A0A096NS10_PAPAN Loading...

Ess-2 splicing factor homolog

AlphaFold DB , UniProt , Accession A0A096NS10, Species PAPAN (Papio anubis, Olive baboon), Gene ESS2, Length 476 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
1M39.2Very low41.4Very low237 Ų237130.3 Ų130.3100%1.16784%0.844SS**  086.30-70.9-176.2173.900106
2E38.3Very low40.9Very low175 Ų175133.1 Ų133.182%0.81885%0.845SS**  7089.892.2-71.1-160.6159.500112.7
3T46.9Very low41.1Very low130 Ų130135.6 Ų135.680%0.79885%0.847SS**  52.8175.2128.865.70000120.7
4P55.4Low40.9Very low121 Ų121134.7 Ų134.779%0.78684%0.844SS**  -125.9169.9-78.339-20.5000111
5G34.8Very low40.6Very low81 Ų81132.5 Ų132.584%0.83584%0.844SS**  99.981.384.700000112.6
6A44.8Very low40.3Very low110 Ų110130.4 Ų130.491%0.90984%0.842SS**  trans-94125.3162.900000108.8
7S40.3Very low40Very low122 Ų122129.6 Ų129.685%0.85384%0.841SS**  trans-147.7124166.1-176.80000108.9
8G38.1Very low39.9Very low66 Ų66135.3 Ų135.368%0.6884%0.843SS**  trans-99.7171.7171.300000112.1
9S36.3Very low39.8Very low120 Ų120134.2 Ų134.284%0.83984%0.837SS**  trans84.2108.4163.3-152.20000117.1
10S35Very low39.5Very low104 Ų104133.8 Ų133.873%0.72784%0.836SS**  -175.2135.6106.158.80000111.3
11L46Very low39.2Very low167 Ų167139 Ų13987%0.87484%0.84SS**  trans-49.4133.6174.1-69.8133.2000113.8
12L35.3Very low38.8Very low164 Ų164137.4 Ų137.486%0.85983%0.826SS**  trans-143.9106.1160.3-97.4153.6000109.3
13L43.7Very low38.5Very low166 Ų166140.6 Ų140.687%0.86983%0.831SS**PPolyproline II helixtrans-71.5137.7165.3-79.2150.8000109.7
14P39.1Very low37.6Very low123 Ų123143.3 Ų143.380%0.79984%0.835SS**PPolyproline II helixtrans-97.5125.7155.1152.4000110.4
15A35.3Very low36.4Very low102 Ų102142.8 Ų142.884%0.84384%0.84SS**PPolyproline II helixtrans-63.5135177.900000112.2S17A15-S17 PolarHBondContact O-N 3.05Å
16A36.7Very low36.1Very low98 Ų98142 Ų14281%0.8183%0.833SS**  trans-67.4115.7172.900000110.9R18A16-R18 PolarHBondContact O-N 3.42Å
17S34.4Very low35.5Very low118 Ų118145.8 Ų145.883%0.82583%0.832SS**  trans-73.7101.6168.7570000110.1A15A15-S17 PolarHBondContact O-N 3.05Å
18R37.8Very low35Very low232 Ų232144.8 Ų144.888%0.87583%0.831SS**PPolyproline II helixtrans-75135.9166.3-80.1179.6169.3-179.4-2.5109.7A16A16-R18 PolarHBondContact O-N 3.42Å
19P38.1Very low34.8Very low113 Ų113144.8 Ų144.873%0.73483%0.831SS**PPolyproline II helixtrans-71.3149.3173.730.1-32.9000110.5R21P19-R21 PolarHBondContact O-N 3.24Å
20P34Very low34.8Very low126 Ų126142.8 Ų142.882%0.81882%0.821SS**PPolyproline II helixtrans-70.1122.3178.928.7-31.7000109.5K22P20-K22 PolarHBondContact O-N 3.35Å
21R34.4Very low35Very low244 Ų244141.6 Ų141.692%0.92182%0.818SS**  trans-60.7109.3167.1-76.8-179.6172.4178.3-4.3108.4P19 R23P19-R21 PolarHBondContact O-N 3.24Å; R21-R23 PolarHBondContact O-N 3.31Å; R21-R23 VanDerWaalsContact O-N 3.15Å
22K30.7Very low35.4Very low203 Ų203138.4 Ų138.488%0.88381%0.805SS**  trans-56114.1160-89.4178.7172.7178.40107.1P20 E24P20-K22 PolarHBondContact O-N 3.35Å; K22-E24 PolarHBondContact O-N 3.37Å
23R31.8Very low36.3Very low243 Ų243133.7 Ų133.792%0.91779%0.786SS**  trans-69.8119165.6-72.1-179.8177173.6-2.1106.8R21R21-R23 PolarHBondContact O-N 3.31Å; R21-R23 VanDerWaalsContact O-N 3.15Å
24E27.8Very low37.5Very low186 Ų186135.5 Ų135.587%0.86979%0.787SS**  trans-58.1133.6169.7-68.3173.7173.300109K22 G26K22-E24 PolarHBondContact O-N 3.37Å; E24-G26 PolarHBondContact O-N 3.32Å
25A30Very low39.6Very low110 Ų110132.4 Ų132.491%0.90976%0.762SS**  trans-72.282.2173.900000108.7
26G29Very low42.2Very low65 Ų65136.1 Ų136.167%0.6775%0.754SS**  trans-72.5137.5158.900000109.1E24 A28E24-G26 PolarHBondContact O-N 3.32Å; G26-A28 PolarHBondContact O-N 3.24Å; G26-A28 VanDerWaalsContact O-N 3.08Å
27E32.6Very low44.8Very low190 Ų190135.2 Ų135.289%0.88874%0.738SS**  trans-33.3112.5173.5-102.9174.8153.100111.8G29E27-G29 VanDerWaalsContact C-N 3.27Å; E27-G29 PolarHBondContact O-N 3.35Å
28A29.2Very low47.6Very low101 Ų101131.3 Ų131.384%0.83571%0.708SS**  trans-67.793.2168.200000107.2G26 A30G26-A28 PolarHBondContact O-N 3.24Å; G26-A28 VanDerWaalsContact O-N 3.08Å; A28-A30 PolarHBondContact O-N 3.47Å
29G32.8Very low50.3Low66 Ų66124.8 Ų124.868%0.6869%0.69SS**  trans-48.3127.5159.300000107.7E27 A31E27-G29 VanDerWaalsContact C-N 3.27Å; E27-G29 PolarHBondContact O-N 3.35Å; G29-A31 PolarHBondContact O-N 3.17Å
30A37.6Very low52.9Low78 Ų78122.4 Ų122.465%0.64567%0.669SS**  trans-44.7106.9-174.800000109.9A28 T32A28-A30 PolarHBondContact O-N 3.47Å; A30-T32 VanDerWaalsContact C-N 3.26Å; A30-T32 PolarHBondContact O-N 3.07Å
31A38.7Very low55.8Low79 Ų79123.8 Ų123.865%0.65367%0.665SS**  trans-68.695172.400000106.2G29 S33G29-A31 PolarHBondContact O-N 3.17Å; A31-S33 PolarHBondContact O-N 3.28Å
32T53.8Low58.6Low100 Ų100117 Ų11761%0.61364%0.644SS**  trans-47.8124.7158.149.30000105.5A30 K34A30-T32 VanDerWaalsContact C-N 3.26Å; A30-T32 PolarHBondContact O-N 3.07Å; T32-K34 PolarHBondContact O-N 3.43Å
33S55.3Low61.6Low64 Ų64109.1 Ų109.145%0.44861%0.609SS.*  trans-52118.5172.243.50000105.9A31 Q35A31-S33 PolarHBondContact O-N 3.28Å; S33-Q35 PolarHBondContact O-N 2.66Å
34K68.1Low64.5Low204 Ų204101.3 Ų101.389%0.88759%0.585SS**  trans-61.189.2-173.2-63.7-178.1180-173.10108.9T32T32-K34 PolarHBondContact O-N 3.43Å
35Q84.8Confident67.6Low58 Ų5898.3 Ų98.327%0.27157%0.57SS.*PPolyproline II helixtrans-60.9140.9169.3-75.5167.7-3400106.8S33 V37 L152 R154 T156S33-Q35 PolarHBondContact O-N 2.66Å; Q35-V37 PolarHBondContact O-N 3.48Å; Q35-L152 PolarHBondContact NE2-O 3.05Å; Q35-R154 CarbonylContact C-O 3.58Å; Q35-R154 WeakPolarHBondContact CA-O 3.22Å; Q35-T156 HydrophobicContact CB-CG2 3.66Å
36R89.1Confident70.6Confident180 Ų18093.5 Ų93.568%0.67953%0.532SS*.EExtended strand (participates in β ladder)trans-71.9121.2171.5-72.8-173.8176.9-169.2-0.5107.7R154 Y155 T156R36-R154 PolarHBondContact N-O 3.47Å; R36-Y155 HydrophobicContact CB-CD1 3.83Å; R36-Y155 HydrophobicContact CB-CE1 4.15Å; R36-Y155 VanDerWaalsContact O-CA 3.3Å; R36-Y155 WeakPolarHBondContact O-CA 3.31Å; R36-T156 PolarHBondContact O-N 3.33Å
37V92.1Very high73.6Confident80 Ų8092.3 Ų92.349%0.48551%0.51SS..EExtended strand (participates in β ladder)trans-72.8126.6172.8-171.60000107.5Q35 T156 E158 A161Q35-V37 PolarHBondContact O-N 3.48Å; V37-T156 WeakPolarHBondContact CA-O 3.49Å; V37-T156 HydrophobicContact CB-CG2 4.41Å; V37-T156 HydrophobicContact CG2-CG2 3.89Å; V37-E158 HydrophobicContact CG1-CB 4.23Å; V37-A161 HydrophobicContact CB-CB 4.5Å; V37-A161 HydrophobicContact CG1-CB 3.88Å; V37-A161 HydrophobicContact CG2-CB 3.73Å
38L92.3Very high76.4Confident36 Ų3688.2 Ų88.219%0.18849%0.491CS..EExtended strand (participates in β ladder)trans-113.4151.7171.8-67.2178.1000108.9Y43 F151 Y155 T156 S157 E158L38-Y43 HydrophobicContact CD1-CD2 4.44Å; L38-F151 HydrophobicContact CD1-CZ 4.37Å; L38-Y155 HydrophobicContact CD1-CD1 3.46Å; L38-Y155 VanDerWaalsContact CD1-CD1 3.46Å; L38-Y155 HydrophobicContact CD1-CE1 4.09Å; L38-Y155 HydrophobicContact CD1-CG 3.85Å; L38-Y155 HydrophobicContact CD2-CD1 4.17Å; L38-Y155 HydrophobicContact CD2-CE1 4.4Å; L38-Y155 HydrophobicContact CG-CD1 3.73Å; L38-Y155 HydrophobicContact CG-CE1 4.42Å; L38-Y155 HydrophobicContact CG-CG 4.45Å; L38-T156 PolarHBondContact N-O 2.97Å; L38-S157 CarbonylContact O-C 2.88Å; L38-E158 PolarHBondContact O-N 3.47Å
39D94.9Very high79.4Confident94 Ų9487.1 Ų87.150%0.50347%0.474SS..  trans-58.7147.6171.6-65-0.3000109.2E41 E42 Y43D39-E41 VanDerWaalsContact C-N 3.3Å; D39-E41 PolarHBondContact O-N 3.3Å; D39-E42 HydrophobicContact CB-CB 4.48Å; D39-E42 HydrophobicContact CB-CG 4.24Å; D39-E42 PolarHBondContact O-N 3.25Å; D39-Y43 WeakPolarHBondContact O-CB 3.31Å; D39-Y43 PolarHBondContact O-N 3.5Å
40E92.5Very high82.2Confident63 Ų6384.1 Ų84.129%0.29444%0.442SS..Hα-helixtrans-59-42.3-171.4-17863.7-172.600112.3Y43 I44 S157E40-Y43 PolarHBondContact O-N 3.18Å; E40-I44 HydrophobicContact CG-CD1 3.84Å; E40-I44 HydrophobicContact CG-CG1 4.49Å; E40-I44 WeakPolarHBondContact O-CB 3.16Å; E40-I44 VanDerWaalsContact O-CG1 3.23Å; E40-I44 WeakPolarHBondContact O-CG1 3.48Å; E40-I44 PolarHBondContact O-N 3.41Å; E40-I44 WeakPolarHBondContact OE1-CD1 3.11Å; E40-S157 WeakPolarHBondContact OE2-CB 3.34Å
41E93.8Very high84.8Confident155 Ų15583 Ų8372%0.72443%0.425SS*.Hα-helixtrans-63.2-47.6178.3-63-176.3174.700110.8D39 Y43 I44 E45D39-E41 VanDerWaalsContact C-N 3.3Å; D39-E41 PolarHBondContact O-N 3.3Å; E41-Y43 VanDerWaalsContact C-N 3.34Å; E41-Y43 PolarHBondContact O-N 2.72Å; E41-I44 PolarHBondContact O-N 3.02Å; E41-E45 WeakPolarHBondContact O-CB 3.23Å; E41-E45 VanDerWaalsContact O-CG 3.27Å; E41-E45 WeakPolarHBondContact O-CG 3.49Å; E41-E45 PolarHBondContact O-N 2.89Å
42E93.2Very high87.3Confident103 Ų10381.3 Ų81.348%0.48140%0.404SS..Hα-helixtrans-65-37.3178.5-62.2-170.1161.300112.6D39 G46D39-E42 HydrophobicContact CB-CB 4.48Å; D39-E42 HydrophobicContact CB-CG 4.24Å; D39-E42 PolarHBondContact O-N 3.25Å; E42-G46 PolarHBondContact O-N 3.41Å
43Y93.4Very high88.9Confident36 Ų3682 Ų8214%0.14140%0.395CS..Hα-helixtrans-66.8-46177.4-179.9-98.5000111.2L38 D39 E40 E41 L47 F151 L152L38-Y43 HydrophobicContact CD1-CD2 4.44Å; D39-Y43 WeakPolarHBondContact O-CB 3.31Å; D39-Y43 PolarHBondContact O-N 3.5Å; E40-Y43 PolarHBondContact O-N 3.18Å; E41-Y43 VanDerWaalsContact C-N 3.34Å; E41-Y43 PolarHBondContact O-N 2.72Å; Y43-L47 HydrophobicContact CE1-CD2 4.16Å; Y43-L47 WeakPolarHBondContact O-CB 3.41Å; Y43-L47 PolarHBondContact O-N 3.47Å; Y43-F151 AromaticContact CD2-CE1 3.99Å; Y43-F151 HydrophobicContact CD2-CE1 3.99Å; Y43-F151 HydrophobicContact CD2-CZ 4.22Å; Y43-F151 AromaticContact CE2-CE1 3.74Å; Y43-F151 HydrophobicContact CE2-CE1 3.74Å; Y43-F151 HydrophobicContact CE2-CZ 4.39Å; Y43-L152 WeakPolarHBondContact OH-CD2 3.34Å
44I93.6Very high90.5Very high80 Ų8082.2 Ų82.241%0.4139%0.391SS..Hα-helixtrans-64.2-45.9177.2-68.3168.4000110.2E40 E41 L47 Q48E40-I44 HydrophobicContact CG-CD1 3.84Å; E40-I44 HydrophobicContact CG-CG1 4.49Å; E40-I44 WeakPolarHBondContact O-CB 3.16Å; E40-I44 VanDerWaalsContact O-CG1 3.23Å; E40-I44 WeakPolarHBondContact O-CG1 3.48Å; E40-I44 PolarHBondContact O-N 3.41Å; E40-I44 WeakPolarHBondContact OE1-CD1 3.11Å; E41-I44 PolarHBondContact O-N 3.02Å; I44-L47 PolarHBondContact O-N 3.23Å; I44-Q48 WeakPolarHBondContact O-CB 3.22Å; I44-Q48 PolarHBondContact O-N 3.35Å
45E93.6Very high91.5Very high122 Ų12278.4 Ų78.457%0.5738%0.375SS*.Hα-helixtrans-60-50.3177.8-76.5-178.1178.800111.1E41 L47 Q48 T49E41-E45 WeakPolarHBondContact O-CB 3.23Å; E41-E45 VanDerWaalsContact O-CG 3.27Å; E41-E45 WeakPolarHBondContact O-CG 3.49Å; E41-E45 PolarHBondContact O-N 2.89Å; E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 2.82Å; E45-Q48 PolarHBondContact O-N 3.46Å; E45-T49 PolarHBondContact O-N 3.36Å; E45-T49 PolarHBondContact O-OG1 3.05Å
46G91.8Very high91.8Very high10 Ų1081.2 Ų81.210%0.10339%0.386CS..Hα-helixtrans-59.2-43.4177.200000112.4E42 T49 V50 L145E42-G46 PolarHBondContact O-N 3.41Å; G46-T49 PolarHBondContact O-N 2.93Å; G46-V50 VanDerWaalsContact O-CG2 3.26Å; G46-V50 WeakPolarHBondContact O-CG2 3.37Å; G46-V50 PolarHBondContact O-N 3.39Å; G46-V50 VanDerWaalsContact O-N 3.09Å; G46-L145 WeakPolarHBondContact O-CD1 3.45Å
47L92.1Very high91.7Very high40 Ų4076.8 Ų76.821%0.20938%0.381CS..Hα-helixtrans-64.3-43176.8-175.163.3000111.7Y43 I44 E45 V50 I51 L148 F151 L152Y43-L47 HydrophobicContact CE1-CD2 4.16Å; Y43-L47 WeakPolarHBondContact O-CB 3.41Å; Y43-L47 PolarHBondContact O-N 3.47Å; I44-L47 PolarHBondContact O-N 3.23Å; E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 2.82Å; L47-V50 PolarHBondContact O-N 3.12Å; L47-I51 HydrophobicContact CD1-CD1 4.04Å; L47-I51 HydrophobicContact CD1-CG1 4.43Å; L47-I51 HydrophobicContact CG-CD1 3.83Å; L47-I51 WeakPolarHBondContact O-CB 3.35Å; L47-I51 VanDerWaalsContact O-CG1 3.27Å; L47-I51 WeakPolarHBondContact O-CG1 3.38Å; L47-I51 PolarHBondContact O-N 3.34Å; L47-L148 HydrophobicContact CD1-CD1 3.39Å; L47-F151 HydrophobicContact CB-CE1 4.07Å; L47-F151 HydrophobicContact CD1-CD1 4.16Å; L47-F151 HydrophobicContact CD1-CE1 4.29Å; L47-L152 HydrophobicContact CD1-CD2 3.94Å
48Q92Very high91.5Very high103 Ų10376.9 Ų76.948%0.48138%0.378SS..Hα-helixtrans-61.7-47.3177.8177.6176.9-50.500111I44 E45 V50 I51 Q52I44-Q48 WeakPolarHBondContact O-CB 3.22Å; I44-Q48 PolarHBondContact O-N 3.35Å; E45-Q48 PolarHBondContact O-N 3.46Å; Q48-V50 VanDerWaalsContact C-N 3.33Å; Q48-V50 PolarHBondContact O-N 3.28Å; Q48-I51 PolarHBondContact O-N 3.18Å; Q48-Q52 HydrophobicContact CG-CG 4.3Å; Q48-Q52 WeakPolarHBondContact O-CB 3.38Å; Q48-Q52 VanDerWaalsContact O-CG 3.28Å; Q48-Q52 WeakPolarHBondContact O-CG 3.35Å; Q48-Q52 PolarHBondContact O-N 2.89Å
49T92.2Very high91.3Very high79 Ų7977 Ų7749%0.48538%0.38SS..Hα-helixtrans-60.5-42.7177.8-55.80000111.5E45 G46 R53 L145E45-T49 PolarHBondContact O-N 3.36Å; E45-T49 PolarHBondContact O-OG1 3.05Å; G46-T49 PolarHBondContact O-N 2.93Å; T49-R53 WeakPolarHBondContact O-CB 3.42Å; T49-R53 PolarHBondContact O-N 3.14Å; T49-L145 HydrophobicContact CG2-CD1 4.33Å
50V91.5Very high90.9Very high2 Ų278 Ų781%0.01238%0.382CS..Hα-helixtrans-65.5-44.3177.7175.10000111.4G46 L47 Q48 R53 D54 L145 L148 F151G46-V50 VanDerWaalsContact O-CG2 3.26Å; G46-V50 WeakPolarHBondContact O-CG2 3.37Å; G46-V50 PolarHBondContact O-N 3.39Å; G46-V50 VanDerWaalsContact O-N 3.09Å; L47-V50 PolarHBondContact O-N 3.12Å; Q48-V50 VanDerWaalsContact C-N 3.33Å; Q48-V50 PolarHBondContact O-N 3.28Å; V50-R53 PolarHBondContact O-N 3.34Å; V50-D54 WeakPolarHBondContact O-CB 3.37Å; V50-D54 PolarHBondContact O-N 3.29Å; V50-L145 HydrophobicContact CG2-CB 3.46Å; V50-L145 VanDerWaalsContact CG2-CB 3.46Å; V50-L145 HydrophobicContact CG2-CD1 3.89Å; V50-L145 HydrophobicContact CG2-CG 4.29Å; V50-L148 HydrophobicContact CG1-CB 3.91Å; V50-L148 HydrophobicContact CG1-CD1 4.24Å; V50-F151 HydrophobicContact CG2-CD2 4.49Å
51I91.3Very high90.6Very high54 Ų5479.7 Ų79.728%0.27739%0.389SS..Hα-helixtrans-66-43.8179.1-70.2170.8000111.4L47 Q48 D54 F55 F56 L148L47-I51 HydrophobicContact CD1-CD1 4.04Å; L47-I51 HydrophobicContact CD1-CG1 4.43Å; L47-I51 HydrophobicContact CG-CD1 3.83Å; L47-I51 WeakPolarHBondContact O-CB 3.35Å; L47-I51 VanDerWaalsContact O-CG1 3.27Å; L47-I51 WeakPolarHBondContact O-CG1 3.38Å; L47-I51 PolarHBondContact O-N 3.34Å; Q48-I51 PolarHBondContact O-N 3.18Å; I51-D54 PolarHBondContact O-N 2.89Å; I51-F55 HydrophobicContact CG2-CD2 4.49Å; I51-F55 WeakPolarHBondContact O-CB 3.41Å; I51-F55 PolarHBondContact O-N 3.29Å; I51-F56 HydrophobicContact CG2-CD2 3.84Å; I51-F56 HydrophobicContact CG2-CE2 3.94Å; I51-F56 PolarHBondContact O-N 2.94Å; I51-L148 HydrophobicContact CG1-CD1 4.05Å; I51-L148 HydrophobicContact CG1-CD2 4.37Å
52Q91.4Very high90.3Very high45 Ų4577.3 Ų77.321%0.2138%0.38CS..Hα-helixtrans-61.1-45.8177.8-75.1177-0.200110.9Q48 F56Q48-Q52 HydrophobicContact CG-CG 4.3Å; Q48-Q52 WeakPolarHBondContact O-CB 3.38Å; Q48-Q52 VanDerWaalsContact O-CG 3.28Å; Q48-Q52 WeakPolarHBondContact O-CG 3.35Å; Q48-Q52 PolarHBondContact O-N 2.89Å; Q52-F56 CarbonylContact O-C 3.34Å; Q52-F56 WeakPolarHBondContact O-CA 3.4Å; Q52-F56 PolarHBondContact O-N 3.27Å; Q52-F56 VanDerWaalsContact O-N 3.09Å; Q52-F56 VanDerWaalsContact O-O 3.07Å
53R87.9Confident90.1Very high115 Ų11576.9 Ų76.943%0.43438%0.378SS..Hα-helixtrans-61.8-47.7177.4-171.8-16569.9-163.3-11.3112.7T49 V50 L145 P146T49-R53 WeakPolarHBondContact O-CB 3.42Å; T49-R53 PolarHBondContact O-N 3.14Å; V50-R53 PolarHBondContact O-N 3.34Å; R53-L145 PolarHBondContact NH1-O 3.24Å; R53-L145 PolarHBondContact NH2-O 3.17Å; R53-P146 PolarHBondContact NH2-O 3.26Å
54D88.9Confident89.9Confident67 Ų6775.2 Ų75.236%0.35837%0.372SS..Hα-helixtrans-85.5-34.2-168.6-69.5-5.3000113V50 I51V50-D54 WeakPolarHBondContact O-CB 3.37Å; V50-D54 PolarHBondContact O-N 3.29Å; I51-D54 PolarHBondContact O-N 2.89Å
55F89.6Confident89.6Confident125 Ų12575 Ų7555%0.54837%0.369SS..Hα-helixtrans-115.7-24.4-172.8-64.5-88000114.1I51 L148I51-F55 HydrophobicContact CG2-CD2 4.49Å; I51-F55 WeakPolarHBondContact O-CB 3.41Å; I51-F55 PolarHBondContact O-N 3.29Å; F55-L148 HydrophobicContact CE2-CB 4.42Å; F55-L148 HydrophobicContact CE2-CD2 3.68Å; F55-L148 HydrophobicContact CZ-CD2 4.22Å
56F90.6Very high89.5Confident117 Ų11775.1 Ų75.151%0.51337%0.368SS..  trans-136.257.6-172.9-58.8-79.3000113.7I51 Q52 D58 V59I51-F56 HydrophobicContact CG2-CD2 3.84Å; I51-F56 HydrophobicContact CG2-CE2 3.94Å; I51-F56 PolarHBondContact O-N 2.94Å; Q52-F56 CarbonylContact O-C 3.34Å; Q52-F56 WeakPolarHBondContact O-CA 3.4Å; Q52-F56 PolarHBondContact O-N 3.27Å; Q52-F56 VanDerWaalsContact O-N 3.09Å; Q52-F56 VanDerWaalsContact O-O 3.07Å; F56-D58 PolarHBondContact O-N 3.09Å; F56-V59 HydrophobicContact CB-CB 4.26Å; F56-V59 HydrophobicContact CB-CG2 3.51Å; F56-V59 HydrophobicContact CD1-CG2 4.45Å; F56-V59 HydrophobicContact CG-CG2 4.22Å; F56-V59 WeakPolarHBondContact O-CB 3.34Å; F56-V59 PolarHBondContact O-N 2.97Å
57P86.9Confident89.5Confident87 Ų8779.1 Ų79.157%0.56538%0.384SS*.THydrogen-bonded Turntrans-63.8-18.3-174.827.1-36.6000113.9
58D87.3Confident89.4Confident82 Ų8280.7 Ų80.744%0.43939%0.387SS..THydrogen-bonded Turntrans-93.7-2.3179.7-66-41000113.8F56 E60 K61 L62F56-D58 PolarHBondContact O-N 3.09Å; D58-E60 VanDerWaalsContact C-N 3.29Å; D58-E60 PolarHBondContact O-N 2.87Å; D58-K61 WeakPolarHBondContact O-CB 3.31Å; D58-K61 PolarHBondContact O-N 2.95Å; D58-K61 VanDerWaalsContact O-N 3.08Å; D58-K61 IonicContact OD1-NZ 3.39Å; D58-K61 PolarHBondContact OD1-NZ 2.92Å; D58-L62 WeakPolarHBondContact O-CG 3.2Å; D58-L62 PolarHBondContact O-N 3.23Å
59V89.2Confident89.4Confident37 Ų3779.6 Ų79.622%0.22438%0.384CS..Hα-helixtrans-59.7-39.8-179.1159.50000111.9F56 K61 L62 Q63F56-V59 HydrophobicContact CB-CB 4.26Å; F56-V59 HydrophobicContact CB-CG2 3.51Å; F56-V59 HydrophobicContact CD1-CG2 4.45Å; F56-V59 HydrophobicContact CG-CG2 4.22Å; F56-V59 WeakPolarHBondContact O-CB 3.34Å; F56-V59 PolarHBondContact O-N 2.97Å; V59-K61 VanDerWaalsContact C-N 3.3Å; V59-K61 PolarHBondContact O-N 3.32Å; V59-L62 PolarHBondContact O-N 3.43Å; V59-Q63 HydrophobicContact CG1-CG 4.2Å; V59-Q63 WeakPolarHBondContact O-CB 3.27Å; V59-Q63 VanDerWaalsContact O-CG 3.3Å; V59-Q63 WeakPolarHBondContact O-CG 3.44Å; V59-Q63 PolarHBondContact O-N 3.35Å
60E85.4Confident89.5Confident117 Ų11779.7 Ų79.755%0.54738%0.379SS..Hα-helixtrans-61.4-39.6176.4-64.4-176.8174.200111.9D58 A64 F87D58-E60 VanDerWaalsContact C-N 3.29Å; D58-E60 PolarHBondContact O-N 2.87Å; E60-A64 VanDerWaalsContact O-CB 3.32Å; E60-A64 WeakPolarHBondContact O-CB 3.27Å; E60-A64 PolarHBondContact O-N 3.48Å; E60-F87 HydrophobicContact CB-CE1 4.37Å
61K86.7Confident89.4Confident98 Ų9880 Ų8043%0.42638%0.382SS..Hα-helixtrans-67.9-41177.5-59.7175.6-169.1155.50111.3D58 V59 A64 Q65D58-K61 WeakPolarHBondContact O-CB 3.31Å; D58-K61 PolarHBondContact O-N 2.95Å; D58-K61 VanDerWaalsContact O-N 3.08Å; D58-K61 IonicContact OD1-NZ 3.39Å; D58-K61 PolarHBondContact OD1-NZ 2.92Å; V59-K61 VanDerWaalsContact C-N 3.3Å; V59-K61 PolarHBondContact O-N 3.32Å; K61-A64 PolarHBondContact O-N 2.93Å; K61-Q65 WeakPolarHBondContact O-CB 3.3Å; K61-Q65 PolarHBondContact O-N 2.87Å
62L88.8Confident89.4Confident105 Ų10582.7 Ų82.755%0.5539%0.393SS..Hα-helixtrans-68.6-39.1178.6-69.5174.7000111.7D58 V59 Q65 K66D58-L62 WeakPolarHBondContact O-CG 3.2Å; D58-L62 PolarHBondContact O-N 3.23Å; V59-L62 PolarHBondContact O-N 3.43Å; L62-Q65 PolarHBondContact O-N 3.44Å; L62-K66 WeakPolarHBondContact O-CB 3.32Å; L62-K66 PolarHBondContact O-N 2.91Å
63Q88.8Confident89.4Confident94 Ų9488.5 Ų88.544%0.43942%0.42SS..Hα-helixtrans-63-46.7172.7-74.9175.2-1000110.7V59 Q65 K66 E67V59-Q63 HydrophobicContact CG1-CG 4.2Å; V59-Q63 WeakPolarHBondContact O-CB 3.27Å; V59-Q63 VanDerWaalsContact O-CG 3.3Å; V59-Q63 WeakPolarHBondContact O-CG 3.44Å; V59-Q63 PolarHBondContact O-N 3.35Å; Q63-Q65 VanDerWaalsContact C-N 3.31Å; Q63-Q65 PolarHBondContact O-N 3.31Å; Q63-K66 WeakPolarHBondContact O-CB 3.23Å; Q63-K66 PolarHBondContact O-N 3.41Å; Q63-K66 VanDerWaalsContact O-N 3.14Å; Q63-E67 WeakPolarHBondContact O-CG 3.14Å; Q63-E67 PolarHBondContact O-N 2.85Å
64A88.1Confident89.5Confident1 Ų188.6 Ų88.61%0.00843%0.429CS..Hα-helixtrans-59.5-40.3175.100000112.9E60 K61 Y68 I83 F87E60-A64 VanDerWaalsContact O-CB 3.32Å; E60-A64 WeakPolarHBondContact O-CB 3.27Å; E60-A64 PolarHBondContact O-N 3.48Å; K61-A64 PolarHBondContact O-N 2.93Å; A64-Y68 WeakPolarHBondContact O-CB 3.37Å; A64-Y68 PolarHBondContact O-N 3.42Å; A64-I83 HydrophobicContact CB-CG2 4.29Å; A64-I83 WeakPolarHBondContact O-CG2 3.49Å; A64-F87 HydrophobicContact CB-CB 3.86Å; A64-F87 HydrophobicContact CB-CD1 3.69Å; A64-F87 HydrophobicContact CB-CD2 3.28Å; A64-F87 HydrophobicContact CB-CE1 3.99Å; A64-F87 HydrophobicContact CB-CE2 3.6Å; A64-F87 HydrophobicContact CB-CG 3.32Å; A64-F87 HydrophobicContact CB-CZ 3.95Å
65Q87.7Confident89.6Confident76 Ų7687.8 Ų87.836%0.35544%0.437SS..Hα-helixtrans-65.8-41.9175.2-173.8176.83.300111.7K61 L62 Q63 Y68 L69 L91K61-Q65 WeakPolarHBondContact O-CB 3.3Å; K61-Q65 PolarHBondContact O-N 2.87Å; L62-Q65 PolarHBondContact O-N 3.44Å; Q63-Q65 VanDerWaalsContact C-N 3.31Å; Q63-Q65 PolarHBondContact O-N 3.31Å; Q65-Y68 PolarHBondContact O-N 3.22Å; Q65-L69 WeakPolarHBondContact O-CG 3.48Å; Q65-L69 PolarHBondContact O-N 2.85Å; Q65-L69 VanDerWaalsContact O-N 3.11Å; Q65-L91 HydrophobicContact CB-CD1 4.42Å
66K92.1Very high89.7Confident123 Ų12385.5 Ų85.554%0.53543%0.431SS..Hα-helixtrans-61.2-49.4175.8-175.2-163.1167.2-152.20110.9L62 Q63 Y68 L69 E70L62-K66 WeakPolarHBondContact O-CB 3.32Å; L62-K66 PolarHBondContact O-N 2.91Å; Q63-K66 WeakPolarHBondContact O-CB 3.23Å; Q63-K66 PolarHBondContact O-N 3.41Å; Q63-K66 VanDerWaalsContact O-N 3.14Å; K66-Y68 VanDerWaalsContact C-N 3.27Å; K66-Y68 PolarHBondContact O-N 3.03Å; K66-L69 PolarHBondContact O-N 2.98Å; K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 IonicContact NZ-OE1 2.73Å; K66-E70 PolarHBondContact NZ-OE1 2.82Å; K66-E70 VanDerWaalsContact NZ-OE1 3.1Å; K66-E70 PolarHBondContact O-N 2.88Å
67E91.4Very high89.4Confident95 Ų9586.4 Ų86.444%0.44444%0.44SS..Hα-helixtrans-62.6-35.3178.5-72.1178.7-176.800112.1Q63 A71 I83Q63-E67 WeakPolarHBondContact O-CG 3.14Å; Q63-E67 PolarHBondContact O-N 2.85Å; E67-A71 VanDerWaalsContact O-CB 3.27Å; E67-A71 WeakPolarHBondContact O-CB 3.41Å; E67-A71 PolarHBondContact O-N 2.91Å; E67-I83 HydrophobicContact CB-CD1 3.65Å; E67-I83 HydrophobicContact CB-CG1 4.49Å
68Y89.8Confident89.5Confident72 Ų7289.7 Ų89.728%0.28245%0.448SS..Hα-helixtrans-63.2-44.7175.3-177.5-92.5000111.5A64 Q65 K66 A71 E72 M80 I83A64-Y68 WeakPolarHBondContact O-CB 3.37Å; A64-Y68 PolarHBondContact O-N 3.42Å; Q65-Y68 PolarHBondContact O-N 3.22Å; K66-Y68 VanDerWaalsContact C-N 3.27Å; K66-Y68 PolarHBondContact O-N 3.03Å; Y68-A71 PolarHBondContact O-N 3.01Å; Y68-E72 PolarHBondContact O-N 3.1Å; Y68-M80 HydrophobicContact CD2-CB 4.36Å; Y68-M80 HydrophobicContact CD2-CE 4.41Å; Y68-M80 HydrophobicContact CE1-CE 3.87Å; Y68-M80 HydrophobicContact CE2-CB 4.09Å; Y68-M80 HydrophobicContact CE2-CE 3.63Å; Y68-M80 HydrophobicContact CE2-CG 4.38Å; Y68-M80 VanDerWaalsContact OH-CE 3.27Å; Y68-M80 WeakPolarHBondContact OH-CE 3.28Å; Y68-I83 HydrophobicContact CD2-CG2 4.42Å
69L91.9Very high89.4Confident80 Ų8093.2 Ų93.242%0.41946%0.455SS..Hα-helixtrans-68.2-41.7177.3-67.4173.1000111.9Q65 K66 A71 E72 E73Q65-L69 WeakPolarHBondContact O-CG 3.48Å; Q65-L69 PolarHBondContact O-N 2.85Å; Q65-L69 VanDerWaalsContact O-N 3.11Å; K66-L69 PolarHBondContact O-N 2.98Å; L69-A71 VanDerWaalsContact C-N 3.29Å; L69-A71 PolarHBondContact O-N 3.06Å; L69-E72 WeakPolarHBondContact O-CB 3.49Å; L69-E72 PolarHBondContact O-N 3.31Å; L69-E72 VanDerWaalsContact O-N 3.17Å; L69-E73 WeakPolarHBondContact O-CG 3.44Å; L69-E73 PolarHBondContact O-N 3.43Å
70E93.4Very high89.1Confident82 Ų8292.8 Ų92.838%0.38345%0.451SS..Hα-helixtrans-62.3-37.7174.5-75.4-178.1170.200111.4K66 E73 N74K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 IonicContact NZ-OE1 2.73Å; K66-E70 PolarHBondContact NZ-OE1 2.82Å; K66-E70 VanDerWaalsContact NZ-OE1 3.1Å; K66-E70 PolarHBondContact O-N 2.88Å; E70-E73 PolarHBondContact O-N 3.5Å; E70-N74 WeakPolarHBondContact O-CB 3.4Å; E70-N74 VanDerWaalsContact O-CG 3.26Å; E70-N74 PolarHBondContact O-N 3.4Å; E70-N74 PolarHBondContact O-ND2 3.43Å
71A91.4Very high89.1Confident7 Ų796.2 Ų96.26%0.05846%0.459CS..Hα-helixtrans-68.6-34.3174.700000112.5E67 Y68 L69 G75 D76 R79 M80E67-A71 VanDerWaalsContact O-CB 3.27Å; E67-A71 WeakPolarHBondContact O-CB 3.41Å; E67-A71 PolarHBondContact O-N 2.91Å; Y68-A71 PolarHBondContact O-N 3.01Å; L69-A71 VanDerWaalsContact C-N 3.29Å; L69-A71 PolarHBondContact O-N 3.06Å; A71-G75 PolarHBondContact O-N 3.19Å; A71-D76 PolarHBondContact O-N 3.07Å; A71-R79 HydrophobicContact CB-CB 3.85Å; A71-M80 HydrophobicContact CB-CG 3.62Å
72E90Very high89.1Confident112 Ų11296.4 Ų96.452%0.52346%0.461SS..Hα-helixtrans-65.6-44.3172.8-174.5177.1-160.900111.4Y68 L69 N74 G75 M80Y68-E72 PolarHBondContact O-N 3.1Å; L69-E72 WeakPolarHBondContact O-CB 3.49Å; L69-E72 PolarHBondContact O-N 3.31Å; L69-E72 VanDerWaalsContact O-N 3.17Å; E72-N74 PolarHBondContact O-N 3.01Å; E72-G75 PolarHBondContact O-N 3.48Å; E72-M80 HydrophobicContact CB-CE 4.09Å; E72-M80 HydrophobicContact CB-SD 4.21Å; E72-M80 HydrophobicContact CG-CE 4.37Å
73E90.7Very high88.9Confident166 Ų16692 Ų9278%0.77644%0.438SS*.Hα-helixtrans-64.5-37.6177-72.8-179176.300112.6L69 E70L69-E73 WeakPolarHBondContact O-CG 3.44Å; L69-E73 PolarHBondContact O-N 3.43Å; E70-E73 PolarHBondContact O-N 3.5Å
74N91.4Very high88.6Confident117 Ų11789.7 Ų89.763%0.62644%0.435SS*.Hα-helixtrans-82-12.7177.8-67.8-41000113.4E70 E72E70-N74 WeakPolarHBondContact O-CB 3.4Å; E70-N74 VanDerWaalsContact O-CG 3.26Å; E70-N74 PolarHBondContact O-N 3.4Å; E70-N74 PolarHBondContact O-ND2 3.43Å; E72-N74 PolarHBondContact O-N 3.01Å
75G90.1Very high88.5Confident50 Ų5095.7 Ų95.752%0.51547%0.466SS..THydrogen-bonded Turntrans76.417.3-177.900000114.9A71 E72 L77A71-G75 PolarHBondContact O-N 3.19Å; E72-G75 PolarHBondContact O-N 3.48Å; G75-L77 PolarHBondContact O-N 3Å; G75-L77 VanDerWaalsContact O-N 3.16Å
76D91.4Very high88.3Confident78 Ų7899.6 Ų99.642%0.41748%0.482SS..  trans-85.383.3-176.2-74.6-27.1000111.8A71 E78 R79 M80A71-D76 PolarHBondContact O-N 3.07Å; D76-E78 PolarHBondContact O-N 3.3Å; D76-R79 HydrophobicContact CB-CB 4.06Å; D76-R79 HydrophobicContact CB-CG 4.13Å; D76-R79 PolarHBondContact O-N 3.35Å; D76-M80 PolarHBondContact O-N 3.48Å; D76-M80 VanDerWaalsContact O-N 3.14Å
77L85.8Confident87.6Confident135 Ų13596.4 Ų96.471%0.70747%0.468SS*.Hα-helixtrans-60-29.4-177.5-60.7177.8000114G75 M80 R81G75-L77 PolarHBondContact O-N 3Å; G75-L77 VanDerWaalsContact O-N 3.16Å; L77-M80 HydrophobicContact CD2-SD 4.23Å; L77-R81 WeakPolarHBondContact O-CB 3.41Å; L77-R81 PolarHBondContact O-N 3.3Å
78E88.4Confident86.3Confident157 Ų15793.2 Ų93.273%0.73446%0.46SS*.Hα-helixtrans-69.2-44178.3-64.8-177173.900111.7D76 R81 Q82D76-E78 PolarHBondContact O-N 3.3Å; E78-R81 PolarHBondContact O-N 3.29Å; E78-Q82 VanDerWaalsContact O-CG 3.31Å; E78-Q82 WeakPolarHBondContact O-CG 3.45Å; E78-Q82 PolarHBondContact O-N 3.23Å
79R85.5Confident84.9Confident155 Ų15594.8 Ų94.859%0.58548%0.482SS*.Hα-helixtrans-62.7-45.7174.9-74.3-79.5179.891.6-2.3110.3A71 D76 R81 Q82 I83A71-R79 HydrophobicContact CB-CB 3.85Å; D76-R79 HydrophobicContact CB-CB 4.06Å; D76-R79 HydrophobicContact CB-CG 4.13Å; D76-R79 PolarHBondContact O-N 3.35Å; R79-R81 VanDerWaalsContact C-N 3.31Å; R79-R81 PolarHBondContact O-N 2.91Å; R79-Q82 PolarHBondContact O-N 3.45Å; R79-I83 WeakPolarHBondContact O-CD1 3.3Å; R79-I83 WeakPolarHBondContact O-CG1 3.49Å; R79-I83 PolarHBondContact O-N 3.33Å
80M82.4Confident83.3Confident29 Ų2993.5 Ų93.514%0.14348%0.483CS..Hα-helixtrans-56.7-43.6175.3-68-178.575.200112.3Y68 A71 E72 D76 L77 I83 A84Y68-M80 HydrophobicContact CD2-CB 4.36Å; Y68-M80 HydrophobicContact CD2-CE 4.41Å; Y68-M80 HydrophobicContact CE1-CE 3.87Å; Y68-M80 HydrophobicContact CE2-CB 4.09Å; Y68-M80 HydrophobicContact CE2-CE 3.63Å; Y68-M80 HydrophobicContact CE2-CG 4.38Å; Y68-M80 VanDerWaalsContact OH-CE 3.27Å; Y68-M80 WeakPolarHBondContact OH-CE 3.28Å; A71-M80 HydrophobicContact CB-CG 3.62Å; E72-M80 HydrophobicContact CB-CE 4.09Å; E72-M80 HydrophobicContact CB-SD 4.21Å; E72-M80 HydrophobicContact CG-CE 4.37Å; D76-M80 PolarHBondContact O-N 3.48Å; D76-M80 VanDerWaalsContact O-N 3.14Å; L77-M80 HydrophobicContact CD2-SD 4.23Å; M80-I83 PolarHBondContact O-N 3.13Å; M80-A84 VanDerWaalsContact O-CB 3.25Å; M80-A84 WeakPolarHBondContact O-CB 3.02Å; M80-A84 PolarHBondContact O-N 3.09Å
81R85Confident81.4Confident189 Ų18991.9 Ų91.971%0.71348%0.476SS*.Hα-helixtrans-67.1-42179.3-170.6178-178.9-179.60.1111.9L77 E78 R79 A84 I85L77-R81 WeakPolarHBondContact O-CB 3.41Å; L77-R81 PolarHBondContact O-N 3.3Å; E78-R81 PolarHBondContact O-N 3.29Å; R79-R81 VanDerWaalsContact C-N 3.31Å; R79-R81 PolarHBondContact O-N 2.91Å; R81-A84 PolarHBondContact O-N 2.87Å; R81-I85 HydrophobicContact CG-CD1 4.02Å; R81-I85 WeakPolarHBondContact O-CD1 3.45Å; R81-I85 VanDerWaalsContact O-CG1 3.23Å; R81-I85 WeakPolarHBondContact O-CG1 3.25Å; R81-I85 PolarHBondContact O-N 3.35Å
82Q87.9Confident79.4Confident101 Ų10194.7 Ų94.747%0.47251%0.507SS..Hα-helixtrans-62.1-44.6176.4-71.9173.211.300111.5E78 R79 I85 K86E78-Q82 VanDerWaalsContact O-CG 3.31Å; E78-Q82 WeakPolarHBondContact O-CG 3.45Å; E78-Q82 PolarHBondContact O-N 3.23Å; R79-Q82 PolarHBondContact O-N 3.45Å; Q82-I85 PolarHBondContact O-N 2.91Å; Q82-K86 WeakPolarHBondContact O-CG 3.23Å; Q82-K86 PolarHBondContact O-N 3.08Å
83I84.6Confident77.5Confident13 Ų1397.8 Ų97.87%0.06752%0.518CS..Hα-helixtrans-65.6-42.8177.9-63.5160.6000110.6A64 E67 Y68 R79 M80 I85 K86 F87A64-I83 HydrophobicContact CB-CG2 4.29Å; A64-I83 WeakPolarHBondContact O-CG2 3.49Å; E67-I83 HydrophobicContact CB-CD1 3.65Å; E67-I83 HydrophobicContact CB-CG1 4.49Å; Y68-I83 HydrophobicContact CD2-CG2 4.42Å; R79-I83 WeakPolarHBondContact O-CD1 3.3Å; R79-I83 WeakPolarHBondContact O-CG1 3.49Å; R79-I83 PolarHBondContact O-N 3.33Å; M80-I83 PolarHBondContact O-N 3.13Å; I83-I85 VanDerWaalsContact C-N 3.3Å; I83-I85 PolarHBondContact O-N 3.09Å; I83-K86 PolarHBondContact O-N 3.36Å; I83-F87 HydrophobicContact CG2-CD2 4.25Å; I83-F87 PolarHBondContact O-N 3.15Å
84A82.3Confident75.1Confident45 Ų4596 Ų9637%0.37251%0.511SS..Hα-helixtrans-64.6-31.3176.300000112.9M80 R81 G88M80-A84 VanDerWaalsContact O-CB 3.25Å; M80-A84 WeakPolarHBondContact O-CB 3.02Å; M80-A84 PolarHBondContact O-N 3.09Å; R81-A84 PolarHBondContact O-N 2.87Å; A84-G88 WeakPolarHBondContact O-CA 3.33Å; A84-G88 PolarHBondContact O-N 3.19Å
85I85.6Confident72.6Confident127 Ų12794.2 Ų94.265%0.65151%0.508SS*.Hα-helixtrans-72.2-43.7173.9-69.2163.4000110.6R81 Q82 I83R81-I85 HydrophobicContact CG-CD1 4.02Å; R81-I85 WeakPolarHBondContact O-CD1 3.45Å; R81-I85 VanDerWaalsContact O-CG1 3.23Å; R81-I85 WeakPolarHBondContact O-CG1 3.25Å; R81-I85 PolarHBondContact O-N 3.35Å; Q82-I85 PolarHBondContact O-N 2.91Å; I83-I85 VanDerWaalsContact C-N 3.3Å; I83-I85 PolarHBondContact O-N 3.09Å
86K83Confident70.5Confident159 Ų159104.3 Ų104.369%0.69153%0.531SS*.Hα-helixtrans-68.9-40.1-179.2-71.2178.6179.3-174.70112.8Q82 I83Q82-K86 WeakPolarHBondContact O-CG 3.23Å; Q82-K86 PolarHBondContact O-N 3.08Å; I83-K86 PolarHBondContact O-N 3.36Å
87F76.8Confident68Low55 Ų55107.4 Ų107.424%0.24154%0.543CS..Hα-helixtrans-124-3.4-169.8-61.2-82.7000114.7E60 A64 I83 S89 A90 L91E60-F87 HydrophobicContact CB-CE1 4.37Å; A64-F87 HydrophobicContact CB-CB 3.86Å; A64-F87 HydrophobicContact CB-CD1 3.69Å; A64-F87 HydrophobicContact CB-CD2 3.28Å; A64-F87 HydrophobicContact CB-CE1 3.99Å; A64-F87 HydrophobicContact CB-CE2 3.6Å; A64-F87 HydrophobicContact CB-CG 3.32Å; A64-F87 HydrophobicContact CB-CZ 3.95Å; I83-F87 HydrophobicContact CG2-CD2 4.25Å; I83-F87 PolarHBondContact O-N 3.15Å; F87-S89 VanDerWaalsContact C-N 3.27Å; F87-S89 PolarHBondContact O-N 2.78Å; F87-A90 WeakPolarHBondContact O-CB 3.45Å; F87-A90 PolarHBondContact O-N 2.88Å; F87-L91 PolarHBondContact O-N 3.31Å
88G64.4Low66Low28 Ų28106.1 Ų106.129%0.28954%0.543SS..Hα-helixtrans-65.1-22.7-173.300000115.4A84 A90 G92A84-G88 WeakPolarHBondContact O-CA 3.33Å; A84-G88 PolarHBondContact O-N 3.19Å; G88-A90 VanDerWaalsContact C-N 3.31Å; G88-G92 PolarHBondContact O-N 3.28Å; G88-G92 VanDerWaalsContact O-N 3.1Å
89S60.9Low64.1Low106 Ų106104 Ų10474%0.74154%0.543SS*.Hα-helixtrans-69.2-29.9171.6-171.30000112.6F87F87-S89 VanDerWaalsContact C-N 3.27Å; F87-S89 PolarHBondContact O-N 2.78Å
90A58.1Low62.6Low53 Ų53102.2 Ų102.244%0.43855%0.551SS.*Hα-helixtrans-87.3-33.6175.400000112.1F87 G88F87-A90 WeakPolarHBondContact O-CB 3.45Å; F87-A90 PolarHBondContact O-N 2.88Å; G88-A90 VanDerWaalsContact C-N 3.31Å
91L54.5Low60.9Low47 Ų47106.1 Ų106.125%0.24658%0.578CS.*Hα-helixtrans-71.9-31.5179.4-130.678000113Q65 F87 K93 M94Q65-L91 HydrophobicContact CB-CD1 4.42Å; F87-L91 PolarHBondContact O-N 3.31Å; L91-K93 VanDerWaalsContact C-N 3.27Å; L91-K93 PolarHBondContact O-N 3.1Å; L91-M94 WeakPolarHBondContact O-CG 3.41Å
92G49.3Very low58.9Low67 Ų67107.3 Ų107.369%0.69158%0.584SS**THydrogen-bonded Turntrans-75.9-2.3-176.500000116.3G88G88-G92 PolarHBondContact O-N 3.28Å; G88-G92 VanDerWaalsContact O-N 3.1Å
93K49.2Very low56.9Low176 Ų176108.5 Ų108.577%0.76560%0.598SS**THydrogen-bonded Turntrans-111.625.3179.6-62.7-174.7-174.6179.30113.4L91 S95L91-K93 VanDerWaalsContact C-N 3.27Å; L91-K93 PolarHBondContact O-N 3.1Å; K93-S95 PolarHBondContact O-N 2.95Å
94M41.1Very low54.9Low129 Ų129112.1 Ų112.164%0.63562%0.621SS**  trans-70.488.5158.850.3-179.763.600108.2L91 R96L91-M94 WeakPolarHBondContact O-CG 3.41Å; M94-R96 PolarHBondContact O-N 3.18Å
95S38.1Very low53.3Low80 Ų80115.1 Ų115.156%0.55964%0.637SS**  trans-47.3128.1152.2-172.40000106.6K93 E97K93-S95 PolarHBondContact O-N 2.95Å; S95-E97 PolarHBondContact O-N 3.3Å; S95-E97 WeakPolarHBondContact OG-CB 3.39Å; S95-E97 PolarHBondContact OG-OE2 3.04Å
96R45.8Very low51.6Low261 Ų261114 Ų11499%0.98565%0.646SS**SBendtrans-7255.2173.4-163.4176.5-177.1163.70.2108.7M94M94-R96 PolarHBondContact O-N 3.18Å
97E38.9Very low50Low144 Ų144111.1 Ų111.167%0.67364%0.642SS**  trans-120.2128-176-162.9159.5-165.500107.5S95S95-E97 PolarHBondContact O-N 3.3Å; S95-E97 WeakPolarHBondContact OG-CB 3.39Å; S95-E97 PolarHBondContact OG-OE2 3.04Å
98P43.8Very low48.6Very low108 Ų108119.2 Ų119.270%0.70168%0.678SS**PPolyproline II helixtrans-57.6146.91804.20000109.6
99P49.4Very low47.8Very low113 Ų113125.8 Ų125.873%0.73470%0.701SS**PPolyproline II helixtrans-54.6136.5175.623.4-32.3000109
100P54.7Low47.1Very low116 Ų116126.9 Ų126.975%0.75370%0.704SS**PPolyproline II helixtrans-56.2134.517223.3-31000107.9Y102P100-Y102 PolarHBondContact O-N 3.47Å
101P45.3Very low46.5Very low112 Ų112130 Ų13073%0.72772%0.719SS**PPolyproline II helixtrans-55.7133.4-176.721.8-31.8000109.6V103P101-V103 WeakPolarHBondContact O-CG2 3.46Å; P101-V103 PolarHBondContact O-N 3.3Å
102Y44.3Very low45.7Very low213 Ų213136.2 Ų136.284%0.83575%0.747SS**  trans-54.4100175.5-174.4-102.1000109.6P100 T104P100-Y102 PolarHBondContact O-N 3.47Å; Y102-T104 HydrophobicContact CD1-CG2 3.75Å; Y102-T104 HydrophobicContact CE1-CG2 3.53Å; Y102-T104 PolarHBondContact O-N 3.13Å; Y102-T104 VanDerWaalsContact O-N 3.11Å
103V45Very low44.9Very low126 Ų126139.4 Ų139.476%0.76475%0.753SS**  trans-7896.4175-175.20000107P101 P105P101-V103 WeakPolarHBondContact O-CG2 3.46Å; P101-V103 PolarHBondContact O-N 3.3Å; V103-P105 WeakPolarHBondContact O-CD 3.39Å
104T43.5Very low44.2Very low89 Ų89139.8 Ų139.855%0.54676%0.757SS.*  trans-61.4123.9161.648.80000107.3Y102 A106Y102-T104 HydrophobicContact CD1-CG2 3.75Å; Y102-T104 HydrophobicContact CE1-CG2 3.53Å; Y102-T104 PolarHBondContact O-N 3.13Å; Y102-T104 VanDerWaalsContact O-N 3.11Å; T104-A106 PolarHBondContact O-N 2.89Å
105P48.5Very low43.8Very low108 Ų108137.7 Ų137.770%0.70176%0.76SS**  trans-62.5109.5171.925.6-31.9000107.7V103 T107V103-P105 WeakPolarHBondContact O-CD 3.39Å; P105-T107 PolarHBondContact O-N 2.92Å
106A50.1Low43.8Very low103 Ų103137.8 Ų137.885%0.85177%0.773SS**  trans-80.511.4176.300000112.2T104T104-A106 PolarHBondContact O-N 2.89Å
107T48.3Very low43.1Very low100 Ų100131.8 Ų131.861%0.61377%0.766SS**SBendtrans-121.2131.1-179.8280000110.8P105 E109P105-T107 PolarHBondContact O-N 2.92Å; T107-E109 PolarHBondContact O-N 3.37Å
108F47.3Very low42.9Very low225 Ų225128.1 Ų128.199%0.98777%0.767SS**  trans-75.753.3176.7-159.9-94.2000110.4
109E48.3Very low42.3Very low165 Ų165129.8 Ų129.877%0.77178%0.775SS**  trans-104.2119.9178-154.3163.3-160.700109T107T107-E109 PolarHBondContact O-N 3.37Å
110T45.1Very low41.4Very low130 Ų130130.8 Ų130.880%0.79878%0.779SS**PPolyproline II helixtrans-51.8124.9-175.7-20.50000110.2E112T110-E112 PolarHBondContact O-N 2.87Å; T110-E112 VanDerWaalsContact O-N 3.13Å
111P46Very low40.3Very low119 Ų119128.4 Ų128.477%0.77378%0.775SS**PPolyproline II helixtrans-61.7121.1-179.922.6-31000110V113P111-V113 PolarHBondContact O-N 3.28Å
112E38.3Very low39.6Very low177 Ų177131.1 Ų131.183%0.82778%0.783SS**PPolyproline II helixtrans-66.1121.1173.9-168.7170.9-174.200108.8T110 H114T110-E112 PolarHBondContact O-N 2.87Å; T110-E112 VanDerWaalsContact O-N 3.13Å; E112-H114 PolarHBondContact O-N 3.31Å; E112-H114 PolarHBondContact O-ND1 3.06Å
113V32.9Very low39.1Very low133 Ų133130.7 Ų130.781%0.80679%0.786SS**  trans-58.7111.4177.8178.30000108.2P111 A115P111-V113 PolarHBondContact O-N 3.28Å; V113-A115 VanDerWaalsContact C-N 3.34Å; V113-A115 PolarHBondContact O-N 2.9Å
114H33.7Very low38.5Very low185 Ų185130.4 Ų130.486%0.85679%0.787SS**  trans-66.494.6170.9-79.859.7000108.7E112 G116E112-H114 PolarHBondContact O-N 3.31Å; E112-H114 PolarHBondContact O-ND1 3.06Å; H114-G116 PolarHBondContact O-N 2.73Å
115A32.7Very low38Very low85 Ų85137.5 Ų137.570%0.70280%0.803SS**  trans-69.2108.2163.800000107.9V113 T117V113-A115 VanDerWaalsContact C-N 3.34Å; V113-A115 PolarHBondContact O-N 2.9Å; A115-T117 PolarHBondContact O-N 2.95Å; A115-T117 VanDerWaalsContact O-N 3.15Å
116G37.6Very low37.4Very low81 Ų81138.6 Ų138.684%0.83581%0.811SS**PPolyproline II helixtrans-51.5117.9179.400000111.9H114H114-G116 PolarHBondContact O-N 2.73Å
117T32.5Very low36.6Very low136 Ų136145.8 Ų145.883%0.83482%0.816SS**PPolyproline II helixtrans-99.8119166.4-53.80000107.2A115 V119A115-T117 PolarHBondContact O-N 2.95Å; A115-T117 VanDerWaalsContact O-N 3.15Å; T117-V119 PolarHBondContact O-N 2.82Å
118G33Very low36Very low67 Ų67144.7 Ų144.769%0.69182%0.824SS**PPolyproline II helixtrans-57.2130.5-171.400000113.9V120G118-V120 PolarHBondContact O-N 2.81Å
119V32Very low35.3Very low143 Ų143145.6 Ų145.687%0.86782%0.821SS**  trans-73.9110.3165.1172.90000107.7T117 G121T117-V119 PolarHBondContact O-N 2.82Å; V119-G121 PolarHBondContact O-N 3.02Å
120V31.2Very low34.4Very low134 Ų134141 Ų14181%0.81282%0.818SS**PPolyproline II helixtrans-62.7117169.5178.60000108.3G118 N122G118-V120 PolarHBondContact O-N 2.81Å; V120-N122 PolarHBondContact O-N 3.25Å
121G31Very low34.2Very low66 Ų66141.1 Ų141.168%0.6882%0.821SS**PPolyproline II helixtrans-63.5123.2179.700000112.7V119 K123V119-G121 PolarHBondContact O-N 3.02Å; G121-K123 PolarHBondContact O-N 3.38Å
122N30.6Very low33.6Very low168 Ų168144.7 Ų144.790%0.89883%0.827SS**PPolyproline II helixtrans-71.6118161.8-92.7-22.5000109.1V120 P124V120-N122 PolarHBondContact O-N 3.25Å; N122-P124 WeakPolarHBondContact O-CD 3.46Å
123K33.7Very low33.5Very low205 Ų205144.4 Ų144.489%0.89183%0.831SS**PPolyproline II helixtrans-84.5117.4174.9-152.8172.3-168.71710109.2G121G121-K123 PolarHBondContact O-N 3.38Å
124P33.1Very low33.5Very low120 Ų120141.6 Ų141.678%0.77983%0.829SS**PPolyproline II helixtrans-82.2133.8166.327.7-22.3000110.2N122N122-P124 WeakPolarHBondContact O-CD 3.46Å
125R31.8Very low33.5Very low238 Ų238142.5 Ų142.590%0.89883%0.834SS**PPolyproline II helixtrans-64.9144171.9-72.8176.4169.5177.7-3.9110.5
126P36.2Very low33.5Very low131 Ų131143.2 Ų143.285%0.85184%0.84SS**PPolyproline II helixtrans-81.8127.1174.732.6-29.8000110.3
127R33.3Very low33.3Very low254 Ų254142.6 Ų142.696%0.95883%0.833SS**PPolyproline II helixtrans-94.2121.2156.8-86.5-171173.6-138.20.7107.2
128G35.9Very low33.4Very low77 Ų77145.3 Ų145.379%0.79484%0.837SS**PPolyproline II helixtrans-69.2146.4178.200000113.6
129R31.3Very low33.9Very low244 Ų244150.9 Ų150.992%0.92184%0.844SS**  trans-165.9114.4152.2-177.6172.7-75.2-110.20.5110.5
130G30.1Very low34.4Very low69 Ų69151.8 Ų151.871%0.71184%0.839SS**  trans78129.9145.600000118.8
131P42Very low35.1Very low132 Ų132154.6 Ų154.686%0.85784%0.844SS**  trans-84.4134.417134.9-27.8000109.7
132E31.8Very low36.3Very low193 Ų193159.7 Ų159.790%0.90285%0.847SS**  trans-140.7127.6159.6-138.4178.3172.800107.9
133D37.4Very low37.8Very low171 Ų171159.6 Ų159.691%0.91484%0.841SS**  trans-67.1136-168.6-60.2-65.6000112.3
134G32.6Very low39.6Very low74 Ų74154.8 Ų154.876%0.76383%0.831SS**  trans-174.8119.5171.800000111.5A136G134-A136 PolarHBondContact O-N 3.29Å
135E33.4Very low41.7Very low205 Ų205151.6 Ų151.696%0.95881%0.807SS**  trans-33.3119.9-176.4-80.5167.6135.400116G137E135-G137 PolarHBondContact O-N 2.95Å
136A32.1Very low44.1Very low100 Ų100142 Ų14283%0.82678%0.776SS**  trans-76.4100.5164.800000109.2G134G134-A136 PolarHBondContact O-N 3.29Å
137G34.3Very low46.6Very low67 Ų67138.6 Ų138.669%0.69176%0.755SS**  trans-69.4122.5153.200000108.1E135 E139E135-G137 PolarHBondContact O-N 2.95Å; G137-E139 PolarHBondContact O-N 3.41Å
138E35.2Very low49.2Very low194 Ų194128 Ų12891%0.90772%0.717SS**  trans-67.382.2170-65.1179.4167.400108.4E140E138-E140 PolarHBondContact O-N 2.9Å; E138-E140 VanDerWaalsContact O-N 3.14Å
139E43.6Very low51.8Low183 Ų183130.4 Ų130.486%0.85571%0.712SS**  trans-71.6102161.1-72.3-173.9-179.400106.4G137 E141G137-E139 PolarHBondContact O-N 3.41Å; E139-E141 PolarHBondContact O-N 3.44Å
140E41.5Very low54.5Low163 Ų163120.9 Ų120.976%0.76268%0.681SS**  trans-47.4116.6166.5-74.1-169.8154.900107.7E138 K142E138-E140 PolarHBondContact O-N 2.9Å; E138-E140 VanDerWaalsContact O-N 3.14Å; E140-K142 PolarHBondContact O-N 3.49Å
141E45.9Very low57.4Low193 Ų193117.7 Ų117.790%0.90265%0.647SS**  trans-61.983.3169.4-69.4-174.3166.200107.3E139 E143E139-E141 PolarHBondContact O-N 3.44Å; E141-E143 PolarHBondContact O-N 3.02Å
142K56.6Low59.7Low173 Ų173114.6 Ų114.675%0.75262%0.623SS**  trans-60.2113.1175.8-71.9-175.9-179.7-179.70106E140E140-K142 PolarHBondContact O-N 3.49Å
143E61.6Low62.4Low165 Ų165108.1 Ų108.177%0.77160%0.599SS**  trans-40132.7173.5-75.4-86.9172.200109.6E141 L145E141-E143 PolarHBondContact O-N 3.02Å; E143-L145 PolarHBondContact O-N 3.39Å
144P71.1Confident64.8Low104 Ų104106.8 Ų106.868%0.67558%0.581SS**  trans-55.8122-173.722.3-32.6000109.3
145L77.3Confident67.6Low53 Ų53105.7 Ų105.728%0.27755%0.554SS.*  trans-51.6138.4-177.1-69.1166.9000109.8G46 T49 V50 R53 E143 F151G46-L145 WeakPolarHBondContact O-CD1 3.45Å; T49-L145 HydrophobicContact CG2-CD1 4.33Å; V50-L145 HydrophobicContact CG2-CB 3.46Å; V50-L145 VanDerWaalsContact CG2-CB 3.46Å; V50-L145 HydrophobicContact CG2-CD1 3.89Å; V50-L145 HydrophobicContact CG2-CG 4.29Å; R53-L145 PolarHBondContact NH1-O 3.24Å; R53-L145 PolarHBondContact NH2-O 3.17Å; E143-L145 PolarHBondContact O-N 3.39Å; L145-F151 HydrophobicContact CD2-CD2 4.32Å; L145-F151 HydrophobicContact CD2-CE2 4.11Å
146P82.9Confident70.5Confident38 Ų3896.4 Ų96.425%0.24751%0.512CS..  trans-64.4175.1-178.228.6-35.4000111.7R53 V150R53-P146 PolarHBondContact NH2-O 3.26Å; P146-V150 HydrophobicContact CB-CB 3.93Å; P146-V150 HydrophobicContact CB-CG1 3.65Å; P146-V150 HydrophobicContact CG-CB 4.39Å; P146-V150 HydrophobicContact CG-CG1 3.95Å
147S88.3Confident73.4Confident58 Ų5892.5 Ų92.541%0.40648%0.478SS..  trans-58.7155176.362.60000111.8D149 V150 F151S147-D149 VanDerWaalsContact C-N 3.33Å; S147-D149 PolarHBondContact O-N 3.31Å; S147-V150 WeakPolarHBondContact O-CA 3.47Å; S147-V150 WeakPolarHBondContact O-CB 3.32Å; S147-V150 PolarHBondContact O-N 2.99Å; S147-V150 WeakPolarHBondContact OG-CG2 3.4Å; S147-F151 PolarHBondContact O-N 3.25Å
148L88.9Confident76.2Confident31 Ų3194 Ų9416%0.16247%0.467CS..Hα-helixtrans-46.3-51.1-176.3-177.160.9000113.8L47 V50 I51 F55 V150 F151 L152L47-L148 HydrophobicContact CD1-CD1 3.39Å; V50-L148 HydrophobicContact CG1-CB 3.91Å; V50-L148 HydrophobicContact CG1-CD1 4.24Å; I51-L148 HydrophobicContact CG1-CD1 4.05Å; I51-L148 HydrophobicContact CG1-CD2 4.37Å; F55-L148 HydrophobicContact CE2-CB 4.42Å; F55-L148 HydrophobicContact CE2-CD2 3.68Å; F55-L148 HydrophobicContact CZ-CD2 4.22Å; L148-V150 VanDerWaalsContact C-N 3.28Å; L148-V150 PolarHBondContact O-N 3.44Å; L148-F151 WeakPolarHBondContact O-CB 3.37Å; L148-F151 PolarHBondContact O-N 2.91Å; L148-F151 VanDerWaalsContact O-N 3.15Å; L148-L152 HydrophobicContact CD1-CD1 4.04Å; L148-L152 HydrophobicContact CD1-CG 4.1Å; L148-L152 HydrophobicContact CG-CD1 3.99Å; L148-L152 HydrophobicContact CG-CG 4.42Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 3.11Å
149D89.1Confident79Confident129 Ų12989.7 Ų89.769%0.6945%0.451SS*.Hα-helixtrans-60.1-38.3-179.9-72.71.6000113S147 S153S147-D149 VanDerWaalsContact C-N 3.33Å; S147-D149 PolarHBondContact O-N 3.31Å; D149-S153 WeakPolarHBondContact O-CB 3.27Å; D149-S153 PolarHBondContact O-N 2.88Å; D149-S153 PolarHBondContact O-OG 3.42Å
150V88.9Confident81.3Confident44 Ų4484 Ų8427%0.26743%0.426SS..Hα-helixtrans-72.5-38.9179.4176.20000109.8P146 S147 L148 S153 R154P146-V150 HydrophobicContact CB-CB 3.93Å; P146-V150 HydrophobicContact CB-CG1 3.65Å; P146-V150 HydrophobicContact CG-CB 4.39Å; P146-V150 HydrophobicContact CG-CG1 3.95Å; S147-V150 WeakPolarHBondContact O-CA 3.47Å; S147-V150 WeakPolarHBondContact O-CB 3.32Å; S147-V150 PolarHBondContact O-N 2.99Å; S147-V150 WeakPolarHBondContact OG-CG2 3.4Å; L148-V150 VanDerWaalsContact C-N 3.28Å; L148-V150 PolarHBondContact O-N 3.44Å; V150-S153 PolarHBondContact O-N 3.09Å; V150-S153 PolarHBondContact O-OG 3.43Å; V150-R154 HydrophobicContact CG1-CG 4.46Å; V150-R154 WeakPolarHBondContact O-CB 3.38Å; V150-R154 VanDerWaalsContact O-CG 3.29Å; V150-R154 WeakPolarHBondContact O-CG 3.37Å; V150-R154 PolarHBondContact O-N 3.07Å; V150-R154 VanDerWaalsContact O-N 3.17Å
151F90.8Very high83.7Confident2 Ų277.6 Ų77.61%0.00940%0.401CS..Hα-helixtrans-60.5-52.8174.6-174.8-94.4000111.1L38 Y43 L47 V50 L145 S147 L148 S153 R154 Y155L38-F151 HydrophobicContact CD1-CZ 4.37Å; Y43-F151 AromaticContact CD2-CE1 3.99Å; Y43-F151 HydrophobicContact CD2-CE1 3.99Å; Y43-F151 HydrophobicContact CD2-CZ 4.22Å; Y43-F151 AromaticContact CE2-CE1 3.74Å; Y43-F151 HydrophobicContact CE2-CE1 3.74Å; Y43-F151 HydrophobicContact CE2-CZ 4.39Å; L47-F151 HydrophobicContact CB-CE1 4.07Å; L47-F151 HydrophobicContact CD1-CD1 4.16Å; L47-F151 HydrophobicContact CD1-CE1 4.29Å; V50-F151 HydrophobicContact CG2-CD2 4.49Å; L145-F151 HydrophobicContact CD2-CD2 4.32Å; L145-F151 HydrophobicContact CD2-CE2 4.11Å; S147-F151 PolarHBondContact O-N 3.25Å; L148-F151 WeakPolarHBondContact O-CB 3.37Å; L148-F151 PolarHBondContact O-N 2.91Å; L148-F151 VanDerWaalsContact O-N 3.15Å; F151-S153 VanDerWaalsContact C-N 3.27Å; F151-S153 PolarHBondContact O-N 3.42Å; F151-R154 PolarHBondContact O-N 2.69Å; F151-Y155 AromaticContact CD2-CD2 3.49Å; F151-Y155 HydrophobicContact CD2-CD2 3.49Å; F151-Y155 VanDerWaalsContact CD2-CD2 3.49Å; F151-Y155 AromaticContact CD2-CE2 3.84Å; F151-Y155 HydrophobicContact CD2-CE2 3.84Å; F151-Y155 HydrophobicContact CD2-CG 4.41Å; F151-Y155 AromaticContact CE2-CD2 3.65Å; F151-Y155 HydrophobicContact CE2-CD2 3.65Å; F151-Y155 HydrophobicContact CE2-CE2 4.07Å; F151-Y155 HydrophobicContact CE2-CG 4.18Å; F151-Y155 HydrophobicContact CG-CD2 4.03Å; F151-Y155 HydrophobicContact CZ-CD2 4.3Å; F151-Y155 HydrophobicContact CZ-CG 4.48Å; F151-Y155 WeakPolarHBondContact O-CD2 3.44Å; F151-Y155 PolarHBondContact O-N 3.04Å
152L89.8Confident85.9Confident67 Ų6770.8 Ų70.835%0.35137%0.374SS..Hα-helixtrans-61.7-32.4178.4-64.3175.7000113Q35 Y43 L47 L148 R154Q35-L152 PolarHBondContact NE2-O 3.05Å; Y43-L152 WeakPolarHBondContact OH-CD2 3.34Å; L47-L152 HydrophobicContact CD1-CD2 3.94Å; L148-L152 HydrophobicContact CD1-CD1 4.04Å; L148-L152 HydrophobicContact CD1-CG 4.1Å; L148-L152 HydrophobicContact CG-CD1 3.99Å; L148-L152 HydrophobicContact CG-CG 4.42Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 3.11Å; L152-R154 VanDerWaalsContact C-N 3.34Å
153S88.1Confident87.6Confident56 Ų5668.3 Ų68.339%0.39236%0.364SS..Hα-helixtrans-73.3-25.5176.475.10000113.9D149 V150 F151D149-S153 WeakPolarHBondContact O-CB 3.27Å; D149-S153 PolarHBondContact O-N 2.88Å; D149-S153 PolarHBondContact O-OG 3.42Å; V150-S153 PolarHBondContact O-N 3.09Å; V150-S153 PolarHBondContact O-OG 3.43Å; F151-S153 VanDerWaalsContact C-N 3.27Å; F151-S153 PolarHBondContact O-N 3.42Å
154R89.4Confident89Confident144 Ų14464 Ų6454%0.54334%0.344SS..Hα-helixtrans-101.5-30-172.8-72.8179.9-177.7-175.63.3113.1Q35 R36 V150 F151 L152Q35-R154 CarbonylContact C-O 3.58Å; Q35-R154 WeakPolarHBondContact CA-O 3.22Å; R36-R154 PolarHBondContact N-O 3.47Å; V150-R154 HydrophobicContact CG1-CG 4.46Å; V150-R154 WeakPolarHBondContact O-CB 3.38Å; V150-R154 VanDerWaalsContact O-CG 3.29Å; V150-R154 WeakPolarHBondContact O-CG 3.37Å; V150-R154 PolarHBondContact O-N 3.07Å; V150-R154 VanDerWaalsContact O-N 3.17Å; F151-R154 PolarHBondContact O-N 2.69Å; L152-R154 VanDerWaalsContact C-N 3.34Å
155Y91Very high90.1Very high50 Ų5065.1 Ų65.120%0.19634%0.34CS..EExtended strand (participates in β ladder)trans-120.9147.8-173.3-57.7-80.7000111.4R36 L38 F151R36-Y155 HydrophobicContact CB-CD1 3.83Å; R36-Y155 HydrophobicContact CB-CE1 4.15Å; R36-Y155 VanDerWaalsContact O-CA 3.3Å; R36-Y155 WeakPolarHBondContact O-CA 3.31Å; L38-Y155 HydrophobicContact CD1-CD1 3.46Å; L38-Y155 VanDerWaalsContact CD1-CD1 3.46Å; L38-Y155 HydrophobicContact CD1-CE1 4.09Å; L38-Y155 HydrophobicContact CD1-CG 3.85Å; L38-Y155 HydrophobicContact CD2-CD1 4.17Å; L38-Y155 HydrophobicContact CD2-CE1 4.4Å; L38-Y155 HydrophobicContact CG-CD1 3.73Å; L38-Y155 HydrophobicContact CG-CE1 4.42Å; L38-Y155 HydrophobicContact CG-CG 4.45Å; F151-Y155 AromaticContact CD2-CD2 3.49Å; F151-Y155 HydrophobicContact CD2-CD2 3.49Å; F151-Y155 VanDerWaalsContact CD2-CD2 3.49Å; F151-Y155 AromaticContact CD2-CE2 3.84Å; F151-Y155 HydrophobicContact CD2-CE2 3.84Å; F151-Y155 HydrophobicContact CD2-CG 4.41Å; F151-Y155 AromaticContact CE2-CD2 3.65Å; F151-Y155 HydrophobicContact CE2-CD2 3.65Å; F151-Y155 HydrophobicContact CE2-CE2 4.07Å; F151-Y155 HydrophobicContact CE2-CG 4.18Å; F151-Y155 HydrophobicContact CG-CD2 4.03Å; F151-Y155 HydrophobicContact CZ-CD2 4.3Å; F151-Y155 HydrophobicContact CZ-CG 4.48Å; F151-Y155 WeakPolarHBondContact O-CD2 3.44Å; F151-Y155 PolarHBondContact O-N 3.04Å
156T93.1Very high90.9Very high11 Ų1167.3 Ų67.37%0.06735%0.351CS..EExtended strand (participates in β ladder)trans-135.7151.7171.9179.30000108.7Q35 R36 V37 L38 N160Q35-T156 HydrophobicContact CB-CG2 3.66Å; R36-T156 PolarHBondContact O-N 3.33Å; V37-T156 WeakPolarHBondContact CA-O 3.49Å; V37-T156 HydrophobicContact CB-CG2 4.41Å; V37-T156 HydrophobicContact CG2-CG2 3.89Å; L38-T156 PolarHBondContact N-O 2.97Å; T156-N160 PolarHBondContact OG1-ND2 3.36Å
157S93.9Very high91.3Very high17 Ų1769 Ų6912%0.11936%0.357CS..EExtended strand (participates in β ladder)trans-71.2153.6172.454.70000112.8L38 E40 D159 N160 A161L38-S157 CarbonylContact O-C 2.88Å; E40-S157 WeakPolarHBondContact OE2-CB 3.34Å; S157-D159 VanDerWaalsContact C-N 3.29Å; S157-D159 PolarHBondContact O-N 3.08Å; S157-N160 PolarHBondContact O-N 3.24Å; S157-N160 WeakPolarHBondContact OG-CB 3.47Å; S157-N160 PolarHBondContact OG-N 3.43Å; S157-A161 PolarHBondContact O-N 3.05Å; S157-A161 VanDerWaalsContact O-N 3.08Å
158E93.4Very high91.5Very high100 Ų10071.7 Ų71.747%0.46736%0.362SS..Hα-helixtrans-51.9-46.9168.8-173.6-174.3171.900111.5V37 L38 N160 A161 S162V37-E158 HydrophobicContact CG1-CB 4.23Å; L38-E158 PolarHBondContact O-N 3.47Å; E158-N160 VanDerWaalsContact C-N 3.32Å; E158-N160 PolarHBondContact O-N 2.91Å; E158-A161 PolarHBondContact O-N 2.93Å; E158-S162 VanDerWaalsContact O-CB 3.3Å; E158-S162 WeakPolarHBondContact O-CB 3.25Å; E158-S162 PolarHBondContact O-N 3Å
159D94Very high91.8Very high103 Ų10374 Ų7455%0.55138%0.378SS*.Hα-helixtrans-59.9-40.6179.1-947.5000112.3S157 F163S157-D159 VanDerWaalsContact C-N 3.29Å; S157-D159 PolarHBondContact O-N 3.08Å; D159-F163 WeakPolarHBondContact O-CB 3.33Å; D159-F163 PolarHBondContact O-N 2.95Å
160N91.2Very high92.1Very high63 Ų6370 Ų7034%0.33736%0.363SS..Hα-helixtrans-69.8-39.5178-176.655000111.8T156 S157 E158 F163 Q164T156-N160 PolarHBondContact OG1-ND2 3.36Å; S157-N160 PolarHBondContact O-N 3.24Å; S157-N160 WeakPolarHBondContact OG-CB 3.47Å; S157-N160 PolarHBondContact OG-N 3.43Å; E158-N160 VanDerWaalsContact C-N 3.32Å; E158-N160 PolarHBondContact O-N 2.91Å; N160-F163 PolarHBondContact O-N 3.39Å; N160-Q164 PolarHBondContact ND2-NE2 3.01Å; N160-Q164 WeakPolarHBondContact O-CG 3.48Å; N160-Q164 PolarHBondContact O-N 3.37Å; N160-Q164 VanDerWaalsContact O-N 3.12Å
161A91.8Very high92.2Very high28 Ų2874.3 Ų74.323%0.23138%0.378CS..Hα-helixtrans-65-44.7175.500000111.6V37 S157 E158 F163 Q164 E165V37-A161 HydrophobicContact CB-CB 4.5Å; V37-A161 HydrophobicContact CG1-CB 3.88Å; V37-A161 HydrophobicContact CG2-CB 3.73Å; S157-A161 PolarHBondContact O-N 3.05Å; S157-A161 VanDerWaalsContact O-N 3.08Å; E158-A161 PolarHBondContact O-N 2.93Å; A161-F163 PolarHBondContact O-N 2.94Å; A161-Q164 WeakPolarHBondContact O-CB 3.48Å; A161-Q164 PolarHBondContact O-N 3.34Å; A161-E165 PolarHBondContact O-N 3.14Å
162S92.9Very high92.3Very high50 Ų5080.1 Ų80.135%0.3541%0.405SS..Hα-helixtrans-59.8-43.1174.8173.70000112E158 Q164 E165 I166E158-S162 VanDerWaalsContact O-CB 3.3Å; E158-S162 WeakPolarHBondContact O-CB 3.25Å; E158-S162 PolarHBondContact O-N 3Å; S162-Q164 VanDerWaalsContact C-N 3.33Å; S162-Q164 PolarHBondContact O-N 3.03Å; S162-E165 PolarHBondContact O-N 2.97Å; S162-I166 WeakPolarHBondContact O-CG1 3.45Å; S162-I166 PolarHBondContact O-N 2.67Å
163F92.7Very high92.6Very high121 Ų12184.8 Ų84.853%0.53142%0.418SS..Hα-helixtrans-61.7-41.2176.4178.9-102.9000112.4D159 N160 A161 I166 M167D159-F163 WeakPolarHBondContact O-CB 3.33Å; D159-F163 PolarHBondContact O-N 2.95Å; N160-F163 PolarHBondContact O-N 3.39Å; A161-F163 PolarHBondContact O-N 2.94Å; F163-I166 PolarHBondContact O-N 3.48Å; F163-M167 HydrophobicContact CD1-CG 4.25Å; F163-M167 HydrophobicContact CE1-CG 3.79Å; F163-M167 HydrophobicContact CE1-SD 4.47Å; F163-M167 HydrophobicContact CE2-CG 4.16Å; F163-M167 HydrophobicContact CE2-SD 4.41Å; F163-M167 HydrophobicContact CZ-CG 3.74Å; F163-M167 HydrophobicContact CZ-SD 3.94Å; F163-M167 VanDerWaalsContact O-CG 3.29Å; F163-M167 WeakPolarHBondContact O-CG 3.35Å; F163-M167 PolarHBondContact O-N 3.23Å
164Q90.9Very high92.7Very high75 Ų7584.3 Ų84.335%0.3542%0.415SS..Hα-helixtrans-62.2-44.4175.8-70.9175.326.300111.3N160 A161 S162 I166 M167 E168N160-Q164 PolarHBondContact ND2-NE2 3.01Å; N160-Q164 WeakPolarHBondContact O-CG 3.48Å; N160-Q164 PolarHBondContact O-N 3.37Å; N160-Q164 VanDerWaalsContact O-N 3.12Å; A161-Q164 WeakPolarHBondContact O-CB 3.48Å; A161-Q164 PolarHBondContact O-N 3.34Å; S162-Q164 VanDerWaalsContact C-N 3.33Å; S162-Q164 PolarHBondContact O-N 3.03Å; Q164-I166 PolarHBondContact O-N 3.3Å; Q164-M167 WeakPolarHBondContact O-CB 3.45Å; Q164-M167 PolarHBondContact O-N 3.14Å; Q164-M167 VanDerWaalsContact O-N 3.17Å; Q164-E168 WeakPolarHBondContact O-CG 3.27Å; Q164-E168 PolarHBondContact O-N 2.74Å
165E92.9Very high92.8Very high128 Ų12884.6 Ų84.660%0.59842%0.416SS*.Hα-helixtrans-60.1-46.8176-174.2178.4-179.800111.6A161 S162 M167 E168 V169A161-E165 PolarHBondContact O-N 3.14Å; S162-E165 PolarHBondContact O-N 2.97Å; E165-M167 PolarHBondContact O-N 2.87Å; E165-E168 PolarHBondContact O-N 2.94Å; E165-E168 VanDerWaalsContact O-N 3.11Å; E165-V169 WeakPolarHBondContact O-CG2 3.46Å; E165-V169 PolarHBondContact O-N 3.1Å
166I94.6Very high92.9Very high99 Ų9985.7 Ų85.751%0.50844%0.435SS..Hα-helixtrans-59.9-37.9176.7-67.5166.5000111.1S162 F163 Q164 A170S162-I166 WeakPolarHBondContact O-CG1 3.45Å; S162-I166 PolarHBondContact O-N 2.67Å; F163-I166 PolarHBondContact O-N 3.48Å; Q164-I166 PolarHBondContact O-N 3.3Å; I166-A170 VanDerWaalsContact O-CB 3.29Å; I166-A170 WeakPolarHBondContact O-CB 3.29Å; I166-A170 PolarHBondContact O-N 3.19Å
167M91.6Very high92.9Very high74 Ų7493.7 Ų93.737%0.36546%0.464SS..Hα-helixtrans-66.6-39.4175.8-72.9-7380.700112.9F163 Q164 E165 A170 K171F163-M167 HydrophobicContact CD1-CG 4.25Å; F163-M167 HydrophobicContact CE1-CG 3.79Å; F163-M167 HydrophobicContact CE1-SD 4.47Å; F163-M167 HydrophobicContact CE2-CG 4.16Å; F163-M167 HydrophobicContact CE2-SD 4.41Å; F163-M167 HydrophobicContact CZ-CG 3.74Å; F163-M167 HydrophobicContact CZ-SD 3.94Å; F163-M167 VanDerWaalsContact O-CG 3.29Å; F163-M167 WeakPolarHBondContact O-CG 3.35Å; F163-M167 PolarHBondContact O-N 3.23Å; Q164-M167 WeakPolarHBondContact O-CB 3.45Å; Q164-M167 PolarHBondContact O-N 3.14Å; Q164-M167 VanDerWaalsContact O-N 3.17Å; E165-M167 PolarHBondContact O-N 2.87Å; M167-A170 HydrophobicContact CE-CB 4.14Å; M167-A170 PolarHBondContact O-N 3.25Å; M167-K171 WeakPolarHBondContact O-CB 3.26Å; M167-K171 VanDerWaalsContact O-CG 3.24Å; M167-K171 WeakPolarHBondContact O-CG 3.28Å; M167-K171 PolarHBondContact O-N 3.06Å
168E91.9Very high92.9Very high113 Ų11396.7 Ų96.753%0.52848%0.476SS..Hα-helixtrans-64.2-49.1173.9-70.9-179.1175.600111.3Q164 E165 A170 K171 E172Q164-E168 WeakPolarHBondContact O-CG 3.27Å; Q164-E168 PolarHBondContact O-N 2.74Å; E165-E168 PolarHBondContact O-N 2.94Å; E165-E168 VanDerWaalsContact O-N 3.11Å; E168-A170 VanDerWaalsContact C-N 3.3Å; E168-A170 PolarHBondContact O-N 3.03Å; E168-K171 CarbonylContact O-C 3.13Å; E168-K171 WeakPolarHBondContact O-CA 3.41Å; E168-K171 WeakPolarHBondContact O-CB 3.48Å; E168-K171 PolarHBondContact O-N 3.14Å; E168-E172 WeakPolarHBondContact O-CG 3.4Å; E168-E172 PolarHBondContact O-N 3.24Å
169V96.1Very high92.9Very high80 Ų8093.6 Ų93.649%0.48547%0.467SS..Hα-helixtrans-59.1-40.6176.6173.30000111.5E165 E172 R173E165-V169 WeakPolarHBondContact O-CG2 3.46Å; E165-V169 PolarHBondContact O-N 3.1Å; V169-E172 PolarHBondContact O-N 3.02Å; V169-R173 VanDerWaalsContact O-CB 3.31Å; V169-R173 WeakPolarHBondContact O-CB 3.3Å; V169-R173 PolarHBondContact O-N 3.08Å
170A95.3Very high92.8Very high45 Ų4596.7 Ų96.737%0.37247%0.472SS..Hα-helixtrans-64.7-40.9175.600000112I166 M167 E168 S174I166-A170 VanDerWaalsContact O-CB 3.29Å; I166-A170 WeakPolarHBondContact O-CB 3.29Å; I166-A170 PolarHBondContact O-N 3.19Å; M167-A170 HydrophobicContact CE-CB 4.14Å; M167-A170 PolarHBondContact O-N 3.25Å; E168-A170 VanDerWaalsContact C-N 3.3Å; E168-A170 PolarHBondContact O-N 3.03Å; A170-S174 VanDerWaalsContact O-CB 3.3Å; A170-S174 WeakPolarHBondContact O-CB 3.39Å; A170-S174 PolarHBondContact O-N 3.22Å
171K90.7Very high92.7Very high135 Ų13595.2 Ų95.259%0.58746%0.463SS*.Hα-helixtrans-63.4-45.2174.2-74.4169.4-175.5174.40111M167 E168 S174 R175M167-K171 WeakPolarHBondContact O-CB 3.26Å; M167-K171 VanDerWaalsContact O-CG 3.24Å; M167-K171 WeakPolarHBondContact O-CG 3.28Å; M167-K171 PolarHBondContact O-N 3.06Å; E168-K171 CarbonylContact O-C 3.13Å; E168-K171 WeakPolarHBondContact O-CA 3.41Å; E168-K171 WeakPolarHBondContact O-CB 3.48Å; E168-K171 PolarHBondContact O-N 3.14Å; K171-S174 WeakPolarHBondContact O-CB 3.43Å; K171-S174 PolarHBondContact O-N 2.8Å; K171-R175 WeakPolarHBondContact O-CB 3.41Å; K171-R175 WeakPolarHBondContact O-CG 3.27Å; K171-R175 PolarHBondContact O-N 3.39Å
172E93.1Very high92.5Very high124 Ų12495.7 Ų95.758%0.57946%0.46SS*.Hα-helixtrans-62.7-46.4177.3-73-177.7173.300112.1E168 V169 S174 R175 A176E168-E172 WeakPolarHBondContact O-CG 3.4Å; E168-E172 PolarHBondContact O-N 3.24Å; V169-E172 PolarHBondContact O-N 3.02Å; E172-S174 VanDerWaalsContact C-N 3.27Å; E172-S174 PolarHBondContact O-N 3.14Å; E172-R175 CarbonylContact O-C 3.54Å; E172-R175 WeakPolarHBondContact O-CB 3.38Å; E172-R175 PolarHBondContact O-N 3.3Å; E172-R175 VanDerWaalsContact O-N 3.11Å; E172-A176 WeakPolarHBondContact O-CB 3.36Å; E172-A176 PolarHBondContact O-N 3.32Å
173R95.8Very high92.5Very high164 Ų16498.4 Ų98.462%0.61947%0.467SS*.Hα-helixtrans-60.6-39.6175.4-171.7178.7-174.9-177.53.3111.7V169 R177V169-R173 VanDerWaalsContact O-CB 3.31Å; V169-R173 WeakPolarHBondContact O-CB 3.3Å; V169-R173 PolarHBondContact O-N 3.08Å; R173-R177 WeakPolarHBondContact O-CG 3.45Å; R173-R177 PolarHBondContact O-N 2.92Å
174S90.3Very high92.3Very high46 Ų4694.5 Ų94.532%0.32246%0.457SS..Hα-helixtrans-65.9-41.1174.5-172.20000111.8A170 K171 E172 R177 H178A170-S174 VanDerWaalsContact O-CB 3.3Å; A170-S174 WeakPolarHBondContact O-CB 3.39Å; A170-S174 PolarHBondContact O-N 3.22Å; K171-S174 WeakPolarHBondContact O-CB 3.43Å; K171-S174 PolarHBondContact O-N 2.8Å; E172-S174 VanDerWaalsContact C-N 3.27Å; E172-S174 PolarHBondContact O-N 3.14Å; S174-R177 PolarHBondContact O-N 3.02Å; S174-H178 PolarHBondContact O-N 2.91Å; S174-H178 VanDerWaalsContact O-N 3.12Å; S174-H178 PolarHBondContact O-ND1 3.17Å
175R90.8Very high92.3Very high150 Ų15092.6 Ų92.657%0.56645%0.448SS*.Hα-helixtrans-62.3-46.7174.1-77.8179.1174.8174.9-1.2111.9K171 E172 R177 H178 A179 Y182K171-R175 WeakPolarHBondContact O-CB 3.41Å; K171-R175 WeakPolarHBondContact O-CG 3.27Å; K171-R175 PolarHBondContact O-N 3.39Å; E172-R175 CarbonylContact O-C 3.54Å; E172-R175 WeakPolarHBondContact O-CB 3.38Å; E172-R175 PolarHBondContact O-N 3.3Å; E172-R175 VanDerWaalsContact O-N 3.11Å; R175-R177 PolarHBondContact O-N 3.18Å; R175-H178 CarbonylContact O-C 3.59Å; R175-H178 PolarHBondContact O-N 3.15Å; R175-H178 VanDerWaalsContact O-N 3.13Å; R175-A179 WeakPolarHBondContact O-CA 3.44Å; R175-A179 PolarHBondContact O-N 3.09Å; R175-Y182 HydrophobicContact CB-CD2 4.31Å; R175-Y182 HydrophobicContact CB-CE2 4.03Å; R175-Y182 HydrophobicContact CG-CD2 4.25Å; R175-Y182 HydrophobicContact CG-CE1 4.29Å; R175-Y182 HydrophobicContact CG-CE2 3.73Å
176A93.8Very high92.2Very high73 Ų7391.5 Ų91.560%0.60344%0.443SS*.Hα-helixtrans-61.6-41.1177.900000112.3E172 H178 A179E172-A176 WeakPolarHBondContact O-CB 3.36Å; E172-A176 PolarHBondContact O-N 3.32Å; A176-H178 VanDerWaalsContact C-N 3.29Å; A176-H178 PolarHBondContact O-N 2.93Å; A176-A179 WeakPolarHBondContact O-CB 3.45Å; A176-A179 PolarHBondContact O-N 3.48Å
177R94.2Very high92Very high179 Ų17991.1 Ų91.168%0.67544%0.439SS*.Hα-helixtrans-62.8-36.3174.5-78180168.2-169-3.3112.9R173 S174 R175R173-R177 WeakPolarHBondContact O-CG 3.45Å; R173-R177 PolarHBondContact O-N 2.92Å; S174-R177 PolarHBondContact O-N 3.02Å; R175-R177 PolarHBondContact O-N 3.18Å
178H92.5Very high91.8Very high80 Ų8090.1 Ų90.137%0.3743%0.433SS..THydrogen-bonded Turntrans-106.132.3-179.8-5792.2000111.7S174 R175 A176 W180 L181 Y182S174-H178 PolarHBondContact O-N 2.91Å; S174-H178 VanDerWaalsContact O-N 3.12Å; S174-H178 PolarHBondContact O-ND1 3.17Å; R175-H178 CarbonylContact O-C 3.59Å; R175-H178 PolarHBondContact O-N 3.15Å; R175-H178 VanDerWaalsContact O-N 3.13Å; A176-H178 VanDerWaalsContact C-N 3.29Å; A176-H178 PolarHBondContact O-N 2.93Å; H178-W180 PolarHBondContact O-N 3.31Å; H178-W180 VanDerWaalsContact O-N 3.09Å; H178-L181 HydrophobicContact CB-CD1 4.1Å; H178-L181 WeakPolarHBondContact O-CB 3.29Å; H178-L181 PolarHBondContact O-N 2.93Å; H178-Y182 HydrophobicContact CB-CE2 4.11Å; H178-Y182 VanDerWaalsContact O-CD2 3.27Å; H178-Y182 WeakPolarHBondContact O-CD2 3.42Å
179A93.5Very high91.7Very high35 Ų3588.9 Ų88.929%0.28943%0.427SS..Hα-helixtrans-54.3-36.7-173.900000112.1R175 A176 L181 Y182 Q183R175-A179 WeakPolarHBondContact O-CA 3.44Å; R175-A179 PolarHBondContact O-N 3.09Å; A176-A179 WeakPolarHBondContact O-CB 3.45Å; A176-A179 PolarHBondContact O-N 3.48Å; A179-L181 VanDerWaalsContact C-N 3.27Å; A179-L181 PolarHBondContact O-N 3.43Å; A179-Y182 PolarHBondContact O-N 3.37Å; A179-Y182 VanDerWaalsContact O-N 3.16Å; A179-Q183 WeakPolarHBondContact O-CB 3.31Å; A179-Q183 VanDerWaalsContact O-CG 3.24Å; A179-Q183 WeakPolarHBondContact O-CG 3.47Å; A179-Q183 PolarHBondContact O-N 2.83Å
180W91.6Very high91.4Very high168 Ų16890.8 Ų90.864%0.63643%0.429SS*.Hα-helixtrans-58-33.5177.968.9-90.9000114H178 A184H178-W180 PolarHBondContact O-N 3.31Å; H178-W180 VanDerWaalsContact O-N 3.09Å; W180-A184 PolarHBondContact O-N 2.9Å
181L89.3Confident91Very high32 Ų3295.3 Ų95.317%0.16844%0.436CS..Hα-helixtrans-68.6-44.2177-78.6175.6000111.2H178 A179 E185 A220H178-L181 HydrophobicContact CB-CD1 4.1Å; H178-L181 WeakPolarHBondContact O-CB 3.29Å; H178-L181 PolarHBondContact O-N 2.93Å; A179-L181 VanDerWaalsContact C-N 3.27Å; A179-L181 PolarHBondContact O-N 3.43Å; L181-E185 PolarHBondContact O-N 3.14Å; L181-A220 HydrophobicContact CB-CB 4.1Å
182Y89.3Confident90.8Very high38 Ų3890 Ų9015%0.14941%0.413CS..Hα-helixtrans-77.1-32.4-177.7-59.1-77.1000111.8R175 H178 A179 A184 E185 E186 A220 K221R175-Y182 HydrophobicContact CB-CD2 4.31Å; R175-Y182 HydrophobicContact CB-CE2 4.03Å; R175-Y182 HydrophobicContact CG-CD2 4.25Å; R175-Y182 HydrophobicContact CG-CE1 4.29Å; R175-Y182 HydrophobicContact CG-CE2 3.73Å; H178-Y182 HydrophobicContact CB-CE2 4.11Å; H178-Y182 VanDerWaalsContact O-CD2 3.27Å; H178-Y182 WeakPolarHBondContact O-CD2 3.42Å; A179-Y182 PolarHBondContact O-N 3.37Å; A179-Y182 VanDerWaalsContact O-N 3.16Å; Y182-A184 VanDerWaalsContact C-N 3.32Å; Y182-A184 PolarHBondContact O-N 2.89Å; Y182-E185 WeakPolarHBondContact O-CB 3.43Å; Y182-E185 PolarHBondContact O-N 3.37Å; Y182-E185 VanDerWaalsContact O-N 3.13Å; Y182-E186 WeakPolarHBondContact O-CG 3.18Å; Y182-E186 PolarHBondContact O-N 2.83Å; Y182-A220 HydrophobicContact CD1-CB 4.48Å; Y182-K221 WeakPolarHBondContact OH-CE 3.44Å; Y182-K221 PolarHBondContact OH-NZ 2.85Å
183Q91.1Very high90.5Very high108 Ų10889.5 Ų89.551%0.50541%0.409SS..Hα-helixtrans-60.6-41.8171.7-75.1169.5-4.400111.7A179 E185 E186 E187A179-Q183 WeakPolarHBondContact O-CB 3.31Å; A179-Q183 VanDerWaalsContact O-CG 3.24Å; A179-Q183 WeakPolarHBondContact O-CG 3.47Å; A179-Q183 PolarHBondContact O-N 2.83Å; Q183-E185 VanDerWaalsContact C-N 3.27Å; Q183-E185 PolarHBondContact O-N 3.11Å; Q183-E186 PolarHBondContact O-N 3.38Å; Q183-E187 WeakPolarHBondContact O-CB 3.35Å; Q183-E187 WeakPolarHBondContact O-CG 3.34Å; Q183-E187 PolarHBondContact O-N 2.91Å
184A89.8Confident89.9Confident38 Ų3886.7 Ų86.731%0.31441%0.406SS..Hα-helixtrans-63.3-34.4175.100000112.3W180 Y182 F188 Y218W180-A184 PolarHBondContact O-N 2.9Å; Y182-A184 VanDerWaalsContact C-N 3.32Å; Y182-A184 PolarHBondContact O-N 2.89Å; A184-F188 WeakPolarHBondContact O-CB 3.38Å; A184-F188 PolarHBondContact O-N 3.21Å; A184-Y218 HydrophobicContact CB-CE1 4.35Å
185E90.3Very high89.5Confident36 Ų3688.4 Ų88.417%0.16841%0.412CS..Hα-helixtrans-66.8-48.7174.2-173.1169-16500111.8L181 Y182 Q183 E187 F188 E189 Y218 K219 A220L181-E185 PolarHBondContact O-N 3.14Å; Y182-E185 WeakPolarHBondContact O-CB 3.43Å; Y182-E185 PolarHBondContact O-N 3.37Å; Y182-E185 VanDerWaalsContact O-N 3.13Å; Q183-E185 VanDerWaalsContact C-N 3.27Å; Q183-E185 PolarHBondContact O-N 3.11Å; E185-E187 PolarHBondContact O-N 3.02Å; E185-F188 PolarHBondContact O-N 3.17Å; E185-E189 WeakPolarHBondContact O-CG 3.3Å; E185-E189 PolarHBondContact O-N 3.41Å; E185-Y218 HydrophobicContact CB-CD1 3.96Å; E185-Y218 HydrophobicContact CB-CE1 3.93Å; E185-Y218 HydrophobicContact CG-CD1 4.22Å; E185-K219 VanDerWaalsContact OE1-CA 3.27Å; E185-K219 WeakPolarHBondContact OE1-CA 3.36Å; E185-A220 VanDerWaalsContact OE2-CB 3.27Å; E185-A220 WeakPolarHBondContact OE2-CB 3.45Å; E185-A220 PolarHBondContact OE2-N 2.78Å; E185-A220 VanDerWaalsContact OE2-N 3.12Å
186E89.9Confident89.1Confident105 Ų10586 Ų8649%0.49141%0.41SS..Hα-helixtrans-61.9-41.4176.1-70.2176.5-163.700113Y182 Q183 E189 K190Y182-E186 WeakPolarHBondContact O-CG 3.18Å; Y182-E186 PolarHBondContact O-N 2.83Å; Q183-E186 PolarHBondContact O-N 3.38Å; E186-E189 PolarHBondContact O-N 3.4Å; E186-K190 WeakPolarHBondContact O-CB 3.16Å; E186-K190 VanDerWaalsContact O-CG 3.29Å; E186-K190 WeakPolarHBondContact O-CG 3.19Å; E186-K190 PolarHBondContact O-N 3.46Å
187E90.9Very high88.5Confident91 Ų9188.7 Ų88.743%0.42541%0.41SS..Hα-helixtrans-63.6-42.6175.8-79-174.7-163.600111.8Q183 E185 K190 R191Q183-E187 WeakPolarHBondContact O-CB 3.35Å; Q183-E187 WeakPolarHBondContact O-CG 3.34Å; Q183-E187 PolarHBondContact O-N 2.91Å; E185-E187 PolarHBondContact O-N 3.02Å; E187-K190 PolarHBondContact O-N 2.91Å; E187-R191 WeakPolarHBondContact O-CB 2.91Å; E187-R191 VanDerWaalsContact O-CG 3.31Å; E187-R191 WeakPolarHBondContact O-CG 3.27Å; E187-R191 PolarHBondContact O-N 3.27Å; E187-R191 IonicContact OE2-CZ 3.02Å; E187-R191 IonicContact OE2-NH1 3.1Å; E187-R191 IonicContact OE2-NH2 2.89Å; E187-R191 PolarHBondContact OE2-NH2 2.98Å
188F88.5Confident87.3Confident53 Ų5386.5 Ų86.523%0.23241%0.411CS..Hα-helixtrans-63.9-43.5176.2-176.3-90.2000110.9A184 E185 K190 R191 Q192 T215 W216 Y218A184-F188 WeakPolarHBondContact O-CB 3.38Å; A184-F188 PolarHBondContact O-N 3.21Å; E185-F188 PolarHBondContact O-N 3.17Å; F188-K190 PolarHBondContact O-N 2.99Å; F188-R191 PolarHBondContact O-N 2.93Å; F188-Q192 HydrophobicContact CD1-CG 3.7Å; F188-Q192 HydrophobicContact CE1-CG 3.28Å; F188-Q192 HydrophobicContact CE2-CG 4.48Å; F188-Q192 HydrophobicContact CG-CG 4.46Å; F188-Q192 HydrophobicContact CZ-CG 3.74Å; F188-Q192 WeakPolarHBondContact O-CB 3.36Å; F188-Q192 VanDerWaalsContact O-CG 3.31Å; F188-Q192 WeakPolarHBondContact O-CG 3.36Å; F188-Q192 PolarHBondContact O-N 3.21Å; F188-T215 WeakPolarHBondContact CZ-OG1 3.4Å; F188-W216 WeakPolarHBondContact CE1-O 3.45Å; F188-W216 WeakPolarHBondContact CZ-O 3.22Å; F188-Y218 HydrophobicContact CB-CD1 4.39Å; F188-Y218 VanDerWaalsContact CD1-CB 3.43Å; F188-Y218 HydrophobicContact CG-CG 4.41Å
189E89.6Confident86.2Confident87 Ų8785.2 Ų85.241%0.40741%0.409SS..Hα-helixtrans-61.3-42.3175.5-75.6-166.1165.800112.8E185 E186 Q192 K193E185-E189 WeakPolarHBondContact O-CG 3.3Å; E185-E189 PolarHBondContact O-N 3.41Å; E186-E189 PolarHBondContact O-N 3.4Å; E189-Q192 PolarHBondContact O-N 2.91Å; E189-K193 WeakPolarHBondContact O-CB 3.36Å; E189-K193 VanDerWaalsContact O-CG 3.29Å; E189-K193 WeakPolarHBondContact O-CG 3.27Å; E189-K193 PolarHBondContact O-N 2.94Å
190K89.7Confident85.4Confident120 Ų12087 Ų8752%0.52242%0.42SS..Hα-helixtrans-60.2-51.4174.1-73.8169-174169.10110.7E186 E187 F188 Q192 K193 D194E186-K190 WeakPolarHBondContact O-CB 3.16Å; E186-K190 VanDerWaalsContact O-CG 3.29Å; E186-K190 WeakPolarHBondContact O-CG 3.19Å; E186-K190 PolarHBondContact O-N 3.46Å; E187-K190 PolarHBondContact O-N 2.91Å; F188-K190 PolarHBondContact O-N 2.99Å; K190-Q192 VanDerWaalsContact C-N 3.27Å; K190-Q192 PolarHBondContact O-N 3.49Å; K190-K193 WeakPolarHBondContact O-CB 3.31Å; K190-K193 PolarHBondContact O-N 3.35Å; K190-K193 VanDerWaalsContact O-N 3.09Å; K190-D194 PolarHBondContact O-N 3.1Å
191R87Confident84.4Confident139 Ų13982.6 Ų82.653%0.52542%0.42SS..Hα-helixtrans-58.9-37.8176.4-70.6178.5-167.8129.412.4112.4E187 F188 N195E187-R191 WeakPolarHBondContact O-CB 2.91Å; E187-R191 VanDerWaalsContact O-CG 3.31Å; E187-R191 WeakPolarHBondContact O-CG 3.27Å; E187-R191 PolarHBondContact O-N 3.27Å; E187-R191 IonicContact OE2-CZ 3.02Å; E187-R191 IonicContact OE2-NH1 3.1Å; E187-R191 IonicContact OE2-NH2 2.89Å; E187-R191 PolarHBondContact OE2-NH2 2.98Å; F188-R191 PolarHBondContact O-N 2.93Å; R191-N195 VanDerWaalsContact O-CB 3.27Å; R191-N195 WeakPolarHBondContact O-CB 3.31Å; R191-N195 PolarHBondContact O-N 3.38Å; R191-N195 PolarHBondContact O-ND2 3.27Å
192Q85.9Confident83.6Confident24 Ų2488.1 Ų88.111%0.11244%0.444CS..Hα-helixtrans-65.9-44.9175.2-77.1-57.9-66.900111.6F188 E189 K190 N195 L196 T215F188-Q192 HydrophobicContact CD1-CG 3.7Å; F188-Q192 HydrophobicContact CE1-CG 3.28Å; F188-Q192 HydrophobicContact CE2-CG 4.48Å; F188-Q192 HydrophobicContact CG-CG 4.46Å; F188-Q192 HydrophobicContact CZ-CG 3.74Å; F188-Q192 WeakPolarHBondContact O-CB 3.36Å; F188-Q192 VanDerWaalsContact O-CG 3.31Å; F188-Q192 WeakPolarHBondContact O-CG 3.36Å; F188-Q192 PolarHBondContact O-N 3.21Å; E189-Q192 PolarHBondContact O-N 2.91Å; K190-Q192 VanDerWaalsContact C-N 3.27Å; K190-Q192 PolarHBondContact O-N 3.49Å; Q192-N195 PolarHBondContact O-N 2.95Å; Q192-L196 WeakPolarHBondContact O-CB 3.33Å; Q192-L196 WeakPolarHBondContact O-CD1 3.34Å; Q192-L196 WeakPolarHBondContact O-CG 3.28Å; Q192-L196 PolarHBondContact O-N 2.83Å; Q192-T215 PolarHBondContact NE2-OG1 3.16Å; Q192-T215 PolarHBondContact OE1-OG1 3.17Å
193K86Confident82.5Confident114 Ų11491.8 Ų91.850%0.49646%0.463SS..Hα-helixtrans-60-50.1175.1-73.1170.1-175.6169.50110.7E189 K190 N195 L196 E197E189-K193 WeakPolarHBondContact O-CB 3.36Å; E189-K193 VanDerWaalsContact O-CG 3.29Å; E189-K193 WeakPolarHBondContact O-CG 3.27Å; E189-K193 PolarHBondContact O-N 2.94Å; K190-K193 WeakPolarHBondContact O-CB 3.31Å; K190-K193 PolarHBondContact O-N 3.35Å; K190-K193 VanDerWaalsContact O-N 3.09Å; K193-N195 VanDerWaalsContact C-N 3.27Å; K193-N195 PolarHBondContact O-N 3.49Å; K193-L196 CarbonylContact O-C 3.57Å; K193-L196 PolarHBondContact O-N 3.16Å; K193-E197 WeakPolarHBondContact O-CB 3.5Å; K193-E197 WeakPolarHBondContact O-CG 3.35Å; K193-E197 PolarHBondContact O-N 3.29Å
194D84.3Confident81.3Confident105 Ų10591 Ų9156%0.56146%0.459SS*.Hα-helixtrans-58.9-38178-60.3-19.9000112K190K190-D194 PolarHBondContact O-N 3.1Å
195N82.3Confident80.2Confident81 Ų8193.4 Ų93.443%0.43348%0.479SS..Hα-helixtrans-71.1-31176.1-78.2-32.1000113.7R191 Q192 K193 G212R191-N195 VanDerWaalsContact O-CB 3.27Å; R191-N195 WeakPolarHBondContact O-CB 3.31Å; R191-N195 PolarHBondContact O-N 3.38Å; R191-N195 PolarHBondContact O-ND2 3.27Å; Q192-N195 PolarHBondContact O-N 2.95Å; K193-N195 VanDerWaalsContact C-N 3.27Å; K193-N195 PolarHBondContact O-N 3.49Å; N195-G212 PolarHBondContact O-N 2.9Å
196L81.4Confident79.1Confident100 Ų10098.3 Ų98.352%0.52450%0.504SS..Hα-helixtrans-81.1-30177.3-81.1155.7000111.8Q192 K193 L198Q192-L196 WeakPolarHBondContact O-CB 3.33Å; Q192-L196 WeakPolarHBondContact O-CD1 3.34Å; Q192-L196 WeakPolarHBondContact O-CG 3.28Å; Q192-L196 PolarHBondContact O-N 2.83Å; K193-L196 CarbonylContact O-C 3.57Å; K193-L196 PolarHBondContact O-N 3.16Å; L196-L198 PolarHBondContact O-N 2.93Å
197E81.6Confident77.8Confident129 Ų12999.7 Ų99.760%0.60351%0.511SS*.SBendtrans-70.2126.7177.3-75.7179.8-165.100110.2K193 P199K193-E197 WeakPolarHBondContact O-CB 3.5Å; K193-E197 WeakPolarHBondContact O-CG 3.35Å; K193-E197 PolarHBondContact O-N 3.29Å; E197-P199 WeakPolarHBondContact O-CD 3.38Å
198L68.8Low76.2Confident134 Ų134101.3 Ų101.370%0.70253%0.533SS*.PPolyproline II helixtrans-70.3125172.2-75.9162.7000108.3L196L196-L198 PolarHBondContact O-N 2.93Å
199P70.2Confident74.7Confident52 Ų52101.7 Ų101.734%0.33854%0.541SS..PPolyproline II helixtrans-58.1151.2176.9-19.428.7000110.7E197 H203 Q204E197-P199 WeakPolarHBondContact O-CD 3.38Å; P199-H203 HydrophobicContact CB-CB 4.23Å; P199-Q204 HydrophobicContact CB-CG 3.94Å; P199-Q204 HydrophobicContact CG-CG 4.37Å; P199-Q204 WeakPolarHBondContact O-CG 3.46Å; P199-Q204 PolarHBondContact O-NE2 2.96Å
200S75.4Confident73.4Confident73 Ų73106.4 Ų106.451%0.5156%0.564SS.*PPolyproline II helixtrans-55.8149.5174.7-175.40000111.1E202 H203 Q204S200-E202 PolarHBondContact O-N 3.39Å; S200-H203 PolarHBondContact O-N 3.44Å; S200-Q204 PolarHBondContact O-N 2.83Å
201A71.3Confident72.2Confident76 Ų76104.2 Ų104.263%0.62857%0.568SS**Hα-helixtrans-54.6-30.1-176.700000113.5A205A201-A205 PolarHBondContact O-N 2.89Å
202E73.2Confident71.2Confident147 Ų14799.2 Ų99.269%0.68756%0.559SS**Hα-helixtrans-69.8-37.7175.5-62.9-180169.800112.6S200 I206S200-E202 PolarHBondContact O-N 3.39Å; E202-I206 WeakPolarHBondContact O-CD1 3.23Å; E202-I206 WeakPolarHBondContact O-CG1 3.46Å
203H65.3Low70.7Confident116 Ų116103.9 Ų103.954%0.53759%0.589SS.*Hα-helixtrans-76.3-35.6177.4-69.6-66.9000111.9P199 S200 A205 I206 E207P199-H203 HydrophobicContact CB-CB 4.23Å; S200-H203 PolarHBondContact O-N 3.44Å; H203-A205 PolarHBondContact O-N 3.27Å; H203-I206 PolarHBondContact O-N 3.41Å; H203-E207 PolarHBondContact O-N 3Å
204Q65.8Low70.4Confident92 Ų92105.5 Ų105.543%0.4360%0.598SS.*Hα-helixtrans-64.2-26.9174.2-67-1770.600113.1P199 S200P199-Q204 HydrophobicContact CB-CG 3.94Å; P199-Q204 HydrophobicContact CG-CG 4.37Å; P199-Q204 WeakPolarHBondContact O-CG 3.46Å; P199-Q204 PolarHBondContact O-NE2 2.96Å; S200-Q204 PolarHBondContact O-N 2.83Å
205A66.3Low70.4Confident87 Ų87103.7 Ų103.772%0.71959%0.591SS**Hα-helixtrans-78.2-24.2178.500000113.2A201 H203A201-A205 PolarHBondContact O-N 2.89Å; H203-A205 PolarHBondContact O-N 3.27Å
206I68.4Low70.4Confident139 Ų139111.2 Ų111.271%0.71361%0.614SS**Hα-helixtrans-95.9-42.6-176.5-61.5167.4000110.7E202 H203E202-I206 WeakPolarHBondContact O-CD1 3.23Å; E202-I206 WeakPolarHBondContact O-CG1 3.46Å; H203-I206 PolarHBondContact O-N 3.41Å
207E62.2Low70.7Confident135 Ų135115.2 Ų115.263%0.63163%0.627SS**SBendtrans-114.4117.8176.7-70.3179.6172.700108.5H203 S209H203-E207 PolarHBondContact O-N 3Å; E207-S209 PolarHBondContact O-N 2.81Å
208S57.7Low70.9Confident125 Ų125113.5 Ų113.587%0.87462%0.616SS**  trans-71.965.7170.663.50000109.7
209S57.3Low71.9Confident60 Ų60113.3 Ų113.342%0.4261%0.609SS.*PPolyproline II helixtrans-83.3125.1178.758.20000109.3E207E207-S209 PolarHBondContact O-N 2.81Å
210Q61.3Low72.7Confident187 Ų187111.4 Ų111.487%0.87460%0.598SS**PPolyproline II helixtrans-75.1139.6171.9-70.4177.6-8.200108.6G212Q210-G212 PolarHBondContact O-N 3.05Å
211A64.2Low73.1Confident74 Ų74112.8 Ų112.861%0.61260%0.595SS**PPolyproline II helixtrans-54.8134.2173.500000110
212G67.6Low73.9Confident33 Ų33113.1 Ų113.134%0.3459%0.586SS.*PPolyproline II helixtrans-63.1147.6-178.600000111.9N195 Q210N195-G212 PolarHBondContact O-N 2.9Å; Q210-G212 PolarHBondContact O-N 3.05Å
213V75.4Confident74.6Confident122 Ų122109.8 Ų109.874%0.73958%0.579SS**PPolyproline II helixtrans-79.8135172.6-177.60000108.7T215V213-T215 WeakPolarHBondContact O-CG2 3.37Å; V213-T215 PolarHBondContact O-N 2.88Å
214E77.8Confident75.5Confident148 Ų148111.2 Ų111.269%0.69259%0.59SS**PPolyproline II helixtrans-61.7118.8173.3-169.7174.5-172.600109.7
215T84.8Confident76.6Confident67 Ų67114 Ų11441%0.41160%0.604SS.*  trans-105.8174.7178.575.40000111.1F188 Q192 V213F188-T215 WeakPolarHBondContact CZ-OG1 3.4Å; Q192-T215 PolarHBondContact NE2-OG1 3.16Å; Q192-T215 PolarHBondContact OE1-OG1 3.17Å; V213-T215 WeakPolarHBondContact O-CG2 3.37Å; V213-T215 PolarHBondContact O-N 2.88Å
216W83.8Confident77.6Confident240 Ų240115.6 Ų115.691%0.90959%0.593SS**PPolyproline II helixtrans-66.4139.7-179.5-63.9-6.9000111.7F188 Y218F188-W216 WeakPolarHBondContact CE1-O 3.45Å; F188-W216 WeakPolarHBondContact CZ-O 3.22Å; W216-Y218 PolarHBondContact O-N 3.39Å
217K86.3Confident78.5Confident184 Ų184119.4 Ų119.480%0.860%0.6SS**PPolyproline II helixtrans-64.1117.4173.9-62.6-175.4-179.3-1750110
218Y86.8Confident79.6Confident93 Ų93117.3 Ų117.337%0.36560%0.598SS.*PPolyproline II helixtrans-75.3131.6170.3176.4-95.1000109.3A184 E185 F188 W216A184-Y218 HydrophobicContact CB-CE1 4.35Å; E185-Y218 HydrophobicContact CB-CD1 3.96Å; E185-Y218 HydrophobicContact CB-CE1 3.93Å; E185-Y218 HydrophobicContact CG-CD1 4.22Å; F188-Y218 HydrophobicContact CB-CD1 4.39Å; F188-Y218 VanDerWaalsContact CD1-CB 3.43Å; F188-Y218 HydrophobicContact CG-CG 4.41Å; W216-Y218 PolarHBondContact O-N 3.39Å
219K88.5Confident80.6Confident129 Ų129119.6 Ų119.656%0.56160%0.595SS**  trans-127.8132.2169.4-69.8-165.3170.6-1650109.6E185 K221E185-K219 VanDerWaalsContact OE1-CA 3.27Å; E185-K219 WeakPolarHBondContact OE1-CA 3.36Å; K219-K221 VanDerWaalsContact C-N 3.26Å; K219-K221 PolarHBondContact O-N 3.34Å
220A87Confident81.2Confident13 Ų13119.8 Ų119.811%0.10761%0.606CS.*SBendtrans-62.3-36179.800000112.1L181 Y182 E185L181-A220 HydrophobicContact CB-CB 4.1Å; Y182-A220 HydrophobicContact CD1-CB 4.48Å; E185-A220 VanDerWaalsContact OE2-CB 3.27Å; E185-A220 WeakPolarHBondContact OE2-CB 3.45Å; E185-A220 PolarHBondContact OE2-N 2.78Å; E185-A220 VanDerWaalsContact OE2-N 3.12Å
221K85.3Confident81.6Confident101 Ų101116.9 Ų116.944%0.43960%0.6SS.*SBendtrans-111.197.2172.8-70.1-179.5179173.60110.5Y182 K219 Y226Y182-K221 WeakPolarHBondContact OH-CE 3.44Å; Y182-K221 PolarHBondContact OH-NZ 2.85Å; K219-K221 VanDerWaalsContact C-N 3.26Å; K219-K221 PolarHBondContact O-N 3.34Å; K221-Y226 HydrophobicContact CB-CD2 4.13Å; K221-Y226 HydrophobicContact CB-CE2 4.47Å; K221-Y226 HydrophobicContact CG-CD2 4.36Å; K221-Y226 HydrophobicContact CG-CE2 4.33Å
222N86.5Confident81.7Confident83 Ų83117.1 Ų117.144%0.44460%0.596SS.*  trans-90.9143.5178.4-174-13.3000112L224 M225 Y226N222-L224 PolarHBondContact O-N 2.88Å; N222-L224 PolarHBondContact OD1-N 3.1Å; N222-M225 PolarHBondContact O-N 2.88Å; N222-Y226 WeakPolarHBondContact O-CB 3.41Å; N222-Y226 WeakPolarHBondContact O-CD2 3.25Å; N222-Y226 PolarHBondContact O-N 3.2Å
223S88.1Confident81.3Confident77 Ų77123 Ų12354%0.53862%0.62SS.*THydrogen-bonded Turntrans-58.8-19.5171.4-1770000115.2Y226S223-Y226 CarbonylContact C-O 3.57Å; S223-Y226 WeakPolarHBondContact CA-O 3.45Å
224L85.6Confident80.4Confident147 Ų147121 Ų12177%0.7760%0.602SS**THydrogen-bonded Turntrans-71.9-40.6174.7179.264.6000111.9N222N222-L224 PolarHBondContact O-N 2.88Å; N222-L224 PolarHBondContact OD1-N 3.1Å
225M87.8Confident79.5Confident149 Ų149118.4 Ų118.473%0.73459%0.59SS**THydrogen-bonded Turntrans-98.5-29.1-174.4-66.9-58.5-63.700112.7N222N222-M225 PolarHBondContact O-N 2.88Å
226Y88.2Confident78.1Confident122 Ų122120.6 Ų120.648%0.47860%0.596SS.*SBendtrans-114.2153.7179.9-61-84.1000109.7K221 N222 S223K221-Y226 HydrophobicContact CB-CD2 4.13Å; K221-Y226 HydrophobicContact CB-CE2 4.47Å; K221-Y226 HydrophobicContact CG-CD2 4.36Å; K221-Y226 HydrophobicContact CG-CE2 4.33Å; N222-Y226 WeakPolarHBondContact O-CB 3.41Å; N222-Y226 WeakPolarHBondContact O-CD2 3.25Å; N222-Y226 PolarHBondContact O-N 3.2Å; S223-Y226 CarbonylContact C-O 3.57Å; S223-Y226 WeakPolarHBondContact CA-O 3.45Å
227Y87.6Confident76.9Confident219 Ų219114.6 Ų114.686%0.85958%0.581SS**PPolyproline II helixtrans-54.7133.3170.7-63.2-74.6000109.1E229Y227-E229 PolarHBondContact O-N 2.99Å
228P84.9Confident75.5Confident90 Ų90114.3 Ų114.358%0.58458%0.58SS**PPolyproline II helixtrans-54.9130.4176.423.3-32000107.8G230P228-G230 PolarHBondContact O-N 2.92Å; P228-G230 VanDerWaalsContact O-N 3.16Å
229E77.8Confident74.4Confident174 Ų174116.1 Ų116.181%0.81359%0.589SS**PPolyproline II helixtrans-55.5127.5170.2-68.2-162.516000106.8Y227Y227-E229 PolarHBondContact O-N 2.99Å
230G70.1Confident73.7Confident63 Ų63116.8 Ų116.865%0.64959%0.592SS**PPolyproline II helixtrans-51.3149.2-179.200000109.5P228 P232P228-G230 PolarHBondContact O-N 2.92Å; P228-G230 VanDerWaalsContact O-N 3.16Å; G230-P232 VanDerWaalsContact O-CD 3.3Å; G230-P232 WeakPolarHBondContact O-CD 3.31Å
231V70.1Confident73Confident126 Ų126121.7 Ų121.776%0.76462%0.623SS**PPolyproline II helixtrans-53.6118.9173.2-178.40000105.8D233V231-D233 PolarHBondContact O-N 3.33Å
232P65.2Low72.6Confident80 Ų80128.6 Ų128.652%0.51965%0.647SS.*PPolyproline II helixtrans-53144.2174.819.3-28.3000107.3G230 E234G230-P232 VanDerWaalsContact O-CD 3.3Å; G230-P232 WeakPolarHBondContact O-CD 3.31Å; P232-E234 HydrophobicContact CG-CG 4.16Å; P232-E234 WeakPolarHBondContact O-CG 3.38Å; P232-E234 PolarHBondContact O-N 2.9Å
233D59.1Low72.2Confident157 Ų157133 Ų13384%0.8466%0.664SS**  trans-64.881175.4-75.2-34.6000108.1V231 E235V231-D233 PolarHBondContact O-N 3.33Å; D233-E235 PolarHBondContact O-N 3.43Å
234E58.3Low71.9Confident78 Ų78133.6 Ų133.636%0.36467%0.665SS.*  trans-73.867172.1-70-81.1174.100105.4P232 Q236 L237P232-E234 HydrophobicContact CG-CG 4.16Å; P232-E234 WeakPolarHBondContact O-CG 3.38Å; P232-E234 PolarHBondContact O-N 2.9Å; E234-Q236 PolarHBondContact O-N 2.86Å; E234-L237 HydrophobicContact CB-CB 4.14Å; E234-L237 HydrophobicContact CB-CD1 3.52Å; E234-L237 HydrophobicContact CB-CG 3.76Å; E234-L237 HydrophobicContact CG-CD1 3.95Å; E234-L237 HydrophobicContact CG-CG 4.47Å; E234-L237 WeakPolarHBondContact O-CB 3.28Å; E234-L237 PolarHBondContact O-N 2.87Å
235E57Low71.8Confident94 Ų94130.4 Ų130.444%0.43965%0.651SS.*Hα-helixtrans-51.5-24171-65.6-175.517600110.7D233 K239D233-E235 PolarHBondContact O-N 3.43Å; E235-K239 WeakPolarHBondContact O-CD 3.46Å; E235-K239 WeakPolarHBondContact O-CG 3.38Å; E235-K239 PolarHBondContact O-N 3.41Å; E235-K239 IonicContact OE2-NZ 3.64Å; E235-K239 PolarHBondContact OE2-NZ 2.89Å
236Q57.1Low71.6Confident113 Ų113125.5 Ų125.553%0.52863%0.627SS.*Hα-helixtrans-69-27.8175.1-57.6-174.815.300113.9E234E234-Q236 PolarHBondContact O-N 2.86Å
237L56.8Low71.4Confident114 Ų114128.8 Ų128.860%0.59764%0.643SS**Hα-helixtrans-71.9-34177.2-76.5172.2000111.8E234E234-L237 HydrophobicContact CB-CB 4.14Å; E234-L237 HydrophobicContact CB-CD1 3.52Å; E234-L237 HydrophobicContact CB-CG 3.76Å; E234-L237 HydrophobicContact CG-CD1 3.95Å; E234-L237 HydrophobicContact CG-CG 4.47Å; E234-L237 WeakPolarHBondContact O-CB 3.28Å; E234-L237 PolarHBondContact O-N 2.87Å
238F57.5Low71.4Confident178 Ų178125 Ų12578%0.78164%0.638SS**Hα-helixtrans-86.3-21.1178.7-64.4-73.8000113.8K240F238-K240 VanDerWaalsContact C-N 3.31Å
239K64.4Low71.4Confident131 Ų131123.6 Ų123.657%0.5763%0.628SS**Hα-helixtrans-72.4-21.3174.4-73.5166.8-168.6170.10113E235E235-K239 WeakPolarHBondContact O-CD 3.46Å; E235-K239 WeakPolarHBondContact O-CG 3.38Å; E235-K239 PolarHBondContact O-N 3.41Å; E235-K239 IonicContact OE2-NZ 3.64Å; E235-K239 PolarHBondContact OE2-NZ 2.89Å
240K72.7Confident71.7Confident143 Ų143126.9 Ų126.962%0.62263%0.632SS**SBendtrans-82.1132.5176.2-69.6175.3-174.6170.20110F238 R242F238-K240 VanDerWaalsContact C-N 3.31Å; K240-R242 PolarHBondContact O-N 2.88Å
241P73.3Confident72.2Confident117 Ų117129.8 Ų129.876%0.7663%0.628SS**PPolyproline II helixtrans-58.1133.5174.724.9-32.9000109.2Q243P241-Q243 PolarHBondContact O-N 2.85Å; P241-Q243 VanDerWaalsContact O-N 3.08Å
242R77.1Confident72.8Confident246 Ų246131.3 Ų131.393%0.92863%0.631SS**PPolyproline II helixtrans-55.4118.3179.2-66.2-179.4178.1-179-0108.9K240K240-R242 PolarHBondContact O-N 2.88Å
243Q77.9Confident73.6Confident174 Ų174137.7 Ų137.781%0.81364%0.644SS**  trans-116.7135.2-179.3-169.6177.329.600110.5P241 V245P241-Q243 PolarHBondContact O-N 2.85Å; P241-Q243 VanDerWaalsContact O-N 3.08Å; Q243-V245 PolarHBondContact O-N 3.35Å
244V81.9Confident74.6Confident90 Ų90133.2 Ų133.255%0.54562%0.62SS.*  trans-75.1114.7173.4-179.60000109.2H246 T249V244-H246 PolarHBondContact O-N 3.45Å; V244-H246 VanDerWaalsContact O-N 3.14Å; V244-H246 PolarHBondContact O-ND1 3.38Å; V244-T249 HydrophobicContact CG1-CG2 4.32Å
245V84Confident75.6Confident80 Ų80133.3 Ų133.349%0.48563%0.628SS.*  trans-79.893.3171.7-177.80000108.8Q243 K247 N248Q243-V245 PolarHBondContact O-N 3.35Å; V245-K247 HydrophobicContact CG1-CB 4.21Å; V245-K247 PolarHBondContact O-N 2.97Å; V245-K247 VanDerWaalsContact O-N 3.14Å; V245-N248 PolarHBondContact O-N 3.27Å
246H82.4Confident76.7Confident47 Ų47136.4 Ų136.422%0.21864%0.64CS.*G310 helixtrans-60.6-22.4-176.7-72.681.6000114.1V244 N248 T249 F251 R253 D254V244-H246 PolarHBondContact O-N 3.45Å; V244-H246 VanDerWaalsContact O-N 3.14Å; V244-H246 PolarHBondContact O-ND1 3.38Å; H246-N248 PolarHBondContact O-N 2.91Å; H246-T249 PolarHBondContact O-N 3.44Å; H246-T249 VanDerWaalsContact O-N 3.1Å; H246-T249 PolarHBondContact O-OG1 2.9Å; H246-F251 WeakPolarHBondContact CB-O 3.3Å; H246-F251 VanDerWaalsContact O-O 3.06Å; H246-R253 VanDerWaalsContact CD2-C 3.49Å; H246-D254 WeakPolarHBondContact NE2-CA 3.36Å; H246-D254 PolarHBondContact NE2-N 2.62Å
247K84.3Confident77.8Confident191 Ų191134 Ų13483%0.8364%0.636SS**G310 helixtrans-61.9-25.6173.3-61.7-177.4-179.8-179.60113.2V245V245-K247 HydrophobicContact CG1-CB 4.21Å; V245-K247 PolarHBondContact O-N 2.97Å; V245-K247 VanDerWaalsContact O-N 3.14Å
248N86.6Confident78.9Confident140 Ų140133.6 Ų133.675%0.74963%0.631SS**G310 helixtrans-96.14.2179.8-62.5-6.4000112.2V245 H246V245-N248 PolarHBondContact O-N 3.27Å; H246-N248 PolarHBondContact O-N 2.91Å
249T85Confident80.1Confident60 Ų60128.6 Ų128.637%0.36862%0.622SS.*SBendtrans-118.3167.3176.974.60000109.7V244 H246 F251V244-T249 HydrophobicContact CG1-CG2 4.32Å; H246-T249 PolarHBondContact O-N 3.44Å; H246-T249 VanDerWaalsContact O-N 3.1Å; H246-T249 PolarHBondContact O-OG1 2.9Å; T249-F251 PolarHBondContact O-N 2.91Å; T249-F251 PolarHBondContact OG1-N 3.27Å; T249-F251 PolarHBondContact OG1-O 3.43Å
250R84.8Confident81Confident242 Ų242127.6 Ų127.691%0.91362%0.623SS**SBendtrans-66-16.7175.6-175.6175.1167.1-174.9-3.4112.7
251F81Confident81.6Confident125 Ų125123.8 Ų123.855%0.54861%0.614SS.*  trans-98.5113.2-177.9-62.4-73.5000110.1H246 T249 R253 P255H246-F251 WeakPolarHBondContact CB-O 3.3Å; H246-F251 VanDerWaalsContact O-O 3.06Å; T249-F251 PolarHBondContact O-N 2.91Å; T249-F251 PolarHBondContact OG1-N 3.27Å; T249-F251 PolarHBondContact OG1-O 3.43Å; F251-R253 PolarHBondContact O-N 2.79Å; F251-P255 HydrophobicContact CD1-CG 4.5Å
252L82.4Confident82.2Confident158 Ų158126.3 Ų126.383%0.82761%0.608SS**SBendtrans-67.6-19.8-178.8-65.3172.6000113.7
253R81.1Confident82.6Confident214 Ų214118.2 Ų118.281%0.80859%0.588SS**SBendtrans-146.2161.4177.6-64-171.3178.5176.2-0.5109.1H246 F251 P255H246-R253 VanDerWaalsContact CD2-C 3.49Å; F251-R253 PolarHBondContact O-N 2.79Å; R253-P255 VanDerWaalsContact O-CD 3.3Å; R253-P255 WeakPolarHBondContact O-CD 3.38Å
254D80.8Confident83.2Confident63 Ų63116.1 Ų116.134%0.33758%0.579SS.*  trans-62115.9173.9-167.4-12.1000109H246 F256 Q258H246-D254 WeakPolarHBondContact NE2-CA 3.36Å; H246-D254 PolarHBondContact NE2-N 2.62Å; D254-F256 PolarHBondContact O-N 2.88Å; D254-F256 PolarHBondContact OD1-N 2.95Å; D254-F256 VanDerWaalsContact OD1-N 3.08Å; D254-Q258 PolarHBondContact OD2-NE2 3.18Å
255P80.4Confident83.4Confident80 Ų80118.4 Ų118.452%0.51959%0.587SS.*SBendtrans-71.3-15.7179.429.3-33.6000112F251 R253F251-P255 HydrophobicContact CD1-CG 4.5Å; R253-P255 VanDerWaalsContact O-CD 3.3Å; R253-P255 WeakPolarHBondContact O-CD 3.38Å
256F78.8Confident83.6Confident159 Ų159121.6 Ų121.670%0.69760%0.597SS**SBendtrans-99122.8177.9-57.4-74.5000109.8D254 Q258D254-F256 PolarHBondContact O-N 2.88Å; D254-F256 PolarHBondContact OD1-N 2.95Å; D254-F256 VanDerWaalsContact OD1-N 3.08Å; F256-Q258 PolarHBondContact O-N 2.86Å; F256-Q258 VanDerWaalsContact O-N 3.09Å
257S80.8Confident84Confident62 Ų62126 Ų12643%0.43462%0.617SS.*  trans-70.6109.5175.160.80000109.9A259 L260 S261S257-A259 PolarHBondContact O-N 3.07Å; S257-A259 VanDerWaalsContact O-N 3.1Å; S257-L260 PolarHBondContact O-N 3.15Å; S257-L260 VanDerWaalsContact OG-CB 3.27Å; S257-L260 WeakPolarHBondContact OG-CB 2.98Å; S257-L260 WeakPolarHBondContact OG-CD1 3.3Å; S257-L260 WeakPolarHBondContact OG-CG 3.35Å; S257-S261 PolarHBondContact O-N 2.68Å
258Q79.8Confident84Confident105 Ų105119.2 Ų119.249%0.49160%0.597SS.*Hα-helixtrans-57-27.4178.3-65.9175.414.800112.9D254 F256 S261 R262D254-Q258 PolarHBondContact OD2-NE2 3.18Å; F256-Q258 PolarHBondContact O-N 2.86Å; F256-Q258 VanDerWaalsContact O-N 3.09Å; Q258-S261 PolarHBondContact O-OG 2.97Å; Q258-R262 WeakPolarHBondContact O-CB 3.37Å; Q258-R262 VanDerWaalsContact O-CG 3.23Å; Q258-R262 WeakPolarHBondContact O-CG 3.3Å; Q258-R262 PolarHBondContact O-N 3.29Å
259A82.4Confident84Confident73 Ų73115.2 Ų115.260%0.60358%0.584SS**Hα-helixtrans-65.3-45.2175.700000112.6S257 R262 C263S257-A259 PolarHBondContact O-N 3.07Å; S257-A259 VanDerWaalsContact O-N 3.1Å; A259-R262 PolarHBondContact O-N 3.36Å; A259-C263 WeakPolarHBondContact O-CB 3.34Å; A259-C263 PolarHBondContact O-N 2.87Å
260L84.3Confident84Confident111 Ų111114.8 Ų114.858%0.58159%0.586SS**Hα-helixtrans-69.1-39.4177.6-62.7-178.5000111.3S257 R262 C263 Q264S257-L260 PolarHBondContact O-N 3.15Å; S257-L260 VanDerWaalsContact OG-CB 3.27Å; S257-L260 WeakPolarHBondContact OG-CB 2.98Å; S257-L260 WeakPolarHBondContact OG-CD1 3.3Å; S257-L260 WeakPolarHBondContact OG-CG 3.35Å; L260-R262 PolarHBondContact O-N 2.95Å; L260-C263 PolarHBondContact O-N 2.94Å; L260-Q264 WeakPolarHBondContact O-CB 3.35Å; L260-Q264 WeakPolarHBondContact O-CG 3.34Å; L260-Q264 PolarHBondContact O-N 3.37Å
261S85Confident84Confident63 Ų63108.3 Ų108.344%0.44157%0.569SS.*Hα-helixtrans-64.1-41.6177.589.80000111.5S257 Q258 Q264 L265S257-S261 PolarHBondContact O-N 2.68Å; Q258-S261 PolarHBondContact O-OG 2.97Å; S261-Q264 PolarHBondContact O-N 3.4Å; S261-L265 WeakPolarHBondContact O-CB 3.38Å; S261-L265 PolarHBondContact O-N 3.42Å
262R85.1Confident83.9Confident170 Ų170106.9 Ų106.964%0.64257%0.567SS**Hα-helixtrans-62.3-44.1174.6-76.4176.3-178.6161.93.2112Q258 A259 L260 L265 Q266Q258-R262 WeakPolarHBondContact O-CB 3.37Å; Q258-R262 VanDerWaalsContact O-CG 3.23Å; Q258-R262 WeakPolarHBondContact O-CG 3.3Å; Q258-R262 PolarHBondContact O-N 3.29Å; A259-R262 PolarHBondContact O-N 3.36Å; L260-R262 PolarHBondContact O-N 2.95Å; R262-L265 PolarHBondContact O-N 3.29Å; R262-Q266 WeakPolarHBondContact O-CB 3.21Å; R262-Q266 PolarHBondContact O-N 3.18Å
263C86.4Confident83.6Confident75 Ų75101.1 Ų101.151%0.50754%0.542SS..Hα-helixtrans-62.4-45177.8-174.30000111.7A259 L260 Q266 Q267A259-C263 WeakPolarHBondContact O-CB 3.34Å; A259-C263 PolarHBondContact O-N 2.87Å; L260-C263 PolarHBondContact O-N 2.94Å; C263-Q266 PolarHBondContact O-N 3.3Å; C263-Q267 WeakPolarHBondContact O-CB 3.45Å; C263-Q267 PolarHBondContact O-N 2.66Å
264Q89.3Confident83.3Confident130 Ų13096.9 Ų96.961%0.60753%0.532SS*.Hα-helixtrans-63.2-41.9175.8-74.3176.4-1.200112.2L260 S261 Q266 Q267 A268L260-Q264 WeakPolarHBondContact O-CB 3.35Å; L260-Q264 WeakPolarHBondContact O-CG 3.34Å; L260-Q264 PolarHBondContact O-N 3.37Å; S261-Q264 PolarHBondContact O-N 3.4Å; Q264-Q266 VanDerWaalsContact C-N 3.33Å; Q264-Q266 PolarHBondContact O-N 3.22Å; Q264-Q267 PolarHBondContact O-N 3.32Å; Q264-A268 WeakPolarHBondContact O-CB 3.39Å; Q264-A268 PolarHBondContact O-N 2.84Å
265L86.2Confident82.8Confident138 Ų13899.7 Ų99.772%0.72354%0.543SS*.Hα-helixtrans-62.9-42.2176.9-143.793.1000111.2S261 R262 A268 A269S261-L265 WeakPolarHBondContact O-CB 3.38Å; S261-L265 PolarHBondContact O-N 3.42Å; R262-L265 PolarHBondContact O-N 3.29Å; L265-A268 PolarHBondContact O-N 2.98Å; L265-A269 VanDerWaalsContact O-CB 3.28Å; L265-A269 WeakPolarHBondContact O-CB 3.32Å; L265-A269 PolarHBondContact O-N 2.94Å
266Q89.4Confident82Confident147 Ų147101.4 Ų101.469%0.68754%0.542SS*.Hα-helixtrans-66.8-40.3177.7-171.8173.29.300111.8R262 C263 Q264 A269 A270R262-Q266 WeakPolarHBondContact O-CB 3.21Å; R262-Q266 PolarHBondContact O-N 3.18Å; C263-Q266 PolarHBondContact O-N 3.3Å; Q264-Q266 VanDerWaalsContact C-N 3.33Å; Q264-Q266 PolarHBondContact O-N 3.22Å; Q266-A269 PolarHBondContact O-N 3.42Å; Q266-A270 WeakPolarHBondContact O-CB 3.33Å; Q266-A270 PolarHBondContact O-N 3.42Å
267Q89.9Confident81.2Confident139 Ų13998 Ų9865%0.6553%0.528SS*.Hα-helixtrans-65.1-44.2175.3-172.2176.332.100111.4C263 Q264 A270 L271C263-Q267 WeakPolarHBondContact O-CB 3.45Å; C263-Q267 PolarHBondContact O-N 2.66Å; Q264-Q267 PolarHBondContact O-N 3.32Å; Q267-A270 PolarHBondContact O-N 2.95Å; Q267-L271 WeakPolarHBondContact O-CB 3.46Å; Q267-L271 PolarHBondContact O-N 3.2Å
268A85.3Confident80.2Confident49 Ų4997.5 Ų97.541%0.40553%0.533SS..Hα-helixtrans-63.9-40.3175.500000111.7Q264 L265 L271 N272Q264-A268 WeakPolarHBondContact O-CB 3.39Å; Q264-A268 PolarHBondContact O-N 2.84Å; L265-A268 PolarHBondContact O-N 2.98Å; A268-L271 PolarHBondContact O-N 3.44Å; A268-N272 VanDerWaalsContact O-CB 3.31Å; A268-N272 WeakPolarHBondContact O-CB 3.49Å; A268-N272 VanDerWaalsContact O-CG 3.26Å; A268-N272 PolarHBondContact O-N 3.3Å; A268-N272 PolarHBondContact O-ND2 2.86Å
269A85.8Confident79.3Confident57 Ų5797.6 Ų97.647%0.47153%0.531SS..Hα-helixtrans-63.5-42.4174.500000111.9L265 Q266 N272 A273L265-A269 VanDerWaalsContact O-CB 3.28Å; L265-A269 WeakPolarHBondContact O-CB 3.32Å; L265-A269 PolarHBondContact O-N 2.94Å; Q266-A269 PolarHBondContact O-N 3.42Å; A269-N272 PolarHBondContact O-N 3.17Å; A269-A273 VanDerWaalsContact O-CB 3.3Å; A269-A273 WeakPolarHBondContact O-CB 3.41Å; A269-A273 PolarHBondContact O-N 3.16Å
270A85.4Confident78.1Confident50 Ų5098.1 Ų98.141%0.41353%0.527SS..Hα-helixtrans-63.5-42.4175.500000112Q266 Q267 A273 Q274Q266-A270 WeakPolarHBondContact O-CB 3.33Å; Q266-A270 PolarHBondContact O-N 3.42Å; Q267-A270 PolarHBondContact O-N 2.95Å; A270-A273 PolarHBondContact O-N 2.85Å; A270-Q274 WeakPolarHBondContact O-CG 3.27Å; A270-Q274 PolarHBondContact O-N 3.41Å
271L83.9Confident77.3Confident107 Ų10793.7 Ų93.756%0.5651%0.508SS*.Hα-helixtrans-66.2-43.1176.6-146.4-172.9000111.2Q267 A268 A273 Q274 H275Q267-L271 WeakPolarHBondContact O-CB 3.46Å; Q267-L271 PolarHBondContact O-N 3.2Å; A268-L271 PolarHBondContact O-N 3.44Å; L271-A273 VanDerWaalsContact C-N 3.33Å; L271-A273 PolarHBondContact O-N 2.95Å; L271-Q274 WeakPolarHBondContact O-CB 3.4Å; L271-Q274 PolarHBondContact O-N 2.96Å; L271-H275 WeakPolarHBondContact O-CB 3.45Å; L271-H275 PolarHBondContact O-N 2.85Å
272N80.4Confident75.7Confident94 Ų9497.4 Ų97.450%0.50353%0.53SS..Hα-helixtrans-63.4-39174.7-77.1-31.2000112A268 A269 H275 K276A268-N272 VanDerWaalsContact O-CB 3.31Å; A268-N272 WeakPolarHBondContact O-CB 3.49Å; A268-N272 VanDerWaalsContact O-CG 3.26Å; A268-N272 PolarHBondContact O-N 3.3Å; A268-N272 PolarHBondContact O-ND2 2.86Å; A269-N272 PolarHBondContact O-N 3.17Å; N272-H275 PolarHBondContact O-N 3.43Å; N272-K276 WeakPolarHBondContact O-CB 3.32Å; N272-K276 VanDerWaalsContact O-CG 3.27Å; N272-K276 WeakPolarHBondContact O-CG 3.34Å; N272-K276 PolarHBondContact O-N 3.42Å
273A75.1Confident74.3Confident38 Ų3896.1 Ų96.131%0.31454%0.537SS..Hα-helixtrans-62.5-45.8173.400000110.4A269 A270 L271 H275 K276 Q277 I288A269-A273 VanDerWaalsContact O-CB 3.3Å; A269-A273 WeakPolarHBondContact O-CB 3.41Å; A269-A273 PolarHBondContact O-N 3.16Å; A270-A273 PolarHBondContact O-N 2.85Å; L271-A273 VanDerWaalsContact C-N 3.33Å; L271-A273 PolarHBondContact O-N 2.95Å; A273-H275 PolarHBondContact O-N 3.25Å; A273-K276 CarbonylContact O-C 3.58Å; A273-K276 PolarHBondContact O-N 2.92Å; A273-Q277 WeakPolarHBondContact O-CG 3.31Å; A273-Q277 PolarHBondContact O-N 2.88Å; A273-Q277 VanDerWaalsContact O-N 3.12Å; A273-I288 HydrophobicContact CB-CD1 4.43Å; A273-I288 WeakPolarHBondContact O-CD1 3.41Å
274Q75.1Confident72.9Confident124 Ų12495.4 Ų95.458%0.57954%0.541SS*.Hα-helixtrans-59-42.9173.3-73.8179.21.600112.6A270 L271 K276 Q277A270-Q274 WeakPolarHBondContact O-CG 3.27Å; A270-Q274 PolarHBondContact O-N 3.41Å; L271-Q274 WeakPolarHBondContact O-CB 3.4Å; L271-Q274 PolarHBondContact O-N 2.96Å; Q274-K276 PolarHBondContact O-N 3.37Å; Q274-Q277 VanDerWaalsContact O-CB 3.23Å; Q274-Q277 WeakPolarHBondContact O-CB 3.19Å; Q274-Q277 PolarHBondContact O-N 3.28Å
275H69Low71.5Confident123 Ų12397 Ų9757%0.56955%0.546SS*.Hα-helixtrans-71.8-17.8178.9-168.5-123.3000113.6L271 N272 A273 K279L271-H275 WeakPolarHBondContact O-CB 3.45Å; L271-H275 PolarHBondContact O-N 2.85Å; N272-H275 PolarHBondContact O-N 3.43Å; A273-H275 PolarHBondContact O-N 3.25Å; H275-K279 VanDerWaalsContact O-CE 3.22Å; H275-K279 WeakPolarHBondContact O-CE 3.13Å
276K64.7Low70.2Confident116 Ų11695.2 Ų95.250%0.50453%0.534SS..Hα-helixtrans-90.3-7.7170.4-70.6176.2-179.2-173.10112.4N272 A273 Q274 G278 K279 I288N272-K276 WeakPolarHBondContact O-CB 3.32Å; N272-K276 VanDerWaalsContact O-CG 3.27Å; N272-K276 WeakPolarHBondContact O-CG 3.34Å; N272-K276 PolarHBondContact O-N 3.42Å; A273-K276 CarbonylContact O-C 3.58Å; A273-K276 PolarHBondContact O-N 2.92Å; Q274-K276 PolarHBondContact O-N 3.37Å; K276-G278 PolarHBondContact O-N 3.08Å; K276-K279 PolarHBondContact O-N 3.08Å; K276-I288 HydrophobicContact CB-CD1 3.97Å
277Q61.3Low68.7Low88 Ų8893.5 Ų93.541%0.41153%0.529SS..THydrogen-bonded Turntrans-65.5133.7172.4-64-179.314.200109.7A273 Q274 K279A273-Q277 WeakPolarHBondContact O-CG 3.31Å; A273-Q277 PolarHBondContact O-N 2.88Å; A273-Q277 VanDerWaalsContact O-N 3.12Å; Q274-Q277 VanDerWaalsContact O-CB 3.23Å; Q274-Q277 WeakPolarHBondContact O-CB 3.19Å; Q274-Q277 PolarHBondContact O-N 3.28Å; Q277-K279 PolarHBondContact O-N 2.87Å
278G60.4Low67.3Low51 Ų5189.8 Ų89.853%0.52651%0.513SS..THydrogen-bonded Turntrans76-2.3-177.300000115.3K276 V280K276-G278 PolarHBondContact O-N 3.08Å; G278-V280 PolarHBondContact O-N 3.19Å
279K61.8Low65.9Low106 Ų10692.2 Ų92.246%0.46153%0.525SS..PPolyproline II helixtrans-78.4118.7170.4-69.6-170.71801780109.5H275 K276 Q277 L287H275-K279 VanDerWaalsContact O-CE 3.22Å; H275-K279 WeakPolarHBondContact O-CE 3.13Å; K276-K279 PolarHBondContact O-N 3.08Å; Q277-K279 PolarHBondContact O-N 2.87Å; K279-L287 WeakPolarHBondContact O-CD1 3.42Å; K279-L287 PolarHBondContact O-N 3.45Å; K279-L287 VanDerWaalsContact O-N 3.14Å
280V56.4Low64.6Low85 Ų8596 Ų9652%0.51553%0.533SS..BIsolated β-bridgetrans-88.2126.2177.3-175.70000108G278 G284 E286G278-V280 PolarHBondContact O-N 3.19Å; V280-G284 VanDerWaalsContact CG1-CA 3.44Å; V280-G284 WeakPolarHBondContact CG1-O 3.29Å; V280-E286 HydrophobicContact CG2-CG 4.15Å
281G66.5Low63.3Low17 Ų17100.2 Ų100.218%0.17554%0.544CS..PPolyproline II helixtrans-70.6172.5177.100000112D283 G284 K285G281-D283 PolarHBondContact O-N 3.12Å; G281-G284 PolarHBondContact O-N 3.25Å; G281-K285 PolarHBondContact N-O 3.47Å
282P52.9Low62.2Low141 Ų14197 Ų9792%0.91653%0.531SS*.THydrogen-bonded Turntrans-57.8-20.1176.724.1-33.5000113.5G284P282-G284 VanDerWaalsContact C-N 3.28Å; P282-G284 PolarHBondContact O-N 3.35Å
283D54.9Low61.5Low144 Ų14497.4 Ų97.477%0.7754%0.538SS*.THydrogen-bonded Turntrans-81.23.6174.5-64.9-23000114.4G281 K285G281-D283 PolarHBondContact O-N 3.12Å; D283-K285 PolarHBondContact O-N 3.34Å
284G57.8Low61Low59 Ų59102.9 Ų102.961%0.60855%0.551SS**SBendtrans73.610179.800000114.9V280 G281 P282V280-G284 VanDerWaalsContact CG1-CA 3.44Å; V280-G284 WeakPolarHBondContact CG1-O 3.29Å; G281-G284 PolarHBondContact O-N 3.25Å; P282-G284 VanDerWaalsContact C-N 3.28Å; P282-G284 PolarHBondContact O-N 3.35Å
285K58.3Low60.1Low163 Ų163101.9 Ų101.971%0.70955%0.553SS**SBendtrans-110.8143.4177.5-63.9177.7-175.6171.40111.4G281 D283G281-K285 PolarHBondContact N-O 3.47Å; D283-K285 PolarHBondContact O-N 3.34Å
286E60.6Low59.8Low101 Ų10199.4 Ų99.447%0.47256%0.561SS.*BIsolated β-bridgetrans-64.2132.2175.2-65.8179.7-179.300110.6V280 I288V280-E286 HydrophobicContact CG2-CG 4.15Å; E286-I288 PolarHBondContact O-N 2.79Å
287L58Low60.1Low111 Ų11196.5 Ų96.558%0.58156%0.564SS**SBendtrans-67.6-20.8-179.5-86.493.1000113.5K279K279-L287 WeakPolarHBondContact O-CD1 3.42Å; K279-L287 PolarHBondContact O-N 3.45Å; K279-L287 VanDerWaalsContact O-N 3.14Å
288I58.5Low60.3Low61 Ų61100.3 Ų100.331%0.31358%0.58SS.*SBendtrans-135.4102.3178.8-54.6172.4000107.8A273 K276 E286 Q290A273-I288 HydrophobicContact CB-CD1 4.43Å; A273-I288 WeakPolarHBondContact O-CD1 3.41Å; K276-I288 HydrophobicContact CB-CD1 3.97Å; E286-I288 PolarHBondContact O-N 2.79Å; I288-Q290 PolarHBondContact O-N 3.43Å
289P56.5Low60.9Low100 Ų10099.8 Ų99.865%0.64957%0.574SS**  trans-65.3123.4-178.4-19.631.1000111.6E291P289-E291 PolarHBondContact O-N 3.04Å
290Q58.5Low61.2Low136 Ų136100.9 Ų100.964%0.63658%0.579SS**  trans-76.292.4165.8-77.5-86.7-25.300109.1I288 S292I288-Q290 PolarHBondContact O-N 3.43Å; Q290-S292 PolarHBondContact O-N 3.46Å
291E58.6Low61.5Low139 Ų139103.5 Ų103.565%0.6559%0.594SS**  trans-79.2103.4166-69.4-157.2141.400109.5P289 R294P289-E291 PolarHBondContact O-N 3.04Å; E291-R294 IonicContact OE1-CZ 2.66Å; E291-R294 IonicContact OE1-NE 3.78Å; E291-R294 IonicContact OE1-NH2 2.72Å; E291-R294 PolarHBondContact OE1-NH2 2.79Å
292S61.3Low61.2Low40 Ų40107 Ų10728%0.2862%0.621SS.*PPolyproline II helixtrans-65.5149.2168.258.30000110.1Q290 R294 F300Q290-S292 PolarHBondContact O-N 3.46Å; S292-R294 PolarHBondContact O-N 2.89Å; S292-R294 VanDerWaalsContact O-N 3.07Å; S292-F300 PolarHBondContact OG-N 3.43Å; S292-F300 PolarHBondContact OG-O 3.08Å
293P64.4Low61.3Low102 Ų102106.3 Ų106.366%0.66262%0.615SS**PPolyproline II helixtrans-53.7119.7-178.9-23.131.1000110.6F300P293-F300 WeakPolarHBondContact O-CD2 3.48Å; P293-F300 WeakPolarHBondContact O-CE2 3.41Å
294R64.8Low61.4Low153 Ų153105.5 Ų105.558%0.57762%0.618SS**PPolyproline II helixtrans-82.2122.3-177.1-61.8177-177.3-125.16.9109.4E291 S292E291-R294 IonicContact OE1-CZ 2.66Å; E291-R294 IonicContact OE1-NE 3.78Å; E291-R294 IonicContact OE1-NH2 2.72Å; E291-R294 PolarHBondContact OE1-NH2 2.79Å; S292-R294 PolarHBondContact O-N 2.89Å; S292-R294 VanDerWaalsContact O-N 3.07Å
295V56Low61Low103 Ų103106.8 Ų106.862%0.62462%0.617SS**BIsolated β-bridgetrans-108.7116.8170.5-179.70000107.6G297 F298 F300V295-G297 VanDerWaalsContact C-N 3.33Å; V295-G297 PolarHBondContact O-N 3.25Å; V295-F298 PolarHBondContact N-O 2.78Å; V295-F298 PolarHBondContact O-N 3.03Å; V295-F300 HydrophobicContact CB-CZ 4.39Å; V295-F300 HydrophobicContact CG2-CE2 3.86Å; V295-F300 HydrophobicContact CG2-CZ 3.76Å
296G62.7Low60.8Low71 Ų71105.3 Ų105.373%0.73263%0.625SS**THydrogen-bonded Turntrans64.430.517900000115F298G296-F298 VanDerWaalsContact C-N 3.32Å; G296-F298 VanDerWaalsContact O-CD2 3.31Å; G296-F298 WeakPolarHBondContact O-CD2 3.47Å; G296-F298 PolarHBondContact O-N 3.36Å
297G71.9Confident60.4Low56 Ų56102.9 Ų102.958%0.57762%0.621SS**THydrogen-bonded Turntrans85.5-6.2176.700000115.6V295V295-G297 VanDerWaalsContact C-N 3.33Å; V295-G297 PolarHBondContact O-N 3.25Å
298F66Low59.9Low168 Ų168103.5 Ų103.574%0.73763%0.632SS**BIsolated β-bridgetrans-106.6133.4175-56.1-81.6000110.2V295 G296V295-F298 PolarHBondContact N-O 2.78Å; V295-F298 PolarHBondContact O-N 3.03Å; G296-F298 VanDerWaalsContact C-N 3.32Å; G296-F298 VanDerWaalsContact O-CD2 3.31Å; G296-F298 WeakPolarHBondContact O-CD2 3.47Å; G296-F298 PolarHBondContact O-N 3.36Å
299G72.9Confident59.6Low39 Ų39102.5 Ų102.540%0.40264%0.637SS.*PPolyproline II helixtrans-80.4146.3171.700000110.6V301G299-V301 PolarHBondContact O-N 3.28Å
300F67.4Low59.5Low130 Ų130103.4 Ų103.457%0.5764%0.64SS**PPolyproline II helixtrans-63.7127175.9-69.3-78.1000110S292 P293 V295 A302S292-F300 PolarHBondContact OG-N 3.43Å; S292-F300 PolarHBondContact OG-O 3.08Å; P293-F300 WeakPolarHBondContact O-CD2 3.48Å; P293-F300 WeakPolarHBondContact O-CE2 3.41Å; V295-F300 HydrophobicContact CB-CZ 4.39Å; V295-F300 HydrophobicContact CG2-CE2 3.86Å; V295-F300 HydrophobicContact CG2-CZ 3.76Å; F300-A302 PolarHBondContact O-N 3.05Å
301V64Low59.1Low139 Ų139104.5 Ų104.584%0.84265%0.651SS**PPolyproline II helixtrans-73116.4172.1179.60000107.6G299 T303G299-V301 PolarHBondContact O-N 3.28Å; V301-T303 PolarHBondContact O-N 3.33Å
302A60.1Low58.8Low90 Ų90105.2 Ų105.274%0.74465%0.654SS**PPolyproline II helixtrans-65.4125174.600000109.5F300F300-A302 PolarHBondContact O-N 3.05Å
303T54.3Low58.4Low128 Ų128108.5 Ų108.579%0.78568%0.677SS**PPolyproline II helixtrans-69.2129.9172.941.80000109.1V301 S305V301-T303 PolarHBondContact O-N 3.33Å; T303-S305 PolarHBondContact O-N 3.47Å
304P56.1Low57.9Low126 Ų126109 Ų10982%0.81868%0.681SS**PPolyproline II helixtrans-63126.5176.625.5-32.2000108.9
305S49.6Very low57.1Low86 Ų86110.1 Ų110.160%0.60170%0.695SS**PPolyproline II helixtrans-59.6133.7177.9179.70000110.1T303 A307T303-S305 PolarHBondContact O-N 3.47Å; S305-A307 PolarHBondContact O-N 2.92Å
306P55.4Low56.6Low133 Ų133112 Ų11286%0.86470%0.698SS**SBendtrans-69.4-0.6-176.926.8-34000114.7P308P306-P308 WeakPolarHBondContact O-CD 3.46Å
307A50.5Low55.9Low49 Ų49113.9 Ų113.941%0.40570%0.695SS.*SBendtrans-116.790.7174.100000110.1S305 G309 V310S305-A307 PolarHBondContact O-N 2.92Å; A307-G309 PolarHBondContact O-N 3.27Å; A307-V310 HydrophobicContact CB-CG2 3.96Å
308P47.7Very low54.9Low124 Ų124122.4 Ų122.481%0.80571%0.71SS**THydrogen-bonded Turntrans-64.9129.9170.126.5-29.7000109P306P306-P308 WeakPolarHBondContact O-CD 3.46Å
309G53.4Low54.1Low41 Ų41116.8 Ų116.842%0.42370%0.7SS.*THydrogen-bonded Turntrans109.9-0.6172.100000117.6A307A307-G309 PolarHBondContact O-N 3.27Å
310V54.9Low53Low118 Ų118123.6 Ų123.672%0.71572%0.722SS**SBendtrans-82.8-22.6178.2-1690000112.6A307A307-V310 HydrophobicContact CB-CG2 3.96Å
311N49.9Very low52.1Low160 Ų160123 Ų12386%0.85673%0.729SS**SBendtrans-105.40.8175.4-63.8-23.8000113.2S313N311-S313 PolarHBondContact O-N 2.78Å
312E50.8Low51.4Low153 Ų153124.8 Ų124.872%0.71573%0.727SS**  trans-91.3103.6174.8-70.8179.716800107.8
313S53.1Low50.9Low109 Ų109126.7 Ų126.776%0.76273%0.725SS**  trans-53.3137.6157.4-820000107.7N311 M315N311-S313 PolarHBondContact O-N 2.78Å; S313-M315 PolarHBondContact O-N 3.49Å
314P53.6Low50.9Low114 Ų114127 Ų12774%0.7473%0.727SS**  trans-46.9133.6178.9-26.332.6000109.9M316P314-M316 PolarHBondContact O-N 3.19Å
315M49.7Very low50.6Low176 Ų176126.3 Ų126.387%0.86772%0.723SS**  trans-55.285.5168.5169.7-174.7-90.200108.4S313 T317S313-M315 PolarHBondContact O-N 3.49Å; M315-T317 WeakPolarHBondContact CG-OG1 3.27Å; M315-T317 PolarHBondContact O-N 2.81Å
316M45.5Very low50.7Low142 Ų142130 Ų13070%0.774%0.735SS**  trans-9684.5167.9-170.470.873.100105P314 W318P314-M316 PolarHBondContact O-N 3.19Å; M316-W318 VanDerWaalsContact C-N 3.28Å; M316-W318 PolarHBondContact O-N 3.06Å
317T47.7Very low50.4Low110 Ų110135 Ų13568%0.67574%0.737SS**  trans-66.993.6169.8-36.10000106.6M315 G319M315-T317 WeakPolarHBondContact CG-OG1 3.27Å; M315-T317 PolarHBondContact O-N 2.81Å; T317-G319 PolarHBondContact O-N 3.25Å
318W50.6Low50.2Low235 Ų235139.1 Ų139.189%0.8976%0.756SS**  trans-65.790.6155.1-70.587.1000105.3M316M316-W318 VanDerWaalsContact C-N 3.28Å; M316-W318 PolarHBondContact O-N 3.06Å
319G48.3Very low50.4Low51 Ų51142.6 Ų142.653%0.52676%0.762SS.*  trans-58.3138.6166.900000108.9T317 V321T317-G319 PolarHBondContact O-N 3.25Å; G319-V321 PolarHBondContact O-N 3.17Å
320E49.8Very low50.3Low182 Ų182144 Ų14485%0.8578%0.776SS**  trans-66.2111.9169.6-162.5168.6-161.200107.8E322E320-E322 PolarHBondContact O-N 3.49Å
321V49.3Very low49.6Very low118 Ų118143.2 Ų143.272%0.71578%0.776SS**  trans-79.791.7176.3-174.20000107G319 N323G319-V321 PolarHBondContact O-N 3.17Å; V321-N323 VanDerWaalsContact CG1-O 3.32Å; V321-N323 WeakPolarHBondContact CG1-O 3.48Å; V321-N323 PolarHBondContact O-N 3.41Å
322E48.3Very low49.5Very low175 Ų175145.2 Ų145.282%0.81878%0.78SS**  trans-64.17.4-177.3-118.5-165.3166.600115.2E320E320-E322 PolarHBondContact O-N 3.49Å
323N50.9Low49.3Very low130 Ų130142.7 Ų142.770%0.69578%0.775SS**SBendtrans-152.9138.1173.9-88.1-53.8000111.9V321 P325V321-N323 VanDerWaalsContact CG1-O 3.32Å; V321-N323 WeakPolarHBondContact CG1-O 3.48Å; V321-N323 PolarHBondContact O-N 3.41Å; N323-P325 WeakPolarHBondContact O-CD 3.43Å; N323-P325 VanDerWaalsContact O-N 3.08Å
324T53.5Low49Very low134 Ų134143.2 Ų143.282%0.82278%0.776SS**  trans-50.5118.5162.9-31.90000107.6L326T324-L326 PolarHBondContact O-N 2.97Å
325P50.6Low48.6Very low113 Ų113147.6 Ų147.673%0.73478%0.78SS**  trans-62.4106.6-170.920.9-31.2000109.9N323 R327N323-P325 WeakPolarHBondContact O-CD 3.43Å; N323-P325 VanDerWaalsContact O-N 3.08Å; P325-R327 PolarHBondContact O-N 3.23Å
326L51Low48.4Very low164 Ų164144.4 Ų144.486%0.85977%0.77SS**  trans-69.7120.2171-156.687.9000106.8T324 V328T324-L326 PolarHBondContact O-N 2.97Å; L326-V328 PolarHBondContact O-N 3.4Å; L326-V328 VanDerWaalsContact O-N 3.09Å
327R49.5Very low48.5Very low238 Ų238143.8 Ų143.890%0.89877%0.769SS**  trans-60.2116.3172.9-76.4-176.9158.6-169.7-7.5108.5P325 E329P325-R327 PolarHBondContact O-N 3.23Å; R327-E329 PolarHBondContact O-N 2.93Å; R327-E329 VanDerWaalsContact O-N 3.13Å
328V46.9Very low48.9Very low135 Ų135149.4 Ų149.482%0.81878%0.778SS**  trans-64109163.1-179.90000106.3L326 G330L326-V328 PolarHBondContact O-N 3.4Å; L326-V328 VanDerWaalsContact O-N 3.09Å; V328-G330 PolarHBondContact O-N 3.47Å
329E51.1Low49.1Very low196 Ų196143.7 Ų143.792%0.91677%0.769SS**  trans-59.6124.5164.9-92.3-167.1154.100108.3R327R327-E329 PolarHBondContact O-N 2.93Å; R327-E329 VanDerWaalsContact O-N 3.13Å
330G51.9Low49.4Very low71 Ų71148.2 Ų148.273%0.73279%0.789SS**  trans114.385.3169.400000114.5V328V328-G330 PolarHBondContact O-N 3.47Å
331S38.9Very low50.4Low102 Ų102142 Ų14271%0.71377%0.774SS**  trans-152.5117.7132.552.40000110T333S331-T333 PolarHBondContact O-N 2.9Å
332E48.4Very low51.4Low201 Ų201143 Ų14394%0.93978%0.783SS**  trans-69.873.2174.2-171.7-179.7-173.700109.8
333T46.9Very low52.4Low100 Ų100138.9 Ų138.961%0.61378%0.779SS**  trans-138.2127.3167.857.30000109.3S331 Y335S331-T333 PolarHBondContact O-N 2.9Å; T333-Y335 PolarHBondContact O-N 2.83Å
334P47.2Very low53.7Low121 Ų121141.4 Ų141.479%0.78678%0.784SS**  trans-73.4101.2177.529.4-29.2000107.6V336P334-V336 PolarHBondContact O-N 3.22Å; P334-V336 VanDerWaalsContact O-N 3.09Å
335Y44.6Very low54.9Low205 Ų205143.4 Ų143.480%0.80478%0.782SS**  trans-66.3108.6170.4-157.5-96.7000107.9T333 D337T333-Y335 PolarHBondContact O-N 2.83Å; Y335-D337 PolarHBondContact O-N 3.03Å
336V46.3Very low56.4Low109 Ų109144.5 Ų144.566%0.66178%0.78SS**  trans-76.6106.6176.7179.10000107.9P334 R338P334-V336 PolarHBondContact O-N 3.22Å; P334-V336 VanDerWaalsContact O-N 3.09Å; V336-R338 HydrophobicContact CG1-CG 4.44Å; V336-R338 PolarHBondContact O-N 3.39Å
337D46.9Very low58Low129 Ų129143.5 Ų143.569%0.6978%0.775SS**  trans-57.3102.9169.9-77.7-32.6000110.2Y335 T339Y335-D337 PolarHBondContact O-N 3.03Å; D337-T339 PolarHBondContact O-N 3.29Å
338R54.9Low59.6Low228 Ų228139.5 Ų139.586%0.8677%0.766SS**  trans-94.553.3174.7-80-169173.8-171.90.4112.3V336V336-R338 HydrophobicContact CG1-CG 4.44Å; V336-R338 PolarHBondContact O-N 3.39Å
339T55.6Low61.5Low115 Ų115135.5 Ų135.571%0.70674%0.743SS**  trans-141.9109.9162.235.10000109.7D337 G341D337-T339 PolarHBondContact O-N 3.29Å; T339-G341 PolarHBondContact O-N 3.18Å
340P54Low63.4Low146 Ų146128 Ų12895%0.94872%0.719SS**  trans-74.291.9177.528.6-30.6000109.6
341G70.9Confident65.3Low51 Ų51135.6 Ų135.653%0.52673%0.725SS.*SBendtrans-166.8156.6173.400000111.8T339 A343T339-G341 PolarHBondContact O-N 3.18Å; G341-A343 PolarHBondContact O-N 3.19Å
342P72Confident67.8Low141 Ų141141.7 Ų141.792%0.91673%0.732SS**  trans-62.8108.2177.322.7-29.2000110.3
343A69.3Low69.7Low88 Ų88137.5 Ų137.573%0.72771%0.713SS**  trans-76.4124.3175.700000110G341 K345G341-A343 PolarHBondContact O-N 3.19Å; A343-K345 PolarHBondContact O-N 3.21Å
344F77.9Confident72Confident183 Ų183137.9 Ų137.980%0.80370%0.703SS**  trans-66.9115.6175.8177.3-102.5000109.9I346F344-I346 HydrophobicContact CD1-CG1 4.1Å; F344-I346 HydrophobicContact CE1-CD1 3.96Å; F344-I346 HydrophobicContact CE1-CG1 3.32Å; F344-I346 HydrophobicContact CZ-CG1 3.89Å
345K77.3Confident74.2Confident176 Ų176137.1 Ų137.177%0.76569%0.692SS**  trans-110117173.7-174.3173.4-177.7175.90109.1A343 L347A343-K345 PolarHBondContact O-N 3.21Å; K345-L347 PolarHBondContact O-N 3.16Å
346I83.3Confident76.6Confident135 Ų135129.1 Ų129.169%0.69267%0.672SS**PPolyproline II helixtrans-69.3120.1169.5-59.4173.3000107.2F344F344-I346 HydrophobicContact CD1-CG1 4.1Å; F344-I346 HydrophobicContact CE1-CD1 3.96Å; F344-I346 HydrophobicContact CE1-CG1 3.32Å; F344-I346 HydrophobicContact CZ-CG1 3.89Å
347L83.5Confident78.8Confident144 Ų144128.1 Ų128.175%0.75466%0.662SS**PPolyproline II helixtrans-72.1140.5175.3-61.4177.5000109.4K345K345-L347 PolarHBondContact O-N 3.16Å
348E83.4Confident81Confident153 Ų153129 Ų12972%0.71566%0.66SS**PPolyproline II helixtrans-63142.6172.5-68.9-174.4-177.500110.9G350 R354E348-G350 PolarHBondContact O-N 3.29Å; E348-R354 IonicContact OE2-CZ 2.79Å; E348-R354 IonicContact OE2-NH2 3.43Å; E348-R354 PolarHBondContact OE2-NH2 3.34Å
349P87.1Confident82.9Confident51 Ų51123.7 Ų123.733%0.33165%0.646SS.*PPolyproline II helixtrans-58.7141179.922.8-32.7000110.7E353 R354P349-E353 WeakPolarHBondContact CA-OE2 3.24Å; P349-E353 HydrophobicContact CB-CB 4.07Å; P349-E353 HydrophobicContact CB-CG 3.89Å; P349-E353 VanDerWaalsContact CB-OE2 3.25Å; P349-E353 WeakPolarHBondContact CB-OE2 3.48Å; P349-R354 HydrophobicContact CB-CG 4.37Å; P349-R354 HydrophobicContact CG-CG 4.15Å; P349-R354 VanDerWaalsContact O-CZ 3.27Å; P349-R354 PolarHBondContact O-NE 2.96Å; P349-R354 PolarHBondContact O-NH2 3.29Å
350G92Very high84.7Confident40 Ų40120.9 Ų120.941%0.41264%0.635SS.*PPolyproline II helixtrans-66.8166.5-177.700000113.1E348 R352 E353 R354E348-G350 PolarHBondContact O-N 3.29Å; G350-R352 PolarHBondContact O-N 3.05Å; G350-E353 PolarHBondContact O-N 3.02Å; G350-R354 WeakPolarHBondContact O-CG 3.45Å; G350-R354 PolarHBondContact O-N 2.89Å
351R90.6Very high86.6Confident229 Ų229119.1 Ų119.186%0.86462%0.617SS**Hα-helixtrans-53.3-39.8178.6-72.3-172.8178.9-164.50.2112.9L355R351-L355 PolarHBondContact O-N 3.32Å; R351-L355 VanDerWaalsContact O-N 3.1Å
352R91.7Very high87.7Confident230 Ų230121.6 Ų121.687%0.86862%0.615SS**Hα-helixtrans-64.4-42.9177.2-178.1178.4178.5179.6-0.1112.2G350 L355 G356G350-R352 PolarHBondContact O-N 3.05Å; R352-L355 PolarHBondContact O-N 3.04Å; R352-G356 PolarHBondContact O-N 2.96Å
353E89.3Confident88.8Confident114 Ų114117.2 Ų117.253%0.53359%0.591SS.*Hα-helixtrans-71.9-40.2-177.8-171.5177-173.300111.4P349 G350 L355 G356 L357P349-E353 WeakPolarHBondContact CA-OE2 3.24Å; P349-E353 HydrophobicContact CB-CB 4.07Å; P349-E353 HydrophobicContact CB-CG 3.89Å; P349-E353 VanDerWaalsContact CB-OE2 3.25Å; P349-E353 WeakPolarHBondContact CB-OE2 3.48Å; G350-E353 PolarHBondContact O-N 3.02Å; E353-L355 VanDerWaalsContact C-N 3.29Å; E353-L355 PolarHBondContact O-N 2.82Å; E353-G356 PolarHBondContact O-N 3.09Å; E353-G356 VanDerWaalsContact O-N 3.16Å; E353-L357 HydrophobicContact CG-CD1 4.24Å; E353-L357 WeakPolarHBondContact O-CB 3.38Å; E353-L357 WeakPolarHBondContact O-CG 3.45Å; E353-L357 PolarHBondContact O-N 3.28Å
354R93.6Very high89.9Confident108 Ų108114.5 Ų114.541%0.40857%0.568SS.*Hα-helixtrans-58.7-40.9170.5-66.8178.6-153.1177.9-2.6111.9E348 P349 G350 K358E348-R354 IonicContact OE2-CZ 2.79Å; E348-R354 IonicContact OE2-NH2 3.43Å; E348-R354 PolarHBondContact OE2-NH2 3.34Å; P349-R354 HydrophobicContact CB-CG 4.37Å; P349-R354 HydrophobicContact CG-CG 4.15Å; P349-R354 VanDerWaalsContact O-CZ 3.27Å; P349-R354 PolarHBondContact O-NE 2.96Å; P349-R354 PolarHBondContact O-NH2 3.29Å; G350-R354 WeakPolarHBondContact O-CG 3.45Å; G350-R354 PolarHBondContact O-N 2.89Å; R354-K358 WeakPolarHBondContact O-CB 3.38Å; R354-K358 VanDerWaalsContact O-CG 3.29Å; R354-K358 WeakPolarHBondContact O-CG 3.29Å; R354-K358 PolarHBondContact O-N 3.11Å
355L93.7Very high90.6Very high104 Ų104108.3 Ų108.355%0.54555%0.551SS.*Hα-helixtrans-66.1-42.7175.7-175.363.8000111.2R351 R352 E353 K358 M359R351-L355 PolarHBondContact O-N 3.32Å; R351-L355 VanDerWaalsContact O-N 3.1Å; R352-L355 PolarHBondContact O-N 3.04Å; E353-L355 VanDerWaalsContact C-N 3.29Å; E353-L355 PolarHBondContact O-N 2.82Å; L355-K358 PolarHBondContact O-N 3.11Å; L355-M359 HydrophobicContact CG-SD 4.3Å; L355-M359 WeakPolarHBondContact O-CG 3.31Å; L355-M359 PolarHBondContact O-N 2.98Å
356G94.4Very high91.4Very high37 Ų37105.9 Ų105.938%0.38154%0.541SS..Hα-helixtrans-59.5-46.6175.100000112.7R352 E353 K358 M359 A360R352-G356 PolarHBondContact O-N 2.96Å; E353-G356 PolarHBondContact O-N 3.09Å; E353-G356 VanDerWaalsContact O-N 3.16Å; G356-K358 PolarHBondContact O-N 2.94Å; G356-M359 PolarHBondContact O-N 3.49Å; G356-A360 VanDerWaalsContact O-CB 3.31Å; G356-A360 WeakPolarHBondContact O-CB 3.41Å; G356-A360 PolarHBondContact O-N 2.87Å
357L92.8Very high91.7Very high88 Ų88104.7 Ų104.746%0.46154%0.536SS..Hα-helixtrans-61.3-42.9175-76.9159.5000111.7E353 A360 N361E353-L357 HydrophobicContact CG-CD1 4.24Å; E353-L357 WeakPolarHBondContact O-CB 3.38Å; E353-L357 WeakPolarHBondContact O-CG 3.45Å; E353-L357 PolarHBondContact O-N 3.28Å; L357-A360 PolarHBondContact O-N 3.33Å; L357-N361 VanDerWaalsContact O-CB 3.31Å; L357-N361 WeakPolarHBondContact O-CB 3.37Å; L357-N361 PolarHBondContact O-N 3.31Å; L357-N361 PolarHBondContact O-ND2 2.91Å
358K94.8Very high92.1Very high147 Ų147105.8 Ų105.864%0.63953%0.53SS*.Hα-helixtrans-60.3-48.5174.8-78.1-179.7179.3-170.50111.8R354 L355 G356 N361 E362R354-K358 WeakPolarHBondContact O-CB 3.38Å; R354-K358 VanDerWaalsContact O-CG 3.29Å; R354-K358 WeakPolarHBondContact O-CG 3.29Å; R354-K358 PolarHBondContact O-N 3.11Å; L355-K358 PolarHBondContact O-N 3.11Å; G356-K358 PolarHBondContact O-N 2.94Å; K358-N361 PolarHBondContact O-N 3.29Å; K358-E362 WeakPolarHBondContact O-CB 3.47Å; K358-E362 PolarHBondContact O-N 3.45Å
359M92.9Very high92.5Very high118 Ų118101 Ų10158%0.58152%0.517SS*.Hα-helixtrans-64.8-40.6179-70.6179.37000112.3L355 G356 E362 A363L355-M359 HydrophobicContact CG-SD 4.3Å; L355-M359 WeakPolarHBondContact O-CG 3.31Å; L355-M359 PolarHBondContact O-N 2.98Å; G356-M359 PolarHBondContact O-N 3.49Å; M359-E362 PolarHBondContact O-N 3.09Å; M359-A363 VanDerWaalsContact O-CB 3.31Å; M359-A363 WeakPolarHBondContact O-CB 3.45Å; M359-A363 PolarHBondContact O-N 3.36Å
360A94.1Very high92.8Very high56 Ų56106 Ų10646%0.46353%0.533SS..Hα-helixtrans-63.6-4517700000111.4G356 L357 A363 A364G356-A360 VanDerWaalsContact O-CB 3.31Å; G356-A360 WeakPolarHBondContact O-CB 3.41Å; G356-A360 PolarHBondContact O-N 2.87Å; L357-A360 PolarHBondContact O-N 3.33Å; A360-A363 PolarHBondContact O-N 3.32Å; A360-A364 VanDerWaalsContact O-CB 3.27Å; A360-A364 WeakPolarHBondContact O-CB 3.48Å; A360-A364 PolarHBondContact O-N 2.89Å
361N93.7Very high92.8Very high109 Ų109111.1 Ų111.158%0.58354%0.544SS*.Hα-helixtrans-65.1-40.6176.8-72.9-20.8000111.8L357 K358 A364 A365L357-N361 VanDerWaalsContact O-CB 3.31Å; L357-N361 WeakPolarHBondContact O-CB 3.37Å; L357-N361 PolarHBondContact O-N 3.31Å; L357-N361 PolarHBondContact O-ND2 2.91Å; K358-N361 PolarHBondContact O-N 3.29Å; N361-A364 PolarHBondContact O-N 3.2Å; N361-A365 VanDerWaalsContact O-CB 3.28Å; N361-A365 WeakPolarHBondContact O-CB 3.39Å; N361-A365 PolarHBondContact O-N 2.76Å
362E95.5Very high92.7Very high103 Ų103106 Ų10648%0.48153%0.53SS..Hα-helixtrans-66.1-43.1176.8-166.8-173.1157.700111.8K358 M359 A365 K366K358-E362 WeakPolarHBondContact O-CB 3.47Å; K358-E362 PolarHBondContact O-N 3.45Å; M359-E362 PolarHBondContact O-N 3.09Å; E362-A365 PolarHBondContact O-N 3.02Å; E362-K366 WeakPolarHBondContact O-CB 3.27Å; E362-K366 WeakPolarHBondContact O-CG 3.33Å; E362-K366 PolarHBondContact O-N 2.86Å; E362-K366 VanDerWaalsContact OE1-CE 3.22Å; E362-K366 WeakPolarHBondContact OE1-CE 3.48Å; E362-K366 IonicContact OE1-NZ 3.98Å; E362-K366 PolarHBondContact OE1-NZ 3.26Å
363A94.2Very high92.4Very high48 Ų4899.8 Ų99.840%0.39751%0.51SS..Hα-helixtrans-64.7-42.9175.500000111.8M359 A360 A365 K366 N367M359-A363 VanDerWaalsContact O-CB 3.31Å; M359-A363 WeakPolarHBondContact O-CB 3.45Å; M359-A363 PolarHBondContact O-N 3.36Å; A360-A363 PolarHBondContact O-N 3.32Å; A363-A365 VanDerWaalsContact C-N 3.35Å; A363-K366 PolarHBondContact O-N 3.02Å; A363-N367 WeakPolarHBondContact O-CB 3.49Å; A363-N367 PolarHBondContact O-N 3.2Å; A363-N367 PolarHBondContact O-ND2 3.33Å
364A92.8Very high92.3Very high31 Ų3196.9 Ų96.926%0.25651%0.506SS..Hα-helixtrans-63-41175.200000111.7A360 N361 N367 R368A360-A364 VanDerWaalsContact O-CB 3.27Å; A360-A364 WeakPolarHBondContact O-CB 3.48Å; A360-A364 PolarHBondContact O-N 2.89Å; N361-A364 PolarHBondContact O-N 3.2Å; A364-N367 PolarHBondContact O-N 2.95Å; A364-R368 WeakPolarHBondContact O-CG 3.38Å; A364-R368 PolarHBondContact O-N 2.92Å
365A92.5Very high91.8Very high54 Ų5496.3 Ų96.345%0.44651%0.511SS..Hα-helixtrans-63.1-46.2175.200000111.8N361 E362 A363 N367 R368 A369N361-A365 VanDerWaalsContact O-CB 3.28Å; N361-A365 WeakPolarHBondContact O-CB 3.39Å; N361-A365 PolarHBondContact O-N 2.76Å; E362-A365 PolarHBondContact O-N 3.02Å; A363-A365 VanDerWaalsContact C-N 3.35Å; A365-N367 VanDerWaalsContact C-N 3.35Å; A365-N367 PolarHBondContact O-N 2.93Å; A365-R368 PolarHBondContact O-N 3.39Å; A365-A369 WeakPolarHBondContact O-CB 3.29Å; A365-A369 PolarHBondContact O-N 3.34Å
366K93.9Very high91.3Very high125 Ų12599.4 Ų99.454%0.54352%0.515SS..Hα-helixtrans-60.5-42.2176.1-74.1175.3-176170.80112.2E362 A363 A369 K370E362-K366 WeakPolarHBondContact O-CB 3.27Å; E362-K366 WeakPolarHBondContact O-CG 3.33Å; E362-K366 PolarHBondContact O-N 2.86Å; E362-K366 VanDerWaalsContact OE1-CE 3.22Å; E362-K366 WeakPolarHBondContact OE1-CE 3.48Å; E362-K366 IonicContact OE1-NZ 3.98Å; E362-K366 PolarHBondContact OE1-NZ 3.26Å; A363-K366 PolarHBondContact O-N 3.02Å; K366-A369 PolarHBondContact O-N 3.06Å; K366-K370 WeakPolarHBondContact O-CB 3.45Å; K366-K370 PolarHBondContact O-N 3.26Å
367N89.9Confident90.6Very high110 Ų110104.3 Ų104.359%0.58852%0.522SS*.Hα-helixtrans-66.8-39.7177.3-74-26.3000112.4A363 A364 A365 K371A363-N367 WeakPolarHBondContact O-CB 3.49Å; A363-N367 PolarHBondContact O-N 3.2Å; A363-N367 PolarHBondContact O-ND2 3.33Å; A364-N367 PolarHBondContact O-N 2.95Å; A365-N367 VanDerWaalsContact C-N 3.35Å; A365-N367 PolarHBondContact O-N 2.93Å; N367-K371 WeakPolarHBondContact O-CB 3.27Å; N367-K371 PolarHBondContact O-N 2.8Å
368R91.3Very high89.8Confident167 Ų167104 Ų10463%0.6352%0.524SS*.Hα-helixtrans-64.1-44.5173.8-73.6-178.2-171.2112.5-2.9111.7A364 A365 K371 Q372A364-R368 WeakPolarHBondContact O-CG 3.38Å; A364-R368 PolarHBondContact O-N 2.92Å; A365-R368 PolarHBondContact O-N 3.39Å; R368-K371 PolarHBondContact O-N 2.91Å; R368-Q372 WeakPolarHBondContact O-CG 3.29Å; R368-Q372 PolarHBondContact O-N 3.49Å
369A92.1Very high89Confident53 Ų53100.9 Ų100.944%0.43852%0.517SS..Hα-helixtrans-61.3-45.4176.800000111.7A365 K366 K371 Q372 E373A365-A369 WeakPolarHBondContact O-CB 3.29Å; A365-A369 PolarHBondContact O-N 3.34Å; K366-A369 PolarHBondContact O-N 3.06Å; A369-K371 VanDerWaalsContact C-N 3.33Å; A369-K371 PolarHBondContact O-N 3.45Å; A369-Q372 PolarHBondContact O-N 3.36Å; A369-E373 PolarHBondContact O-N 3.12Å
370K92.6Very high87.9Confident154 Ų154100.7 Ų100.767%0.6752%0.515SS*.Hα-helixtrans-61.7-39.8175.9-172.2177.9-178.9-179.20112.4K366 A374K366-K370 WeakPolarHBondContact O-CB 3.45Å; K366-K370 PolarHBondContact O-N 3.26Å; K370-A374 VanDerWaalsContact O-CB 3.31Å; K370-A374 WeakPolarHBondContact O-CB 3.47Å; K370-A374 PolarHBondContact O-N 3.41Å
371K92.1Very high86.5Confident148 Ų148103.5 Ų103.564%0.64352%0.522SS*.Hα-helixtrans-63.5-45.3174.5-175.3179.7178.6-178.80110.8N367 R368 A369 A374 L375N367-K371 WeakPolarHBondContact O-CB 3.27Å; N367-K371 PolarHBondContact O-N 2.8Å; R368-K371 PolarHBondContact O-N 2.91Å; A369-K371 VanDerWaalsContact C-N 3.33Å; A369-K371 PolarHBondContact O-N 3.45Å; K371-A374 PolarHBondContact O-N 3.4Å; K371-L375 HydrophobicContact CG-CD1 4.17Å; K371-L375 WeakPolarHBondContact O-CB 3.44Å; K371-L375 VanDerWaalsContact O-CG 3.25Å; K371-L375 WeakPolarHBondContact O-CG 3.45Å; K371-L375 PolarHBondContact O-N 3.13Å
372Q88.4Confident85.1Confident122 Ų122104.7 Ų104.757%0.5753%0.528SS*.Hα-helixtrans-65-40.7178.1-73.8176.6-10.200112.4R368 A369 L375 R376R368-Q372 WeakPolarHBondContact O-CG 3.29Å; R368-Q372 PolarHBondContact O-N 3.49Å; A369-Q372 PolarHBondContact O-N 3.36Å; Q372-L375 PolarHBondContact O-N 2.89Å; Q372-R376 WeakPolarHBondContact O-CB 3.3Å; Q372-R376 WeakPolarHBondContact O-CG 3.47Å; Q372-R376 PolarHBondContact O-N 3.11Å
373E86.6Confident83.2Confident99 Ų99103.7 Ų103.746%0.46354%0.537SS..Hα-helixtrans-67.7-40.2176.5-166.6-172.416100111.9A369 L375 R376 R377A369-E373 PolarHBondContact O-N 3.12Å; E373-L375 VanDerWaalsContact C-N 3.35Å; E373-R376 PolarHBondContact O-N 2.81Å; E373-R377 VanDerWaalsContact O-CG 3.3Å; E373-R377 WeakPolarHBondContact O-CG 3.45Å; E373-R377 PolarHBondContact O-N 2.96Å; E373-R377 IonicContact OE1-CZ 3.62Å; E373-R377 IonicContact OE1-NH1 3.75Å; E373-R377 PolarHBondContact OE1-NH1 3.05Å; E373-R377 IonicContact OE1-NH2 2.81Å; E373-R377 PolarHBondContact OE1-NH2 2.9Å
374A87.3Confident81.3Confident54 Ų54104.9 Ų104.945%0.44654%0.542SS..Hα-helixtrans-62.5-42.7174.200000111.7K370 K371 R377 V378K370-A374 VanDerWaalsContact O-CB 3.31Å; K370-A374 WeakPolarHBondContact O-CB 3.47Å; K370-A374 PolarHBondContact O-N 3.41Å; K371-A374 PolarHBondContact O-N 3.4Å; A374-R377 PolarHBondContact O-N 3.39Å; A374-V378 WeakPolarHBondContact O-CG2 3.44Å; A374-V378 PolarHBondContact O-N 2.85Å
375L82.1Confident79.1Confident96 Ų96111.4 Ų111.450%0.50357%0.572SS.*Hα-helixtrans-63.9-44.4174.1-71172.5000111.3K371 Q372 E373 R377 V378 T379K371-L375 HydrophobicContact CG-CD1 4.17Å; K371-L375 WeakPolarHBondContact O-CB 3.44Å; K371-L375 VanDerWaalsContact O-CG 3.25Å; K371-L375 WeakPolarHBondContact O-CG 3.45Å; K371-L375 PolarHBondContact O-N 3.13Å; Q372-L375 PolarHBondContact O-N 2.89Å; E373-L375 VanDerWaalsContact C-N 3.35Å; L375-R377 VanDerWaalsContact C-N 3.35Å; L375-R377 PolarHBondContact O-N 2.92Å; L375-V378 PolarHBondContact O-N 3.35Å; L375-T379 WeakPolarHBondContact O-CG2 3.31Å; L375-T379 PolarHBondContact O-N 3.46Å; L375-T379 PolarHBondContact O-OG1 3.38Å
376R83.6Confident77Confident168 Ų168114.1 Ų114.163%0.63458%0.583SS**Hα-helixtrans-57.5-44.7175-79.9-177.4176.9178-0.7112.3Q372 E373 V378 T379 E380Q372-R376 WeakPolarHBondContact O-CB 3.3Å; Q372-R376 WeakPolarHBondContact O-CG 3.47Å; Q372-R376 PolarHBondContact O-N 3.11Å; E373-R376 PolarHBondContact O-N 2.81Å; R376-V378 PolarHBondContact O-N 3.02Å; R376-T379 VanDerWaalsContact CA-OG1 3.28Å; R376-T379 WeakPolarHBondContact CA-OG1 3.48Å; R376-T379 PolarHBondContact O-N 2.78Å; R376-T379 PolarHBondContact O-OG1 3.36Å; R376-E380 WeakPolarHBondContact O-CB 3.49Å; R376-E380 WeakPolarHBondContact O-CG 3.4Å; R376-E380 PolarHBondContact O-N 3.28Å
377R80.6Confident75Confident140 Ų140114.4 Ų114.453%0.52860%0.598SS.*Hα-helixtrans-62.3-40.5176.1-72.3-108.3176.97114.1112.3E373 A374 L375 N381E373-R377 VanDerWaalsContact O-CG 3.3Å; E373-R377 WeakPolarHBondContact O-CG 3.45Å; E373-R377 PolarHBondContact O-N 2.96Å; E373-R377 IonicContact OE1-CZ 3.62Å; E373-R377 IonicContact OE1-NH1 3.75Å; E373-R377 PolarHBondContact OE1-NH1 3.05Å; E373-R377 IonicContact OE1-NH2 2.81Å; E373-R377 PolarHBondContact OE1-NH2 2.9Å; A374-R377 PolarHBondContact O-N 3.39Å; L375-R377 VanDerWaalsContact C-N 3.35Å; L375-R377 PolarHBondContact O-N 2.92Å; R377-N381 WeakPolarHBondContact O-CB 3.39Å; R377-N381 PolarHBondContact O-N 2.81Å; R377-N381 PolarHBondContact O-ND2 3.05Å; R377-N381 VanDerWaalsContact O-ND2 3.08Å
378V76Confident72.6Confident81 Ų81118.3 Ų118.349%0.49161%0.609SS.*Hα-helixtrans-66.1-43.5175.4171.70000110.6A374 L375 R376 N381 L382A374-V378 WeakPolarHBondContact O-CG2 3.44Å; A374-V378 PolarHBondContact O-N 2.85Å; L375-V378 PolarHBondContact O-N 3.35Å; R376-V378 PolarHBondContact O-N 3.02Å; V378-N381 PolarHBondContact O-N 3.46Å; V378-L382 HydrophobicContact CG1-CD1 4.09Å; V378-L382 WeakPolarHBondContact O-CG 3.42Å; V378-L382 PolarHBondContact O-N 3.45Å
379T76.7Confident70.3Confident82 Ų82113.4 Ų113.450%0.50361%0.611SS.*Hα-helixtrans-67.8-37.8178.354.70000112.6L375 R376 L382 A383L375-T379 WeakPolarHBondContact O-CG2 3.31Å; L375-T379 PolarHBondContact O-N 3.46Å; L375-T379 PolarHBondContact O-OG1 3.38Å; R376-T379 VanDerWaalsContact CA-OG1 3.28Å; R376-T379 WeakPolarHBondContact CA-OG1 3.48Å; R376-T379 PolarHBondContact O-N 2.78Å; R376-T379 PolarHBondContact O-OG1 3.36Å; T379-L382 PolarHBondContact O-N 3.13Å; T379-A383 VanDerWaalsContact O-CB 3.32Å; T379-A383 WeakPolarHBondContact O-CB 3.24Å; T379-A383 PolarHBondContact O-N 3Å
380E70.4Confident68.3Low115 Ų115119.6 Ų119.654%0.53764%0.636SS.*Hα-helixtrans-63.9-40.7174.8-75.4166.7-174.600111.2R376 L382 A383 S384R376-E380 WeakPolarHBondContact O-CB 3.49Å; R376-E380 WeakPolarHBondContact O-CG 3.4Å; R376-E380 PolarHBondContact O-N 3.28Å; E380-L382 VanDerWaalsContact C-N 3.32Å; E380-L382 PolarHBondContact O-N 3.37Å; E380-A383 PolarHBondContact O-N 2.88Å; E380-S384 PolarHBondContact O-N 3Å
381N63.8Low66.2Low114 Ų114118.2 Ų118.261%0.6164%0.636SS**Hα-helixtrans-68.9-28.4175.7-69.9-23.9000113.3R377 V378R377-N381 WeakPolarHBondContact O-CB 3.39Å; R377-N381 PolarHBondContact O-N 2.81Å; R377-N381 PolarHBondContact O-ND2 3.05Å; R377-N381 VanDerWaalsContact O-ND2 3.08Å; V378-N381 PolarHBondContact O-N 3.46Å
382L64.5Low64.4Low135 Ų135117.2 Ų117.271%0.70764%0.644SS**Hα-helixtrans-82-26.2174.8-70.2175000112.5V378 T379 E380V378-L382 HydrophobicContact CG1-CD1 4.09Å; V378-L382 WeakPolarHBondContact O-CG 3.42Å; V378-L382 PolarHBondContact O-N 3.45Å; T379-L382 PolarHBondContact O-N 3.13Å; E380-L382 VanDerWaalsContact C-N 3.32Å; E380-L382 PolarHBondContact O-N 3.37Å
383A56.8Low63.1Low82 Ų82115.1 Ų115.168%0.67865%0.648SS**Hα-helixtrans-82.4-18.8-179.900000114T379 E380 L385T379-A383 VanDerWaalsContact O-CB 3.32Å; T379-A383 WeakPolarHBondContact O-CB 3.24Å; T379-A383 PolarHBondContact O-N 3Å; E380-A383 PolarHBondContact O-N 2.88Å; A383-L385 PolarHBondContact O-N 3.43Å
384S52.8Low61.7Low72 Ų72114.6 Ų114.650%0.50365%0.646SS.*  trans-87.579.7179.5700000112.6E380 T386E380-S384 PolarHBondContact O-N 3Å; S384-T386 PolarHBondContact O-N 2.81Å; S384-T386 VanDerWaalsContact O-N 3.11Å
385L48.2Very low60.9Low169 Ų169115.1 Ų115.189%0.88565%0.647SS**  trans-79.944.8169.1-73.9170.1000112.7A383A383-L385 PolarHBondContact O-N 3.43Å
386T48.5Very low60.2Low110 Ų110115.5 Ų115.568%0.67566%0.655SS**  trans-126.7117.3175.94.70000110.9S384 K388S384-T386 PolarHBondContact O-N 2.81Å; S384-T386 VanDerWaalsContact O-N 3.11Å; T386-K388 PolarHBondContact O-N 3.27Å
387P50.5Low59.3Low131 Ų131111 Ų11185%0.85165%0.654SS**  trans-84.985.7-176.633.9-31.2000109.1
388K40.5Very low58.7Low192 Ų192108.4 Ų108.484%0.83565%0.65SS**  trans-134.6103.6168.1-87.1170-178.6169.60110.7T386T386-K388 PolarHBondContact O-N 3.27Å
389G43.5Very low58.3Low64 Ų64109 Ų10966%0.6665%0.648SS**SBendtrans81.8100.5146.200000117
390L49.7Very low58Low184 Ų184114.5 Ų114.596%0.96366%0.659SS**  trans39.482.9145.4-72.7150.1000116
391N47.9Very low58Low125 Ų125113.9 Ų113.967%0.66866%0.659SS**  trans-75.7138.6177-77.5-23.3000113.1A393N391-A393 HydrophobicContact CB-CB 3.83Å; N391-A393 PolarHBondContact O-N 2.85Å
392P54.4Low58.3Low126 Ų126111.2 Ų111.282%0.81865%0.647SS**SBendtrans-77.949.2164.435.9-34.2000110.8
393A61.3Low58.4Low79 Ų79109 Ų10965%0.65364%0.643SS**  trans-116.342-172.300000112.6N391N391-A393 HydrophobicContact CB-CB 3.83Å; N391-A393 PolarHBondContact O-N 2.85Å
394M56.9Low58.7Low87 Ų87115.2 Ų115.243%0.42965%0.649SS.*  trans-114.3136.3173.7-71.5-166.9-169.100110.1L398 Q399 V402M394-L398 HydrophobicContact CB-CB 4.37Å; M394-L398 HydrophobicContact CB-CD2 4.38Å; M394-L398 HydrophobicContact CE-CD2 4.21Å; M394-L398 HydrophobicContact CG-CD2 3.91Å; M394-L398 HydrophobicContact SD-CD2 3.4Å; M394-L398 WeakPolarHBondContact SD-CD2 3.36Å; M394-Q399 HydrophobicContact CB-CG 3.55Å; M394-Q399 PolarHBondContact O-NE2 3.16Å; M394-V402 HydrophobicContact CE-CG2 4.18Å; M394-V402 HydrophobicContact SD-CB 4.4Å; M394-V402 HydrophobicContact SD-CG2 3.89Å
395S70.1Confident59.1Low66 Ų66115.2 Ų115.246%0.46265%0.646SS.*  trans-56.3150.2170.774.60000109.8A397 L398 Q399S395-A397 PolarHBondContact O-N 3.09Å; S395-L398 PolarHBondContact O-N 3.37Å; S395-L398 WeakPolarHBondContact OG-CB 3.42Å; S395-L398 PolarHBondContact OG-N 2.9Å; S395-Q399 PolarHBondContact O-N 3.26Å
396P68.4Low59.4Low103 Ų103111 Ų11167%0.66964%0.635SS**Hα-helixtrans-54.9-26.8-179.7-27.634.8000113.9R400P396-R400 WeakPolarHBondContact O-CG 3.32Å; P396-R400 PolarHBondContact O-N 2.96Å
397A64.8Low59.6Low73 Ų73110.3 Ų110.360%0.60364%0.635SS**Hα-helixtrans-72.5-39174.800000112.6S395 R400 L401S395-A397 PolarHBondContact O-N 3.09Å; A397-R400 PolarHBondContact O-N 2.87Å; A397-L401 PolarHBondContact O-N 3.06Å
398L66.5Low59.9Low86 Ų86111.7 Ų111.745%0.4563%0.627SS.*Hα-helixtrans-78.8-33.9-177.4-148.5142.3000111.5M394 S395 R400 L401 V402M394-L398 HydrophobicContact CB-CB 4.37Å; M394-L398 HydrophobicContact CB-CD2 4.38Å; M394-L398 HydrophobicContact CE-CD2 4.21Å; M394-L398 HydrophobicContact CG-CD2 3.91Å; M394-L398 HydrophobicContact SD-CD2 3.4Å; M394-L398 WeakPolarHBondContact SD-CD2 3.36Å; S395-L398 PolarHBondContact O-N 3.37Å; S395-L398 WeakPolarHBondContact OG-CB 3.42Å; S395-L398 PolarHBondContact OG-N 2.9Å; L398-R400 VanDerWaalsContact C-N 3.31Å; L398-R400 PolarHBondContact O-N 3.47Å; L398-L401 PolarHBondContact O-N 3.43Å; L398-V402 HydrophobicContact CD2-CG2 4.04Å; L398-V402 WeakPolarHBondContact O-CG2 3.33Å; L398-V402 PolarHBondContact O-N 3.42Å
399Q68.7Low60.5Low94 Ų94113.3 Ų113.344%0.43963%0.63SS.*Hα-helixtrans-57.7-44.4168.4-70.9-176.5-700111.6M394 S395 L401 V402 S403M394-Q399 HydrophobicContact CB-CG 3.55Å; M394-Q399 PolarHBondContact O-NE2 3.16Å; S395-Q399 PolarHBondContact O-N 3.26Å; Q399-L401 VanDerWaalsContact C-N 3.32Å; Q399-L401 PolarHBondContact O-N 2.98Å; Q399-V402 PolarHBondContact O-N 3.13Å; Q399-S403 VanDerWaalsContact O-CB 3.32Å; Q399-S403 WeakPolarHBondContact O-CB 3.42Å; Q399-S403 PolarHBondContact O-N 3.12Å; Q399-S403 PolarHBondContact O-OG 3.43Å
400R69.4Low61Low197 Ų197116 Ų11674%0.74363%0.633SS**Hα-helixtrans-65.5-35.2178.6-80.2178.2152.2-176.8-6.6112.8P396 A397 L398 R404P396-R400 WeakPolarHBondContact O-CG 3.32Å; P396-R400 PolarHBondContact O-N 2.96Å; A397-R400 PolarHBondContact O-N 2.87Å; L398-R400 VanDerWaalsContact C-N 3.31Å; L398-R400 PolarHBondContact O-N 3.47Å; R400-R404 WeakPolarHBondContact O-CD 3.48Å; R400-R404 WeakPolarHBondContact O-CG 3.45Å; R400-R404 PolarHBondContact O-N 3.24Å
401L71.2Confident61.1Low103 Ų103112.1 Ų112.154%0.53961%0.614SS.*Hα-helixtrans-70.3-48.4177-170.1148.2000111.1A397 L398 Q399 S403 R404 T405A397-L401 PolarHBondContact O-N 3.06Å; L398-L401 PolarHBondContact O-N 3.43Å; Q399-L401 VanDerWaalsContact C-N 3.32Å; Q399-L401 PolarHBondContact O-N 2.98Å; L401-S403 VanDerWaalsContact C-N 3.34Å; L401-S403 PolarHBondContact O-N 3.45Å; L401-R404 CarbonylContact O-C 3.59Å; L401-R404 WeakPolarHBondContact O-CA 3.48Å; L401-R404 WeakPolarHBondContact O-CB 3.22Å; L401-R404 PolarHBondContact O-N 3.45Å; L401-T405 HydrophobicContact CD2-CG2 4.01Å; L401-T405 WeakPolarHBondContact O-CG2 3.41Å; L401-T405 PolarHBondContact O-N 3.42Å; L401-T405 PolarHBondContact O-OG1 3.18Å
402V69.3Low61.5Low58 Ų58116.7 Ų116.735%0.35262%0.622SS.*Hα-helixtrans-63.7-39.6179.4173.40000111.8M394 L398 Q399 R404 T405 A406M394-V402 HydrophobicContact CE-CG2 4.18Å; M394-V402 HydrophobicContact SD-CB 4.4Å; M394-V402 HydrophobicContact SD-CG2 3.89Å; L398-V402 HydrophobicContact CD2-CG2 4.04Å; L398-V402 WeakPolarHBondContact O-CG2 3.33Å; L398-V402 PolarHBondContact O-N 3.42Å; Q399-V402 PolarHBondContact O-N 3.13Å; V402-R404 PolarHBondContact O-N 3.42Å; V402-T405 WeakPolarHBondContact CA-OG1 3.38Å; V402-T405 PolarHBondContact O-N 2.64Å; V402-T405 PolarHBondContact O-OG1 2.94Å; V402-A406 VanDerWaalsContact O-CB 3.27Å; V402-A406 WeakPolarHBondContact O-CB 3.44Å; V402-A406 PolarHBondContact O-N 3.46Å
403S67.7Low61.7Low89 Ų89114.4 Ų114.462%0.62261%0.613SS**Hα-helixtrans-60.4-33.1173.2-53.40000112.4Q399 L401Q399-S403 VanDerWaalsContact O-CB 3.32Å; Q399-S403 WeakPolarHBondContact O-CB 3.42Å; Q399-S403 PolarHBondContact O-N 3.12Å; Q399-S403 PolarHBondContact O-OG 3.43Å; L401-S403 VanDerWaalsContact C-N 3.34Å; L401-S403 PolarHBondContact O-N 3.45Å
404R62.1Low61.4Low212 Ų212115.9 Ų115.980%0.861%0.609SS**Hα-helixtrans-80.6-30.3177.4-73.9173.671.5-167.93.2112.8R400 L401 V402R400-R404 WeakPolarHBondContact O-CD 3.48Å; R400-R404 WeakPolarHBondContact O-CG 3.45Å; R400-R404 PolarHBondContact O-N 3.24Å; L401-R404 CarbonylContact O-C 3.59Å; L401-R404 WeakPolarHBondContact O-CA 3.48Å; L401-R404 WeakPolarHBondContact O-CB 3.22Å; L401-R404 PolarHBondContact O-N 3.45Å; V402-R404 PolarHBondContact O-N 3.42Å
405T60.5Low61.3Low72 Ų72122 Ų12244%0.44263%0.628SS.*Hα-helixtrans-91.9-16.5-176.357.50000114L401 V402L401-T405 HydrophobicContact CD2-CG2 4.01Å; L401-T405 WeakPolarHBondContact O-CG2 3.41Å; L401-T405 PolarHBondContact O-N 3.42Å; L401-T405 PolarHBondContact O-OG1 3.18Å; V402-T405 WeakPolarHBondContact CA-OG1 3.38Å; V402-T405 PolarHBondContact O-N 2.64Å; V402-T405 PolarHBondContact O-OG1 2.94Å
406A55.5Low60.5Low81 Ų81123.1 Ų123.167%0.66964%0.641SS**SBendtrans-80.1-11.9-179.700000114.2V402 K408V402-A406 VanDerWaalsContact O-CB 3.27Å; V402-A406 WeakPolarHBondContact O-CB 3.44Å; V402-A406 PolarHBondContact O-N 3.46Å; A406-K408 PolarHBondContact O-N 2.94Å
407S52.8Low59.8Low95 Ų95122.2 Ų122.266%0.66464%0.637SS**  trans-9582172.1-164.30000109.9
408K56.7Low58.9Low159 Ų159127.8 Ų127.869%0.69164%0.644SS**  trans-110.3131.3164.4-61.5-175.1-176-1750106.8A406A406-K408 PolarHBondContact O-N 2.94Å
409Y53.5Low58.1Low226 Ų226129.4 Ų129.489%0.88666%0.657SS**  trans8562.8178.3-54.7-83.7000117.9
410T52.8Low57Low120 Ų120131 Ų13174%0.73668%0.675SS**  trans-142.3111.5131.2510000108.8R412T410-R412 VanDerWaalsContact C-N 3.28Å; T410-R412 PolarHBondContact O-N 3.02Å
411D51.4Low55.4Low103 Ų103126.8 Ų126.855%0.55168%0.676SS**  trans-75.478.3-175.7-157.8-24.8000111.1A413 L414D411-A413 VanDerWaalsContact C-N 3.29Å; D411-L414 WeakPolarHBondContact OD1-CB 3.27Å; D411-L414 VanDerWaalsContact OD1-CG 3.26Å; D411-L414 WeakPolarHBondContact OD1-CG 3.26Å; D411-L414 PolarHBondContact OD1-N 3.25Å; D411-L414 VanDerWaalsContact OD1-N 3.08Å; D411-L414 WeakPolarHBondContact OD2-CD1 3.4Å; D411-L414 VanDerWaalsContact OD2-CG 3.31Å; D411-L414 WeakPolarHBondContact OD2-CG 2.98Å
412R57.1Low54.4Low222 Ų222127.8 Ų127.884%0.83869%0.689SS**THydrogen-bonded Turntrans-79.3-15.5-179.3-164155.2177.7155.7-3.6112.4T410T410-R412 VanDerWaalsContact C-N 3.28Å; T410-R412 PolarHBondContact O-N 3.02Å
413A58.6Low52.8Low77 Ų77130 Ų13064%0.63671%0.714SS**THydrogen-bonded Turntrans-81.3-40.9177.900000112D411 R415 A416D411-A413 VanDerWaalsContact C-N 3.29Å; A413-R415 VanDerWaalsContact C-N 3.29Å; A413-R415 PolarHBondContact O-N 3.46Å; A413-A416 PolarHBondContact O-N 3.42Å
414L54.4Low51.4Low110 Ų110137.1 Ų137.158%0.57673%0.727SS**G310 helixtrans-71.9-19.7177.5-67.8-172.1000114.1D411 A416 S417D411-L414 WeakPolarHBondContact OD1-CB 3.27Å; D411-L414 VanDerWaalsContact OD1-CG 3.26Å; D411-L414 WeakPolarHBondContact OD1-CG 3.26Å; D411-L414 PolarHBondContact OD1-N 3.25Å; D411-L414 VanDerWaalsContact OD1-N 3.08Å; D411-L414 WeakPolarHBondContact OD2-CD1 3.4Å; D411-L414 VanDerWaalsContact OD2-CG 3.31Å; D411-L414 WeakPolarHBondContact OD2-CG 2.98Å; L414-A416 VanDerWaalsContact C-N 3.32Å; L414-S417 PolarHBondContact O-OG 3.25Å
415R55.8Low50.2Low217 Ų217132.8 Ų132.882%0.81973%0.729SS**G310 helixtrans-78.6-17.3176.3-160.3169-179.4137.8-1113.2A413A413-R415 VanDerWaalsContact C-N 3.29Å; A413-R415 PolarHBondContact O-N 3.46Å
416A53.5Low49.2Very low88 Ų88133.8 Ų133.873%0.72774%0.735SS**G310 helixtrans-83.5-11-179.400000113.6A413 L414A413-A416 PolarHBondContact O-N 3.42Å; L414-A416 VanDerWaalsContact C-N 3.32Å
417S52.4Low48.5Very low84 Ų84138.6 Ų138.659%0.58774%0.743SS**G310 helixtrans-93.4-2.6-179.654.90000114.7L414L414-S417 PolarHBondContact O-OG 3.25Å
418Y47.5Very low48Very low191 Ų191141.5 Ų141.575%0.74975%0.751SS**SBendtrans-96.5100.7172.7-73.9-81.8000110.5
419T48.3Very low47.1Very low120 Ų120143.9 Ų143.974%0.73676%0.761SS**  trans-24.6127.3165.748.40000116.8
420P45.4Very low46.4Very low126 Ų126139.3 Ų139.382%0.81876%0.757SS**  trans-97.2112.9141.531.6-23.3000109.3
421S37.1Very low46.3Very low109 Ų109139.3 Ų139.376%0.76276%0.759SS**  trans-63.1162.2169-74.20000112.3
422P48.7Very low45.6Very low125 Ų125138.7 Ų138.781%0.81277%0.768SS**  trans-101.6147.5-137.436.9-33.9000114.8
423A36.1Very low44.7Very low105 Ų105134.2 Ų134.287%0.86877%0.771SS**  trans-105.9121.7160.300000110.2
424R38.6Very low43.6Very low238 Ų238134.1 Ų134.190%0.89878%0.777SS**  trans-61.4130.1-176.6-176.3-172.6-79.8-152.2-4112.1
425S36.4Very low42.9Very low120 Ų120137.1 Ų137.184%0.83979%0.793SS**  trans-147123.8149.8-177.60000109.8
426T40.3Very low42Very low93 Ų93136 Ų13657%0.57180%0.797SS**  trans-74.6144.3-177.347.30000110.7
427H41Very low41.3Very low183 Ų183138.3 Ų138.385%0.84780%0.802SS**  -172.5123.8118-94.3-66.8000110.7
428L41.3Very low41.2Very low156 Ų156139.8 Ų139.882%0.81781%0.81SS**  trans-63.6149170.3-66.9120.8000111.4
429K39.1Very low40.9Very low209 Ų209137.3 Ų137.391%0.90982%0.815SS**  trans178.1102.8131.1-93.3157.3-170.8-171.40111.2
430T38.7Very low40.1Very low130 Ų130137 Ų13780%0.79882%0.817SS**  trans-77.4159.1142.127.40000108.1
431P51.3Low40Very low119 Ų119137 Ų13777%0.77382%0.815SS**  cis-153.5-179.349.741.4-18.9000118.8
432A36.4Very low40.1Very low91 Ų91137.5 Ų137.575%0.75282%0.816SS**  trans87.299.9139.900000120.5
433S37.2Very low39.7Very low127 Ų127135.7 Ų135.789%0.88881%0.812SS**  0.5131.9129.4-164.70000118.7
434G36.3Very low40.2Very low75 Ų75136.8 Ų136.877%0.77381%0.81SS**  trans-173.2101.816200000111.1
435L39.1Very low40.3Very low174 Ų174129 Ų12991%0.91180%0.804SS**  trans-76.5127.4168.9-78.5160.4000109.6
436Q38.2Very low40.5Very low193 Ų193128.4 Ų128.490%0.90280%0.8SS**  trans-163.4120.2155.7-107.9169.94400109.9
437T38.9Very low40.4Very low136 Ų136129 Ų12983%0.83481%0.813SS**  trans-82.6148157.543.60000108.1
438P49.4Very low40.3Very low115 Ų115126.3 Ų126.375%0.74781%0.81SS**  -152.6157.786.236.1-15.2000117.2
439T40.2Very low40.4Very low140 Ų140129.9 Ų129.986%0.85981%0.813SS**  trans21.5115.6139.4-490000120.4
440S33.1Very low40.4Very low113 Ų113124.8 Ų124.879%0.7980%0.8SS**  175.3136.4124.8-172.80000111.4
441T42.4Very low40.6Very low125 Ų125124.6 Ų124.677%0.76780%0.801SS**  trans-76.3148.5171-37.80000110.3
442P39.3Very low40.2Very low121 Ų121125.6 Ų125.679%0.78680%0.799SS**  -145.8152.795.735.3-17.1000114.7
443A39.6Very low41.1Very low87 Ų87127.9 Ų127.972%0.71980%0.803SS**  trans-75.5171.6161.300000109.9
444P47.1Very low41.7Very low128 Ų128127.6 Ų127.683%0.83179%0.788SS**  cis-134.8163.66.638.3-19.6000115
445G41.5Very low42.7Very low74 Ų74130.1 Ų130.176%0.76378%0.784SS**  trans114.9133.8155.300000116.5
446S40.8Very low43.7Very low108 Ų108128.2 Ų128.276%0.75578%0.782SS**  trans7686.9174.1-165.90000116.4T448S446-T448 PolarHBondContact O-N 3.02Å; S446-T448 VanDerWaalsContact O-N 3.08Å
447A37.3Very low44.7Very low104 Ų104123.2 Ų123.286%0.8677%0.774SS**  trans-69.1101.2161.100000109.7R449A447-R449 PolarHBondContact O-N 3.31Å
448T39.3Very low45.8Very low127 Ų127119.4 Ų119.478%0.77975%0.752SS**  trans-68.2107.1163.2-52.30000108S446 T450S446-T448 PolarHBondContact O-N 3.02Å; S446-T448 VanDerWaalsContact O-N 3.08Å; T448-T450 PolarHBondContact O-N 3.42Å
449R43.8Very low46.4Very low231 Ų231121.3 Ų121.387%0.87276%0.755SS**  trans-69.9113.3176.6-174.2175.7163.2-168.5-4.6109.2A447A447-R449 PolarHBondContact O-N 3.31Å
450T39Very low47.3Very low103 Ų103119.4 Ų119.463%0.63274%0.743SS**  trans-58.8139163.946.70000109.9T448 L452T448-T450 PolarHBondContact O-N 3.42Å; T450-L452 PolarHBondContact O-N 3.2Å
451P42.7Very low48.4Very low126 Ų126118.7 Ų118.782%0.81873%0.73SS**  trans-73102.1172.629.6-30.5000108.5T453P451-T453 PolarHBondContact O-N 2.93Å
452L43.7Very low49.3Very low140 Ų140116.6 Ų116.673%0.73371%0.714SS**  trans-81.2113.6167.2-135.887.9000107.5T450 Q454T450-L452 PolarHBondContact O-N 3.2Å; L452-Q454 PolarHBondContact O-N 2.97Å
453T54Low50.4Low139 Ų139117.2 Ų117.285%0.85371%0.71SS**  trans-60.5114.8169.7-45.40000108.2P451P451-T453 PolarHBondContact O-N 2.93Å
454Q51.2Low51.3Low121 Ų121120.9 Ų120.957%0.56572%0.717SS**  trans-78128.5179.6-75.5-178.1-30.100110.5L452L452-Q454 PolarHBondContact O-N 2.97Å
455D55.7Low52Low128 Ų128121 Ų12168%0.68471%0.706SS**  trans-80.3120.5174.4-145-0000108.9A457 S458D455-A457 PolarHBondContact O-N 3.31Å; D455-S458 PolarHBondContact O-N 3.22Å
456P59.8Low53.2Low134 Ų134124.6 Ų124.687%0.8771%0.707SS**THydrogen-bonded Turntrans-70.2-1.9-170.827.7-35.1000114.6
457A59.5Low54.4Low88 Ų88124.9 Ų124.973%0.72771%0.707SS**THydrogen-bonded Turntrans-99.4-4.4178.800000114.2D455 I459D455-A457 PolarHBondContact O-N 3.31Å; A457-I459 PolarHBondContact O-N 2.72Å
458S62.8Low55.8Low56 Ų56124.7 Ų124.739%0.39271%0.705SS.*  trans-81.1109.1-178.5-173.70000111.9D455D455-S458 PolarHBondContact O-N 3.22Å
459I61.5Low57Low154 Ų154129.8 Ų129.879%0.7971%0.71SS**SBendtrans-84.4-10-174.5-149.4163.3000113.9A457A457-I459 PolarHBondContact O-N 2.72Å
460T59.2Low58.3Low100 Ų100128.5 Ų128.561%0.61371%0.705SS**SBendtrans-105.4-17.5-171.152.80000114.2N462T460-N462 PolarHBondContact O-N 3.33Å
461D55.5Low59.9Low98 Ų98131 Ų13152%0.52471%0.708SS.*THydrogen-bonded Turntrans-83.2-12.7-163.9-151.319.1000114.6
462N61.5Low60.8Low81 Ų81128.5 Ų128.543%0.43370%0.697SS.*THydrogen-bonded Turntrans-106.55.4-178.7-73.1-61.7000114.4T460 L464 Q465T460-N462 PolarHBondContact O-N 3.33Å; N462-L464 VanDerWaalsContact C-N 3.25Å; N462-L464 PolarHBondContact O-N 3.39Å; N462-Q465 PolarHBondContact O-N 3.25Å; N462-Q465 PolarHBondContact OD1-NE2 3.28Å; N462-Q465 PolarHBondContact OD1-OE1 3.06Å
463L62.3Low62Low134 Ų134126 Ų12670%0.70269%0.691SS**THydrogen-bonded Turntrans-74-10.2-173-67174000114.7
464L58.5Low62.6Low164 Ų164124.8 Ų124.886%0.85968%0.679SS**THydrogen-bonded Turntrans-110.75.4-179.9-69.8166.7000113.8N462 L466N462-L464 VanDerWaalsContact C-N 3.25Å; N462-L464 PolarHBondContact O-N 3.39Å; L464-L466 VanDerWaalsContact C-N 3.27Å; L464-L466 PolarHBondContact O-N 3.08Å
465Q62Low63.2Low131 Ų131126.2 Ų126.261%0.61268%0.684SS**  trans-83.473.6177.2-69171.51700110.6N462N462-Q465 PolarHBondContact O-N 3.25Å; N462-Q465 PolarHBondContact OD1-NE2 3.28Å; N462-Q465 PolarHBondContact OD1-OE1 3.06Å
466L67.9Low63.2Low149 Ų149132 Ų13278%0.7870%0.704SS**PPolyproline II helixtrans-72.8141.1173-61.6176.4000110L464 A468L464-L466 VanDerWaalsContact C-N 3.27Å; L464-L466 PolarHBondContact O-N 3.08Å; L466-A468 PolarHBondContact O-N 3.2Å
467P66.1Low63.4Low114 Ų114132 Ų13274%0.7470%0.696SS**PPolyproline II helixtrans-60.7136.1174.124.4-31.7000110R469P467-R469 PolarHBondContact O-N 3.27Å; P467-R469 VanDerWaalsContact O-N 3.13Å
468A66.6Low63.6Low100 Ų100134.3 Ų134.383%0.82669%0.694SS**PPolyproline II helixtrans-56.4120.3177.700000109.9L466 R470L466-A468 PolarHBondContact O-N 3.2Å; A468-R470 PolarHBondContact O-N 3.01Å
469R64.4Low63.6Low234 Ų234138.6 Ų138.688%0.88371%0.711SS**PPolyproline II helixtrans-61.8133.5173.2-79.2-177.3167.2-170.5-3.1109P467 K471P467-R469 PolarHBondContact O-N 3.27Å; P467-R469 VanDerWaalsContact O-N 3.13Å; R469-K471 PolarHBondContact O-N 3.49Å
470R70.2Confident63.7Low204 Ų204137.7 Ų137.777%0.7771%0.706SS**PPolyproline II helixtrans-58.3134.5171.7-65.7-171.9178.5-171.2-1.3109.3A468A468-R470 PolarHBondContact O-N 3.01Å
471K72.4Confident64Low157 Ų157140.1 Ų140.168%0.68371%0.712SS**PPolyproline II helixtrans-80.4147.7-178.3-67-178.9-179.3178.40108.9R469 S473 D474R469-K471 PolarHBondContact O-N 3.49Å; K471-S473 PolarHBondContact O-N 3.32Å; K471-S473 VanDerWaalsContact O-N 3.09Å; K471-D474 WeakPolarHBondContact O-CB 3.31Å; K471-D474 PolarHBondContact O-N 3.03Å
472A61.2Low64.6Low73 Ų73142.9 Ų142.960%0.60372%0.724SS**G310 helixtrans-62.6-15.7-179.300000113.7D474 F475A472-D474 PolarHBondContact O-N 3.08Å; A472-F475 PolarHBondContact O-N 2.88Å
473S70.4Confident64.8Low86 Ų86147.3 Ų147.360%0.60175%0.745SS**G310 helixtrans-67.7-16.4171.855.40000114K471 F475K471-S473 PolarHBondContact O-N 3.32Å; K471-S473 VanDerWaalsContact O-N 3.09Å; S473-F475 PolarHBondContact O-N 3.38Å
474D65.4Low65Low114 Ų114148.3 Ų148.361%0.6175%0.749SS**G310 helixtrans-83-0.9177.8-61.6-17.5000112K471 A472K471-D474 WeakPolarHBondContact O-CB 3.31Å; K471-D474 PolarHBondContact O-N 3.03Å; A472-D474 PolarHBondContact O-N 3.08Å
475F63.7Low65.6Low152 Ų152147 Ų14767%0.66774%0.739SS**G310 helixtrans-124.97.2-175.8-73.4-81.6000114.3A472 S473A472-F475 PolarHBondContact O-N 2.88Å; S473-F475 PolarHBondContact O-N 3.38Å
476F56.4Low65.9Low250 Ų250148.5 Ų148.5100%1.09675%0.751SS**  trans-1250174.6-78.3-74000111.6

Retrieved 476 of 476 residues in 156 ms (Link to these results)