2 Ų73.277%0.77341%0.41SS*.THydrogen-bonded Turntrans110.11.9-171.600000115.1P617P617-G619 PolarHBondContact O-N 3.35Å; P617-G619 VanDerWaalsContact O-N 3.1Å
620Y75.6Confident76.7Confident93 Ų9376.6 Ų76.637%0.36543%0.428SS..  trans-63.8131.9164.1-164.9-100000109.8F616 P617 D622 A624 L625F616-Y620 HydrophobicContact CB-CD1 4.36Å; F616-Y620 HydrophobicContact CB-CG 4.21Å; F616-Y620 AromaticContact CD1-CD1 3.6Å; F616-Y620 HydrophobicContact CD1-CD1 3.6Å; F616-Y620 HydrophobicContact CD1-CD2 4.08Å; F616-Y620 AromaticContact CD1-CE1 3.59Å; F616-Y620 HydrophobicContact CD1-CE1 3.59Å; F616-Y620 HydrophobicContact CD1-CE2 4.09Å; F616-Y620 AromaticContact CD1-CG 3.84Å; F616-Y620 HydrophobicContact CD1-CG 3.84Å; F616-Y620 AromaticContact CD1-CZ 3.85Å; F616-Y620 HydrophobicContact CE1-CD1 4.25Å; F616-Y620 AromaticContact CE1-CE1 3.77Å; F616-Y620 HydrophobicContact CE1-CE1 3.77Å; F616-Y620 HydrophobicContact CE1-CE2 4.47Å; F616-Y620 AromaticContact CE1-CZ 3.9Å; F616-Y620 HydrophobicContact CG-CD1 4.21Å; F616-Y620 HydrophobicContact CG-CG 4.42Å; P617-Y620 WeakPolarHBondContact O-CB 3.44Å; P617-Y620 PolarHBondContact O-N 2.84Å; Y620-D622 PolarHBondContact O-N 2.92Å; Y620-A624 HydrophobicContact CD1-CB 4.38Å; Y620-A624 HydrophobicContact CE1-CB 3.56Å; Y620-L625 HydrophobicContact CD1-CB 4.26Å; Y620-L625 HydrophobicContact CE1-CB 4.47Å
621P77.6Confident77.2Confident78 Ų7875.7 Ų75.751%0.50642%0.423SS..  trans-69.1132.3-171.724.5-32.1000112.3D623 A624 L625P621-D623 VanDerWaalsContact C-N 3.31Å; P621-D623 PolarHBondContact O-N 3.37Å; P621-A624 HydrophobicContact CG-CB 3.97Å; P621-A624 WeakPolarHBondContact O-CB 3.43Å; P621-A624 PolarHBondContact O-N 3.3Å; P621-L625 PolarHBondContact O-N 3.45Å
622D77.3Confident77.1Confident75 Ų7574 Ų7440%0.40141%0.413SS..Hα-helixtrans-57.1-41.4-174.4-62.5-39.6000112.4M599 Y620 A624 L625 I626M599-D622 HydrophobicContact CE-CB 4.33Å; Y620-D622 PolarHBondContact O-N 2.92Å; D622-A624 PolarHBondContact O-N 2.87Å; D622-A624 VanDerWaalsContact O-N 3.1Å; D622-L625 PolarHBondContact O-N 2.83Å; D622-I626 WeakPolarHBondContact O-CB 3.4Å; D622-I626 WeakPolarHBondContact O-CG1 3.32Å; D622-I626 PolarHBondContact O-N 2.83Å
623D78.3Confident76.8Confident119 Ų11976 Ų7664%0.63642%0.42SS*.Hα-helixtrans-52.8-32.8174.2-71.3-10.9000113.7P621 K627P621-D623 VanDerWaalsContact C-N 3.31Å; P621-D623 PolarHBondContact O-N 3.37Å; D623-K627 WeakPolarHBondContact O-CB 3.28Å; D623-K627 VanDerWaalsContact O-CD 3.29Å; D623-K627 WeakPolarHBondContact O-CD 3.33Å; D623-K627 WeakPolarHBondContact O-CG 3.28Å; D623-K627 PolarHBondContact O-N 2.9Å
624A77.3Confident76.6Confident30 Ų3075.5 Ų75.525%0.24842%0.417CS..Hα-helixtrans-84.3-32.7179.500000111.9Y620 P621 D622 H628Y620-A624 HydrophobicContact CD1-CB 4.38Å; Y620-A624 HydrophobicContact CE1-CB 3.56Å; P621-A624 HydrophobicContact CG-CB 3.97Å; P621-A624 WeakPolarHBondContact O-CB 3.43Å; P621-A624 PolarHBondContact O-N 3.3Å; D622-A624 PolarHBondContact O-N 2.87Å; D622-A624 VanDerWaalsContact O-N 3.1Å; A624-H628 WeakPolarHBondContact O-CB 3.35Å; A624-H628 PolarHBondContact O-N 3.35Å
625L80Confident75.6Confident11 Ų1176.6 Ų76.66%0.05842%0.424CS..Hα-helixtrans-69.3-42.5173.2-179.157.8000111.2M599 F616 Y620 P621 D622 H628 I629M599-L625 HydrophobicContact SD-CD2 4.5Å; F616-L625 HydrophobicContact CD2-CD1 3.62Å; F616-L625 HydrophobicContact CE2-CD1 3.57Å; F616-L625 HydrophobicContact CG-CD1 4.2Å; F616-L625 HydrophobicContact CZ-CD1 4.1Å; Y620-L625 HydrophobicContact CD1-CB 4.26Å; Y620-L625 HydrophobicContact CE1-CB 4.47Å; P621-L625 PolarHBondContact O-N 3.45Å; D622-L625 PolarHBondContact O-N 2.83Å; L625-H628 WeakPolarHBondContact O-CB 3.36Å; L625-H628 PolarHBondContact O-N 2.81Å; L625-I629 HydrophobicContact CD1-CD1 4.34Å; L625-I629 HydrophobicContact CG-CD1 4.19Å; L625-I629 WeakPolarHBondContact O-CG1 3.19Å; L625-I629 PolarHBondContact O-N 3.35Å
626I81.5Confident74.6Confident39 Ų3975.9 Ų75.920%0.243%0.428CS..Hα-helixtrans-61.7-50.3175.5-66.6166.4000109.8I595 D622 H628 I629 D630I595-I626 HydrophobicContact CG2-CD1 4.33Å; I595-I626 HydrophobicContact CG2-CG1 4.29Å; D622-I626 WeakPolarHBondContact O-CB 3.4Å; D622-I626 WeakPolarHBondContact O-CG1 3.32Å; D622-I626 PolarHBondContact O-N 2.83Å; I626-H628 PolarHBondContact O-N 3.44Å; I626-I629 PolarHBondContact O-N 3.05Å; I626-D630 PolarHBondContact O-N 2.75Å
627K81.3Confident73.3Confident143 Ų14383.1 Ų83.162%0.62246%0.459SS*.Hα-helixtrans-57.9-32.9174.1-76.1168.6-172.8161.10113.7D623 S631D623-K627 WeakPolarHBondContact O-CB 3.28Å; D623-K627 VanDerWaalsContact O-CD 3.29Å; D623-K627 WeakPolarHBondContact O-CD 3.33Å; D623-K627 WeakPolarHBondContact O-CG 3.28Å; D623-K627 PolarHBondContact O-N 2.9Å; K627-S631 WeakPolarHBondContact O-CB 3.33Å; K627-S631 PolarHBondContact O-N 3.27Å
628H82.1Confident71.6Confident48 Ų4889.6 Ų89.622%0.22249%0.486CS..Hα-helixtrans-68.1-43.8174.4178.482.7000111.6C612 F616 A624 L625 I626 S631 H632C612-H628 PolarHBondContact SG-NE2 2.71Å; C612-H628 VanDerWaalsContact SG-NE2 3.36Å; F616-H628 AromaticContact CZ-CD2 3.8Å; F616-H628 AromaticContact CZ-NE2 3.99Å; A624-H628 WeakPolarHBondContact O-CB 3.35Å; A624-H628 PolarHBondContact O-N 3.35Å; L625-H628 WeakPolarHBondContact O-CB 3.36Å; L625-H628 PolarHBondContact O-N 2.81Å; I626-H628 PolarHBondContact O-N 3.44Å; H628-S631 PolarHBondContact O-N 3.33Å; H628-H632 AromaticContact CD2-CD2 3.88Å; H628-H632 AromaticContact CD2-NE2 3.67Å; H628-H632 AromaticContact CE1-NE2 3.36Å; H628-H632 PolarHBondContact CE1-NE2 2.61Å; H628-H632 AromaticContact NE2-CD2 3.68Å; H628-H632 AromaticContact NE2-NE2 3Å; H628-H632 PolarHBondContact NE2-NE2 2.96Å; H628-H632 PolarHBondContact O-CD2 3.49Å; H628-H632 PolarHBondContact O-N 2.85Å
629I80.9Confident72.1Confident30 Ų3088.7 Ų88.715%0.15448%0.478CS..Hα-helixtrans-65.4-46.3176-66.7164.2000110.7C609 L611 L625 I626 S631 H632 L633C609-I629 HydrophobicContact CB-CG1 4.5Å; L611-I629 HydrophobicContact CD1-CG2 4.13Å; L625-I629 HydrophobicContact CD1-CD1 4.34Å; L625-I629 HydrophobicContact CG-CD1 4.19Å; L625-I629 WeakPolarHBondContact O-CG1 3.19Å; L625-I629 PolarHBondContact O-N 3.35Å; I626-I629 PolarHBondContact O-N 3.05Å; I629-S631 VanDerWaalsContact C-N 3.28Å; I629-S631 PolarHBondContact O-N 3.48Å; I629-H632 WeakPolarHBondContact O-CB 3.38Å; I629-H632 PolarHBondContact O-N 3.36Å; I629-L633 HydrophobicContact CG2-CD1 4.19Å; I629-L633 PolarHBondContact O-N 2.86Å
630D79.9Confident72.4Confident71 Ų7189.4 Ų89.438%0.3846%0.462SS..Hα-helixtrans-58.9-39.1177.1-71.9-24.1000111.8I626 H632 L633 E634I626-D630 PolarHBondContact O-N 2.75Å; D630-H632 VanDerWaalsContact C-N 3.31Å; D630-H632 PolarHBondContact O-N 2.95Å; D630-L633 PolarHBondContact O-N 2.88Å; D630-L633 VanDerWaalsContact O-N 3.14Å; D630-E634 WeakPolarHBondContact O-CB 3.49Å; D630-E634 PolarHBondContact O-N 3.44Å
631S79.2Confident72.2Confident57 Ų5789.2 Ų89.240%0.39947%0.468SS..Hα-helixtrans-62.1-36175.1-1710000112.7K627 H628 I629 N635K627-S631 WeakPolarHBondContact O-CB 3.33Å; K627-S631 PolarHBondContact O-N 3.27Å; H628-S631 PolarHBondContact O-N 3.33Å; I629-S631 VanDerWaalsContact C-N 3.28Å; I629-S631 PolarHBondContact O-N 3.48Å; S631-N635 VanDerWaalsContact O-CB 3.3Å; S631-N635 WeakPolarHBondContact O-CB 2.95Å; S631-N635 VanDerWaalsContact O-CG 3.31Å; S631-N635 PolarHBondContact O-N 2.84Å; S631-N635 VanDerWaalsContact O-N 3.09Å; S631-N635 PolarHBondContact O-ND2 3.18Å; S631-N635 PolarHBondContact OG-ND2 3.33Å
632H74.3Confident71.9Confident55 Ų5589.8 Ų89.826%0.25547%0.466SS..Hα-helixtrans-68.9-40.6172.4-70-70.5000111.6L611 C612 H628 I629 D630 S636L611-H632 HydrophobicContact CB-CB 4.16Å; L611-H632 HydrophobicContact CD1-CB 3.55Å; L611-H632 HydrophobicContact CG-CB 4.5Å; C612-H632 PolarHBondContact SG-NE2 3.33Å; H628-H632 AromaticContact CD2-CD2 3.88Å; H628-H632 AromaticContact CD2-NE2 3.67Å; H628-H632 AromaticContact CE1-NE2 3.36Å; H628-H632 PolarHBondContact CE1-NE2 2.61Å; H628-H632 AromaticContact NE2-CD2 3.68Å; H628-H632 AromaticContact NE2-NE2 3Å; H628-H632 PolarHBondContact NE2-NE2 2.96Å; H628-H632 PolarHBondContact O-CD2 3.49Å; H628-H632 PolarHBondContact O-N 2.85Å; I629-H632 WeakPolarHBondContact O-CB 3.38Å; I629-H632 PolarHBondContact O-N 3.36Å; D630-H632 VanDerWaalsContact C-N 3.31Å; D630-H632 PolarHBondContact O-N 2.95Å; H632-S636 VanDerWaalsContact O-CB 3.26Å; H632-S636 WeakPolarHBondContact O-CB 3.45Å; H632-S636 PolarHBondContact O-N 3.11Å; H632-S636 PolarHBondContact O-OG 3.04Å
633L75.3Confident71.6Confident90 Ų9090.8 Ų90.847%0.47147%0.47SS..Hα-helixtrans-68-37.1179.4-66.7175.3000112.6L611 I629 D630 S636L611-L633 HydrophobicContact CD1-CD2 3.81Å; L611-L633 HydrophobicContact CD1-CG 3.93Å; I629-L633 HydrophobicContact CG2-CD1 4.19Å; I629-L633 PolarHBondContact O-N 2.86Å; D630-L633 PolarHBondContact O-N 2.88Å; D630-L633 VanDerWaalsContact O-N 3.14Å; L633-S636 PolarHBondContact O-N 3.21Å
634E71.2Confident71.1Confident149 Ų14988.9 Ų88.970%0.69646%0.459SS*.Hα-helixtrans-71.1-41.5176.6-169.1167.2-142.700111.6D630 S636 K637D630-E634 WeakPolarHBondContact O-CB 3.49Å; D630-E634 PolarHBondContact O-N 3.44Å; E634-S636 PolarHBondContact O-N 3.47Å; E634-K637 PolarHBondContact O-N 3.37Å
635N57.9Low70.7Confident119 Ų11993.1 Ų93.164%0.63647%0.474SS*.Hα-helixtrans-70.1-18.3172.7-74.4-52.6000113.6S631 K637S631-N635 VanDerWaalsContact O-CB 3.3Å; S631-N635 WeakPolarHBondContact O-CB 2.95Å; S631-N635 VanDerWaalsContact O-CG 3.31Å; S631-N635 PolarHBondContact O-N 2.84Å; S631-N635 VanDerWaalsContact O-N 3.09Å; S631-N635 PolarHBondContact O-ND2 3.18Å; S631-N635 PolarHBondContact OG-ND2 3.33Å; N635-K637 VanDerWaalsContact C-N 3.29Å; N635-K637 PolarHBondContact O-N 3.34Å
636S56.8Low70Confident86 Ų8699.4 Ų99.460%0.60151%0.506SS*.THydrogen-bonded Turntrans-84.84.7176.9-61.60000113.8H632 L633 E634 I638H632-S636 VanDerWaalsContact O-CB 3.26Å; H632-S636 WeakPolarHBondContact O-CB 3.45Å; H632-S636 PolarHBondContact O-N 3.11Å; H632-S636 PolarHBondContact O-OG 3.04Å; L633-S636 PolarHBondContact O-N 3.21Å; E634-S636 PolarHBondContact O-N 3.47Å; S636-I638 VanDerWaalsContact C-N 3.28Å; S636-I638 PolarHBondContact O-N 3.22Å; S636-I638 VanDerWaalsContact O-N 3.17Å
637K50.1Low69Low179 Ų179104.4 Ų104.478%0.77853%0.531SS*.  trans-84.965.5169.6-72.8-179.7177.3170.30111.5E634 N635E634-K637 PolarHBondContact O-N 3.37Å; N635-K637 VanDerWaalsContact C-N 3.29Å; N635-K637 PolarHBondContact O-N 3.34Å
638I39.3Very low67.9Low226 Ų226100.9 Ų100.9100%1.15952%0.523SS*.  trans-135.70165.9-55.6-176.9000108.9S636S636-I638 VanDerWaalsContact C-N 3.28Å; S636-I638 PolarHBondContact O-N 3.22Å; S636-I638 VanDerWaalsContact O-N 3.17Å

Retrieved 638 of 638 residues in 123.4 ms (Link to these results)