A0A061ICE4_CRIGR Loading...

ATP synthase subunit alpha

Produces ATP from ADP in the presence of a proton gradient across the membrane. Subunit alpha, of the mitochondrial membrane ATP synthase complex (F(1)F(0) ATP synthase or Complex V) that produces ATP from ADP in the presence of a proton gradient across the membrane which is generated by electron transport complexes of the respiratory chain. ATP synthase complex consist of a soluble F(1) head domain - the catalytic core - and a membrane F(1) domain - the membrane proton channel. These two domains are linked by a central stalk rotating inside the F(1) region and a stationary peripheral stalk. During catalysis, ATP synthesis in the catalytic domain of F(1) is coupled via a rotary mechanism of the central stalk subunits to proton translocation. In vivo, can only synthesize ATP although its ATP hydrolase activity can be activated artificially in vitro. With the catalytic subunit beta (ATP5F1B), forms the catalytic core in the F(1) domain. Subunit alpha does not bear the catalytic high-affinity ATP-binding sites.

AlphaFold DB , UniProt , Accession A0A061ICE4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Atp5f1a, Length 553 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
1M45.4Very low38.8Very low238 Ų238137.9 Ų137.9100%1.17283%0.834SS**  0150.90-81.6-164.7-167.800109
2L31.5Very low38.6Very low170 Ų170146.8 Ų146.889%0.8984%0.841SS**  trans80.792.1-173.3-68.8129000114.4
3S36.8Very low38.4Very low89 Ų89142.5 Ų142.562%0.62283%0.834SS**  cis107.291.438.576.70000113.2R5S3-R5 PolarHBondContact O-N 3.27Å
4V41.9Very low38.4Very low147 Ų147144.4 Ų144.489%0.89184%0.838SS**SBendtrans11.711.3135.7-1730000121.8
5R40.9Very low38.3Very low232 Ų232143.1 Ų143.188%0.87584%0.836SS**  trans-10813.9-169.2-99.7-173.3179-175.70.7118.6S3S3-R5 PolarHBondContact O-N 3.27Å
6V40.9Very low38.1Very low127 Ų127149.1 Ų149.177%0.7784%0.84SS**SBendtrans-1181.9175.9-167.20000113.4A8V6-A8 PolarHBondContact O-N 3.09Å; V6-A8 VanDerWaalsContact O-N 3.15Å
7A38.8Very low37.7Very low104 Ų104155.1 Ų155.186%0.8685%0.846SS**THydrogen-bonded Turntrans-73.83.817600000114.9
8A37.7Very low37.4Very low94 Ų94152.4 Ų152.478%0.77785%0.849SS**THydrogen-bonded Turntrans-115.41.7-17200000115.8V6V6-A8 PolarHBondContact O-N 3.09Å; V6-A8 VanDerWaalsContact O-N 3.15Å
9A36.8Very low37Very low81 Ų81147.8 Ų147.867%0.66984%0.839SS**SBendtrans-104.3-10.5-17000000116.4
10V38.8Very low37Very low135 Ų135149.1 Ų149.182%0.81884%0.842SS**SBendtrans-104.3-4.8-173.2-1740000113.6R12V10-R12 PolarHBondContact O-N 3.08Å
11A37Very low36.7Very low100 Ų100148.5 Ų148.583%0.82684%0.842SS**THydrogen-bonded Turntrans-78.619.3179.900000115.3
12R36.6Very low36.1Very low245 Ų245142.4 Ų142.493%0.92582%0.823SS**THydrogen-bonded Turntrans-126.625.2-175.3-85-168.7-166.61755.4116V10V10-R12 PolarHBondContact O-N 3.08Å
13A35.8Very low36.3Very low91 Ų91143.2 Ų143.275%0.75282%0.819SS**  trans-126.883.417200000111.5
14L38.4Very low36.4Very low168 Ų168146.6 Ų146.688%0.8883%0.83SS**  trans-139128.6160.7-88.2169.7000108.5
15P36.9Very low35.9Very low125 Ų125143.9 Ų143.981%0.81282%0.823SS**  trans-95.8156.7148.813.35.8000111.2
16R34.8Very low35.4Very low239 Ų239141 Ų14190%0.90282%0.824SS**  trans-90.2142.5-163.1-70.9165.7164.9173.8-4.4113
17R32.4Very low35.4Very low251 Ų251138.5 Ų138.595%0.94782%0.824SS**  trans40.3122.5140.2-75.1-176.4172.1-178.8-2121
18A31.6Very low35.3Very low108 Ų108138.9 Ų138.989%0.89382%0.821SS**  -172.5141.4123.900000106.2
19G30.3Very low34.9Very low64 Ų64139.9 Ų139.966%0.6682%0.822SS**  cis151.31249.900000105.9
20L35.6Very low34.6Very low173 Ų173146 Ų14691%0.90683%0.834SS**  trans59.3126.2161.2-68.1135.6000119.4
21V32.2Very low34.6Very low138 Ų138147.9 Ų147.984%0.83684%0.838SS**  172.1121.5118.2164.80000111.2
22S32.1Very low34.6Very low110 Ų110146.9 Ų146.977%0.76984%0.837SS**  trans48.9128.5141.9-154.60000123.2
23K35.5Very low34.5Very low186 Ų186140 Ų14081%0.80983%0.832SS**SBendtrans-68.9144.1162.7-74.2170.8170.2175.70111.1
24N38.3Very low34.3Very low161 Ų161146.9 Ų146.986%0.86184%0.839SS**  trans69.289.3162.9-62.1-5.6000118
25A31.4Very low34.1Very low90 Ų90146 Ų14674%0.74484%0.835SS**  -174.6145.8129.700000109.9
26L32Very low33.7Very low170 Ų170148.4 Ų148.489%0.8984%0.84SS**  trans79.595.5173.1-46.3168.4000113.2
27G40.9Very low33.3Very low75 Ų75146.1 Ų146.177%0.77384%0.839SS**  cis81.851.726.600000112.3
28S35.3Very low33.3Very low112 Ų112138 Ų13878%0.78383%0.826SS**  trans167.868.2151.555.60000112.3
29S30.3Very low33.2Very low115 Ų115137.8 Ų137.880%0.80482%0.818SS**  trans-170.536166.539.80000113.2
30F30.6Very low33.1Very low210 Ų210142.2 Ų142.292%0.92183%0.826SS**  trans-117.556172-92.7-84.3000110.9
31I37.4Very low32.9Very low175 Ų175141.6 Ų141.690%0.89782%0.821SS**SBendtrans-139.294.6159.1-57.4178.7000105.5
32G38.2Very low32.7Very low79 Ų79146.4 Ų146.481%0.81482%0.824SS**SBendtrans15529.8-18000000116.4
33A33.9Very low32.8Very low100 Ų100148.4 Ų148.483%0.82683%0.825SS**  trans-166.861.616500000110.3
34R32.6Very low32.9Very low236 Ų236147.1 Ų147.189%0.89182%0.822SS**  trans-136.2129.3163-111.1-178.6162179.3-5.8108.3
35N32.9Very low32.9Very low148 Ų148149.9 Ų149.979%0.79183%0.826SS**  trans86.466.7173.7-54.5-14.4000117.2
36L29.6Very low33.3Very low177 Ų177148.7 Ų148.793%0.92781%0.81SS**  trans-136.563.8139.4-76.1174000109A38L36-A38 PolarHBondContact O-N 3.49Å; L36-A38 VanDerWaalsContact O-N 3.11Å
37H27.1Very low33.8Very low190 Ų190142.1 Ų142.188%0.8878%0.784SS**  trans-71.493.7147.2-95.9-64.8000105.4S39H37-S39 PolarHBondContact O-N 2.93Å
38A30.6Very low34.3Very low82 Ų82144.8 Ų144.868%0.67879%0.785SS**  trans-61.993.8160.400000106.3L36 N40L36-A38 PolarHBondContact O-N 3.49Å; L36-A38 VanDerWaalsContact O-N 3.11Å; A38-N40 VanDerWaalsContact C-N 3.26Å; A38-N40 PolarHBondContact O-N 3.4Å
39S30.2Very low35Very low102 Ų102143.1 Ų143.171%0.71378%0.778SS**  trans-54.7102.2155.544.80000105.7H37 M41H37-S39 PolarHBondContact O-N 2.93Å; S39-M41 PolarHBondContact O-N 3.43Å
40N29.3Very low36.1Very low157 Ų157140 Ų14084%0.8475%0.751SS**  trans-5890.6156.8-86.9-22.7000105.5A38 R42A38-N40 VanDerWaalsContact C-N 3.26Å; A38-N40 PolarHBondContact O-N 3.4Å; N40-R42 PolarHBondContact O-N 3.05Å
41M30.4Very low37.5Very low160 Ų160133.2 Ų133.279%0.78873%0.727SS**  trans-54.796.4151.2-85.7-176.479.900104.3S39 L43S39-M41 PolarHBondContact O-N 3.43Å; M41-L43 PolarHBondContact O-N 2.85Å
42R28.8Very low38.9Very low239 Ų239128.2 Ų128.290%0.90271%0.707SS**  trans-57.289.6149.8-106.1178.7174.2176.6-1104.1N40 Q44N40-R42 PolarHBondContact O-N 3.05Å; R42-Q44 PolarHBondContact O-N 3.11Å
43L34.5Very low40.4Very low153 Ų153127.4 Ų127.480%0.80169%0.689SS**  trans-46.2106.4152-93.6144.5000104.4M41 K45M41-L43 PolarHBondContact O-N 2.85Å; L43-K45 PolarHBondContact O-N 3.42Å
44Q37.2Very low42.1Very low159 Ų159124.4 Ų124.474%0.74366%0.659SS**  trans-46.1140.8166.8-90.2172.7-23.500107R42 T46R42-Q44 PolarHBondContact O-N 3.11Å; Q44-T46 PolarHBondContact O-N 2.98Å; Q44-T46 PolarHBondContact O-OG1 3.5Å
45K36.9Very low44Very low218 Ų218117.3 Ų117.395%0.94864%0.638SS**  trans-70.466.9172.1-147.5-176.5-171-173.30108.1L43L43-K45 PolarHBondContact O-N 3.42Å
46T41.1Very low45.8Very low66 Ų66116.1 Ų116.141%0.40563%0.628SS.*  trans-84.1133.3159.4-290000104.4Q44 T48 E50Q44-T46 PolarHBondContact O-N 2.98Å; Q44-T46 PolarHBondContact O-OG1 3.5Å; T46-T48 PolarHBondContact O-N 3.03Å; T46-E50 WeakPolarHBondContact CG2-OE2 3.3Å
47G43.1Very low47.7Very low32 Ų32111.8 Ų111.833%0.3360%0.602SS.*  trans-57.1130.7-167.900000111.1A49 E50G47-A49 PolarHBondContact O-N 3.41Å; G47-A49 VanDerWaalsContact O-N 3.08Å; G47-E50 PolarHBondContact N-OE2 2.91Å; G47-E50 WeakPolarHBondContact O-CB 3.32Å; G47-E50 PolarHBondContact O-N 3.28Å
48T49.6Very low49.7Very low130 Ų130110.7 Ų110.780%0.79859%0.591SS**Hα-helixtrans-58.7-20.2177.628.50000113.3T46 S52T46-T48 PolarHBondContact O-N 3.03Å; T48-S52 PolarHBondContact O-OG 2.92Å
49A50.4Low51.9Low78 Ų78113.7 Ų113.765%0.64559%0.594SS**Hα-helixtrans-78.6-36.7173.400000113.4G47 V51 S52G47-A49 PolarHBondContact O-N 3.41Å; G47-A49 VanDerWaalsContact O-N 3.08Å; A49-V51 VanDerWaalsContact C-N 3.32Å; A49-V51 PolarHBondContact O-N 3.09Å; A49-S52 PolarHBondContact O-N 3.28Å
50E54.1Low54.1Low49 Ų49115.1 Ų115.123%0.22959%0.593CS.*Hα-helixtrans-66.1-33.9-175.3-59.7171.716000112.1T46 G47 I54T46-E50 WeakPolarHBondContact CG2-OE2 3.3Å; G47-E50 PolarHBondContact N-OE2 2.91Å; G47-E50 WeakPolarHBondContact O-CB 3.32Å; G47-E50 PolarHBondContact O-N 3.28Å; E50-I54 WeakPolarHBondContact O-CD1 3.47Å
51V60.6Low55.5Low68 Ų68110.4 Ų110.441%0.41258%0.582SS.*Hα-helixtrans-80.7-25.9179.3-178.10000111.3A49 L55A49-V51 VanDerWaalsContact C-N 3.32Å; A49-V51 PolarHBondContact O-N 3.09Å; V51-L55 HydrophobicContact CG1-CD1 3.53Å; V51-L55 HydrophobicContact CG1-CG 3.85Å; V51-L55 VanDerWaalsContact O-CB 3.28Å; V51-L55 WeakPolarHBondContact O-CB 3.48Å; V51-L55 WeakPolarHBondContact O-CG 3.44Å; V51-L55 PolarHBondContact O-N 3.49Å
52S66.2Low56.7Low70 Ų70105.8 Ų105.849%0.4957%0.568SS.*Hα-helixtrans-71-43.6-172.1-64.60000112.6T48 A49 L55 E56T48-S52 PolarHBondContact O-OG 2.92Å; A49-S52 PolarHBondContact O-N 3.28Å; S52-L55 PolarHBondContact O-N 3.25Å; S52-E56 VanDerWaalsContact O-CB 3.29Å; S52-E56 WeakPolarHBondContact O-CB 3.43Å; S52-E56 PolarHBondContact O-N 3.01Å
53S68.6Low57.7Low62 Ų62101.8 Ų101.843%0.43457%0.565SS.*Hα-helixtrans-68.3-39.2178.755.70000112.9E56 E57S53-E56 PolarHBondContact O-N 3.38Å; S53-E57 PolarHBondContact O-N 3.33Å
54I70.3Confident58.8Low37 Ų3797.8 Ų97.819%0.1955%0.547CS..Hα-helixtrans-68-40.6177.1-59.8173.1000110.7E50 R58 L75E50-I54 WeakPolarHBondContact O-CD1 3.47Å; I54-R58 WeakPolarHBondContact O-CG 3.36Å; I54-R58 PolarHBondContact O-N 3.46Å; I54-L75 HydrophobicContact CD1-CD2 3.78Å
55L71.7Confident59.6Low87 Ų8792.9 Ų92.946%0.45553%0.53SS..Hα-helixtrans-67.1-39.1175.1-73.4179.3000111.5V51 S52 R58 I59V51-L55 HydrophobicContact CG1-CD1 3.53Å; V51-L55 HydrophobicContact CG1-CG 3.85Å; V51-L55 VanDerWaalsContact O-CB 3.28Å; V51-L55 WeakPolarHBondContact O-CB 3.48Å; V51-L55 WeakPolarHBondContact O-CG 3.44Å; V51-L55 PolarHBondContact O-N 3.49Å; S52-L55 PolarHBondContact O-N 3.25Å; L55-R58 PolarHBondContact O-N 3.43Å; L55-I59 WeakPolarHBondContact O-CB 3.34Å; L55-I59 WeakPolarHBondContact O-CD1 3.39Å; L55-I59 WeakPolarHBondContact O-CG1 3.45Å; L55-I59 PolarHBondContact O-N 3.43Å
56E72.6Confident60.4Low123 Ų12388 Ų8858%0.57552%0.519SS*.Hα-helixtrans-60.5-47.9174.8-172.2174.3-17100111.2S52 S53 R58 I59 L60S52-E56 VanDerWaalsContact O-CB 3.29Å; S52-E56 WeakPolarHBondContact O-CB 3.43Å; S52-E56 PolarHBondContact O-N 3.01Å; S53-E56 PolarHBondContact O-N 3.38Å; E56-R58 VanDerWaalsContact C-N 3.32Å; E56-R58 PolarHBondContact O-N 3.02Å; E56-I59 PolarHBondContact O-N 2.95Å; E56-I59 VanDerWaalsContact O-N 3.17Å; E56-L60 HydrophobicContact CG-CD1 3.99Å; E56-L60 WeakPolarHBondContact O-CB 3.36Å; E56-L60 VanDerWaalsContact O-CG 3.26Å; E56-L60 WeakPolarHBondContact O-CG 3.32Å; E56-L60 PolarHBondContact O-N 3.31Å
57E69.6Low61.5Low85 Ų8590 Ų9040%0.39753%0.527SS..Hα-helixtrans-59.1-39.8174.5-77.3-175.1167.700112.4S53 L60 G61 R73S53-E57 PolarHBondContact O-N 3.33Å; E57-L60 PolarHBondContact O-N 3.47Å; E57-G61 PolarHBondContact O-N 3.04Å; E57-R73 IonicContact OE1-CZ 2.67Å; E57-R73 IonicContact OE1-NH1 2.65Å; E57-R73 PolarHBondContact OE1-NH1 3.28Å; E57-R73 IonicContact OE1-NH2 3.53Å; E57-R73 IonicContact OE2-NH1 2.76Å
58R68Low62.9Low168 Ų16890.2 Ų90.263%0.63452%0.52SS*.Hα-helixtrans-67.5-36.9175.5-77.9-171-176.4-172.74.3113.1I54 L55 E56 G61I54-R58 WeakPolarHBondContact O-CG 3.36Å; I54-R58 PolarHBondContact O-N 3.46Å; L55-R58 PolarHBondContact O-N 3.43Å; E56-R58 VanDerWaalsContact C-N 3.32Å; E56-R58 PolarHBondContact O-N 3.02Å; R58-G61 PolarHBondContact O-N 3.01Å
59I76.8Confident64.3Low145 Ų14588 Ų8874%0.74450%0.501SS*.Hα-helixtrans-71-34.7178-70.2163.9000110.7L55 E56 G61L55-I59 WeakPolarHBondContact O-CB 3.34Å; L55-I59 WeakPolarHBondContact O-CD1 3.39Å; L55-I59 WeakPolarHBondContact O-CG1 3.45Å; L55-I59 PolarHBondContact O-N 3.43Å; E56-I59 PolarHBondContact O-N 2.95Å; E56-I59 VanDerWaalsContact O-N 3.17Å; I59-G61 PolarHBondContact O-N 2.87Å
60L75.9Confident66.1Low131 Ų13188.2 Ų88.269%0.68649%0.489SS*.THydrogen-bonded Turntrans-71.9-5.2177-70.6168.4000113.7E56 E57 A62E56-L60 HydrophobicContact CG-CD1 3.99Å; E56-L60 WeakPolarHBondContact O-CB 3.36Å; E56-L60 VanDerWaalsContact O-CG 3.26Å; E56-L60 WeakPolarHBondContact O-CG 3.32Å; E56-L60 PolarHBondContact O-N 3.31Å; E57-L60 PolarHBondContact O-N 3.47Å; L60-A62 VanDerWaalsContact C-N 3.33Å; L60-A62 PolarHBondContact O-N 3.35Å
61G58.9Low67.8Low59 Ų5987.1 Ų87.161%0.60849%0.485SS*.THydrogen-bonded Turntrans7121.7167.500000115.2E57 R58 I59 D63E57-G61 PolarHBondContact O-N 3.04Å; R58-G61 PolarHBondContact O-N 3.01Å; I59-G61 PolarHBondContact O-N 2.87Å; G61-D63 PolarHBondContact O-N 3.39Å
62A57.1Low69.3Low62 Ų6283.9 Ų83.951%0.51247%0.466SS..  trans-72.1113.5174.700000110.2L60 T64L60-A62 VanDerWaalsContact C-N 3.33Å; L60-A62 PolarHBondContact O-N 3.35Å; A62-T64 HydrophobicContact CB-CG2 4.35Å; A62-T64 PolarHBondContact O-N 3.18Å; A62-T64 PolarHBondContact O-OG1 3.02Å
63D49.7Very low70.6Confident156 Ų15686.4 Ų86.483%0.83446%0.464SS*.  trans-67.575.1169.1-95-34.9000110.4G61 S65G61-D63 PolarHBondContact O-N 3.39Å; D63-S65 VanDerWaalsContact C-N 3.34Å
64T56.4Low71.8Confident69 Ų6983.6 Ų83.642%0.42344%0.444SS..  trans-96.818171.545.70000112.2A62 V66 D67 L68A62-T64 HydrophobicContact CB-CG2 4.35Å; A62-T64 PolarHBondContact O-N 3.18Å; A62-T64 PolarHBondContact O-OG1 3.02Å; T64-V66 VanDerWaalsContact C-N 3.32Å; T64-V66 PolarHBondContact O-N 3.31Å; T64-D67 PolarHBondContact O-N 2.86Å; T64-L68 PolarHBondContact O-N 2.86Å
65S53.8Low72.8Confident56 Ų5683.3 Ų83.339%0.39244%0.443SS..THydrogen-bonded Turntrans-60.6-36.5-173.6580000113.6D63D63-S65 VanDerWaalsContact C-N 3.34Å
66V53.1Low73.8Confident116 Ų11680.9 Ų80.970%0.70343%0.433SS*.THydrogen-bonded Turntrans-72-34.2-179.6-1770000112.2T64T64-V66 VanDerWaalsContact C-N 3.32Å; T64-V66 PolarHBondContact O-N 3.31Å
67D66.1Low74.7Confident106 Ų10677.2 Ų77.257%0.56742%0.417SS*.Hα-helixtrans-75.2-28.7-177.4-138.42000111.5T64 E69 T71T64-D67 PolarHBondContact O-N 2.86Å; D67-E69 VanDerWaalsContact C-N 3.31Å; D67-E69 PolarHBondContact O-N 2.94Å; D67-T71 WeakPolarHBondContact O-CA 3.39Å; D67-T71 WeakPolarHBondContact O-CB 3.39Å; D67-T71 PolarHBondContact O-N 3.41Å; D67-T71 PolarHBondContact O-OG1 3.28Å
68L71.3Confident75.7Confident37 Ų3774.9 Ų74.919%0.19442%0.416CS..Hα-helixtrans-77.1-9.1179.3-67.7173.9000114.6T64 T71 G86 L87 R88T64-L68 PolarHBondContact O-N 2.86Å; L68-T71 CarbonylContact C-O 3.59Å; L68-T71 WeakPolarHBondContact CA-O 3.38Å; L68-G86 CarbonylContact O-C 3.58Å; L68-L87 PolarHBondContact O-N 3.45Å; L68-R88 PolarHBondContact O-N 3.36Å
69E80Confident76.6Confident83 Ų8372.7 Ų72.739%0.38842%0.417SS..Hα-helixtrans-72.8-45.1176.6-71.6-168-18000111.9D67 L87 R88 N89D67-E69 VanDerWaalsContact C-N 3.31Å; D67-E69 PolarHBondContact O-N 2.94Å; E69-L87 CarbonylContact O-C 3.56Å; E69-R88 PolarHBondContact O-N 3.19Å; E69-N89 PolarHBondContact O-N 2.7Å; E69-N89 PolarHBondContact OE2-ND2 2.98Å
70E87.2Confident77.2Confident84 Ų8466.5 Ų66.539%0.39339%0.388SS..Hα-helixtrans-108.4-20.5-173.4-64.5-66.2130.900112.9L87 N89 R133E70-L87 WeakPolarHBondContact O-CD2 3.41Å; E70-N89 PolarHBondContact OE1-ND2 2.95Å; E70-R133 WeakPolarHBondContact O-CG 3.27Å; E70-R133 PolarHBondContact O-N 2.94Å; E70-R133 IonicContact OE1-CZ 3.15Å; E70-R133 IonicContact OE1-NH1 2.87Å; E70-R133 PolarHBondContact OE1-NH1 3.29Å; E70-R133 WeakPolarHBondContact OE2-CD 3.24Å; E70-R133 VanDerWaalsContact OE2-CG 3.28Å; E70-R133 WeakPolarHBondContact OE2-CG 3.38Å; E70-R133 IonicContact OE2-CZ 2.72Å; E70-R133 IonicContact OE2-NE 3.87Å; E70-R133 IonicContact OE2-NH1 3.59Å; E70-R133 PolarHBondContact OE2-NH1 3.03Å
71T91.1Very high78Confident26 Ų2661.1 Ų61.116%0.1636%0.36CS..EExtended strand (participates in β ladder)trans-118.2158.5175.878.20000111.5D67 L68 L87 V131 K132D67-T71 WeakPolarHBondContact O-CA 3.39Å; D67-T71 WeakPolarHBondContact O-CB 3.39Å; D67-T71 PolarHBondContact O-N 3.41Å; D67-T71 PolarHBondContact O-OG1 3.28Å; L68-T71 CarbonylContact C-O 3.59Å; L68-T71 WeakPolarHBondContact CA-O 3.38Å; T71-L87 PolarHBondContact O-N 3.22Å; T71-V131 CarbonylContact C-O 3.56Å; T71-V131 VanDerWaalsContact CA-O 3.32Å; T71-V131 WeakPolarHBondContact CA-O 3.45Å; T71-K132 HydrophobicContact CG2-CG 4.05Å
72G91.4Very high79.7Confident0 Ų058.3 Ų58.30%033%0.331CS..EExtended strand (participates in β ladder)trans-143.1170.717400000111.8H85 I130 V131G72-H85 CarbonylContact C-O 3.59Å; G72-H85 WeakPolarHBondContact CA-O 3.36Å; G72-I130 CarbonylContact O-C 3.59Å; G72-I130 WeakPolarHBondContact O-CA 3.5Å; G72-V131 PolarHBondContact N-O 3.5Å; G72-V131 PolarHBondContact O-N 3.47Å
73R92.3Very high81.4Confident123 Ų12359 Ų5946%0.46432%0.321SS..EExtended strand (participates in β ladder)trans-117.8136.5175.8-67.6-176-178.71742.5110.2E57 L75 V84 H85 D129E57-R73 IonicContact OE1-CZ 2.67Å; E57-R73 IonicContact OE1-NH1 2.65Å; E57-R73 PolarHBondContact OE1-NH1 3.28Å; E57-R73 IonicContact OE1-NH2 3.53Å; E57-R73 IonicContact OE2-NH1 2.76Å; R73-L75 PolarHBondContact O-N 3.27Å; R73-V84 CarbonylContact O-C 3.56Å; R73-V84 WeakPolarHBondContact O-CA 3.36Å; R73-H85 PolarHBondContact N-O 2.9Å; R73-H85 PolarHBondContact O-N 3.33Å; R73-D129 CarbonylContact C-O 3.57Å; R73-D129 WeakPolarHBondContact CA-O 3.3Å
74V94.4Very high83.5Confident2 Ų251.5 Ų51.51%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-66.2118.9174.9178.80000109.1I77 R83 V84 F98 I125 G128 D129 V131V74-I77 HydrophobicContact CG1-CB 4.3Å; V74-R83 CarbonylContact C-O 3.59Å; V74-V84 HydrophobicContact CG2-CG2 4.47Å; V74-F98 HydrophobicContact CG2-CD1 4.06Å; V74-F98 HydrophobicContact CG2-CE1 3.91Å; V74-I125 HydrophobicContact CG1-CG2 4.32Å; V74-I125 HydrophobicContact CG2-CG2 4.01Å; V74-G128 PolarHBondContact O-N 3.48Å; V74-D129 HydrophobicContact CB-CB 4.46Å; V74-D129 HydrophobicContact CG2-CB 4.03Å; V74-D129 WeakPolarHBondContact CG2-O 3.32Å; V74-D129 PolarHBondContact N-O 3.19Å; V74-V131 HydrophobicContact CG2-CG2 3.56Å
75L91.8Very high85.2Confident32 Ų3250 Ų5017%0.16827%0.269CS..EExtended strand (participates in β ladder)trans-80.8-44.2172.4-62.8179000111.4I54 R73 R83 H85 N113 E127I54-L75 HydrophobicContact CD1-CD2 3.78Å; R73-L75 PolarHBondContact O-N 3.27Å; L75-R83 HydrophobicContact CB-CB 4.29Å; L75-R83 WeakPolarHBondContact CB-O 3.37Å; L75-R83 PolarHBondContact N-O 3.41Å; L75-H85 HydrophobicContact CD1-CB 3.96Å; L75-H85 HydrophobicContact CD2-CB 3.71Å; L75-H85 HydrophobicContact CG-CB 3.81Å; L75-N113 HydrophobicContact CD1-CB 4.06Å; L75-E127 WeakPolarHBondContact O-CG 3.47Å
76S91.8Very high87Confident35 Ų3548 Ų4825%0.24526%0.257CS..EExtended strand (participates in β ladder)trans-156.8152.8178.146.60000110.1A82 R83S76-A82 CarbonylContact O-C 3.37Å; S76-A82 WeakPolarHBondContact O-CA 3.43Å; S76-R83 PolarHBondContact O-N 3.46Å
77I92.9Very high88.8Confident46 Ų4642.5 Ų42.524%0.23622%0.223CC..EExtended strand (participates in β ladder)trans-136.4131.7178176.860000108.3V74 I81 A82 V118 D122 I125V74-I77 HydrophobicContact CG1-CB 4.3Å; I77-I81 WeakPolarHBondContact CA-O 3.22Å; I77-I81 WeakPolarHBondContact CD1-O 3.35Å; I77-A82 HydrophobicContact CD1-CB 4.02Å; I77-V118 HydrophobicContact CD1-CG2 4Å; I77-D122 HydrophobicContact CD1-CB 3.96Å; I77-D122 HydrophobicContact CG1-CB 4.09Å; I77-I125 HydrophobicContact CB-CG2 4.35Å; I77-I125 HydrophobicContact CG1-CB 4.25Å; I77-I125 HydrophobicContact CG1-CG2 4.24Å; I77-I125 HydrophobicContact CG2-CG2 4.47Å
78G89.9Confident89.8Confident36 Ų3644.6 Ų44.637%0.37122%0.223SC..EExtended strand (participates in β ladder)trans-166.7140.817500000111.6G80 I81G78-G80 PolarHBondContact O-N 3.3Å; G78-G80 VanDerWaalsContact O-N 3.13Å; G78-I81 PolarHBondContact N-O 3.36Å; G78-I81 PolarHBondContact O-N 2.97Å
79D87.5Confident90.8Very high123 Ų12346.2 Ų46.266%0.65823%0.232SC*.THydrogen-bonded Turntrans50.537.3178.1-58.4-47000113.5D122 L327D79-D122 PolarHBondContact N-OD2 2.81Å; D79-L327 HydrophobicContact CB-CD1 3.85Å; D79-L327 HydrophobicContact CB-CD2 3.76Å; D79-L327 HydrophobicContact CB-CG 4.45Å; D79-L327 WeakPolarHBondContact O-CD1 3.21Å
80G89.2Confident91.4Very high14 Ų1442.9 Ų42.914%0.14422%0.217CC..THydrogen-bonded Turntrans77.811.8-178.900000116.2G78 V118 D122G78-G80 PolarHBondContact O-N 3.3Å; G78-G80 VanDerWaalsContact O-N 3.13Å; G80-V118 PolarHBondContact O-N 3.41Å; G80-D122 PolarHBondContact N-OD2 3.29Å
81I92.5Very high91.7Very high19 Ų1943.5 Ų43.510%0.09722%0.22CC..EExtended strand (participates in β ladder)trans-118.3122.6175.3-56.1-160000110.7I77 G78 V117 L327 L328I77-I81 WeakPolarHBondContact CA-O 3.22Å; I77-I81 WeakPolarHBondContact CD1-O 3.35Å; G78-I81 PolarHBondContact N-O 3.36Å; G78-I81 PolarHBondContact O-N 2.97Å; I81-V117 HydrophobicContact CD1-CG2 4.37Å; I81-V117 HydrophobicContact CG1-CG2 4.41Å; I81-L327 HydrophobicContact CD1-CB 3.29Å; I81-L327 HydrophobicContact CD1-CD1 4.4Å; I81-L327 HydrophobicContact CD1-CG 4.49Å; I81-L327 HydrophobicContact CG1-CB 4.08Å; I81-L327 HydrophobicContact CG1-CD1 4.48Å; I81-L328 HydrophobicContact CD1-CD2 3.71Å; I81-L328 HydrophobicContact CD1-CG 3.64Å; I81-L328 HydrophobicContact CG2-CD2 3.96Å
82A94Very high91.7Very high0 Ų045 Ų450%024%0.235CC..EExtended strand (participates in β ladder)trans-98.9135.6171.700000110.3S76 I77 V84 F98 V116 V118S76-A82 CarbonylContact O-C 3.37Å; S76-A82 WeakPolarHBondContact O-CA 3.43Å; I77-A82 HydrophobicContact CD1-CB 4.02Å; A82-V84 HydrophobicContact CB-CG2 4.22Å; A82-F98 HydrophobicContact CB-CE1 3.76Å; A82-F98 HydrophobicContact CB-CZ 3.79Å; A82-V116 HydrophobicContact CB-CB 4.37Å; A82-V116 PolarHBondContact N-O 2.94Å; A82-V116 PolarHBondContact O-N 3.41Å; A82-V118 HydrophobicContact CB-CG2 4.37Å
83R93.5Very high91.7Very high75 Ų7547.9 Ų47.928%0.28325%0.249SC..EExtended strand (participates in β ladder)trans-97.7124.5163.7-67.4-177.9174.9-164.5-12.3108.1V74 L75 S76V74-R83 CarbonylContact C-O 3.59Å; L75-R83 HydrophobicContact CB-CB 4.29Å; L75-R83 WeakPolarHBondContact CB-O 3.37Å; L75-R83 PolarHBondContact N-O 3.41Å; S76-R83 PolarHBondContact O-N 3.46Å
84V93.9Very high91.8Very high0 Ų042 Ų420%023%0.226CC..EExtended strand (participates in β ladder)trans-120.1127.9-173.4-175.20000109.4R73 V74 A82 L87 N113 V114 V116 V131R73-V84 CarbonylContact O-C 3.56Å; R73-V84 WeakPolarHBondContact O-CA 3.36Å; V74-V84 HydrophobicContact CG2-CG2 4.47Å; A82-V84 HydrophobicContact CB-CG2 4.22Å; V84-L87 HydrophobicContact CB-CD1 4.22Å; V84-L87 HydrophobicContact CG1-CD1 3.68Å; V84-L87 HydrophobicContact CG1-CG 4.09Å; V84-N113 CarbonylContact O-C 3.5Å; V84-N113 VanDerWaalsContact O-CA 3.3Å; V84-N113 WeakPolarHBondContact O-CA 3.39Å; V84-V114 PolarHBondContact N-O 3.45Å; V84-V114 PolarHBondContact O-N 2.73Å; V84-V116 HydrophobicContact CB-CG2 4.49Å; V84-V116 HydrophobicContact CG2-CB 4.32Å; V84-V116 HydrophobicContact CG2-CG2 3.84Å; V84-V131 HydrophobicContact CG1-CB 3.97Å; V84-V131 HydrophobicContact CG1-CG2 3.96Å; V84-V131 HydrophobicContact CG2-CB 4.48Å; V84-V131 HydrophobicContact CG2-CG2 3.89Å
85H92.1Very high91.8Very high37 Ų3742.5 Ų42.517%0.17123%0.229CC..EExtended strand (participates in β ladder)trans-91.2140.9171.2-173.168.1000110.6G72 R73 L75 D112G72-H85 CarbonylContact C-O 3.59Å; G72-H85 WeakPolarHBondContact CA-O 3.36Å; R73-H85 PolarHBondContact N-O 2.9Å; R73-H85 PolarHBondContact O-N 3.33Å; L75-H85 HydrophobicContact CD1-CB 3.96Å; L75-H85 HydrophobicContact CD2-CB 3.71Å; L75-H85 HydrophobicContact CG-CB 3.81Å; H85-D112 PolarHBondContact ND1-O 2.98Å
86G90.3Very high91.9Very high13 Ų1341 Ų4113%0.13422%0.221CC..EExtended strand (participates in β ladder)trans98.1-142.7-171.400000111L68 R88L68-G86 CarbonylContact O-C 3.58Å; G86-R88 PolarHBondContact O-N 3.48Å
87L90.8Very high92.1Very high1 Ų143.5 Ų43.51%0.00523%0.229CC..  trans51.340.6-178.2-64-179.6000113.2L68 E69 E70 T71 V84 N89 V90 V96 V114 V131 R133L68-L87 PolarHBondContact O-N 3.45Å; E69-L87 CarbonylContact O-C 3.56Å; E70-L87 WeakPolarHBondContact O-CD2 3.41Å; T71-L87 PolarHBondContact O-N 3.22Å; V84-L87 HydrophobicContact CB-CD1 4.22Å; V84-L87 HydrophobicContact CG1-CD1 3.68Å; V84-L87 HydrophobicContact CG1-CG 4.09Å; L87-N89 PolarHBondContact O-N 3.02Å; L87-N89 VanDerWaalsContact O-N 3.12Å; L87-V90 HydrophobicContact CB-CB 4.04Å; L87-V90 HydrophobicContact CB-CG1 4.02Å; L87-V90 WeakPolarHBondContact O-CB 3.37Å; L87-V90 WeakPolarHBondContact O-CG1 3.3Å; L87-V90 PolarHBondContact O-N 3.27Å; L87-V96 HydrophobicContact CD1-CG1 4.3Å; L87-V114 HydrophobicContact CB-CG2 4.32Å; L87-V131 HydrophobicContact CD1-CB 4.49Å; L87-V131 HydrophobicContact CD1-CG1 4.09Å; L87-R133 HydrophobicContact CD2-CB 4.26Å
88R88.2Confident92.2Very high151 Ų15141.5 Ų41.557%0.5722%0.218SC*.THydrogen-bonded Turntrans-58.7-30.9-171.8-65.2-179.9177.1176.51.4113.8L68 E69 G86L68-R88 PolarHBondContact O-N 3.36Å; E69-R88 PolarHBondContact O-N 3.19Å; G86-R88 PolarHBondContact O-N 3.48Å
89N91.2Very high92.3Very high71 Ų7143.3 Ų43.338%0.3823%0.226SC..THydrogen-bonded Turntrans-93.64.5-178.4-66.3-20.8000113.6E69 E70 L87 R133E69-N89 PolarHBondContact O-N 2.7Å; E69-N89 PolarHBondContact OE2-ND2 2.98Å; E70-N89 PolarHBondContact OE1-ND2 2.95Å; L87-N89 PolarHBondContact O-N 3.02Å; L87-N89 VanDerWaalsContact O-N 3.12Å; N89-R133 PolarHBondContact O-NH1 2.83Å; N89-R133 PolarHBondContact O-NH2 3.27Å
90V93.8Very high92.4Very high12 Ų1239.9 Ų39.97%0.07321%0.211CC..PPolyproline II helixtrans-66.9136.1-179.378.50000111L87 E94 V96 L109 V114L87-V90 HydrophobicContact CB-CB 4.04Å; L87-V90 HydrophobicContact CB-CG1 4.02Å; L87-V90 WeakPolarHBondContact O-CB 3.37Å; L87-V90 WeakPolarHBondContact O-CG1 3.3Å; L87-V90 PolarHBondContact O-N 3.27Å; V90-E94 HydrophobicContact CG2-CB 3.87Å; V90-E94 HydrophobicContact CG2-CG 4.34Å; V90-V96 HydrophobicContact CG2-CG1 4.17Å; V90-L109 HydrophobicContact CG1-CD2 3.75Å; V90-V114 HydrophobicContact CG1-CG1 4.11Å; V90-V114 HydrophobicContact CG1-CG2 3.86Å
91Q93Very high92.5Very high98 Ų9841.2 Ų41.246%0.45823%0.225SC..PPolyproline II helixtrans-86.8161.8176-60.2-178.3-7.100110.4E94 S106Q91-E94 HydrophobicContact CB-CB 4.2Å; Q91-E94 WeakPolarHBondContact CB-OE2 3.45Å; Q91-E94 PolarHBondContact N-OE2 3.06Å; Q91-E94 VanDerWaalsContact O-CB 3.28Å; Q91-E94 WeakPolarHBondContact O-CB 3.31Å; Q91-E94 PolarHBondContact O-N 2.84Å; Q91-S106 PolarHBondContact O-OG 3.41Å
92A91.3Very high92.5Very high57 Ų5741.8 Ų41.847%0.47123%0.228SC..THydrogen-bonded Turntrans-68.714117000000109.9E94 L109A92-E94 PolarHBondContact O-N 2.64Å; A92-L109 HydrophobicContact CB-CD1 4.26Å
93E91.3Very high92.5Very high60 Ų6045.7 Ų45.728%0.2825%0.245SC..THydrogen-bonded Turntrans62.619.7-175.4-50.1-177160.700113.7M105 S106 I137 V138 R347E93-M105 HydrophobicContact CB-SD 4.41Å; E93-S106 VanDerWaalsContact CA-O 3.3Å; E93-S106 WeakPolarHBondContact CA-O 3.44Å; E93-S106 PolarHBondContact N-O 3.25Å; E93-S106 PolarHBondContact N-OG 3.17Å; E93-I137 HydrophobicContact CB-CG2 4.39Å; E93-V138 PolarHBondContact O-N 3.37Å; E93-V138 VanDerWaalsContact O-N 3.15Å; E93-R347 IonicContact OE1-NH1 3.69Å; E93-R347 PolarHBondContact OE1-NH1 3.25Å
94E94.3Very high92.5Very high0 Ų042.1 Ų42.10%023%0.232CC..EExtended strand (participates in β ladder)trans-78.6141.2174.5-162.2177.9148.900110.9V90 Q91 A92 M105 S106 R133 G135 A136V90-E94 HydrophobicContact CG2-CB 3.87Å; V90-E94 HydrophobicContact CG2-CG 4.34Å; Q91-E94 HydrophobicContact CB-CB 4.2Å; Q91-E94 WeakPolarHBondContact CB-OE2 3.45Å; Q91-E94 PolarHBondContact N-OE2 3.06Å; Q91-E94 VanDerWaalsContact O-CB 3.28Å; Q91-E94 WeakPolarHBondContact O-CB 3.31Å; Q91-E94 PolarHBondContact O-N 2.84Å; A92-E94 PolarHBondContact O-N 2.64Å; E94-M105 WeakPolarHBondContact O-CA 3.32Å; E94-S106 PolarHBondContact N-OG 3.34Å; E94-S106 PolarHBondContact O-N 2.95Å; E94-S106 PolarHBondContact O-OG 3.15Å; E94-R133 WeakPolarHBondContact OE1-CB 3.48Å; E94-R133 IonicContact OE1-CZ 3.59Å; E94-R133 IonicContact OE1-NE 3.61Å; E94-R133 PolarHBondContact OE1-NE 2.99Å; E94-R133 IonicContact OE1-NH2 3.63Å; E94-R133 PolarHBondContact OE1-NH2 3.2Å; E94-R133 IonicContact OE2-CZ 3.35Å; E94-R133 IonicContact OE2-NE 3.49Å; E94-R133 PolarHBondContact OE2-NE 3.34Å; E94-R133 IonicContact OE2-NH2 2.97Å; E94-R133 PolarHBondContact OE2-NH2 3.37Å; E94-G135 WeakPolarHBondContact OE1-CA 3.21Å; E94-G135 PolarHBondContact OE1-N 2.87Å; E94-A136 WeakPolarHBondContact CG-O 3.46Å
95M93.6Very high92.5Very high13 Ų1342.4 Ų42.46%0.06423%0.233CC..EExtended strand (participates in β ladder)trans-77.7137.8173.4-172.1174.1-66.400110.1K103 G104 T134 A136 V138 L154M95-K103 HydrophobicContact SD-CD 3.75Å; M95-G104 WeakPolarHBondContact CA-O 3.37Å; M95-T134 HydrophobicContact CB-CG2 4.24Å; M95-T134 WeakPolarHBondContact CB-OG1 3.31Å; M95-T134 HydrophobicContact CG-CG2 4.09Å; M95-T134 WeakPolarHBondContact O-CB 3.49Å; M95-T134 WeakPolarHBondContact O-CG2 3.34Å; M95-T134 PolarHBondContact O-N 2.87Å; M95-T134 PolarHBondContact O-OG1 3.49Å; M95-A136 PolarHBondContact N-O 3.39Å; M95-V138 HydrophobicContact CB-CG2 4.22Å; M95-V138 HydrophobicContact CE-CB 4.28Å; M95-V138 HydrophobicContact CE-CG1 3.91Å; M95-V138 HydrophobicContact CE-CG2 4.05Å; M95-L154 HydrophobicContact CE-CD2 4.12Å
96V95.1Very high92.6Very high0 Ų040.6 Ų40.60%023%0.225CC..EExtended strand (participates in β ladder)trans-125.8156.6174.4-57.30000109.9L87 V90 F98 K103 G104 V116 V131 K132L87-V96 HydrophobicContact CD1-CG1 4.3Å; V90-V96 HydrophobicContact CG2-CG1 4.17Å; V96-F98 HydrophobicContact CG2-CE2 4.39Å; V96-K103 CarbonylContact O-C 3.57Å; V96-K103 WeakPolarHBondContact O-CA 3.42Å; V96-G104 PolarHBondContact N-O 3.16Å; V96-G104 PolarHBondContact O-N 3.06Å; V96-V116 HydrophobicContact CG2-CB 4.38Å; V96-V116 HydrophobicContact CG2-CG1 3.36Å; V96-V116 HydrophobicContact CG2-CG2 4.08Å; V96-V131 HydrophobicContact CB-CG1 3.8Å; V96-V131 HydrophobicContact CG2-CG1 3.87Å; V96-K132 CarbonylContact C-O 3.58Å; V96-K132 WeakPolarHBondContact CA-O 3.24Å
97E95.2Very high92.6Very high87 Ų8741.2 Ų41.241%0.40723%0.225SC..EExtended strand (participates in β ladder)trans-123.5128.3-179.9-173.2170.4-175.300109.8V131 K132E97-V131 WeakPolarHBondContact O-CA 3.14Å; E97-K132 PolarHBondContact N-O 3.42Å; E97-K132 PolarHBondContact O-N 3.44Å
98F95.3Very high92.5Very high4 Ų442.4 Ų42.42%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-84.1156.4175.6-65.4-93.4000109.9V74 A82 V96 S100 G101 L102 V116 V118 I125 V131V74-F98 HydrophobicContact CG2-CD1 4.06Å; V74-F98 HydrophobicContact CG2-CE1 3.91Å; A82-F98 HydrophobicContact CB-CE1 3.76Å; A82-F98 HydrophobicContact CB-CZ 3.79Å; V96-F98 HydrophobicContact CG2-CE2 4.39Å; F98-S100 PolarHBondContact O-N 3.06Å; F98-G101 PolarHBondContact O-N 3.04Å; F98-L102 HydrophobicContact CD2-CB 4.37Å; F98-L102 WeakPolarHBondContact CD2-O 3.13Å; F98-L102 PolarHBondContact N-O 3.37Å; F98-V116 HydrophobicContact CE2-CG1 4.01Å; F98-V116 HydrophobicContact CZ-CB 4.37Å; F98-V116 HydrophobicContact CZ-CG1 3.7Å; F98-V118 HydrophobicContact CE2-CG2 4.03Å; F98-V118 HydrophobicContact CZ-CG2 3.87Å; F98-I125 HydrophobicContact CB-CD1 4.41Å; F98-I125 HydrophobicContact CB-CG1 4.33Å; F98-I125 HydrophobicContact CD1-CD1 3.7Å; F98-I125 HydrophobicContact CD1-CG1 4.02Å; F98-I125 HydrophobicContact CD1-CG2 3.89Å; F98-I125 HydrophobicContact CD2-CD1 3.85Å; F98-I125 HydrophobicContact CE1-CD1 3.85Å; F98-I125 HydrophobicContact CE1-CG2 4.11Å; F98-I125 HydrophobicContact CE2-CD1 3.99Å; F98-I125 HydrophobicContact CG-CD1 3.72Å; F98-I125 HydrophobicContact CG-CG1 4.09Å; F98-I125 HydrophobicContact CZ-CD1 3.99Å; F98-V131 HydrophobicContact CD1-CG2 3.56Å; F98-V131 HydrophobicContact CE1-CG1 4.49Å; F98-V131 HydrophobicContact CE1-CG2 3.65Å; F98-V131 HydrophobicContact CG-CG2 4.43Å
99S92.1Very high92.7Very high75 Ų7539.4 Ų39.452%0.52423%0.226SC..THydrogen-bonded Turntrans-52.4-26.4174.156.10000114G101 D129 I130S99-G101 PolarHBondContact O-N 3.17Å; S99-D129 PolarHBondContact OG-OD1 3.22Å; S99-I130 PolarHBondContact N-O 2.92Å
100S90.4Very high92.7Very high50 Ų5039.9 Ų39.935%0.3523%0.226SC..THydrogen-bonded Turntrans-74.1-4.9174.858.30000114.6F98 L102F98-S100 PolarHBondContact O-N 3.06Å; S100-L102 PolarHBondContact O-N 3.39Å
101G90.6Very high92.3Very high43 Ų4345.5 Ų45.544%0.44326%0.263SS..SBendtrans79.3-1.3-172.900000113.8F98 S99F98-G101 PolarHBondContact O-N 3.04Å; S99-G101 PolarHBondContact O-N 3.17Å
102L92.6Very high92Very high31 Ų3146.9 Ų46.916%0.16227%0.273CS..  trans-68.2147.4170.5-69.2-177.9000110.2F98 S100 V118 N121 L124 I125F98-L102 HydrophobicContact CD2-CB 4.37Å; F98-L102 WeakPolarHBondContact CD2-O 3.13Å; F98-L102 PolarHBondContact N-O 3.37Å; S100-L102 PolarHBondContact O-N 3.39Å; L102-V118 HydrophobicContact CD1-CG1 4.3Å; L102-N121 WeakPolarHBondContact CD1-O 3.4Å; L102-L124 HydrophobicContact CD1-CB 3.95Å; L102-L124 HydrophobicContact CD1-CD1 4.25Å; L102-I125 HydrophobicContact CD1-CD1 4.08Å; L102-I125 HydrophobicContact CD1-CG1 4.13Å
103K94Very high92Very high81 Ų8145.1 Ų45.135%0.35226%0.256SS..EExtended strand (participates in β ladder)trans-100.9156.5175.7-64.2-178.4173.5-169.60110.3M95 V96 F119M95-K103 HydrophobicContact SD-CD 3.75Å; V96-K103 CarbonylContact O-C 3.57Å; V96-K103 WeakPolarHBondContact O-CA 3.42Å; K103-F119 HydrophobicContact CB-CD2 4.13Å; K103-F119 WeakPolarHBondContact O-CA 3.15Å; K103-F119 VanDerWaalsContact O-CB 3.31Å; K103-F119 WeakPolarHBondContact O-CB 3.38Å; K103-F119 PolarHBondContact O-N 3.26Å
104G94.1Very high92.1Very high0 Ų042.7 Ų42.70%025%0.245CC..EExtended strand (participates in β ladder)trans-145.7177.6170.900000111.4M95 V96 V117M95-G104 WeakPolarHBondContact CA-O 3.37Å; V96-G104 PolarHBondContact N-O 3.16Å; V96-G104 PolarHBondContact O-N 3.06Å; G104-V117 CarbonylContact C-O 3.46Å; G104-V117 WeakPolarHBondContact CA-O 3.25Å
105M94.3Very high92Very high6 Ų642.8 Ų42.83%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-130.3131.5175.7176-179.662.800110.1E93 E94 L107 V116 V117 F119 V138 Y287E93-M105 HydrophobicContact CB-SD 4.41Å; E94-M105 WeakPolarHBondContact O-CA 3.32Å; M105-L107 HydrophobicContact CE-CD1 4.13Å; M105-L107 HydrophobicContact CE-CD2 3.61Å; M105-L107 HydrophobicContact CE-CG 3.89Å; M105-L107 PolarHBondContact O-N 3.35Å; M105-L107 HydrophobicContact SD-CD2 4.38Å; M105-V116 WeakPolarHBondContact O-CA 3.43Å; M105-V117 PolarHBondContact N-O 3.47Å; M105-V117 PolarHBondContact O-N 2.92Å; M105-F119 HydrophobicContact CB-CE1 4.34Å; M105-F119 HydrophobicContact CB-CE2 3.71Å; M105-F119 HydrophobicContact CB-CZ 3.39Å; M105-F119 HydrophobicContact CE-CZ 4.3Å; M105-F119 HydrophobicContact CG-CZ 4.42Å; M105-F119 HydrophobicContact SD-CZ 4.34Å; M105-V138 HydrophobicContact CB-CG2 4.16Å; M105-V138 HydrophobicContact CG-CG2 3.85Å; M105-V138 HydrophobicContact SD-CG2 3.74Å; M105-Y287 HydrophobicContact CE-CE1 4.1Å
106S93.5Very high92.1Very high0 Ų042.2 Ų42.20%024%0.243CC..EExtended strand (participates in β ladder)trans-68.7126171.758.10000110Q91 E93 E94Q91-S106 PolarHBondContact O-OG 3.41Å; E93-S106 VanDerWaalsContact CA-O 3.3Å; E93-S106 WeakPolarHBondContact CA-O 3.44Å; E93-S106 PolarHBondContact N-O 3.25Å; E93-S106 PolarHBondContact N-OG 3.17Å; E94-S106 PolarHBondContact N-OG 3.34Å; E94-S106 PolarHBondContact O-N 2.95Å; E94-S106 PolarHBondContact O-OG 3.15Å
107L89.4Confident92Very high25 Ų2542.2 Ų42.213%0.13124%0.244CC..EExtended strand (participates in β ladder)trans-119.7-45.2177.3-79.8-175.7000113.3M105 G115 V117 M324 L328M105-L107 HydrophobicContact CE-CD1 4.13Å; M105-L107 HydrophobicContact CE-CD2 3.61Å; M105-L107 HydrophobicContact CE-CG 3.89Å; M105-L107 PolarHBondContact O-N 3.35Å; M105-L107 HydrophobicContact SD-CD2 4.38Å; L107-G115 PolarHBondContact N-O 3.41Å; L107-V117 HydrophobicContact CB-CG2 4.48Å; L107-V117 HydrophobicContact CD1-CB 4.23Å; L107-V117 HydrophobicContact CD1-CG2 3.53Å; L107-V117 HydrophobicContact CG-CG2 4.2Å; L107-M324 HydrophobicContact CD1-CE 3.52Å; L107-L328 HydrophobicContact CB-CD1 4.04Å; L107-L328 HydrophobicContact CD1-CD1 3.89Å
108N90.1Very high92Very high26 Ų2638.1 Ų38.114%0.13922%0.224CC..EExtended strand (participates in β ladder)trans-110.1124.9177.5-73.95.9000108.9V114 G115 R330N108-V114 WeakPolarHBondContact O-CA 3.33Å; N108-G115 PolarHBondContact N-O 2.96Å; N108-G115 PolarHBondContact O-N 3.08Å; N108-R330 PolarHBondContact OD1-NE 3.45Å; N108-R330 PolarHBondContact OD1-NH2 3.2Å
109L92.6Very high91.8Very high89 Ų8938.5 Ų38.547%0.46623%0.226SC..EExtended strand (participates in β ladder)trans-104.5101.9171.3-51.2-176.1000107.1V90 A92 V114V90-L109 HydrophobicContact CG1-CD2 3.75Å; A92-L109 HydrophobicContact CB-CD1 4.26Å; L109-V114 HydrophobicContact CD2-CG1 3.82Å; L109-V114 HydrophobicContact CD2-CG2 4.27Å
110E89.7Confident91.7Very high80 Ų8036.2 Ų36.237%0.37421%0.214SC..  trans-96.8161.3176.4-55.5-177.5179.300109.6D112 N113E110-D112 PolarHBondContact O-N 3.1Å; E110-N113 CarbonylContact C-O 3.45Å; E110-N113 WeakPolarHBondContact CA-O 3.37Å; E110-N113 VanDerWaalsContact CB-O 3.25Å; E110-N113 WeakPolarHBondContact CB-O 3.44Å; E110-N113 PolarHBondContact N-O 3.09Å; E110-N113 VanDerWaalsContact O-O 3.07Å; E110-N113 PolarHBondContact OE2-ND2 2.9Å; E110-N113 PolarHBondContact OE2-OD1 2.87Å
111P86.4Confident91.7Very high131 Ų13137.9 Ų37.985%0.85122%0.219SC*.SBendtrans-56.6-34.4-178.7-27.636.1000114.3
112D86.1Confident91.6Very high127 Ų12737.8 Ų37.868%0.67921%0.209SC*.SBendtrans-112.1-13.9-171.2-57.6-38000113.7H85 E110H85-D112 PolarHBondContact ND1-O 2.98Å; E110-D112 PolarHBondContact O-N 3.1Å
113N90.8Very high91.5Very high20 Ų2044.4 Ų44.411%0.10724%0.236CC..  trans-156.4163.7-176.973.691.1000112.2L75 V84 E110L75-N113 HydrophobicContact CD1-CB 4.06Å; V84-N113 CarbonylContact O-C 3.5Å; V84-N113 VanDerWaalsContact O-CA 3.3Å; V84-N113 WeakPolarHBondContact O-CA 3.39Å; E110-N113 CarbonylContact C-O 3.45Å; E110-N113 WeakPolarHBondContact CA-O 3.37Å; E110-N113 VanDerWaalsContact CB-O 3.25Å; E110-N113 WeakPolarHBondContact CB-O 3.44Å; E110-N113 PolarHBondContact N-O 3.09Å; E110-N113 VanDerWaalsContact O-O 3.07Å; E110-N113 PolarHBondContact OE2-ND2 2.9Å; E110-N113 PolarHBondContact OE2-OD1 2.87Å
114V93.3Very high91.5Very high8 Ų845.4 Ų45.45%0.04825%0.245CC..EExtended strand (participates in β ladder)trans-115.5125176.3179.30000109V84 L87 V90 N108 L109 V116V84-V114 PolarHBondContact N-O 3.45Å; V84-V114 PolarHBondContact O-N 2.73Å; L87-V114 HydrophobicContact CB-CG2 4.32Å; V90-V114 HydrophobicContact CG1-CG1 4.11Å; V90-V114 HydrophobicContact CG1-CG2 3.86Å; N108-V114 WeakPolarHBondContact O-CA 3.33Å; L109-V114 HydrophobicContact CD2-CG1 3.82Å; L109-V114 HydrophobicContact CD2-CG2 4.27Å; V114-V116 HydrophobicContact CG1-CG2 3.92Å; V114-V116 PolarHBondContact O-N 2.96Å
115G93.5Very high91.4Very high3 Ų345.8 Ų45.83%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-80.4106.8170.700000110.2L107 N108L107-G115 PolarHBondContact N-O 3.41Å; N108-G115 PolarHBondContact N-O 2.96Å; N108-G115 PolarHBondContact O-N 3.08Å
116V94.4Very high91.4Very high0 Ų052.4 Ų52.40%028%0.275CS..EExtended strand (participates in β ladder)trans-105.5131.5178.5177.70000109.4A82 V84 V96 F98 M105 V114A82-V116 HydrophobicContact CB-CB 4.37Å; A82-V116 PolarHBondContact N-O 2.94Å; A82-V116 PolarHBondContact O-N 3.41Å; V84-V116 HydrophobicContact CB-CG2 4.49Å; V84-V116 HydrophobicContact CG2-CB 4.32Å; V84-V116 HydrophobicContact CG2-CG2 3.84Å; V96-V116 HydrophobicContact CG2-CB 4.38Å; V96-V116 HydrophobicContact CG2-CG1 3.36Å; V96-V116 HydrophobicContact CG2-CG2 4.08Å; F98-V116 HydrophobicContact CE2-CG1 4.01Å; F98-V116 HydrophobicContact CZ-CB 4.37Å; F98-V116 HydrophobicContact CZ-CG1 3.7Å; M105-V116 WeakPolarHBondContact O-CA 3.43Å; V114-V116 HydrophobicContact CG1-CG2 3.92Å; V114-V116 PolarHBondContact O-N 2.96Å
117V93.8Very high91.3Very high1 Ų158.9 Ų58.91%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-98.5131.1174.9178.90000110I81 G104 M105 L107 P284 M324 L328I81-V117 HydrophobicContact CD1-CG2 4.37Å; I81-V117 HydrophobicContact CG1-CG2 4.41Å; G104-V117 CarbonylContact C-O 3.46Å; G104-V117 WeakPolarHBondContact CA-O 3.25Å; M105-V117 PolarHBondContact N-O 3.47Å; M105-V117 PolarHBondContact O-N 2.92Å; L107-V117 HydrophobicContact CB-CG2 4.48Å; L107-V117 HydrophobicContact CD1-CB 4.23Å; L107-V117 HydrophobicContact CD1-CG2 3.53Å; L107-V117 HydrophobicContact CG-CG2 4.2Å; V117-P284 HydrophobicContact CB-CG 4.38Å; V117-P284 HydrophobicContact CG1-CB 3.37Å; V117-P284 HydrophobicContact CG1-CG 2.93Å; V117-M324 HydrophobicContact CG1-CE 4.13Å; V117-M324 HydrophobicContact CG2-CE 4.45Å; V117-L328 HydrophobicContact CG2-CD1 4.34Å; V117-L328 HydrophobicContact CG2-CD2 4.47Å
118V94.3Very high91.3Very high0 Ų059.8 Ų59.80%032%0.321CS..EExtended strand (participates in β ladder)trans-89.7132-169.9-176.60000111.7I77 G80 A82 F98 L102 G120 I125I77-V118 HydrophobicContact CD1-CG2 4Å; G80-V118 PolarHBondContact O-N 3.41Å; A82-V118 HydrophobicContact CB-CG2 4.37Å; F98-V118 HydrophobicContact CE2-CG2 4.03Å; F98-V118 HydrophobicContact CZ-CG2 3.87Å; L102-V118 HydrophobicContact CD1-CG1 4.3Å; V118-G120 PolarHBondContact O-N 3.12Å; V118-I125 HydrophobicContact CB-CD1 4.32Å; V118-I125 HydrophobicContact CG1-CD1 3.58Å; V118-I125 HydrophobicContact CG2-CD1 3.7Å
119F92.1Very high91.4Very high13 Ų1360.3 Ų60.36%0.05732%0.323CS..SBendtrans-91.961175.9-62.2-42.8000111.8K103 M105 L154 P284 L285 L288K103-F119 HydrophobicContact CB-CD2 4.13Å; K103-F119 WeakPolarHBondContact O-CA 3.15Å; K103-F119 VanDerWaalsContact O-CB 3.31Å; K103-F119 WeakPolarHBondContact O-CB 3.38Å; K103-F119 PolarHBondContact O-N 3.26Å; M105-F119 HydrophobicContact CB-CE1 4.34Å; M105-F119 HydrophobicContact CB-CE2 3.71Å; M105-F119 HydrophobicContact CB-CZ 3.39Å; M105-F119 HydrophobicContact CE-CZ 4.3Å; M105-F119 HydrophobicContact CG-CZ 4.42Å; M105-F119 HydrophobicContact SD-CZ 4.34Å; F119-L154 HydrophobicContact CB-CD1 4.38Å; F119-L154 HydrophobicContact CD2-CD1 4.45Å; F119-L154 HydrophobicContact CD2-CD2 4.07Å; F119-L154 HydrophobicContact CE2-CD2 4.17Å; F119-P284 HydrophobicContact CD1-CB 3.74Å; F119-P284 HydrophobicContact CE1-CB 3.69Å; F119-L285 HydrophobicContact CB-CD2 4.02Å; F119-L285 HydrophobicContact CB-CG 4.39Å; F119-L285 HydrophobicContact CD1-CD2 3.98Å; F119-L285 HydrophobicContact CD1-CG 4.26Å; F119-L285 HydrophobicContact CG-CD2 4.17Å; F119-L288 HydrophobicContact CE1-CD2 4.33Å; F119-L288 HydrophobicContact CZ-CD2 4.1Å
120G90.3Very high91.4Very high27 Ų2760 Ų6028%0.27832%0.321SS..SBendtrans163.5-155-179.800000114V118V118-G120 PolarHBondContact O-N 3.12Å
121N90.3Very high91.7Very high84 Ų8456.2 Ų56.245%0.44930%0.304SS..  trans-83.6112.2179-175.2-0.3000110.3L102 K123 L124L102-N121 WeakPolarHBondContact CD1-O 3.4Å; N121-K123 PolarHBondContact O-N 3.01Å; N121-K123 WeakPolarHBondContact OD1-CB 3.47Å; N121-K123 WeakPolarHBondContact OD1-CG 3.29Å; N121-K123 PolarHBondContact OD1-N 3.09Å; N121-L124 PolarHBondContact O-N 3.35Å
122D88.7Confident92.1Very high41 Ų4156 Ų5622%0.21929%0.289CS..G310 helixtrans-65.7-19.8-177.859.5-10.3000114.3I77 D79 G80 L124 I125I77-D122 HydrophobicContact CD1-CB 3.96Å; I77-D122 HydrophobicContact CG1-CB 4.09Å; D79-D122 PolarHBondContact N-OD2 2.81Å; G80-D122 PolarHBondContact N-OD2 3.29Å; D122-L124 PolarHBondContact O-N 3.29Å; D122-I125 PolarHBondContact O-N 3.35Å
123K90.7Very high92.4Very high171 Ų17152.1 Ų52.174%0.74327%0.265SS*.G310 helixtrans-60.3-17.3176.7-63.8179.9-180-179.20114.6N121 I125N121-K123 PolarHBondContact O-N 3.01Å; N121-K123 WeakPolarHBondContact OD1-CB 3.47Å; N121-K123 WeakPolarHBondContact OD1-CG 3.29Å; N121-K123 PolarHBondContact OD1-N 3.09Å; K123-I125 VanDerWaalsContact C-N 3.33Å
124L92.4Very high92.4Very high102 Ų10254 Ų5453%0.53428%0.278SS..G310 helixtrans-86.7-6.2178-59.3179.7000112.9L102 N121 D122L102-L124 HydrophobicContact CD1-CB 3.95Å; L102-L124 HydrophobicContact CD1-CD1 4.25Å; N121-L124 PolarHBondContact O-N 3.35Å; D122-L124 PolarHBondContact O-N 3.29Å
125I93.8Very high92.3Very high7 Ų756.1 Ų56.14%0.03630%0.301CS..  trans-107.2138.1179.1-60.8165.7000108.3V74 I77 F98 L102 V118 D122 K123 D129V74-I125 HydrophobicContact CG1-CG2 4.32Å; V74-I125 HydrophobicContact CG2-CG2 4.01Å; I77-I125 HydrophobicContact CB-CG2 4.35Å; I77-I125 HydrophobicContact CG1-CB 4.25Å; I77-I125 HydrophobicContact CG1-CG2 4.24Å; I77-I125 HydrophobicContact CG2-CG2 4.47Å; F98-I125 HydrophobicContact CB-CD1 4.41Å; F98-I125 HydrophobicContact CB-CG1 4.33Å; F98-I125 HydrophobicContact CD1-CD1 3.7Å; F98-I125 HydrophobicContact CD1-CG1 4.02Å; F98-I125 HydrophobicContact CD1-CG2 3.89Å; F98-I125 HydrophobicContact CD2-CD1 3.85Å; F98-I125 HydrophobicContact CE1-CD1 3.85Å; F98-I125 HydrophobicContact CE1-CG2 4.11Å; F98-I125 HydrophobicContact CE2-CD1 3.99Å; F98-I125 HydrophobicContact CG-CD1 3.72Å; F98-I125 HydrophobicContact CG-CG1 4.09Å; F98-I125 HydrophobicContact CZ-CD1 3.99Å; L102-I125 HydrophobicContact CD1-CD1 4.08Å; L102-I125 HydrophobicContact CD1-CG1 4.13Å; V118-I125 HydrophobicContact CB-CD1 4.32Å; V118-I125 HydrophobicContact CG1-CD1 3.58Å; V118-I125 HydrophobicContact CG2-CD1 3.7Å; D122-I125 PolarHBondContact O-N 3.35Å; K123-I125 VanDerWaalsContact C-N 3.33Å; I125-D129 WeakPolarHBondContact CA-OD2 3.5Å
126K93.5Very high92Very high146 Ų14657.7 Ų57.764%0.63531%0.314SS*.  trans-124.5159.6178.4-63.7-179.6-177.1176.80110.8D129K126-D129 PolarHBondContact N-OD2 3.48Å; K126-D129 VanDerWaalsContact O-CB 3.28Å; K126-D129 WeakPolarHBondContact O-CB 3.45Å; K126-D129 PolarHBondContact O-N 3.5Å
127E91.9Very high91.9Very high136 Ų13659.3 Ų59.364%0.63632%0.322SS*.THydrogen-bonded Turntrans-58.6139.7167.4-177.4176.6171.700110.3L75 D129L75-E127 WeakPolarHBondContact O-CG 3.47Å; E127-D129 VanDerWaalsContact C-N 3.28Å; E127-D129 PolarHBondContact O-N 2.89Å
128G88.8Confident91.9Very high43 Ų4359.3 Ų59.344%0.44332%0.322SS..THydrogen-bonded Turntrans84.1-10-174.600000115V74V74-G128 PolarHBondContact O-N 3.48Å
129D92.9Very high91.8Very high37 Ų3761 Ų6120%0.19833%0.331CS..  trans-59.4141.7178-82.9-17000111.5R73 V74 S99 I125 K126 E127R73-D129 CarbonylContact C-O 3.57Å; R73-D129 WeakPolarHBondContact CA-O 3.3Å; V74-D129 HydrophobicContact CB-CB 4.46Å; V74-D129 HydrophobicContact CG2-CB 4.03Å; V74-D129 WeakPolarHBondContact CG2-O 3.32Å; V74-D129 PolarHBondContact N-O 3.19Å; S99-D129 PolarHBondContact OG-OD1 3.22Å; I125-D129 WeakPolarHBondContact CA-OD2 3.5Å; K126-D129 PolarHBondContact N-OD2 3.48Å; K126-D129 VanDerWaalsContact O-CB 3.28Å; K126-D129 WeakPolarHBondContact O-CB 3.45Å; K126-D129 PolarHBondContact O-N 3.5Å; E127-D129 VanDerWaalsContact C-N 3.28Å; E127-D129 PolarHBondContact O-N 2.89Å
130I92.8Very high92Very high83 Ų8360.4 Ų60.443%0.42633%0.328SS..EExtended strand (participates in β ladder)trans-78.4134.5177.5-60.7172000109G72 S99 K132G72-I130 CarbonylContact O-C 3.59Å; G72-I130 WeakPolarHBondContact O-CA 3.5Å; S99-I130 PolarHBondContact N-O 2.92Å; I130-K132 HydrophobicContact CG2-CG 4.22Å
131V94.9Very high92.3Very high0 Ų059.7 Ų59.70%032%0.319CS..EExtended strand (participates in β ladder)trans-117.5132.8173.3-172.30000108.2T71 G72 V74 V84 L87 V96 E97 F98T71-V131 CarbonylContact C-O 3.56Å; T71-V131 VanDerWaalsContact CA-O 3.32Å; T71-V131 WeakPolarHBondContact CA-O 3.45Å; G72-V131 PolarHBondContact N-O 3.5Å; G72-V131 PolarHBondContact O-N 3.47Å; V74-V131 HydrophobicContact CG2-CG2 3.56Å; V84-V131 HydrophobicContact CG1-CB 3.97Å; V84-V131 HydrophobicContact CG1-CG2 3.96Å; V84-V131 HydrophobicContact CG2-CB 4.48Å; V84-V131 HydrophobicContact CG2-CG2 3.89Å; L87-V131 HydrophobicContact CD1-CB 4.49Å; L87-V131 HydrophobicContact CD1-CG1 4.09Å; V96-V131 HydrophobicContact CB-CG1 3.8Å; V96-V131 HydrophobicContact CG2-CG1 3.87Å; E97-V131 WeakPolarHBondContact O-CA 3.14Å; F98-V131 HydrophobicContact CD1-CG2 3.56Å; F98-V131 HydrophobicContact CE1-CG1 4.49Å; F98-V131 HydrophobicContact CE1-CG2 3.65Å; F98-V131 HydrophobicContact CG-CG2 4.43Å
132K94.5Very high92.6Very high127 Ų12755.8 Ų55.855%0.55230%0.298SS*.EExtended strand (participates in β ladder)trans-117.5139.9177.8-61.1-171.6177.9-178.70109.7T71 V96 E97 I130T71-K132 HydrophobicContact CG2-CG 4.05Å; V96-K132 CarbonylContact C-O 3.58Å; V96-K132 WeakPolarHBondContact CA-O 3.24Å; E97-K132 PolarHBondContact N-O 3.42Å; E97-K132 PolarHBondContact O-N 3.44Å; I130-K132 HydrophobicContact CG2-CG 4.22Å
133R93.4Very high93Very high46 Ų4654 Ų5417%0.17429%0.289CS..EExtended strand (participates in β ladder)trans-77.3149.2171.168.2-178.8-77.6-146.316.8111.3E70 L87 N89 E94E70-R133 WeakPolarHBondContact O-CG 3.27Å; E70-R133 PolarHBondContact O-N 2.94Å; E70-R133 IonicContact OE1-CZ 3.15Å; E70-R133 IonicContact OE1-NH1 2.87Å; E70-R133 PolarHBondContact OE1-NH1 3.29Å; E70-R133 WeakPolarHBondContact OE2-CD 3.24Å; E70-R133 VanDerWaalsContact OE2-CG 3.28Å; E70-R133 WeakPolarHBondContact OE2-CG 3.38Å; E70-R133 IonicContact OE2-CZ 2.72Å; E70-R133 IonicContact OE2-NE 3.87Å; E70-R133 IonicContact OE2-NH1 3.59Å; E70-R133 PolarHBondContact OE2-NH1 3.03Å; L87-R133 HydrophobicContact CD2-CB 4.26Å; N89-R133 PolarHBondContact O-NH1 2.83Å; N89-R133 PolarHBondContact O-NH2 3.27Å; E94-R133 WeakPolarHBondContact OE1-CB 3.48Å; E94-R133 IonicContact OE1-CZ 3.59Å; E94-R133 IonicContact OE1-NE 3.61Å; E94-R133 PolarHBondContact OE1-NE 2.99Å; E94-R133 IonicContact OE1-NH2 3.63Å; E94-R133 PolarHBondContact OE1-NH2 3.2Å; E94-R133 IonicContact OE2-CZ 3.35Å; E94-R133 IonicContact OE2-NE 3.49Å; E94-R133 PolarHBondContact OE2-NE 3.34Å; E94-R133 IonicContact OE2-NH2 2.97Å; E94-R133 PolarHBondContact OE2-NH2 3.37Å
134T90.6Very high93.2Very high60 Ų6049.7 Ų49.737%0.36827%0.271SS..EExtended strand (participates in β ladder)trans-91.9-12178.863.40000112.9M95 A136M95-T134 HydrophobicContact CB-CG2 4.24Å; M95-T134 WeakPolarHBondContact CB-OG1 3.31Å; M95-T134 HydrophobicContact CG-CG2 4.09Å; M95-T134 WeakPolarHBondContact O-CB 3.49Å; M95-T134 WeakPolarHBondContact O-CG2 3.34Å; M95-T134 PolarHBondContact O-N 2.87Å; M95-T134 PolarHBondContact O-OG1 3.49Å; T134-A136 PolarHBondContact O-N 3.44Å; T134-A136 PolarHBondContact OG1-N 2.98Å; T134-A136 PolarHBondContact OG1-O 3.47Å
135G89.9Confident93.4Very high52 Ų5248.8 Ų48.854%0.53626%0.264SS..EExtended strand (participates in β ladder)trans76.62.4-175.800000113.8E94E94-G135 WeakPolarHBondContact OE1-CA 3.21Å; E94-G135 PolarHBondContact OE1-N 2.87Å
136A88.5Confident93.6Very high36 Ų3648.4 Ų48.430%0.29826%0.263SS..EExtended strand (participates in β ladder)trans-127.6130.8-176.500000112E94 M95 T134E94-A136 WeakPolarHBondContact CG-O 3.46Å; M95-A136 PolarHBondContact N-O 3.39Å; T134-A136 PolarHBondContact O-N 3.44Å; T134-A136 PolarHBondContact OG1-N 2.98Å; T134-A136 PolarHBondContact OG1-O 3.47Å
137I92.8Very high93.7Very high34 Ų3443.2 Ų43.217%0.17424%0.241CC..EExtended strand (participates in β ladder)trans-58.1142.8162.5-64.2169.6000108.3E93 D139E93-I137 HydrophobicContact CB-CG2 4.39Å; I137-D139 PolarHBondContact O-N 3.2Å; I137-D139 VanDerWaalsContact O-N 3.08Å
138V92Very high94Very high1 Ų137.2 Ų37.21%0.00622%0.216CC..SBendtrans-46.5119.5-177.5179.10000111.3E93 M95 M105 R171 V172 L288E93-V138 PolarHBondContact O-N 3.37Å; E93-V138 VanDerWaalsContact O-N 3.15Å; M95-V138 HydrophobicContact CB-CG2 4.22Å; M95-V138 HydrophobicContact CE-CB 4.28Å; M95-V138 HydrophobicContact CE-CG1 3.91Å; M95-V138 HydrophobicContact CE-CG2 4.05Å; M105-V138 HydrophobicContact CB-CG2 4.16Å; M105-V138 HydrophobicContact CG-CG2 3.85Å; M105-V138 HydrophobicContact SD-CG2 3.74Å; V138-R171 WeakPolarHBondContact O-CA 3.46Å; V138-V172 HydrophobicContact CB-CG2 3.96Å; V138-V172 HydrophobicContact CG1-CG1 4.05Å; V138-V172 HydrophobicContact CG1-CG2 3.84Å; V138-V172 WeakPolarHBondContact O-CG2 3.3Å; V138-V172 PolarHBondContact O-N 3.03Å; V138-L288 HydrophobicContact CG1-CD1 4.06Å; V138-L288 HydrophobicContact CG1-CD2 3.96Å
139D93.8Very high94.4Very high35 Ų3536.4 Ų36.419%0.18720%0.2CC..EExtended strand (participates in β ladder)trans-130.4160.3179.472.7-5.8000111.1I137 R169 R170 R171I137-D139 PolarHBondContact O-N 3.2Å; I137-D139 VanDerWaalsContact O-N 3.08Å; D139-R169 VanDerWaalsContact CG-NE 3.26Å; D139-R169 PolarHBondContact O-NH2 2.6Å; D139-R169 IonicContact OD1-CZ 2.69Å; D139-R169 VanDerWaalsContact OD1-CZ 3.25Å; D139-R169 IonicContact OD1-NE 2.69Å; D139-R169 PolarHBondContact OD1-NE 3.42Å; D139-R169 IonicContact OD1-NH2 3.93Å; D139-R169 PolarHBondContact OD1-NH2 3.16Å; D139-R169 WeakPolarHBondContact OD2-CB 3.36Å; D139-R169 IonicContact OD2-NE 3.45Å; D139-R169 PolarHBondContact OD2-NE 3.42Å; D139-R170 CarbonylContact C-O 3.58Å; D139-R170 VanDerWaalsContact CA-O 3.28Å; D139-R170 WeakPolarHBondContact CA-O 3.3Å; D139-R170 WeakPolarHBondContact CB-O 3.34Å; D139-R171 HydrophobicContact CB-CG 4.47Å
140V95.8Very high94.7Very high0 Ų035.4 Ų35.40%020%0.195CC..EExtended strand (participates in β ladder)trans-133.5150.4179.9-67.10000110.6V142 R169 R170 V172 M296V140-V142 HydrophobicContact CG2-CG1 4.36Å; V140-R169 CarbonylContact O-C 3.57Å; V140-R169 VanDerWaalsContact O-CA 3.32Å; V140-R169 WeakPolarHBondContact O-CA 3.38Å; V140-R170 PolarHBondContact N-O 2.89Å; V140-R170 PolarHBondContact O-N 2.95Å; V140-V172 HydrophobicContact CB-CG1 4.42Å; V140-V172 HydrophobicContact CG1-CG1 3.7Å; V140-V172 HydrophobicContact CG2-CG1 4.02Å; V140-M296 HydrophobicContact CB-CE 4.33Å; V140-M296 HydrophobicContact CG2-CE 4.38Å
141P96.7Very high94.9Very high13 Ų1331.4 Ų31.48%0.08417%0.174CC..EExtended strand (participates in β ladder)trans-60.8138.6169.827.1-33.8000110.4G155 T168P141-G155 WeakPolarHBondContact CG-O 3.47Å; P141-T168 WeakPolarHBondContact CA-O 3.37Å
142V97.1Very high95Very high2 Ų233.1 Ų33.11%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-133.5152.1176.4-61.50000109.9V140 L146 S166 T168 R170 M296 Y299V140-V142 HydrophobicContact CG2-CG1 4.36Å; V142-L146 VanDerWaalsContact C-CD1 3.49Å; V142-S166 PolarHBondContact N-OG 2.98Å; V142-S166 PolarHBondContact O-OG 3.46Å; V142-T168 HydrophobicContact CG2-CG2 3.98Å; V142-T168 PolarHBondContact N-O 2.88Å; V142-R170 HydrophobicContact CG1-CB 3.81Å; V142-R170 HydrophobicContact CG2-CB 3.9Å; V142-M296 HydrophobicContact CG1-CG 4.35Å; V142-Y299 HydrophobicContact CB-CD2 4.31Å; V142-Y299 HydrophobicContact CB-CG 4.39Å; V142-Y299 HydrophobicContact CG2-CD2 3.97Å
143G96Very high95Very high2 Ų227.1 Ų27.12%0.02116%0.157CC..SBendtrans145.7175.4-177.400000113.3E145 L146G143-E145 WeakPolarHBondContact CA-OE2 3.31Å; G143-E145 PolarHBondContact O-N 3.21Å; G143-L146 WeakPolarHBondContact O-CD1 3.25Å
144E95.9Very high95.1Very high81 Ų8125.9 Ų25.938%0.37915%0.154SC..G310 helixtrans-73.9-19.9176.5-64-173.3-165.400112L146 L147 Y299 F300 K305E144-L146 PolarHBondContact O-N 3.01Å; E144-L146 VanDerWaalsContact O-N 3.09Å; E144-L147 HydrophobicContact CB-CD1 4.15Å; E144-L147 HydrophobicContact CG-CD1 4.49Å; E144-L147 VanDerWaalsContact O-CB 3.27Å; E144-L147 WeakPolarHBondContact O-CB 3.37Å; E144-L147 VanDerWaalsContact O-CG 3.26Å; E144-L147 WeakPolarHBondContact O-CG 3.32Å; E144-L147 PolarHBondContact O-N 2.94Å; E144-Y299 HydrophobicContact CG-CE1 4.05Å; E144-F300 HydrophobicContact CG-CE1 4.08Å; E144-K305 IonicContact OE1-NZ 3.39Å; E144-K305 PolarHBondContact OE1-NZ 3.35Å; E144-K305 IonicContact OE2-NZ 2.6Å
145E96.1Very high95.3Very high83 Ų8323.2 Ų23.239%0.38814%0.139SC..G310 helixtrans-64.5-13.9178-5685.7170.300112.9G143 I164G143-E145 WeakPolarHBondContact CA-OE2 3.31Å; G143-E145 PolarHBondContact O-N 3.21Å; E145-I164 HydrophobicContact CB-CG2 4.36Å
146L97.2Very high95.5Very high0 Ų024.8 Ų24.80%014%0.135CC..G310 helixtrans-84.4-14.1173.8-68.6100000113.3V142 G143 E144 G148 R149 V151 I164 I273 M296V142-L146 VanDerWaalsContact C-CD1 3.49Å; G143-L146 WeakPolarHBondContact O-CD1 3.25Å; E144-L146 PolarHBondContact O-N 3.01Å; E144-L146 VanDerWaalsContact O-N 3.09Å; L146-G148 PolarHBondContact O-N 3.2Å; L146-R149 VanDerWaalsContact O-CB 3.23Å; L146-R149 WeakPolarHBondContact O-CB 3.1Å; L146-R149 WeakPolarHBondContact O-CG 3.45Å; L146-R149 PolarHBondContact O-N 3.03Å; L146-R149 VanDerWaalsContact O-N 3.08Å; L146-V151 HydrophobicContact CD2-CG1 4.35Å; L146-I164 HydrophobicContact CG-CG2 4.16Å; L146-I273 HydrophobicContact CB-CD1 3.68Å; L146-I273 HydrophobicContact CB-CG1 4.08Å; L146-I273 HydrophobicContact CB-CG2 4.2Å; L146-M296 HydrophobicContact CD2-CE 3.73Å; L146-M296 HydrophobicContact CD2-CG 4.21Å; L146-M296 HydrophobicContact CD2-SD 3.81Å
147L97.2Very high95.9Very high36 Ų3624.8 Ų24.819%0.18814%0.135CC..THydrogen-bonded Turntrans-61.8132.6179.3-64.3174000110.3E144 R149 Y243 I273 F300E144-L147 HydrophobicContact CB-CD1 4.15Å; E144-L147 HydrophobicContact CG-CD1 4.49Å; E144-L147 VanDerWaalsContact O-CB 3.27Å; E144-L147 WeakPolarHBondContact O-CB 3.37Å; E144-L147 VanDerWaalsContact O-CG 3.26Å; E144-L147 WeakPolarHBondContact O-CG 3.32Å; E144-L147 PolarHBondContact O-N 2.94Å; L147-R149 PolarHBondContact O-N 2.86Å; L147-Y243 HydrophobicContact CD1-CD1 3.8Å; L147-Y243 HydrophobicContact CD1-CE1 3.75Å; L147-Y243 HydrophobicContact CD2-CD1 3.85Å; L147-I273 HydrophobicContact CD2-CD1 4.36Å; L147-I273 HydrophobicContact CD2-CG1 3.97Å; L147-F300 HydrophobicContact CD1-CE1 4.41Å; L147-F300 HydrophobicContact CD1-CZ 4.42Å; L147-F300 HydrophobicContact CD2-CE1 4.35Å; L147-F300 HydrophobicContact CD2-CZ 3.73Å; L147-F300 HydrophobicContact CG-CZ 4.16Å
148G96.9Very high96Very high10 Ų1027.5 Ų27.510%0.10315%0.149CC..THydrogen-bonded Turntrans76.86.6-176.400000115.2L146 K161 M269 T272L146-G148 PolarHBondContact O-N 3.2Å; G148-K161 PolarHBondContact O-NZ 2.9Å; G148-M269 WeakPolarHBondContact CA-O 3.46Å; G148-M269 PolarHBondContact N-O 2.69Å; G148-M269 VanDerWaalsContact N-O 3.16Å; G148-T272 PolarHBondContact N-O 3.31Å
149R97.9Very high96.1Very high27 Ų2729.4 Ų29.410%0.10216%0.159CC..  trans-103.4152.9179.1-51-56.8-56.7-87.4-4.1112L146 L147 V151 A157 D159 G162 P163 I164 V274L146-R149 VanDerWaalsContact O-CB 3.23Å; L146-R149 WeakPolarHBondContact O-CB 3.1Å; L146-R149 WeakPolarHBondContact O-CG 3.45Å; L146-R149 PolarHBondContact O-N 3.03Å; L146-R149 VanDerWaalsContact O-N 3.08Å; L147-R149 PolarHBondContact O-N 2.86Å; R149-V151 HydrophobicContact CB-CG1 4.44Å; R149-A157 VanDerWaalsContact NH2-CB 3.3Å; R149-D159 VanDerWaalsContact CA-OD2 3.27Å; R149-D159 WeakPolarHBondContact CA-OD2 3.36Å; R149-D159 IonicContact CZ-OD1 2.67Å; R149-D159 IonicContact CZ-OD2 2.78Å; R149-D159 IonicContact NE-OD1 3.83Å; R149-D159 IonicContact NE-OD2 3.94Å; R149-D159 PolarHBondContact NE-OD2 3.24Å; R149-D159 IonicContact NH2-OD1 3.49Å; R149-D159 PolarHBondContact NH2-OD1 3.18Å; R149-D159 IonicContact NH2-OD2 2.96Å; R149-G162 PolarHBondContact NH2-O 2.98Å; R149-P163 PolarHBondContact NH1-O 3.26Å; R149-I164 HydrophobicContact CB-CD1 4.48Å; R149-V274 PolarHBondContact O-N 3.44Å; R149-V274 VanDerWaalsContact O-N 3.11Å
150V98.1Very high96.1Very high15 Ų1531.4 Ų31.49%0.09119%0.188CC..EExtended strand (participates in β ladder)trans-110124.3166.7-167.40000108.4I158 D159 V260 V274V150-I158 HydrophobicContact CB-CG1 4.21Å; V150-I158 HydrophobicContact CG1-CD1 3.96Å; V150-I158 HydrophobicContact CG1-CG1 3.82Å; V150-I158 WeakPolarHBondContact O-CG1 3.32Å; V150-I158 PolarHBondContact O-N 3.44Å; V150-D159 HydrophobicContact CB-CB 3.93Å; V150-D159 HydrophobicContact CG2-CB 4.06Å; V150-D159 PolarHBondContact N-OD2 3.31Å; V150-V260 HydrophobicContact CG2-CG1 4.13Å; V150-V260 HydrophobicContact CG2-CG2 3.87Å; V150-V274 CarbonylContact C-O 3.56Å; V150-V274 WeakPolarHBondContact CA-O 3.34Å; V150-V274 HydrophobicContact CB-CB 4.45Å; V150-V274 HydrophobicContact CG1-CB 4.06Å; V150-V274 HydrophobicContact CG1-CG1 3.97Å; V150-V274 HydrophobicContact CG2-CB 4.21Å
151V98Very high96Very high0 Ų038 Ų380%022%0.217CC..EExtended strand (participates in β ladder)trans-125.2153.7-175.7-600000112.2L146 R149 N156 I164 I273 V274 V275 S276 M296L146-V151 HydrophobicContact CD2-CG1 4.35Å; R149-V151 HydrophobicContact CB-CG1 4.44Å; V151-N156 CarbonylContact C-O 3.55Å; V151-N156 WeakPolarHBondContact CA-O 3.04Å; V151-N156 WeakPolarHBondContact CB-O 3.39Å; V151-I164 HydrophobicContact CG1-CD1 3.28Å; V151-I273 HydrophobicContact CG2-CG2 4.43Å; V151-V274 PolarHBondContact N-O 2.88Å; V151-V275 HydrophobicContact CG2-CB 4.41Å; V151-V275 HydrophobicContact CG2-CG2 3.9Å; V151-V275 CarbonylContact O-C 3.48Å; V151-V275 WeakPolarHBondContact O-CA 3.35Å; V151-S276 PolarHBondContact O-N 2.98Å; V151-M296 HydrophobicContact CG2-CE 3.82Å; V151-M296 HydrophobicContact CG2-SD 4.13Å
152D96.4Very high95.8Very high35 Ų3539.1 Ų39.119%0.18723%0.231CC..  trans-77.3-179.3169.772.412.4000112.1L154 G155 N156 I158 S276D152-L154 PolarHBondContact O-N 3.47Å; D152-L154 WeakPolarHBondContact OD1-CA 3.5Å; D152-L154 PolarHBondContact OD1-N 3.49Å; D152-G155 PolarHBondContact O-N 3.01Å; D152-G155 PolarHBondContact OD1-N 3.15Å; D152-N156 PolarHBondContact N-O 3.07Å; D152-N156 PolarHBondContact OD1-N 3.22Å; D152-N156 PolarHBondContact OD1-ND2 3.23Å; D152-N156 WeakPolarHBondContact OD2-CB 3.34Å; D152-N156 PolarHBondContact OD2-ND2 2.94Å; D152-I158 HydrophobicContact CB-CG2 4.04Å; D152-S276 WeakPolarHBondContact CA-O 3.32Å
153A95.8Very high95.6Very high1 Ų144.9 Ų44.91%0.00827%0.268CS..THydrogen-bonded Turntrans-66-15.717900000114.4A277 L285 L288 A289 S292A153-A277 HydrophobicContact CB-CB 4.5Å; A153-L285 HydrophobicContact CB-CB 4.14Å; A153-L285 HydrophobicContact CB-CD2 3.95Å; A153-L285 WeakPolarHBondContact CB-O 3.42Å; A153-L288 HydrophobicContact CB-CB 4.4Å; A153-A289 HydrophobicContact CB-CB 3.92Å; A153-S292 VanDerWaalsContact O-CB 3.29Å; A153-S292 WeakPolarHBondContact O-CB 2.79Å; A153-S292 PolarHBondContact O-OG 3.5Å
154L94.3Very high95.4Very high21 Ų2146.3 Ų46.311%0.1128%0.275CS..THydrogen-bonded Turntrans-96.8-2.4175.6-60.9177.2000112.1M95 F119 D152 L285 L288M95-L154 HydrophobicContact CE-CD2 4.12Å; F119-L154 HydrophobicContact CB-CD1 4.38Å; F119-L154 HydrophobicContact CD2-CD1 4.45Å; F119-L154 HydrophobicContact CD2-CD2 4.07Å; F119-L154 HydrophobicContact CE2-CD2 4.17Å; D152-L154 PolarHBondContact O-N 3.47Å; D152-L154 WeakPolarHBondContact OD1-CA 3.5Å; D152-L154 PolarHBondContact OD1-N 3.49Å; L154-L285 HydrophobicContact CD1-CD2 4.34Å; L154-L285 HydrophobicContact CD2-CD2 4.48Å; L154-L285 HydrophobicContact CG-CD2 4.02Å; L154-L288 HydrophobicContact CD2-CD2 3.69Å
155G94.3Very high95.1Very high4 Ų445.3 Ų45.34%0.04129%0.287CS..SBendtrans82.816-179.200000114.5P141 D152P141-G155 WeakPolarHBondContact CG-O 3.47Å; D152-G155 PolarHBondContact O-N 3.01Å; D152-G155 PolarHBondContact OD1-N 3.15Å
156N94.9Very high94.8Very high85 Ų8542.6 Ų42.646%0.45528%0.277SS..  trans-78.6142.5171.9-49.7-58.8000110.1V151 D152V151-N156 CarbonylContact C-O 3.55Å; V151-N156 WeakPolarHBondContact CA-O 3.04Å; V151-N156 WeakPolarHBondContact CB-O 3.39Å; D152-N156 PolarHBondContact N-O 3.07Å; D152-N156 PolarHBondContact OD1-N 3.22Å; D152-N156 PolarHBondContact OD1-ND2 3.23Å; D152-N156 WeakPolarHBondContact OD2-CB 3.34Å; D152-N156 PolarHBondContact OD2-ND2 2.94Å
157A96.6Very high94.4Very high36 Ų3651.5 Ų51.530%0.29832%0.315SS..BIsolated β-bridgetrans-69132176.700000112R149 G162 I164R149-A157 VanDerWaalsContact NH2-CB 3.3Å; A157-G162 WeakPolarHBondContact CB-O 3.43Å; A157-I164 HydrophobicContact CB-CD1 4.09Å; A157-I164 HydrophobicContact CB-CG1 4.05Å
158I95.9Very high94.3Very high91 Ų9153.3 Ų53.347%0.46733%0.328SS..  trans-123.18.4176.862.6170.6000112.8V150 D152V150-I158 HydrophobicContact CB-CG1 4.21Å; V150-I158 HydrophobicContact CG1-CD1 3.96Å; V150-I158 HydrophobicContact CG1-CG1 3.82Å; V150-I158 WeakPolarHBondContact O-CG1 3.32Å; V150-I158 PolarHBondContact O-N 3.44Å; D152-I158 HydrophobicContact CB-CG2 4.04Å
159D94.2Very high94.2Very high40 Ų4059 Ų5921%0.21435%0.347CS..SBendtrans-90.2-3.4-179.656.216.6000114.6R149 V150 K161R149-D159 VanDerWaalsContact CA-OD2 3.27Å; R149-D159 WeakPolarHBondContact CA-OD2 3.36Å; R149-D159 IonicContact CZ-OD1 2.67Å; R149-D159 IonicContact CZ-OD2 2.78Å; R149-D159 IonicContact NE-OD1 3.83Å; R149-D159 IonicContact NE-OD2 3.94Å; R149-D159 PolarHBondContact NE-OD2 3.24Å; R149-D159 IonicContact NH2-OD1 3.49Å; R149-D159 PolarHBondContact NH2-OD1 3.18Å; R149-D159 IonicContact NH2-OD2 2.96Å; V150-D159 HydrophobicContact CB-CB 3.93Å; V150-D159 HydrophobicContact CG2-CB 4.06Å; V150-D159 PolarHBondContact N-OD2 3.31Å; D159-K161 HydrophobicContact CB-CG 4.36Å; D159-K161 PolarHBondContact O-N 3Å; D159-K161 WeakPolarHBondContact OD1-CB 3.41Å; D159-K161 PolarHBondContact OD1-N 2.88Å
160G93.3Very high94Very high78 Ų7860.6 Ų60.680%0.80435%0.353SS*.SBendtrans73.27-177.800000114.9G162G160-G162 PolarHBondContact O-N 3.4Å
161K92.9Very high93.9Very high137 Ų13766.3 Ų66.360%0.59637%0.372SS*.SBendtrans-86.318.6179.9-59.6179.7-177.5175.20113.8G148 D159G148-K161 PolarHBondContact O-NZ 2.9Å; D159-K161 HydrophobicContact CB-CG 4.36Å; D159-K161 PolarHBondContact O-N 3Å; D159-K161 WeakPolarHBondContact OD1-CB 3.41Å; D159-K161 PolarHBondContact OD1-N 2.88Å
162G92.8Very high93.8Very high38 Ų3866.7 Ų66.739%0.39238%0.375SS..  trans82.5-174.8-17600000114.2R149 A157 G160R149-G162 PolarHBondContact NH2-O 2.98Å; A157-G162 WeakPolarHBondContact CB-O 3.43Å; G160-G162 PolarHBondContact O-N 3.4Å
163P92.6Very high93.4Very high122 Ų12267 Ų6779%0.79239%0.386SS*.  trans-68.2166.3-177.827.8-34000112.9R149R149-P163 PolarHBondContact NH1-O 3.26Å
164I93.1Very high93.2Very high33 Ų3369.7 Ų69.717%0.16940%0.4CS..  trans-100.6122.2176.6-62.8172.2000108.4E145 L146 R149 V151 A157 S166E145-I164 HydrophobicContact CB-CG2 4.36Å; L146-I164 HydrophobicContact CG-CG2 4.16Å; R149-I164 HydrophobicContact CB-CD1 4.48Å; V151-I164 HydrophobicContact CG1-CD1 3.28Å; A157-I164 HydrophobicContact CB-CD1 4.09Å; A157-I164 HydrophobicContact CB-CG1 4.05Å; I164-S166 PolarHBondContact O-N 2.94Å; I164-S166 VanDerWaalsContact O-N 3.14Å
165G89Confident93.2Very high60 Ų6078.2 Ų78.262%0.61944%0.436SS*.  trans-81.929.5-18000000114.8K167G165-K167 PolarHBondContact O-N 3.33Å
166S89.4Confident93.3Very high25 Ų2579.2 Ų79.218%0.17544%0.444CS..  trans-66.4132.7-179.6165.10000110.2V142 I164 T168V142-S166 PolarHBondContact N-OG 2.98Å; V142-S166 PolarHBondContact O-OG 3.46Å; I164-S166 PolarHBondContact O-N 2.94Å; I164-S166 VanDerWaalsContact O-N 3.14Å; S166-T168 PolarHBondContact OG-O 3.31Å; S166-T168 VanDerWaalsContact OG-O 3.09Å
167K89.9Confident93.3Very high187 Ų18776 Ų7681%0.81343%0.428SS*.  trans-90.1-16.9-178.2-59.5179.4-175.5175.10113.4G165G165-K167 PolarHBondContact O-N 3.33Å
168T94.4Very high93.2Very high75 Ų7576.3 Ų76.346%0.4644%0.435SS..EExtended strand (participates in β ladder)trans-120.7135.1-169.9-51.70000109.9P141 V142 S166P141-T168 WeakPolarHBondContact CA-O 3.37Å; V142-T168 HydrophobicContact CG2-CG2 3.98Å; V142-T168 PolarHBondContact N-O 2.88Å; S166-T168 PolarHBondContact OG-O 3.31Å; S166-T168 VanDerWaalsContact OG-O 3.09Å
169R94.1Very high93.2Very high129 Ų12979.6 Ų79.649%0.48745%0.452SS..EExtended strand (participates in β ladder)trans-113.3148.5171.2-58.6-17767.479.81.9109.8D139 V140D139-R169 VanDerWaalsContact CG-NE 3.26Å; D139-R169 PolarHBondContact O-NH2 2.6Å; D139-R169 IonicContact OD1-CZ 2.69Å; D139-R169 VanDerWaalsContact OD1-CZ 3.25Å; D139-R169 IonicContact OD1-NE 2.69Å; D139-R169 PolarHBondContact OD1-NE 3.42Å; D139-R169 IonicContact OD1-NH2 3.93Å; D139-R169 PolarHBondContact OD1-NH2 3.16Å; D139-R169 WeakPolarHBondContact OD2-CB 3.36Å; D139-R169 IonicContact OD2-NE 3.45Å; D139-R169 PolarHBondContact OD2-NE 3.42Å; V140-R169 CarbonylContact O-C 3.57Å; V140-R169 VanDerWaalsContact O-CA 3.32Å; V140-R169 WeakPolarHBondContact O-CA 3.38Å
170R95Very high93.3Very high60 Ų6084.8 Ų84.823%0.22648%0.478CS..EExtended strand (participates in β ladder)trans-137.6136179.8-166169.1-173.7173.2-1.4110.4D139 V140 V142 L174 E298 D302D139-R170 CarbonylContact C-O 3.58Å; D139-R170 VanDerWaalsContact CA-O 3.28Å; D139-R170 WeakPolarHBondContact CA-O 3.3Å; D139-R170 WeakPolarHBondContact CB-O 3.34Å; V140-R170 PolarHBondContact N-O 2.89Å; V140-R170 PolarHBondContact O-N 2.95Å; V142-R170 HydrophobicContact CG1-CB 3.81Å; V142-R170 HydrophobicContact CG2-CB 3.9Å; R170-L174 HydrophobicContact CG-CD1 3.6Å; R170-E298 IonicContact CZ-OE2 3.79Å; R170-E298 IonicContact NH2-OE2 2.83Å; R170-D302 IonicContact CZ-OD2 2.81Å; R170-D302 IonicContact NH1-OD2 2.85Å; R170-D302 PolarHBondContact NH1-OD2 3.25Å; R170-D302 IonicContact NH2-OD2 3.41Å; R170-D302 PolarHBondContact NH2-OD2 3.27Å
171R95.8Very high93.5Very high135 Ų13582.2 Ų82.251%0.50945%0.447SS..EExtended strand (participates in β ladder)trans-58.9138.7175.5-66.9-179.9-175.3173.3-0110.1V138 D139 L174 S295V138-R171 WeakPolarHBondContact O-CA 3.46Å; D139-R171 HydrophobicContact CB-CG 4.47Å; R171-L174 HydrophobicContact CB-CD2 4.22Å; R171-L174 HydrophobicContact CB-CG 4.31Å; R171-S295 PolarHBondContact O-OG 3.35Å
172V94.6Very high93.7Very high9 Ų978.9 Ų78.96%0.05543%0.431CS..SBendtrans-73.2-29.6-178.5-59.80000112.7V138 V140 L288 S295 R351V138-V172 HydrophobicContact CB-CG2 3.96Å; V138-V172 HydrophobicContact CG1-CG1 4.05Å; V138-V172 HydrophobicContact CG1-CG2 3.84Å; V138-V172 WeakPolarHBondContact O-CG2 3.3Å; V138-V172 PolarHBondContact O-N 3.03Å; V140-V172 HydrophobicContact CB-CG1 4.42Å; V140-V172 HydrophobicContact CG1-CG1 3.7Å; V140-V172 HydrophobicContact CG2-CG1 4.02Å; V172-L288 HydrophobicContact CB-CD1 4.26Å; V172-L288 HydrophobicContact CG1-CD1 4.34Å; V172-L288 HydrophobicContact CG2-CD1 3.78Å; V172-S295 WeakPolarHBondContact CA-OG 3.36Å; V172-S295 PolarHBondContact O-OG 3Å; V172-R351 PolarHBondContact O-NH1 2.71Å; V172-R351 PolarHBondContact O-NH2 3.42Å
173G88.9Confident93.9Very high41 Ų4180.6 Ų80.642%0.42343%0.43SS..SBendtrans-99.846.9-173.700000114.3
174L91.8Very high94.1Very high57 Ų5778.5 Ų78.530%0.29842%0.418SS..PPolyproline II helixtrans-77.1147.7177.9-69.4174.6000112.7R170 R171R170-L174 HydrophobicContact CG-CD1 3.6Å; R171-L174 HydrophobicContact CB-CD2 4.22Å; R171-L174 HydrophobicContact CB-CG 4.31Å
175K94.2Very high94.2Very high201 Ų20178.1 Ų78.187%0.87442%0.417SS*.PPolyproline II helixtrans-66.8137.1175-170179.2179.2178.20110.1
176A95.5Very high94.4Very high24 Ų2484 Ų8420%0.19842%0.421CS..PPolyproline II helixtrans-58.8150.3172.900000112.1G178 E350 R351A176-G178 PolarHBondContact O-N 2.91Å; A176-E350 HydrophobicContact CB-CB 3.92Å; A176-E350 WeakPolarHBondContact CB-O 3.17Å; A176-R351 HydrophobicContact CB-CG 3.95Å
177P95.6Very high94.6Very high17 Ų1786.1 Ų86.111%0.1143%0.428CS..PPolyproline II helixtrans-59.9137.8173.924.9-32000110R182 A353 M355P177-R182 VanDerWaalsContact O-CZ 3.27Å; P177-R182 PolarHBondContact O-NE 3.18Å; P177-R182 PolarHBondContact O-NH2 3.23Å; P177-A353 HydrophobicContact CG-CB 3.98Å; P177-M355 HydrophobicContact CB-CE 4.12Å; P177-M355 HydrophobicContact CB-SD 4.06Å; P177-M355 HydrophobicContact CG-SD 4.17Å
178G95.1Very high94.9Very high44 Ų4479 Ų7945%0.45440%0.401SS..  trans-67.6-170.6175.300000112.8A176 P181 R182A176-G178 PolarHBondContact O-N 2.91Å; G178-P181 WeakPolarHBondContact O-CD 3.32Å; G178-R182 WeakPolarHBondContact O-CD 3.37Å; G178-R182 VanDerWaalsContact O-CG 3.3Å; G178-R182 WeakPolarHBondContact O-CG 3.45Å; G178-R182 PolarHBondContact O-NE 3.37Å
179I95.8Very high95Very high159 Ų15975.6 Ų75.682%0.81538%0.38SS*.SBendtrans-70.5-45.4-179.3-60.3173000111.4R182I179-R182 PolarHBondContact O-N 3.33Å; I179-R182 VanDerWaalsContact O-N 3.12Å
180I96.4Very high95.1Very high149 Ų14970.5 Ų70.576%0.76436%0.362SS*.THydrogen-bonded Turntrans-59.4-43.1-173.8-59.5171.6000113.4R182 N356I180-R182 PolarHBondContact O-N 2.85Å; I180-N356 PolarHBondContact O-ND2 3.4Å
181P96.3Very high95.2Very high24 Ų2467.7 Ų67.716%0.15635%0.351CS..THydrogen-bonded Turntrans-69.8-12.6178.6-22.636.2000114.9G178 M355 N356 F359G178-P181 WeakPolarHBondContact O-CD 3.32Å; P181-M355 HydrophobicContact CB-CE 3.55Å; P181-M355 WeakPolarHBondContact O-CA 3.36Å; P181-N356 PolarHBondContact O-N 2.9Å; P181-N356 PolarHBondContact O-ND2 2.9Å; P181-F359 HydrophobicContact CB-CD1 4.38Å; P181-F359 HydrophobicContact CB-CD2 3.73Å; P181-F359 HydrophobicContact CB-CE1 4.45Å; P181-F359 HydrophobicContact CB-CE2 3.84Å; P181-F359 HydrophobicContact CB-CG 4.04Å; P181-F359 HydrophobicContact CB-CZ 4.2Å; P181-F359 HydrophobicContact CG-CD2 4.43Å; P181-F359 HydrophobicContact CG-CE1 4.46Å; P181-F359 HydrophobicContact CG-CE2 4.03Å; P181-F359 HydrophobicContact CG-CZ 4.05Å
182R97.1Very high95.2Very high68 Ų6861.3 Ų61.326%0.25733%0.327SS..BIsolated β-bridgetrans-89.1160.1-176.6-62.6177.9-168.5-1604.1111.4P177 G178 I179 I180 E350 A353 K354P177-R182 VanDerWaalsContact O-CZ 3.27Å; P177-R182 PolarHBondContact O-NE 3.18Å; P177-R182 PolarHBondContact O-NH2 3.23Å; G178-R182 WeakPolarHBondContact O-CD 3.37Å; G178-R182 VanDerWaalsContact O-CG 3.3Å; G178-R182 WeakPolarHBondContact O-CG 3.45Å; G178-R182 PolarHBondContact O-NE 3.37Å; I179-R182 PolarHBondContact O-N 3.33Å; I179-R182 VanDerWaalsContact O-N 3.12Å; I180-R182 PolarHBondContact O-N 2.85Å; R182-E350 IonicContact CZ-OE2 3.08Å; R182-E350 IonicContact NH1-OE2 3.41Å; R182-E350 PolarHBondContact NH1-OE2 3.34Å; R182-E350 PolarHBondContact NH2-O 2.74Å; R182-E350 IonicContact NH2-OE2 3.97Å; R182-E350 PolarHBondContact NH2-OE2 3.39Å; R182-A353 HydrophobicContact CG-CB 4.04Å; R182-K354 VanDerWaalsContact CA-O 3.32Å; R182-K354 WeakPolarHBondContact CA-O 3.48Å
183I97Very high95.4Very high74 Ų7461 Ų6138%0.37933%0.325SS..  trans-133156.5168.6-168.7168000110K354 M355 N356I183-K354 HydrophobicContact CG2-CB 4.2Å; I183-K354 HydrophobicContact CG2-CG 3.49Å; I183-K354 VanDerWaalsContact CG2-CG 3.49Å; I183-K354 PolarHBondContact N-O 3.47Å; I183-M355 WeakPolarHBondContact CG2-O 3.23Å; I183-N356 HydrophobicContact CB-CB 4.16Å
184S96.6Very high95.7Very high78 Ų7859.1 Ų59.155%0.54531%0.305SS..  trans-58.2137.7175-52.20000111.9R186S184-R186 PolarHBondContact O-N 3.21Å
185V96.8Very high95.9Very high24 Ų2456.6 Ų56.615%0.14529%0.293CS..  trans-71119176.6179.20000109.9G203 R204 K354 V417V185-G203 VanDerWaalsContact CG1-CA 3.5Å; V185-R204 WeakPolarHBondContact CG1-O 3.46Å; V185-K354 HydrophobicContact CG2-CB 4.34Å; V185-V417 HydrophobicContact CB-CG1 4.24Å; V185-V417 HydrophobicContact CG1-CG1 4.21Å
186R92.5Very high96Very high184 Ų18447 Ų4769%0.69425%0.251SS*.  trans-134.8-3.1-179.5-62.2178.8-179.6173.71.1113.8S184 A420S184-R186 PolarHBondContact O-N 3.21Å; R186-A420 CarbonylContact C-O 3.58Å; R186-A420 WeakPolarHBondContact CA-O 3.34Å
187E93.6Very high96Very high69 Ų6946.3 Ų46.332%0.32224%0.244SC..SBendtrans-105.1127.7-178-68.4167.8-152.800109.1G203 R204 H306 K354E187-G203 CarbonylContact O-C 3.44Å; E187-G203 VanDerWaalsContact O-CA 3.24Å; E187-G203 WeakPolarHBondContact O-CA 3.17Å; E187-R204 HydrophobicContact CB-CB 4.18Å; E187-R204 HydrophobicContact CB-CG 4.19Å; E187-R204 PolarHBondContact O-N 2.6Å; E187-R204 WeakPolarHBondContact OE2-CD 3.31Å; E187-H306 IonicContact OE2-CE1 3.57Å; E187-H306 PolarHBondContact OE2-CE1 2.83Å; E187-H306 IonicContact OE2-NE2 2.77Å; E187-K354 VanDerWaalsContact CD-CE 3.41Å; E187-K354 WeakPolarHBondContact OE1-CE 3.2Å; E187-K354 IonicContact OE1-NZ 2.84Å; E187-K354 PolarHBondContact OE1-NZ 2.88Å; E187-K354 VanDerWaalsContact OE1-NZ 3.08Å; E187-K354 WeakPolarHBondContact OE2-CE 3.39Å; E187-K354 IonicContact OE2-NZ 3.37Å
188P95.9Very high96Very high39 Ų3945.8 Ų45.825%0.25324%0.241SC..BIsolated β-bridgetrans-68.7140.8178.326.9-33.6000111.7R204 A421 T423P188-R204 PolarHBondContact O-NE 2.8Å; P188-A421 WeakPolarHBondContact CA-O 3.5Å; P188-A421 VanDerWaalsContact CB-O 3.27Å; P188-A421 WeakPolarHBondContact CB-O 3.41Å; P188-T423 HydrophobicContact CG-CG2 4.05Å
189M96.8Very high95.9Very high3 Ų344 Ų442%0.01522%0.221CC..  trans-107.2100.7163.1-170.1-74.4-67.600107T191 I202 R204 T225 L242 L308 T365 L367M189-T191 HydrophobicContact CE-CG2 4.11Å; M189-I202 WeakPolarHBondContact CA-O 3.37Å; M189-I202 HydrophobicContact CE-CB 3.88Å; M189-I202 HydrophobicContact CE-CD1 4Å; M189-I202 HydrophobicContact CE-CG2 3.61Å; M189-I202 PolarHBondContact N-O 2.91Å; M189-R204 HydrophobicContact CB-CG 4.07Å; M189-T225 HydrophobicContact CE-CG2 3.93Å; M189-T225 HydrophobicContact SD-CG2 3.73Å; M189-L242 HydrophobicContact CG-CD2 3.8Å; M189-L242 HydrophobicContact SD-CD2 4.18Å; M189-L308 HydrophobicContact CE-CD1 4.12Å; M189-L308 HydrophobicContact SD-CD2 4.46Å; M189-T365 HydrophobicContact CE-CG2 4.25Å; M189-T365 HydrophobicContact CG-CG2 4.36Å; M189-L367 HydrophobicContact CE-CD1 4.34Å; M189-L367 HydrophobicContact CE-CD2 4.46Å
190Q96.1Very high96Very high22 Ų2236.5 Ų36.510%0.10318%0.182CC..  trans-77.6126.6-172.8-63.1179-0.200110.2N228 Q229 F232Q190-N228 PolarHBondContact O-ND2 3.04Å; Q190-Q229 PolarHBondContact O-NE2 3.31Å; Q190-F232 VanDerWaalsContact OE1-CZ 3.28Å
191T97.3Very high95.9Very high1 Ų129.8 Ų29.81%0.00615%0.148CC..  trans-86.8-22.9176.765.10000112.4M189 I193 V196 D197 I202 T225 N228M189-T191 HydrophobicContact CE-CG2 4.11Å; T191-I193 PolarHBondContact OG1-N 3.32Å; T191-V196 HydrophobicContact CG2-CB 4.43Å; T191-V196 HydrophobicContact CG2-CG1 3.78Å; T191-D197 WeakPolarHBondContact CB-OD1 3.38Å; T191-D197 PolarHBondContact N-OD1 2.87Å; T191-D197 PolarHBondContact N-OD2 2.83Å; T191-D197 PolarHBondContact OG1-OD1 3.21Å; T191-D197 PolarHBondContact OG1-OD2 2.99Å; T191-I202 HydrophobicContact CG2-CD1 3.86Å; T191-T225 HydrophobicContact CG2-CG2 4.1Å; T191-N228 VanDerWaalsContact O-CB 3.25Å; T191-N228 WeakPolarHBondContact O-CB 2.95Å
192G96.1Very high96Very high0 Ų028.8 Ų28.80%014%0.142CC..SBendtrans79.26-172.900000112.6D197 N228 Q473 P478 M479G192-D197 PolarHBondContact N-OD2 3.04Å; G192-N228 WeakPolarHBondContact CA-OD1 3.16Å; G192-N228 PolarHBondContact N-ND2 2.78Å; G192-Q473 PolarHBondContact O-NE2 3.45Å; G192-P478 WeakPolarHBondContact O-CA 3.2Å; G192-M479 WeakPolarHBondContact CA-O 3.4Å; G192-M479 PolarHBondContact O-N 3.37Å
193I97.5Very high96.1Very high4 Ų425.5 Ų25.52%0.02113%0.129CC..  trans-107.2113.9-178.9-59.8166.4000107.6T191 A195 V196 D197 I221 D224 P406T191-I193 PolarHBondContact OG1-N 3.32Å; I193-A195 VanDerWaalsContact C-N 3.26Å; I193-A195 HydrophobicContact CG2-CB 4.49Å; I193-A195 PolarHBondContact O-N 3.12Å; I193-A195 VanDerWaalsContact O-N 3.17Å; I193-V196 HydrophobicContact CB-CB 4.19Å; I193-V196 HydrophobicContact CB-CG2 4.07Å; I193-V196 HydrophobicContact CD1-CG2 4.41Å; I193-V196 HydrophobicContact CG2-CB 4.33Å; I193-V196 HydrophobicContact CG2-CG2 3.86Å; I193-V196 PolarHBondContact O-N 3.47Å; I193-D197 PolarHBondContact O-N 3.35Å; I193-I221 HydrophobicContact CD1-CB 4.09Å; I193-I221 HydrophobicContact CD1-CG1 4.14Å; I193-I221 HydrophobicContact CD1-CG2 3.77Å; I193-D224 HydrophobicContact CD1-CB 4.08Å; I193-D224 HydrophobicContact CG1-CB 4.27Å; I193-P406 HydrophobicContact CG2-CG 3.76Å
194K95.6Very high96.1Very high0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-48.8-49.1-176.9-70.6175.7-65.7178.60111.9V196 S198 L470 L471 K472 M479 Q484 V487 E508K194-V196 VanDerWaalsContact C-N 3.32Å; K194-V196 PolarHBondContact O-N 2.88Å; K194-S198 VanDerWaalsContact O-CB 3.23Å; K194-S198 WeakPolarHBondContact O-CB 3.49Å; K194-S198 PolarHBondContact O-N 3.18Å; K194-S198 PolarHBondContact O-OG 3.4Å; K194-L470 WeakPolarHBondContact CE-O 3.34Å; K194-L470 PolarHBondContact NZ-O 3.29Å; K194-L471 HydrophobicContact CB-CD2 4.17Å; K194-K472 WeakPolarHBondContact CE-O 3.47Å; K194-K472 PolarHBondContact NZ-O 2.87Å; K194-M479 HydrophobicContact CD-CE 3.91Å; K194-M479 HydrophobicContact CD-SD 4.02Å; K194-M479 HydrophobicContact CG-CE 4.4Å; K194-M479 HydrophobicContact CG-SD 4.09Å; K194-Q484 HydrophobicContact CG-CB 4.31Å; K194-Q484 HydrophobicContact CG-CG 3.83Å; K194-V487 HydrophobicContact CD-CG1 4.32Å; K194-E508 IonicContact NZ-OE1 3.5Å; K194-E508 PolarHBondContact NZ-OE1 3.41Å; K194-E508 IonicContact NZ-OE2 3.63Å; K194-E508 PolarHBondContact NZ-OE2 2.64Å
195A95.3Very high96.1Very high4 Ų419.6 Ų19.63%0.0339%0.092CC..Hα-helixtrans-65.4-31.6-176.700000113.4I193 L199 P406 I408 L471I193-A195 VanDerWaalsContact C-N 3.26Å; I193-A195 HydrophobicContact CG2-CB 4.49Å; I193-A195 PolarHBondContact O-N 3.12Å; I193-A195 VanDerWaalsContact O-N 3.17Å; A195-L199 VanDerWaalsContact O-CB 3.25Å; A195-L199 WeakPolarHBondContact O-CB 3.41Å; A195-L199 WeakPolarHBondContact O-CG 3.46Å; A195-L199 PolarHBondContact O-N 2.93Å; A195-P406 HydrophobicContact CB-CG 4.03Å; A195-I408 HydrophobicContact CB-CD1 3.81Å; A195-L471 HydrophobicContact CB-CB 4.39Å; A195-L471 HydrophobicContact CB-CD2 4.28Å
196V96.5Very high96.2Very high0 Ų018.5 Ų18.50%09%0.085CC..Hα-helixtrans-80.8-54.9177.4179.60000109.8T191 I193 K194 S198 L199 V200 I202 I393 I408T191-V196 HydrophobicContact CG2-CB 4.43Å; T191-V196 HydrophobicContact CG2-CG1 3.78Å; I193-V196 HydrophobicContact CB-CB 4.19Å; I193-V196 HydrophobicContact CB-CG2 4.07Å; I193-V196 HydrophobicContact CD1-CG2 4.41Å; I193-V196 HydrophobicContact CG2-CB 4.33Å; I193-V196 HydrophobicContact CG2-CG2 3.86Å; I193-V196 PolarHBondContact O-N 3.47Å; K194-V196 VanDerWaalsContact C-N 3.32Å; K194-V196 PolarHBondContact O-N 2.88Å; V196-S198 PolarHBondContact O-N 3.17Å; V196-S198 VanDerWaalsContact O-N 3.16Å; V196-L199 PolarHBondContact O-N 2.71Å; V196-V200 WeakPolarHBondContact CG1-O 3.42Å; V196-V200 CarbonylContact O-C 3.56Å; V196-V200 WeakPolarHBondContact O-CA 3.33Å; V196-V200 PolarHBondContact O-N 3.26Å; V196-V200 VanDerWaalsContact O-O 3.05Å; V196-I202 HydrophobicContact CG1-CD1 3.95Å; V196-I202 HydrophobicContact CG1-CG1 4.13Å; V196-I393 HydrophobicContact CG1-CD1 3.79Å; V196-I393 HydrophobicContact CG2-CD1 4.13Å; V196-I408 HydrophobicContact CG2-CD1 3.53Å
197D96.6Very high96.4Very high9 Ų910.8 Ų10.85%0.0486%0.056CC..Hα-helixtrans-63.3-28-173.6-67.5-19.9000112.8T191 G192 I193 Q422 Q484T191-D197 WeakPolarHBondContact CB-OD1 3.38Å; T191-D197 PolarHBondContact N-OD1 2.87Å; T191-D197 PolarHBondContact N-OD2 2.83Å; T191-D197 PolarHBondContact OG1-OD1 3.21Å; T191-D197 PolarHBondContact OG1-OD2 2.99Å; G192-D197 PolarHBondContact N-OD2 3.04Å; I193-D197 PolarHBondContact O-N 3.35Å; D197-Q422 PolarHBondContact O-NE2 2.98Å; D197-Q484 PolarHBondContact OD2-NE2 2.9Å; D197-Q484 PolarHBondContact OD2-OE1 3.17Å
198S94.9Very high96.7Very high6 Ų67.5 Ų7.54%0.0424%0.041CC..Hα-helixtrans-87.9-45177.165.20000114.4K194 V196 Q422K194-S198 VanDerWaalsContact O-CB 3.23Å; K194-S198 WeakPolarHBondContact O-CB 3.49Å; K194-S198 PolarHBondContact O-N 3.18Å; K194-S198 PolarHBondContact O-OG 3.4Å; V196-S198 PolarHBondContact O-N 3.17Å; V196-S198 VanDerWaalsContact O-N 3.16Å; S198-Q422 PolarHBondContact O-NE2 2.88Å
199L94.3Very high96.8Very high8 Ų85.7 Ų5.74%0.0423%0.029CC..Hα-helixtrans-97.5-33.3-171-53.7176000113.8A195 V196 V410 M433 K434 L437 L471A195-L199 VanDerWaalsContact O-CB 3.25Å; A195-L199 WeakPolarHBondContact O-CB 3.41Å; A195-L199 WeakPolarHBondContact O-CG 3.46Å; A195-L199 PolarHBondContact O-N 2.93Å; V196-L199 PolarHBondContact O-N 2.71Å; L199-V410 HydrophobicContact CD1-CB 4.46Å; L199-V410 HydrophobicContact CD1-CG1 4.07Å; L199-V410 HydrophobicContact CD1-CG2 3.73Å; L199-M433 HydrophobicContact CD2-CB 4.47Å; L199-M433 HydrophobicContact CD2-CG 4.16Å; L199-M433 HydrophobicContact CD2-SD 4.23Å; L199-K434 HydrophobicContact CD2-CB 4.12Å; L199-L437 HydrophobicContact CD1-CD1 4.18Å; L199-L437 HydrophobicContact CD2-CD1 4Å; L199-L471 HydrophobicContact CD1-CD1 3.73Å; L199-L471 HydrophobicContact CG-CD1 4.45Å
200V96.1Very high96.9Very high0 Ų05.5 Ų5.50%03%0.028CC..SBendtrans-137.463.6-172.6-163.30000108.7V196 E208 I393V196-V200 WeakPolarHBondContact CG1-O 3.42Å; V196-V200 CarbonylContact O-C 3.56Å; V196-V200 WeakPolarHBondContact O-CA 3.33Å; V196-V200 PolarHBondContact O-N 3.26Å; V196-V200 VanDerWaalsContact O-O 3.05Å; V200-E208 WeakPolarHBondContact CG1-OE1 3.28Å; V200-I393 HydrophobicContact CB-CG1 4.36Å; V200-I393 HydrophobicContact CG1-CG1 3.97Å
201P95.9Very high97Very high8 Ų84.5 Ų4.55%0.0522%0.023CC..  trans-64.2143.7-173.629-37.9000111.3S415 G418 A421 Q422P201-S415 WeakPolarHBondContact O-CB 3.17Å; P201-S415 PolarHBondContact O-OG 3.4Å; P201-G418 WeakPolarHBondContact CG-O 3.38Å; P201-A421 HydrophobicContact CB-CB 4.33Å; P201-Q422 HydrophobicContact CB-CG 3.35Å; P201-Q422 HydrophobicContact CG-CG 3.63Å
202I98.2Very high96.9Very high3 Ų34.5 Ų4.52%0.0152%0.023CC..  trans-113.9130.7-179.1-48.2-178.9000108.7M189 T191 V196 Q206 E208 T365 L367 I393M189-I202 WeakPolarHBondContact CA-O 3.37Å; M189-I202 HydrophobicContact CE-CB 3.88Å; M189-I202 HydrophobicContact CE-CD1 4Å; M189-I202 HydrophobicContact CE-CG2 3.61Å; M189-I202 PolarHBondContact N-O 2.91Å; T191-I202 HydrophobicContact CG2-CD1 3.86Å; V196-I202 HydrophobicContact CG1-CD1 3.95Å; V196-I202 HydrophobicContact CG1-CG1 4.13Å; I202-Q206 HydrophobicContact CG2-CB 4.36Å; I202-E208 HydrophobicContact CD1-CB 4Å; I202-E208 HydrophobicContact CD1-CG 3.93Å; I202-E208 HydrophobicContact CG1-CB 4.15Å; I202-E208 HydrophobicContact CG1-CG 3.97Å; I202-E208 HydrophobicContact CG2-CB 4.14Å; I202-T365 HydrophobicContact CG2-CG2 3.99Å; I202-L367 HydrophobicContact CD1-CD2 3.76Å; I202-L367 HydrophobicContact CG2-CD2 4.37Å; I202-I393 HydrophobicContact CD1-CD1 4.08Å
203G97.7Very high96.9Very high0 Ų05.8 Ų5.80%03%0.03CC..BIsolated β-bridgetrans-102.7159.6177.300000113.5V185 E187 G205 Q206 T365V185-G203 VanDerWaalsContact CG1-CA 3.5Å; E187-G203 CarbonylContact O-C 3.44Å; E187-G203 VanDerWaalsContact O-CA 3.24Å; E187-G203 WeakPolarHBondContact O-CA 3.17Å; G203-G205 PolarHBondContact O-N 3Å; G203-Q206 WeakPolarHBondContact O-CB 3.39Å; G203-Q206 PolarHBondContact O-N 2.9Å; G203-T365 WeakPolarHBondContact O-CG2 3.41Å
204R97.6Very high96.6Very high22 Ų2213.5 Ų13.58%0.0836%0.059CC..THydrogen-bonded Turntrans-67.2117.8176.6-66.5-177178.2-157.2-9110.8V185 E187 P188 M189 K239 K240 H306 T365V185-R204 WeakPolarHBondContact CG1-O 3.46Å; E187-R204 HydrophobicContact CB-CB 4.18Å; E187-R204 HydrophobicContact CB-CG 4.19Å; E187-R204 PolarHBondContact O-N 2.6Å; E187-R204 WeakPolarHBondContact OE2-CD 3.31Å; P188-R204 PolarHBondContact O-NE 2.8Å; M189-R204 HydrophobicContact CB-CG 4.07Å; R204-K239 PolarHBondContact NH1-O 3.42Å; R204-K240 PolarHBondContact NH2-O 3.49Å; R204-H306 PolarHBondContact NH1-CD2 2.92Å; R204-H306 PolarHBondContact NH1-NE2 2.81Å; R204-T365 WeakPolarHBondContact CA-OG1 3.49Å
205G96.9Very high96.3Very high5 Ų520.8 Ų20.85%0.0529%0.093CC..THydrogen-bonded Turntrans94.21.4-173.700000114.7G203 L364 T365G203-G205 PolarHBondContact O-N 3Å; G205-L364 WeakPolarHBondContact CA-O 3.16Å; G205-T365 PolarHBondContact N-OG1 2.98Å
206Q98.1Very high96.2Very high1 Ų120.7 Ų20.71%0.0059%0.092CC..  trans-81156.8174.4-174.9171.5-12.700111.5I202 G203 E208 T365 A366 D390 S415 V417I202-Q206 HydrophobicContact CG2-CB 4.36Å; G203-Q206 WeakPolarHBondContact O-CB 3.39Å; G203-Q206 PolarHBondContact O-N 2.9Å; Q206-E208 PolarHBondContact NE2-OE2 2.85Å; Q206-T365 WeakPolarHBondContact O-CA 3.23Å; Q206-T365 VanDerWaalsContact O-CG2 3.31Å; Q206-T365 WeakPolarHBondContact O-CG2 3.47Å; Q206-A366 PolarHBondContact O-N 3.38Å; Q206-D390 HydrophobicContact CG-CB 3.85Å; Q206-S415 PolarHBondContact NE2-OG 2.81Å; Q206-V417 VanDerWaalsContact CD-CG2 3.48Å; Q206-V417 HydrophobicContact CG-CG2 3.93Å
207R98.4Very high96Very high23 Ų2321.6 Ų21.69%0.08710%0.101CC..BIsolated β-bridgetrans-111.6110.7170-59.2152-60.6179.51.9109.1L349 E350 A352 A366 T389 D390 G391R207-L349 WeakPolarHBondContact CD-O 3.46Å; R207-E350 IonicContact CZ-OE1 3.9Å; R207-E350 IonicContact NH1-OE1 2.98Å; R207-E350 PolarHBondContact NH1-OE1 3.11Å; R207-E350 IonicContact NH1-OE2 2.7Å; R207-E350 PolarHBondContact NH1-OE2 2.88Å; R207-E350 IonicContact NH2-OE1 3.94Å; R207-A352 HydrophobicContact CG-CB 3.87Å; R207-A366 CarbonylContact C-O 3.59Å; R207-A366 WeakPolarHBondContact CA-O 3.46Å; R207-A366 HydrophobicContact CG-CB 4.12Å; R207-T389 HydrophobicContact CB-CG2 4.29Å; R207-T389 WeakPolarHBondContact O-CB 3.43Å; R207-D390 IonicContact CZ-OD1 3.57Å; R207-D390 IonicContact CZ-OD2 3.57Å; R207-D390 PolarHBondContact N-OD2 3.48Å; R207-D390 IonicContact NE-OD1 2.84Å; R207-D390 IonicContact NE-OD2 3.31Å; R207-D390 PolarHBondContact NE-OD2 2.72Å; R207-D390 IonicContact NH2-OD1 3.5Å; R207-D390 PolarHBondContact NH2-OD1 3.21Å; R207-D390 IonicContact NH2-OD2 3.66Å; R207-D390 PolarHBondContact NH2-OD2 3.04Å; R207-D390 WeakPolarHBondContact O-CB 3.34Å; R207-D390 PolarHBondContact O-N 2.8Å; R207-G391 PolarHBondContact O-N 3.12Å
208E98.4Very high96Very high0 Ų021.8 Ų21.80%010%0.101CC..EExtended strand (participates in β ladder)trans-119.4112.9-177.5-165.869.2-163.100110.5V200 I202 Q206 A366 L367 P368 G391 Q392 I393 V414V200-E208 WeakPolarHBondContact CG1-OE1 3.28Å; I202-E208 HydrophobicContact CD1-CB 4Å; I202-E208 HydrophobicContact CD1-CG 3.93Å; I202-E208 HydrophobicContact CG1-CB 4.15Å; I202-E208 HydrophobicContact CG1-CG 3.97Å; I202-E208 HydrophobicContact CG2-CB 4.14Å; Q206-E208 PolarHBondContact NE2-OE2 2.85Å; E208-A366 PolarHBondContact N-O 3.18Å; E208-L367 HydrophobicContact CB-CD2 3.81Å; E208-L367 WeakPolarHBondContact O-CA 3.28Å; E208-P368 WeakPolarHBondContact O-CD 3.44Å; E208-G391 VanDerWaalsContact OE1-C 3.28Å; E208-G391 WeakPolarHBondContact OE2-CA 3.5Å; E208-Q392 PolarHBondContact OE1-N 3.38Å; E208-I393 HydrophobicContact CG-CD1 4.03Å; E208-I393 HydrophobicContact CG-CG1 4.04Å; E208-V414 VanDerWaalsContact OE1-O 3.11Å
209L98.6Very high96Very high0 Ų023.7 Ų23.70%011%0.113CC..EExtended strand (participates in β ladder)trans-73.1129.1-177.317460.6000111.4I211 P368 I370 V385 I386 T389 G391 Q392 I393L209-I211 HydrophobicContact CD1-CB 4.38Å; L209-I211 HydrophobicContact CD2-CB 4.01Å; L209-I211 HydrophobicContact CD2-CD1 4.29Å; L209-I211 HydrophobicContact CD2-CG2 4.04Å; L209-I211 HydrophobicContact CG-CB 3.9Å; L209-I211 HydrophobicContact CG-CG2 4.03Å; L209-P368 HydrophobicContact CB-CG 4.5Å; L209-P368 HydrophobicContact CD1-CB 4.37Å; L209-P368 HydrophobicContact CD1-CG 4.19Å; L209-P368 WeakPolarHBondContact CD1-O 3.41Å; L209-I370 HydrophobicContact CD1-CB 3.91Å; L209-I370 HydrophobicContact CD1-CG1 3.62Å; L209-V385 HydrophobicContact CD1-CG1 3.73Å; L209-V385 HydrophobicContact CD2-CB 4.49Å; L209-V385 HydrophobicContact CD2-CG1 4.11Å; L209-V385 HydrophobicContact CG-CG1 4.42Å; L209-I386 HydrophobicContact CD2-CG1 3.59Å; L209-T389 HydrophobicContact CB-CG2 3.96Å; L209-G391 WeakPolarHBondContact CB-O 3.45Å; L209-G391 PolarHBondContact N-O 3.45Å; L209-Q392 HydrophobicContact CB-CB 3.93Å; L209-Q392 HydrophobicContact CD2-CB 4.22Å; L209-Q392 HydrophobicContact CG-CB 4.3Å; L209-Q392 CarbonylContact O-C 2.97Å; L209-Q392 VanDerWaalsContact O-CA 3.23Å; L209-Q392 WeakPolarHBondContact O-CA 3.23Å; L209-I393 PolarHBondContact O-N 3.43Å
210I98.6Very high96.1Very high0 Ų024.2 Ų24.20%012%0.117CC..EExtended strand (participates in β ladder)trans-99109.9165.8-56.9172.3000107.9K218 I221 L367 P368 V369 I370 I393 L395I210-K218 HydrophobicContact CG2-CB 3.78Å; I210-K218 HydrophobicContact CG2-CD 4.48Å; I210-K218 HydrophobicContact CG2-CG 3.93Å; I210-I221 HydrophobicContact CD1-CB 4.43Å; I210-I221 HydrophobicContact CD1-CG2 3.94Å; I210-L367 HydrophobicContact CD1-CB 4.28Å; I210-P368 PolarHBondContact N-O 2.83Å; I210-V369 HydrophobicContact CB-CG2 4.38Å; I210-V369 CarbonylContact O-C 3.55Å; I210-V369 VanDerWaalsContact O-CA 3.29Å; I210-V369 WeakPolarHBondContact O-CA 3.36Å; I210-I370 PolarHBondContact O-N 3.11Å; I210-I393 HydrophobicContact CG1-CD1 4.45Å; I210-L395 HydrophobicContact CG2-CD1 4.39Å
211I97.8Very high96.2Very high1 Ų124.5 Ų24.51%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-125.8140.8-173.8178.6168.5000110.7L209 I370 T372 V377 P382 I386 Q392 I393 F394 L395L209-I211 HydrophobicContact CD1-CB 4.38Å; L209-I211 HydrophobicContact CD2-CB 4.01Å; L209-I211 HydrophobicContact CD2-CD1 4.29Å; L209-I211 HydrophobicContact CD2-CG2 4.04Å; L209-I211 HydrophobicContact CG-CB 3.9Å; L209-I211 HydrophobicContact CG-CG2 4.03Å; I211-I370 WeakPolarHBondContact CA-O 3.12Å; I211-I370 HydrophobicContact CD1-CG2 4.12Å; I211-I370 HydrophobicContact CG1-CB 4.4Å; I211-I370 HydrophobicContact CG1-CG2 4.17Å; I211-T372 HydrophobicContact CD1-CG2 3.67Å; I211-T372 HydrophobicContact CG1-CG2 3.6Å; I211-V377 HydrophobicContact CD1-CG1 4.39Å; I211-P382 HydrophobicContact CD1-CB 3.87Å; I211-I386 HydrophobicContact CD1-CD1 4.23Å; I211-Q392 HydrophobicContact CG2-CB 4.12Å; I211-I393 PolarHBondContact N-O 3.19Å; I211-F394 HydrophobicContact CG1-CD2 4.34Å; I211-F394 HydrophobicContact CG1-CE2 4.23Å; I211-F394 HydrophobicContact CG2-CB 4.4Å; I211-F394 HydrophobicContact CG2-CD2 3.65Å; I211-F394 HydrophobicContact CG2-CE2 4.38Å; I211-F394 HydrophobicContact CG2-CG 4.48Å; I211-F394 CarbonylContact O-C 3.42Å; I211-F394 WeakPolarHBondContact O-CA 3.48Å; I211-L395 PolarHBondContact O-N 2.76Å
212G96.9Very high96.2Very high0 Ų024.1 Ų24.10%012%0.116CC..EExtended strand (participates in β ladder)trans163.4177.2173.600000112K218 I370 T372 L395G212-K218 PolarHBondContact O-NZ 3.46Å; G212-I370 PolarHBondContact N-O 3.34Å; G212-T372 PolarHBondContact O-N 2.76Å; G212-T372 PolarHBondContact O-OG1 3Å; G212-L395 WeakPolarHBondContact CA-O 3.47Å
213D94.8Very high96.2Very high27 Ų2724 Ų2414%0.14412%0.116CC..  trans-69.8169.1-176.3-75.9-14.3000112.4T216 K218 T372 A374 G375 T397D213-T216 HydrophobicContact CB-CG2 3.9Å; D213-T216 WeakPolarHBondContact O-CG2 3.34Å; D213-T216 PolarHBondContact O-N 3.06Å; D213-T216 PolarHBondContact O-OG1 3.48Å; D213-K218 VanDerWaalsContact C-NZ 3.3Å; D213-K218 PolarHBondContact O-NZ 3.42Å; D213-T372 PolarHBondContact N-OG1 2.89Å; D213-T372 VanDerWaalsContact N-OG1 3.15Å; D213-T372 WeakPolarHBondContact OD1-CB 3.33Å; D213-T372 PolarHBondContact OD1-OG1 2.91Å; D213-A374 PolarHBondContact OD1-N 3.02Å; D213-G375 VanDerWaalsContact CG-N 3.27Å; D213-G375 WeakPolarHBondContact OD1-CA 3.49Å; D213-G375 PolarHBondContact OD1-N 2.98Å; D213-G375 PolarHBondContact OD2-N 2.84Å; D213-G375 VanDerWaalsContact OD2-N 3.07Å; D213-T397 WeakPolarHBondContact CB-OG1 3.42Å; D213-T397 PolarHBondContact OD2-OG1 3.43Å
214R91.8Very high96.2Very high167 Ų16724.5 Ų24.563%0.6312%0.118SC*.THydrogen-bonded Turntrans-54.2141.2173.5-170.7170.7176.9-172.4-2.7110.7T216R214-T216 VanDerWaalsContact C-N 3.28Å; R214-T216 PolarHBondContact O-N 2.66Å
215Q89.1Confident96.2Very high152 Ų15223.4 Ų23.471%0.7111%0.114SC*.THydrogen-bonded Turntrans62.920.1176.2-69.2170.4-11.700116.7
216T92.3Very high96.3Very high3 Ų323.2 Ų23.22%0.01811%0.112CC..SBendtrans-85.8-1.517853.50000115.4D213 R214D213-T216 HydrophobicContact CB-CG2 3.9Å; D213-T216 WeakPolarHBondContact O-CG2 3.34Å; D213-T216 PolarHBondContact O-N 3.06Å; D213-T216 PolarHBondContact O-OG1 3.48Å; R214-T216 VanDerWaalsContact C-N 3.28Å; R214-T216 PolarHBondContact O-N 2.66Å
217G93.2Very high96.3Very high18 Ų1824.2 Ų24.219%0.18612%0.117CC..SBendtrans99.111.7178.900000115.9T219 S220 I221G217-T219 PolarHBondContact O-N 3.02Å; G217-S220 WeakPolarHBondContact O-CB 3.32Å; G217-S220 PolarHBondContact O-N 2.92Å; G217-I221 PolarHBondContact O-N 3.36Å; G217-I221 VanDerWaalsContact O-N 3.17Å
218K96.3Very high96.3Very high13 Ų1323.2 Ų23.26%0.05711%0.113CC..Hα-helixtrans-49.3-55178.7-59-172.4-62.9-92.50113.3I210 G212 D213 S220 I221 A222 V369 L395I210-K218 HydrophobicContact CG2-CB 3.78Å; I210-K218 HydrophobicContact CG2-CD 4.48Å; I210-K218 HydrophobicContact CG2-CG 3.93Å; G212-K218 PolarHBondContact O-NZ 3.46Å; D213-K218 VanDerWaalsContact C-NZ 3.3Å; D213-K218 PolarHBondContact O-NZ 3.42Å; K218-S220 VanDerWaalsContact C-N 3.28Å; K218-S220 PolarHBondContact O-N 3.35Å; K218-I221 PolarHBondContact O-N 3.35Å; K218-A222 PolarHBondContact O-N 2.65Å; K218-V369 HydrophobicContact CB-CG1 3.92Å; K218-V369 HydrophobicContact CD-CG1 3.74Å; K218-V369 HydrophobicContact CG-CG1 4.41Å; K218-L395 HydrophobicContact CB-CD1 4.26Å; K218-L395 HydrophobicContact CG-CD1 3.68Å
219T96.1Very high96.2Very high46 Ų4623.3 Ų23.328%0.28211%0.114SC..Hα-helixtrans-65.9-30179.9-49.60000112.4G217 A222 I223 L259 D312G217-T219 PolarHBondContact O-N 3.02Å; T219-A222 WeakPolarHBondContact O-CB 3.2Å; T219-A222 PolarHBondContact O-N 2.74Å; T219-I223 HydrophobicContact CG2-CD1 3.85Å; T219-I223 HydrophobicContact CG2-CG1 4.27Å; T219-I223 VanDerWaalsContact O-CG1 3.28Å; T219-I223 WeakPolarHBondContact O-CG1 3.49Å; T219-I223 PolarHBondContact O-N 2.86Å; T219-L259 HydrophobicContact CG2-CD1 4.17Å; T219-D312 WeakPolarHBondContact CB-OD2 3.12Å; T219-D312 WeakPolarHBondContact CG2-OD2 3.5Å; T219-D312 PolarHBondContact OG1-OD2 3.28Å
220S95.8Very high96.1Very high19 Ų1926.4 Ų26.413%0.13313%0.127CC..Hα-helixtrans-65.4-42.7176.4-59.20000111.5G217 K218 A222 I223 D224G217-S220 WeakPolarHBondContact O-CB 3.32Å; G217-S220 PolarHBondContact O-N 2.92Å; K218-S220 VanDerWaalsContact C-N 3.28Å; K218-S220 PolarHBondContact O-N 3.35Å; S220-A222 VanDerWaalsContact C-N 3.3Å; S220-A222 PolarHBondContact O-N 3.46Å; S220-I223 PolarHBondContact O-N 3Å; S220-D224 WeakPolarHBondContact O-CB 3.41Å; S220-D224 VanDerWaalsContact O-CG 3.29Å; S220-D224 PolarHBondContact O-N 2.71Å
221I97.2Very high95.8Very high6 Ų630.7 Ų30.73%0.03114%0.143CC..Hα-helixtrans-58.6-44.6175.1-66.6180000110.8I193 I210 G217 K218 T225 I393 L395 P406I193-I221 HydrophobicContact CD1-CB 4.09Å; I193-I221 HydrophobicContact CD1-CG1 4.14Å; I193-I221 HydrophobicContact CD1-CG2 3.77Å; I210-I221 HydrophobicContact CD1-CB 4.43Å; I210-I221 HydrophobicContact CD1-CG2 3.94Å; G217-I221 PolarHBondContact O-N 3.36Å; G217-I221 VanDerWaalsContact O-N 3.17Å; K218-I221 PolarHBondContact O-N 3.35Å; I221-T225 WeakPolarHBondContact O-CB 3.34Å; I221-T225 PolarHBondContact O-N 2.88Å; I221-T225 PolarHBondContact O-OG1 3.36Å; I221-I393 HydrophobicContact CD1-CG2 4.36Å; I221-L395 HydrophobicContact CD1-CD1 3.89Å; I221-L395 HydrophobicContact CD1-CD2 3.74Å; I221-L395 HydrophobicContact CD1-CG 4.34Å; I221-P406 HydrophobicContact CD1-CB 4.29Å; I221-P406 HydrophobicContact CG1-CB 4.47Å
222A97.3Very high95.6Very high0 Ų032.8 Ų32.80%015%0.153CC..Hα-helixtrans-61.3-47.317700000112.9K218 T219 S220 T225 I226 I310K218-A222 PolarHBondContact O-N 2.65Å; T219-A222 WeakPolarHBondContact O-CB 3.2Å; T219-A222 PolarHBondContact O-N 2.74Å; S220-A222 VanDerWaalsContact C-N 3.3Å; S220-A222 PolarHBondContact O-N 3.46Å; A222-T225 WeakPolarHBondContact O-CB 3.31Å; A222-T225 PolarHBondContact O-N 3.42Å; A222-I226 WeakPolarHBondContact O-CG1 3.33Å; A222-I226 PolarHBondContact O-N 2.57Å; A222-I226 VanDerWaalsContact O-N 3.15Å; A222-I310 HydrophobicContact CB-CD1 3.58Å; A222-I310 HydrophobicContact CB-CG2 3.72Å; A222-I310 WeakPolarHBondContact O-CD1 3.39Å
223I97.6Very high95.5Very high2 Ų233.7 Ų33.71%0.0116%0.157CC..Hα-helixtrans-66-45.1179.8-67.2167.8000110.8T219 S220 T225 I226 I227 L259 L263 Y476T219-I223 HydrophobicContact CG2-CD1 3.85Å; T219-I223 HydrophobicContact CG2-CG1 4.27Å; T219-I223 VanDerWaalsContact O-CG1 3.28Å; T219-I223 WeakPolarHBondContact O-CG1 3.49Å; T219-I223 PolarHBondContact O-N 2.86Å; S220-I223 PolarHBondContact O-N 3Å; I223-T225 PolarHBondContact O-N 3.16Å; I223-I226 WeakPolarHBondContact O-CB 3.38Å; I223-I226 PolarHBondContact O-N 3.06Å; I223-I227 HydrophobicContact CG2-CD1 3.68Å; I223-I227 HydrophobicContact CG2-CG1 4.19Å; I223-I227 WeakPolarHBondContact O-CG1 3.08Å; I223-I227 PolarHBondContact O-N 2.92Å; I223-L259 HydrophobicContact CD1-CD1 3.85Å; I223-L259 HydrophobicContact CD1-CG 4.03Å; I223-L259 HydrophobicContact CG1-CD1 4.05Å; I223-L259 HydrophobicContact CG1-CG 4.3Å; I223-L263 HydrophobicContact CG2-CD2 4.06Å; I223-Y476 HydrophobicContact CB-CE1 4.22Å; I223-Y476 HydrophobicContact CD1-CE1 4.35Å; I223-Y476 HydrophobicContact CG2-CD1 3.91Å; I223-Y476 HydrophobicContact CG2-CE1 3.75Å
224D97.6Very high95.5Very high9 Ų937.2 Ų37.25%0.04818%0.176CC..Hα-helixtrans-61.1-38.5179-72.5-7.3000111I193 S220 I226 I227 N228 Y476I193-D224 HydrophobicContact CD1-CB 4.08Å; I193-D224 HydrophobicContact CG1-CB 4.27Å; S220-D224 WeakPolarHBondContact O-CB 3.41Å; S220-D224 VanDerWaalsContact O-CG 3.29Å; S220-D224 PolarHBondContact O-N 2.71Å; D224-I226 VanDerWaalsContact C-N 3.33Å; D224-I226 PolarHBondContact O-N 3.38Å; D224-I227 PolarHBondContact O-N 2.68Å; D224-N228 VanDerWaalsContact O-CB 3.29Å; D224-N228 WeakPolarHBondContact O-CB 3.39Å; D224-N228 PolarHBondContact O-N 3.04Å; D224-Y476 VanDerWaalsContact CG-N 3.35Å; D224-Y476 WeakPolarHBondContact OD1-CA 3.23Å; D224-Y476 WeakPolarHBondContact OD1-CD1 3.34Å; D224-Y476 PolarHBondContact OD1-N 2.79Å; D224-Y476 PolarHBondContact OD2-N 2.94Å
225T98.2Very high95.4Very high0 Ų030.8 Ų30.80%016%0.162CC..Hα-helixtrans-60-41.7173.3-58.10000111.8M189 T191 I221 A222 I223 Q229 L308 L367M189-T225 HydrophobicContact CE-CG2 3.93Å; M189-T225 HydrophobicContact SD-CG2 3.73Å; T191-T225 HydrophobicContact CG2-CG2 4.1Å; I221-T225 WeakPolarHBondContact O-CB 3.34Å; I221-T225 PolarHBondContact O-N 2.88Å; I221-T225 PolarHBondContact O-OG1 3.36Å; A222-T225 WeakPolarHBondContact O-CB 3.31Å; A222-T225 PolarHBondContact O-N 3.42Å; I223-T225 PolarHBondContact O-N 3.16Å; T225-Q229 WeakPolarHBondContact O-CG 3.48Å; T225-Q229 PolarHBondContact O-NE2 3.46Å; T225-L308 HydrophobicContact CG2-CD2 3.58Å; T225-L367 HydrophobicContact CG2-CD1 4.18Å
226I98.4Very high95.4Very high0 Ų030.2 Ų30.20%017%0.169CC..Hα-helixtrans-66.7-48.1176.3-67.9171.2000110.6A222 I223 D224 N228 Q229 C244 Y246 L263 A268 Y271 T272 L308 I310A222-I226 WeakPolarHBondContact O-CG1 3.33Å; A222-I226 PolarHBondContact O-N 2.57Å; A222-I226 VanDerWaalsContact O-N 3.15Å; I223-I226 WeakPolarHBondContact O-CB 3.38Å; I223-I226 PolarHBondContact O-N 3.06Å; D224-I226 VanDerWaalsContact C-N 3.33Å; D224-I226 PolarHBondContact O-N 3.38Å; I226-N228 PolarHBondContact O-N 2.66Å; I226-Q229 PolarHBondContact O-N 2.85Å; I226-Q229 VanDerWaalsContact O-N 3.16Å; I226-C244 HydrophobicContact CD1-CB 4.44Å; I226-C244 HydrophobicContact CG1-CB 4.04Å; I226-C244 HydrophobicContact CG2-CB 4.09Å; I226-Y246 HydrophobicContact CD1-CD2 4.2Å; I226-L263 HydrophobicContact CB-CD2 4.22Å; I226-L263 HydrophobicContact CG2-CD2 3.72Å; I226-A268 HydrophobicContact CG2-CB 4.11Å; I226-Y271 HydrophobicContact CG2-CE2 4.04Å; I226-Y271 WeakPolarHBondContact O-CE2 3.46Å; I226-Y271 PolarHBondContact O-OH 2.87Å; I226-T272 WeakPolarHBondContact CG2-OG1 3.43Å; I226-L308 HydrophobicContact CG1-CD2 4.5Å; I226-I310 HydrophobicContact CD1-CD1 3.74Å; I226-I310 HydrophobicContact CG1-CD1 3.86Å
227I98.1Very high95.4Very high23 Ų2333.2 Ų33.212%0.11819%0.185CC..Hα-helixtrans-60.1-38.9179.9-66172.5000110.3I223 D224 Q229 K230 L263 A266 A268 Y476 P478I223-I227 HydrophobicContact CG2-CD1 3.68Å; I223-I227 HydrophobicContact CG2-CG1 4.19Å; I223-I227 WeakPolarHBondContact O-CG1 3.08Å; I223-I227 PolarHBondContact O-N 2.92Å; D224-I227 PolarHBondContact O-N 2.68Å; I227-Q229 PolarHBondContact O-N 2.82Å; I227-Q229 VanDerWaalsContact O-N 3.13Å; I227-K230 WeakPolarHBondContact O-CB 3.41Å; I227-K230 PolarHBondContact O-N 3.18Å; I227-K230 VanDerWaalsContact O-N 3.16Å; I227-L263 HydrophobicContact CG1-CD2 4.27Å; I227-A266 HydrophobicContact CD1-CB 3.89Å; I227-A266 HydrophobicContact CG1-CB 3.85Å; I227-A266 HydrophobicContact CG2-CB 4.18Å; I227-A268 HydrophobicContact CG1-CB 4.47Å; I227-Y476 HydrophobicContact CD1-CD1 4.06Å; I227-P478 HydrophobicContact CB-CG 4.32Å; I227-P478 HydrophobicContact CG2-CG 3.81Å
228N97.6Very high95.2Very high2 Ų236.3 Ų36.31%0.01120%0.195CC..Hα-helixtrans-57.2-30.4179.4-170.856.1000113.3Q190 T191 G192 D224 I226 K230 R231 P478Q190-N228 PolarHBondContact O-ND2 3.04Å; T191-N228 VanDerWaalsContact O-CB 3.25Å; T191-N228 WeakPolarHBondContact O-CB 2.95Å; G192-N228 WeakPolarHBondContact CA-OD1 3.16Å; G192-N228 PolarHBondContact N-ND2 2.78Å; D224-N228 VanDerWaalsContact O-CB 3.29Å; D224-N228 WeakPolarHBondContact O-CB 3.39Å; D224-N228 PolarHBondContact O-N 3.04Å; I226-N228 PolarHBondContact O-N 2.66Å; N228-K230 PolarHBondContact O-N 2.92Å; N228-R231 VanDerWaalsContact O-CG 3.28Å; N228-R231 WeakPolarHBondContact O-CG 3.33Å; N228-R231 PolarHBondContact O-NE 2.81Å; N228-R231 PolarHBondContact OD1-NE 3.12Å; N228-R231 PolarHBondContact OD1-NH2 3.47Å; N228-P478 HydrophobicContact CB-CB 3.77Å; N228-P478 HydrophobicContact CB-CG 4.26Å
229Q97Very high94.9Very high2 Ų243.5 Ų43.51%0.00923%0.226CC..THydrogen-bonded Turntrans-71.7-16.5-176.7-52.4-45.8-46.400113.9Q190 T225 I226 I227 R231 F232 N233 L242 Y271Q190-Q229 PolarHBondContact O-NE2 3.31Å; T225-Q229 WeakPolarHBondContact O-CG 3.48Å; T225-Q229 PolarHBondContact O-NE2 3.46Å; I226-Q229 PolarHBondContact O-N 2.85Å; I226-Q229 VanDerWaalsContact O-N 3.16Å; I227-Q229 PolarHBondContact O-N 2.82Å; I227-Q229 VanDerWaalsContact O-N 3.13Å; Q229-R231 PolarHBondContact O-N 2.93Å; Q229-R231 VanDerWaalsContact O-N 3.16Å; Q229-F232 PolarHBondContact O-N 2.79Å; Q229-N233 PolarHBondContact O-N 3.14Å; Q229-L242 HydrophobicContact CB-CB 4.44Å; Q229-L242 VanDerWaalsContact CD-CD2 3.46Å; Q229-L242 HydrophobicContact CG-CB 4.17Å; Q229-L242 HydrophobicContact CG-CD2 3.75Å; Q229-L242 HydrophobicContact CG-CG 4.41Å; Q229-Y271 HydrophobicContact CB-CE2 3.97Å
230K96Very high94.7Very high64 Ų6446.8 Ų46.828%0.27824%0.236SC..Hα-helixtrans-50.9-42.3178.1-178.7177.5-179.1-179.80111.9I227 N228 F232 N233 D234 D267 Y271I227-K230 WeakPolarHBondContact O-CB 3.41Å; I227-K230 PolarHBondContact O-N 3.18Å; I227-K230 VanDerWaalsContact O-N 3.16Å; N228-K230 PolarHBondContact O-N 2.92Å; K230-F232 PolarHBondContact O-N 2.97Å; K230-F232 VanDerWaalsContact O-N 3.08Å; K230-N233 PolarHBondContact O-N 3.37Å; K230-N233 VanDerWaalsContact O-N 3.13Å; K230-D234 WeakPolarHBondContact CE-OD2 3.05Å; K230-D234 VanDerWaalsContact CG-OD2 3.27Å; K230-D234 WeakPolarHBondContact CG-OD2 3.33Å; K230-D234 WeakPolarHBondContact O-CB 3.45Å; K230-D234 PolarHBondContact O-N 3.35Å; K230-D267 HydrophobicContact CD-CB 4.41Å; K230-D267 IonicContact NZ-OD2 2.79Å; K230-D267 PolarHBondContact NZ-OD2 3.04Å; K230-Y271 HydrophobicContact CB-CE1 4.19Å; K230-Y271 PolarHBondContact N-OH 3.38Å; K230-Y271 VanDerWaalsContact N-OH 3.14Å
231R92.3Very high94.7Very high90 Ų9047.6 Ų47.634%0.3424%0.237SC..Hα-helixtrans-56.3-28.4179.475.9-173.767-128.56.8113.9N228 Q229 P478N228-R231 VanDerWaalsContact O-CG 3.28Å; N228-R231 WeakPolarHBondContact O-CG 3.33Å; N228-R231 PolarHBondContact O-NE 2.81Å; N228-R231 PolarHBondContact OD1-NE 3.12Å; N228-R231 PolarHBondContact OD1-NH2 3.47Å; Q229-R231 PolarHBondContact O-N 2.93Å; Q229-R231 VanDerWaalsContact O-N 3.16Å; R231-P478 PolarHBondContact NH2-O 3.14Å
232F93.9Very high94.7Very high45 Ų4547.3 Ų47.320%0.19724%0.236CC..Hα-helixtrans-95.1-36.9178.3-59.4-64.1000111.7Q190 Q229 K230 G235 K240Q190-F232 VanDerWaalsContact OE1-CZ 3.28Å; Q229-F232 PolarHBondContact O-N 2.79Å; K230-F232 PolarHBondContact O-N 2.97Å; K230-F232 VanDerWaalsContact O-N 3.08Å; F232-G235 PolarHBondContact O-N 2.88Å; F232-G235 VanDerWaalsContact O-N 3.17Å; F232-K240 HydrophobicContact CB-CB 4.41Å; F232-K240 HydrophobicContact CD1-CB 4.24Å
233N95.3Very high94.8Very high19 Ų1948.1 Ų48.110%0.10224%0.239CC..Hα-helixtrans-72.1-29.6-178.6-73.2-28.7000113.7Q229 K230 G235 K241 L242 Y271Q229-N233 PolarHBondContact O-N 3.14Å; K230-N233 PolarHBondContact O-N 3.37Å; K230-N233 VanDerWaalsContact O-N 3.13Å; N233-G235 PolarHBondContact O-N 3.43Å; N233-K241 VanDerWaalsContact OD1-CA 3.23Å; N233-K241 WeakPolarHBondContact OD1-CA 3.45Å; N233-K241 WeakPolarHBondContact OD1-CB 3.48Å; N233-L242 PolarHBondContact ND2-O 3.02Å; N233-L242 PolarHBondContact OD1-N 2.83Å; N233-L242 PolarHBondContact OD1-O 2.77Å; N233-Y271 HydrophobicContact CB-CD1 3.8Å; N233-Y271 HydrophobicContact CB-CE1 4.17Å; N233-Y271 HydrophobicContact CB-CG 4.23Å; N233-Y271 VanDerWaalsContact ND2-CD1 3.35Å; N233-Y271 WeakPolarHBondContact ND2-CD1 3.1Å; N233-Y271 WeakPolarHBondContact ND2-CD2 3.44Å; N233-Y271 WeakPolarHBondContact ND2-CE2 3.09Å
234D93.4Very high94.8Very high102 Ų10248 Ų4855%0.54524%0.239SC..THydrogen-bonded Turntrans-72.1-13.7171.8-70.2-11.8000112.3K230K230-D234 WeakPolarHBondContact CE-OD2 3.05Å; K230-D234 VanDerWaalsContact CG-OD2 3.27Å; K230-D234 WeakPolarHBondContact CG-OD2 3.33Å; K230-D234 WeakPolarHBondContact O-CB 3.45Å; K230-D234 PolarHBondContact O-N 3.35Å
235G91.2Very high94.9Very high32 Ų3247.6 Ų47.633%0.3324%0.237SC..SBendtrans-78.9172.8176.300000113.9F232 N233 K241F232-G235 PolarHBondContact O-N 2.88Å; F232-G235 VanDerWaalsContact O-N 3.17Å; N233-G235 PolarHBondContact O-N 3.43Å; G235-K241 WeakPolarHBondContact O-CE 3.31Å; G235-K241 PolarHBondContact O-NZ 3.5Å
236T89.3Confident94.9Very high140 Ų14047.9 Ų47.986%0.85924%0.237SC*.SBendtrans-90.3-16178.652.40000113.8E238T236-E238 PolarHBondContact O-N 3.12Å
237D91.8Very high94.9Very high65 Ų6547.9 Ų47.935%0.34824%0.237SC..  trans-83.799.3-174.9-175.7-2.4000111.9K239 K240 K241D237-K239 PolarHBondContact O-N 2.69Å; D237-K239 WeakPolarHBondContact OD1-CB 3.33Å; D237-K239 PolarHBondContact OD1-N 3.12Å; D237-K240 HydrophobicContact CB-CB 4.37Å; D237-K240 HydrophobicContact CB-CD 4.22Å; D237-K240 HydrophobicContact CB-CG 4.38Å; D237-K240 PolarHBondContact O-N 2.75Å; D237-K240 VanDerWaalsContact OD2-CD 3.25Å; D237-K240 WeakPolarHBondContact OD2-CD 3.03Å; D237-K240 WeakPolarHBondContact OD2-CE 3.45Å; D237-K240 WeakPolarHBondContact OD2-CG 3.33Å; D237-K240 IonicContact OD2-NZ 3.42Å; D237-K241 PolarHBondContact O-N 3.48Å
238E89.4Confident94.9Very high83 Ų8346.8 Ų46.839%0.38823%0.232SC..THydrogen-bonded Turntrans-55.2-31177.7-71.7-62.1136.700113.6T236 K240 K241 Y243 K305T236-E238 PolarHBondContact O-N 3.12Å; E238-K240 PolarHBondContact O-N 2.8Å; E238-K241 PolarHBondContact O-N 2.97Å; E238-K241 WeakPolarHBondContact OE1-CD 3.42Å; E238-K241 WeakPolarHBondContact OE1-CE 3.46Å; E238-K241 IonicContact OE1-NZ 3.54Å; E238-K241 PolarHBondContact OE1-NZ 3.34Å; E238-Y243 PolarHBondContact OE2-OH 3.1Å; E238-K305 IonicContact OE2-NZ 3.09Å
239K90.2Very high95Very high165 Ų16546.7 Ų46.772%0.71723%0.231SC*.THydrogen-bonded Turntrans-69.7-24.6178.9-64.2-172.7177.6-175.70111.9R204 D237 H306R204-K239 PolarHBondContact NH1-O 3.42Å; D237-K239 PolarHBondContact O-N 2.69Å; D237-K239 WeakPolarHBondContact OD1-CB 3.33Å; D237-K239 PolarHBondContact OD1-N 3.12Å; K239-H306 PolarHBondContact O-CD2 3.3Å; K239-H306 PolarHBondContact O-NE2 3.35Å
240K91.4Very high94.9Very high114 Ų11447.1 Ų47.150%0.49624%0.236SC..THydrogen-bonded Turntrans-88-23.3177.9-70.6177.7-173.6168.70112.6R204 F232 D237 E238R204-K240 PolarHBondContact NH2-O 3.49Å; F232-K240 HydrophobicContact CB-CB 4.41Å; F232-K240 HydrophobicContact CD1-CB 4.24Å; D237-K240 HydrophobicContact CB-CB 4.37Å; D237-K240 HydrophobicContact CB-CD 4.22Å; D237-K240 HydrophobicContact CB-CG 4.38Å; D237-K240 PolarHBondContact O-N 2.75Å; D237-K240 VanDerWaalsContact OD2-CD 3.25Å; D237-K240 WeakPolarHBondContact OD2-CD 3.03Å; D237-K240 WeakPolarHBondContact OD2-CE 3.45Å; D237-K240 WeakPolarHBondContact OD2-CG 3.33Å; D237-K240 IonicContact OD2-NZ 3.42Å; E238-K240 PolarHBondContact O-N 2.8Å
241K95.8Very high95Very high36 Ų3645.4 Ų45.416%0.15723%0.23CC..  trans-58.7149.1178.6-63.6-165.6-178.1171.30112N233 G235 D237 E238N233-K241 VanDerWaalsContact OD1-CA 3.23Å; N233-K241 WeakPolarHBondContact OD1-CA 3.45Å; N233-K241 WeakPolarHBondContact OD1-CB 3.48Å; G235-K241 WeakPolarHBondContact O-CE 3.31Å; G235-K241 PolarHBondContact O-NZ 3.5Å; D237-K241 PolarHBondContact O-N 3.48Å; E238-K241 PolarHBondContact O-N 2.97Å; E238-K241 WeakPolarHBondContact OE1-CD 3.42Å; E238-K241 WeakPolarHBondContact OE1-CE 3.46Å; E238-K241 IonicContact OE1-NZ 3.54Å; E238-K241 PolarHBondContact OE1-NZ 3.34Å
242L97Very high95.1Very high0 Ų047.8 Ų47.80%024%0.242CC..  trans-139.1116.6178.1-168.272.4000109.2M189 Q229 N233 H306 L308M189-L242 HydrophobicContact CG-CD2 3.8Å; M189-L242 HydrophobicContact SD-CD2 4.18Å; Q229-L242 HydrophobicContact CB-CB 4.44Å; Q229-L242 VanDerWaalsContact CD-CD2 3.46Å; Q229-L242 HydrophobicContact CG-CB 4.17Å; Q229-L242 HydrophobicContact CG-CD2 3.75Å; Q229-L242 HydrophobicContact CG-CG 4.41Å; N233-L242 PolarHBondContact ND2-O 3.02Å; N233-L242 PolarHBondContact OD1-N 2.83Å; N233-L242 PolarHBondContact OD1-O 2.77Å; L242-H306 WeakPolarHBondContact CA-O 3.18Å; L242-H306 HydrophobicContact CD1-CB 3.6Å; L242-L308 HydrophobicContact CD1-CB 4.5Å; L242-L308 HydrophobicContact CD2-CB 3.83Å; L242-L308 HydrophobicContact CD2-CD2 4.36Å; L242-L308 HydrophobicContact CG-CB 4.1Å
243Y98.4Very high95.2Very high17 Ų1753.8 Ų53.87%0.06726%0.263CS..EExtended strand (participates in β ladder)trans-88.5131.9178.3-60.5-84.7000110.2L147 E238 F300 K305 H306 A307 L308L147-Y243 HydrophobicContact CD1-CD1 3.8Å; L147-Y243 HydrophobicContact CD1-CE1 3.75Å; L147-Y243 HydrophobicContact CD2-CD1 3.85Å; E238-Y243 PolarHBondContact OE2-OH 3.1Å; Y243-F300 HydrophobicContact CD1-CD1 4.15Å; Y243-F300 AromaticContact CD1-CE1 3.74Å; Y243-F300 HydrophobicContact CD1-CE1 3.74Å; Y243-F300 HydrophobicContact CD1-CZ 4.31Å; Y243-F300 HydrophobicContact CD2-CB 4.47Å; Y243-F300 AromaticContact CD2-CD1 3.51Å; Y243-F300 HydrophobicContact CD2-CD1 3.51Å; Y243-F300 AromaticContact CD2-CE1 3.98Å; Y243-F300 HydrophobicContact CD2-CE1 3.98Å; Y243-F300 HydrophobicContact CD2-CG 4.12Å; Y243-F300 HydrophobicContact CE1-CE1 4.15Å; Y243-F300 HydrophobicContact CE2-CD1 4.02Å; Y243-F300 HydrophobicContact CE2-CE1 4.4Å; Y243-F300 AromaticContact CG-CD1 3.57Å; Y243-F300 HydrophobicContact CG-CD1 3.57Å; Y243-F300 AromaticContact CG-CE1 3.61Å; Y243-F300 HydrophobicContact CG-CE1 3.61Å; Y243-F300 HydrophobicContact CG-CG 4.15Å; Y243-F300 HydrophobicContact CG-CZ 4.23Å; Y243-K305 HydrophobicContact CD2-CB 4.2Å; Y243-K305 HydrophobicContact CD2-CD 4.4Å; Y243-K305 HydrophobicContact CE2-CB 3.99Å; Y243-K305 HydrophobicContact CE2-CD 3.62Å; Y243-K305 HydrophobicContact CE2-CG 4.12Å; Y243-K305 PolarHBondContact OH-NZ 2.96Å; Y243-H306 WeakPolarHBondContact CD2-O 3.22Å; Y243-H306 PolarHBondContact N-O 3.03Å; Y243-A307 CarbonylContact O-C 3.54Å; Y243-A307 WeakPolarHBondContact O-CA 3.49Å; Y243-A307 WeakPolarHBondContact O-CB 3.38Å; Y243-L308 PolarHBondContact O-N 3.4Å
244C98.7Very high95.2Very high1 Ų156.3 Ų56.31%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-105.3141.3-171.7-65.90000111.2I226 Y271 T272 I273 L308I226-C244 HydrophobicContact CD1-CB 4.44Å; I226-C244 HydrophobicContact CG1-CB 4.04Å; I226-C244 HydrophobicContact CG2-CB 4.09Å; C244-Y271 HydrophobicContact CB-CD2 4.29Å; C244-Y271 PolarHBondContact N-O 2.9Å; C244-T272 HydrophobicContact CB-CG2 3.99Å; C244-T272 CarbonylContact O-C 3.54Å; C244-T272 VanDerWaalsContact O-CA 3.24Å; C244-T272 WeakPolarHBondContact O-CA 3.38Å; C244-I273 PolarHBondContact O-N 2.81Å; C244-L308 CarbonylContact C-O 3.45Å; C244-L308 WeakPolarHBondContact CA-O 3.23Å
245I98.8Very high95.3Very high0 Ų054.3 Ų54.30%027%0.274CS..EExtended strand (participates in β ladder)trans-128.2118.8173.4-58.188.5000107.1V247 I273 V275 F300 A307 L308 I309 I310I245-V247 HydrophobicContact CG2-CG2 4.1Å; I245-I273 CarbonylContact C-O 3.47Å; I245-I273 WeakPolarHBondContact CA-O 3.11Å; I245-I273 HydrophobicContact CG1-CB 4.34Å; I245-I273 HydrophobicContact CG1-CD1 4.32Å; I245-V275 HydrophobicContact CG2-CG2 4.35Å; I245-F300 HydrophobicContact CD1-CD2 4.43Å; I245-A307 HydrophobicContact CD1-CB 3.99Å; I245-L308 PolarHBondContact N-O 3.32Å; I245-I309 HydrophobicContact CB-CB 4.31Å; I245-I309 HydrophobicContact CB-CD1 4.33Å; I245-I309 HydrophobicContact CB-CG1 4.1Å; I245-I309 HydrophobicContact CG2-CD1 4.07Å; I245-I309 HydrophobicContact CG2-CG1 4.17Å; I245-I309 CarbonylContact O-C 3.49Å; I245-I309 WeakPolarHBondContact O-CA 3.48Å; I245-I310 PolarHBondContact O-N 3.27Å
246Y98.8Very high95.6Very high5 Ų553.3 Ų53.32%0.0226%0.262CS..EExtended strand (participates in β ladder)trans-109.5115.9175.5-174.8-86.3000109.6I226 A248 L259 I273 V274 V275 I310 D312I226-Y246 HydrophobicContact CD1-CD2 4.2Å; Y246-A248 HydrophobicContact CD1-CB 4.43Å; Y246-A248 HydrophobicContact CE1-CB 3.98Å; Y246-L259 HydrophobicContact CD1-CD1 4.07Å; Y246-L259 HydrophobicContact CD1-CD2 4.04Å; Y246-L259 HydrophobicContact CD2-CD1 4.34Å; Y246-L259 HydrophobicContact CE1-CD1 3.41Å; Y246-L259 VanDerWaalsContact CE1-CD1 3.41Å; Y246-L259 HydrophobicContact CE1-CD2 4.16Å; Y246-L259 HydrophobicContact CE1-CG 4.46Å; Y246-L259 HydrophobicContact CE2-CD1 3.76Å; Y246-L259 HydrophobicContact CG-CD1 4.48Å; Y246-L259 HydrophobicContact CG-CD2 4.39Å; Y246-L259 WeakPolarHBondContact OH-CD1 3.34Å; Y246-I273 PolarHBondContact N-O 2.87Å; Y246-V274 HydrophobicContact CD1-CG1 4.39Å; Y246-V274 CarbonylContact O-C 3.47Å; Y246-V274 WeakPolarHBondContact O-CA 3.32Å; Y246-V275 PolarHBondContact O-N 3.11Å; Y246-I310 HydrophobicContact CD2-CB 3.99Å; Y246-I310 HydrophobicContact CD2-CD1 4.42Å; Y246-I310 HydrophobicContact CD2-CG2 4.01Å; Y246-I310 HydrophobicContact CE2-CG2 4.03Å; Y246-D312 HydrophobicContact CE1-CB 4.41Å; Y246-D312 HydrophobicContact CE2-CB 4.11Å; Y246-D312 VanDerWaalsContact OH-CB 3.28Å; Y246-D312 WeakPolarHBondContact OH-CB 3.45Å; Y246-D312 PolarHBondContact OH-OD2 3.49Å
247V98.8Very high96Very high0 Ų049.6 Ų49.60%025%0.245CC..EExtended strand (participates in β ladder)trans-103106.6-179.7-170.20000109.3I245 I249 V275 A289 P290 I309 I310 Y311 D312I245-V247 HydrophobicContact CG2-CG2 4.1Å; V247-I249 HydrophobicContact CG1-CD1 4.32Å; V247-I249 HydrophobicContact CG1-CG1 3.87Å; V247-V275 CarbonylContact C-O 3.57Å; V247-V275 WeakPolarHBondContact CA-O 3.39Å; V247-V275 HydrophobicContact CG1-CB 4.25Å; V247-V275 HydrophobicContact CG1-CG1 4.37Å; V247-V275 HydrophobicContact CG2-CB 4.32Å; V247-A289 HydrophobicContact CG1-CB 4Å; V247-P290 HydrophobicContact CG1-CG 4.39Å; V247-I309 HydrophobicContact CG2-CD1 4.04Å; V247-I309 HydrophobicContact CG2-CG1 4.15Å; V247-I310 WeakPolarHBondContact CB-O 3.47Å; V247-I310 PolarHBondContact N-O 2.63Å; V247-Y311 HydrophobicContact CB-CD1 4.16Å; V247-Y311 HydrophobicContact CG2-CD1 4.03Å; V247-Y311 HydrophobicContact CG2-CE1 4.32Å; V247-D312 PolarHBondContact O-N 2.67Å
248A98.4Very high96.2Very high0 Ų051.6 Ų51.60%025%0.253CS..EExtended strand (participates in β ladder)trans-87.9115.4174.300000110.3Y246 Q251 V256 V275 A277Y246-A248 HydrophobicContact CD1-CB 4.43Å; Y246-A248 HydrophobicContact CE1-CB 3.98Å; A248-Q251 HydrophobicContact CB-CB 4.37Å; A248-Q251 HydrophobicContact CB-CG 4.16Å; A248-V256 HydrophobicContact CB-CG2 3.7Å; A248-V275 PolarHBondContact N-O 3.35Å; A248-A277 PolarHBondContact O-N 3.43Å
249I98.4Very high96.6Very high0 Ų048 Ų480%024%0.236CC..EExtended strand (participates in β ladder)trans-117120.7-175.2-50.6151000108.2V247 Q251 A277 Q286 P290 D312 D313 L314 K316 Q317V247-I249 HydrophobicContact CG1-CD1 4.32Å; V247-I249 HydrophobicContact CG1-CG1 3.87Å; I249-Q251 PolarHBondContact O-N 3.04Å; I249-A277 CarbonylContact C-O 3.57Å; I249-Q286 HydrophobicContact CG2-CB 4.21Å; I249-P290 HydrophobicContact CD1-CG 3.47Å; I249-P290 VanDerWaalsContact CD1-CG 3.47Å; I249-P290 HydrophobicContact CG1-CG 3.87Å; I249-D312 PolarHBondContact N-O 3.11Å; I249-D313 VanDerWaalsContact CD1-O 3.3Å; I249-D313 WeakPolarHBondContact CD1-O 3.49Å; I249-L314 HydrophobicContact CD1-CD2 4.12Å; I249-K316 HydrophobicContact CG2-CB 4.17Å; I249-K316 WeakPolarHBondContact O-CD 3.28Å; I249-Q317 HydrophobicContact CG2-CB 4.23Å
250G96.6Very high96.9Very high11 Ų1141.5 Ų41.511%0.11321%0.21CC..EExtended strand (participates in β ladder)trans56.321.8179.400000114.1A277G250-A277 PolarHBondContact N-O 3.27Å
251Q96.5Very high97.2Very high29 Ų2942.4 Ų42.414%0.13621%0.214CC..EExtended strand (participates in β ladder)trans-80.8157.2177.3-60.4-61.9-2000110.6A248 I249 V256 T278 A279 D312A248-Q251 HydrophobicContact CB-CB 4.37Å; A248-Q251 HydrophobicContact CB-CG 4.16Å; I249-Q251 PolarHBondContact O-N 3.04Å; Q251-V256 HydrophobicContact CB-CG2 3.91Å; Q251-T278 CarbonylContact O-C 3.59Å; Q251-T278 VanDerWaalsContact O-CA 3.28Å; Q251-T278 WeakPolarHBondContact O-CA 3.44Å; Q251-T278 WeakPolarHBondContact O-CB 3.42Å; Q251-A279 PolarHBondContact O-N 2.95Å; Q251-D312 WeakPolarHBondContact CG-O 3.35Å; Q251-D312 PolarHBondContact NE2-O 3.06Å; Q251-D312 PolarHBondContact NE2-OD1 3.49Å
252K96.1Very high97.3Very high139 Ų13945.6 Ų45.660%0.60423%0.225SC*.  trans-68.6137.9172.3-65.5-176179.7-174.40109.6S254 T255 V256K252-S254 PolarHBondContact O-N 3.42Å; K252-T255 WeakPolarHBondContact O-CB 3.13Å; K252-T255 PolarHBondContact O-N 3.35Å; K252-V256 PolarHBondContact O-N 3.39Å; K252-V256 VanDerWaalsContact O-N 3.15Å
253R94.9Very high97.3Very high171 Ų17145.6 Ų45.665%0.64523%0.225SC*.Hα-helixtrans-54.5-39.2178.7-169.1178.2-66.8177.3-1.5112.7T255 V256 A257 T278R253-T255 PolarHBondContact O-N 2.69Å; R253-V256 PolarHBondContact O-N 3.17Å; R253-A257 PolarHBondContact O-N 3.46Å; R253-T278 HydrophobicContact CB-CG2 4.22Å
254S96.2Very high97.2Very high73 Ų7348.4 Ų48.451%0.5124%0.244SC..Hα-helixtrans-63.4-38.2176.353.90000113.2K252 A257 Q258K252-S254 PolarHBondContact O-N 3.42Å; S254-A257 PolarHBondContact O-N 3.24Å; S254-Q258 WeakPolarHBondContact O-CG 3.45Å; S254-Q258 PolarHBondContact O-N 3.34Å
255T95.6Very high97.1Very high60 Ų6053.8 Ų53.837%0.36827%0.273SS..Hα-helixtrans-65.8-43176.4-56.90000111K252 R253 Q258 L259K252-T255 WeakPolarHBondContact O-CB 3.13Å; K252-T255 PolarHBondContact O-N 3.35Å; R253-T255 PolarHBondContact O-N 2.69Å; T255-Q258 PolarHBondContact O-N 3.15Å; T255-L259 WeakPolarHBondContact O-CB 3.37Å; T255-L259 PolarHBondContact O-N 3.38Å
256V96.8Very high97Very high11 Ų1155 Ų557%0.06728%0.283CS..Hα-helixtrans-63.5-44.4175.8-1780000110.8A248 Q251 K252 R253 Q258 L259 V260 V274A248-V256 HydrophobicContact CB-CG2 3.7Å; Q251-V256 HydrophobicContact CB-CG2 3.91Å; K252-V256 PolarHBondContact O-N 3.39Å; K252-V256 VanDerWaalsContact O-N 3.15Å; R253-V256 PolarHBondContact O-N 3.17Å; V256-Q258 PolarHBondContact O-N 2.9Å; V256-L259 WeakPolarHBondContact O-CB 3.28Å; V256-L259 PolarHBondContact O-N 2.76Å; V256-L259 VanDerWaalsContact O-N 3.15Å; V256-V260 HydrophobicContact CG1-CG2 4.4Å; V256-V260 WeakPolarHBondContact O-CG2 3.42Å; V256-V260 PolarHBondContact O-N 3.13Å; V256-V274 HydrophobicContact CG1-CG1 4.32Å
257A96.8Very high96.9Very high61 Ų6157.1 Ų57.150%0.50429%0.294SS..Hα-helixtrans-60.7-42.4177.100000112.5R253 S254 L259 V260 K261R253-A257 PolarHBondContact O-N 3.46Å; S254-A257 PolarHBondContact O-N 3.24Å; A257-L259 VanDerWaalsContact C-N 3.33Å; A257-L259 PolarHBondContact O-N 3.27Å; A257-V260 PolarHBondContact O-N 3Å; A257-K261 WeakPolarHBondContact O-CB 3.47Å; A257-K261 PolarHBondContact O-N 3.08Å
258Q96.9Very high96.9Very high108 Ų10857.1 Ų57.151%0.50529%0.294SS..Hα-helixtrans-63.2-38.8174.4-74175.2-000112.2S254 T255 V256 K261 R262S254-Q258 WeakPolarHBondContact O-CG 3.45Å; S254-Q258 PolarHBondContact O-N 3.34Å; T255-Q258 PolarHBondContact O-N 3.15Å; V256-Q258 PolarHBondContact O-N 2.9Å; Q258-K261 PolarHBondContact O-N 2.95Å; Q258-R262 WeakPolarHBondContact O-CG 3.26Å; Q258-R262 PolarHBondContact O-N 3.16Å
259L96.9Very high96.8Very high6 Ų657.8 Ų57.83%0.03130%0.297CS..Hα-helixtrans-64.4-48.9176.2-179.9151.8000111.5T219 I223 Y246 T255 V256 A257 K261 R262 L263T219-L259 HydrophobicContact CG2-CD1 4.17Å; I223-L259 HydrophobicContact CD1-CD1 3.85Å; I223-L259 HydrophobicContact CD1-CG 4.03Å; I223-L259 HydrophobicContact CG1-CD1 4.05Å; I223-L259 HydrophobicContact CG1-CG 4.3Å; Y246-L259 HydrophobicContact CD1-CD1 4.07Å; Y246-L259 HydrophobicContact CD1-CD2 4.04Å; Y246-L259 HydrophobicContact CD2-CD1 4.34Å; Y246-L259 HydrophobicContact CE1-CD1 3.41Å; Y246-L259 VanDerWaalsContact CE1-CD1 3.41Å; Y246-L259 HydrophobicContact CE1-CD2 4.16Å; Y246-L259 HydrophobicContact CE1-CG 4.46Å; Y246-L259 HydrophobicContact CE2-CD1 3.76Å; Y246-L259 HydrophobicContact CG-CD1 4.48Å; Y246-L259 HydrophobicContact CG-CD2 4.39Å; Y246-L259 WeakPolarHBondContact OH-CD1 3.34Å; T255-L259 WeakPolarHBondContact O-CB 3.37Å; T255-L259 PolarHBondContact O-N 3.38Å; V256-L259 WeakPolarHBondContact O-CB 3.28Å; V256-L259 PolarHBondContact O-N 2.76Å; V256-L259 VanDerWaalsContact O-N 3.15Å; A257-L259 VanDerWaalsContact C-N 3.33Å; A257-L259 PolarHBondContact O-N 3.27Å; L259-K261 VanDerWaalsContact C-N 3.26Å; L259-K261 PolarHBondContact O-N 2.93Å; L259-R262 PolarHBondContact O-N 3.45Å; L259-R262 VanDerWaalsContact O-N 3.15Å; L259-L263 HydrophobicContact CD2-CD1 3.63Å; L259-L263 HydrophobicContact CD2-CG 4.22Å; L259-L263 WeakPolarHBondContact O-CG 3.3Å; L259-L263 PolarHBondContact O-N 2.69Å
260V97.5Very high96.7Very high29 Ų2964 Ų6418%0.17633%0.325CS..Hα-helixtrans-58.9-41.6176.8172.90000110.5V150 V256 A257 L263 T264 M269 V274V150-V260 HydrophobicContact CG2-CG1 4.13Å; V150-V260 HydrophobicContact CG2-CG2 3.87Å; V256-V260 HydrophobicContact CG1-CG2 4.4Å; V256-V260 WeakPolarHBondContact O-CG2 3.42Å; V256-V260 PolarHBondContact O-N 3.13Å; A257-V260 PolarHBondContact O-N 3Å; V260-L263 PolarHBondContact O-N 2.72Å; V260-T264 WeakPolarHBondContact O-CB 3.41Å; V260-T264 PolarHBondContact O-N 3.3Å; V260-T264 PolarHBondContact O-OG1 2.93Å; V260-M269 HydrophobicContact CG1-CE 4.33Å; V260-M269 HydrophobicContact CG1-SD 4.34Å; V260-V274 HydrophobicContact CG2-CG1 4.27Å; V260-V274 HydrophobicContact CG2-CG2 4.23Å
261K97.4Very high96.8Very high134 Ų13464 Ų6458%0.58332%0.321SS*.Hα-helixtrans-59-50.8174.1-177.6177.9177.2-1790111.5A257 Q258 L259 L263 T264 D265A257-K261 WeakPolarHBondContact O-CB 3.47Å; A257-K261 PolarHBondContact O-N 3.08Å; Q258-K261 PolarHBondContact O-N 2.95Å; L259-K261 VanDerWaalsContact C-N 3.26Å; L259-K261 PolarHBondContact O-N 2.93Å; K261-L263 VanDerWaalsContact C-N 3.34Å; K261-L263 PolarHBondContact O-N 2.89Å; K261-T264 CarbonylContact O-C 3.52Å; K261-T264 WeakPolarHBondContact O-CA 3.48Å; K261-T264 WeakPolarHBondContact O-CB 3.47Å; K261-T264 PolarHBondContact O-N 3.29Å; K261-D265 PolarHBondContact O-N 3.16Å
262R96.8Very high96.9Very high103 Ų10362.6 Ų62.639%0.38932%0.315SS..Hα-helixtrans-58.5-43.6178.6-73.3175.1-173.81635.5112.6Q258 L259 T264 D265 A266 Y476Q258-R262 WeakPolarHBondContact O-CG 3.26Å; Q258-R262 PolarHBondContact O-N 3.16Å; L259-R262 PolarHBondContact O-N 3.45Å; L259-R262 VanDerWaalsContact O-N 3.15Å; R262-T264 VanDerWaalsContact C-N 3.26Å; R262-T264 PolarHBondContact O-N 2.79Å; R262-D265 PolarHBondContact O-N 3.13Å; R262-A266 WeakPolarHBondContact O-CB 3.4Å; R262-A266 PolarHBondContact O-N 2.64Å; R262-Y476 PolarHBondContact NH1-OH 3.22Å
263L97.6Very high97Very high0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-65.5-31.8175.7-68.7-178.4000112I223 I226 I227 L259 V260 K261 D267 A268 M269 T272I223-L263 HydrophobicContact CG2-CD2 4.06Å; I226-L263 HydrophobicContact CB-CD2 4.22Å; I226-L263 HydrophobicContact CG2-CD2 3.72Å; I227-L263 HydrophobicContact CG1-CD2 4.27Å; L259-L263 HydrophobicContact CD2-CD1 3.63Å; L259-L263 HydrophobicContact CD2-CG 4.22Å; L259-L263 WeakPolarHBondContact O-CG 3.3Å; L259-L263 PolarHBondContact O-N 2.69Å; V260-L263 PolarHBondContact O-N 2.72Å; K261-L263 VanDerWaalsContact C-N 3.34Å; K261-L263 PolarHBondContact O-N 2.89Å; L263-D267 PolarHBondContact O-N 3.35Å; L263-A268 HydrophobicContact CB-CB 4.46Å; L263-A268 HydrophobicContact CD2-CB 4.08Å; L263-A268 WeakPolarHBondContact O-CA 3.25Å; L263-A268 PolarHBondContact O-N 2.93Å; L263-M269 HydrophobicContact CB-CG 3.73Å; L263-M269 HydrophobicContact CB-SD 3.7Å; L263-M269 HydrophobicContact CD1-SD 3.94Å; L263-M269 PolarHBondContact O-N 2.76Å; L263-T272 HydrophobicContact CD1-CG2 4.11Å
264T97.1Very high97.2Very high75 Ų7547.9 Ų47.946%0.4626%0.256SS..Hα-helixtrans-71.5-46.4175.2-54.80000110.8V260 K261 R262 A266 D267 M269V260-T264 WeakPolarHBondContact O-CB 3.41Å; V260-T264 PolarHBondContact O-N 3.3Å; V260-T264 PolarHBondContact O-OG1 2.93Å; K261-T264 CarbonylContact O-C 3.52Å; K261-T264 WeakPolarHBondContact O-CA 3.48Å; K261-T264 WeakPolarHBondContact O-CB 3.47Å; K261-T264 PolarHBondContact O-N 3.29Å; R262-T264 VanDerWaalsContact C-N 3.26Å; R262-T264 PolarHBondContact O-N 2.79Å; T264-A266 PolarHBondContact O-N 2.82Å; T264-D267 WeakPolarHBondContact O-CA 3.43Å; T264-D267 PolarHBondContact O-N 3.22Å; T264-M269 WeakPolarHBondContact OG1-CG 3.33Å
265D96.9Very high97.3Very high115 Ų11544.4 Ų44.462%0.61523%0.231SC*.Hα-helixtrans-62-33.7178.4-63.2-15.6000111.2K261 R262 D267K261-D265 PolarHBondContact O-N 3.16Å; R262-D265 PolarHBondContact O-N 3.13Å; D265-D267 VanDerWaalsContact C-N 3.29Å
266A96.2Very high97.4Very high26 Ų2641.8 Ų41.822%0.21522%0.215CC..THydrogen-bonded Turntrans-83.10.3173.500000114.1I227 R262 T264 A268I227-A266 HydrophobicContact CD1-CB 3.89Å; I227-A266 HydrophobicContact CG1-CB 3.85Å; I227-A266 HydrophobicContact CG2-CB 4.18Å; R262-A266 WeakPolarHBondContact O-CB 3.4Å; R262-A266 PolarHBondContact O-N 2.64Å; T264-A266 PolarHBondContact O-N 2.82Å; A266-A268 PolarHBondContact O-N 3.32Å
267D96.8Very high97.5Very high49 Ų4941.3 Ų41.326%0.26221%0.213SC..THydrogen-bonded Turntrans60.822.6-177.4-160.834.2000114.6K230 L263 T264 D265 K270K230-D267 HydrophobicContact CD-CB 4.41Å; K230-D267 IonicContact NZ-OD2 2.79Å; K230-D267 PolarHBondContact NZ-OD2 3.04Å; L263-D267 PolarHBondContact O-N 3.35Å; T264-D267 WeakPolarHBondContact O-CA 3.43Å; T264-D267 PolarHBondContact O-N 3.22Å; D265-D267 VanDerWaalsContact C-N 3.29Å; D267-K270 WeakPolarHBondContact OD1-CD 3.28Å; D267-K270 WeakPolarHBondContact OD1-CE 3.42Å; D267-K270 IonicContact OD1-NZ 2.86Å; D267-K270 PolarHBondContact OD1-NZ 2.87Å; D267-K270 IonicContact OD2-NZ 2.63Å; D267-K270 PolarHBondContact OD2-NZ 2.81Å
268A97.6Very high97.5Very high0 Ų038.7 Ų38.70%019%0.19CC..  trans-88.8-15.6-178.400000113.7I226 I227 L263 A266 K270 Y271 T272I226-A268 HydrophobicContact CG2-CB 4.11Å; I227-A268 HydrophobicContact CG1-CB 4.47Å; L263-A268 HydrophobicContact CB-CB 4.46Å; L263-A268 HydrophobicContact CD2-CB 4.08Å; L263-A268 WeakPolarHBondContact O-CA 3.25Å; L263-A268 PolarHBondContact O-N 2.93Å; A266-A268 PolarHBondContact O-N 3.32Å; A268-K270 PolarHBondContact O-N 2.97Å; A268-Y271 HydrophobicContact CB-CE1 4.21Å; A268-Y271 HydrophobicContact CB-CE2 4.34Å; A268-Y271 VanDerWaalsContact CB-OH 3.28Å; A268-Y271 WeakPolarHBondContact CB-OH 3.39Å; A268-Y271 PolarHBondContact O-N 2.85Å; A268-T272 WeakPolarHBondContact O-CB 3.29Å; A268-T272 PolarHBondContact O-OG1 2.89Å
269M97.4Very high97.3Very high13 Ų1336.5 Ų36.56%0.06419%0.19CC..G310 helixtrans-62-27.6178.4-80.2-57.5-62.500113G148 V260 L263 T264 Y271 T272 V274G148-M269 WeakPolarHBondContact CA-O 3.46Å; G148-M269 PolarHBondContact N-O 2.69Å; G148-M269 VanDerWaalsContact N-O 3.16Å; V260-M269 HydrophobicContact CG1-CE 4.33Å; V260-M269 HydrophobicContact CG1-SD 4.34Å; L263-M269 HydrophobicContact CB-CG 3.73Å; L263-M269 HydrophobicContact CB-SD 3.7Å; L263-M269 HydrophobicContact CD1-SD 3.94Å; L263-M269 PolarHBondContact O-N 2.76Å; T264-M269 WeakPolarHBondContact OG1-CG 3.33Å; M269-Y271 PolarHBondContact O-N 2.8Å; M269-T272 PolarHBondContact O-N 2.8Å; M269-V274 HydrophobicContact CE-CG2 4.09Å; M269-V274 HydrophobicContact SD-CG2 4.13Å
270K96.9Very high97.1Very high132 Ų13240.2 Ų40.257%0.57422%0.217SC*.G310 helixtrans-54.5-29.5-178.7-69.9172.4172.7162.60114.3D267 A268D267-K270 WeakPolarHBondContact OD1-CD 3.28Å; D267-K270 WeakPolarHBondContact OD1-CE 3.42Å; D267-K270 IonicContact OD1-NZ 2.86Å; D267-K270 PolarHBondContact OD1-NZ 2.87Å; D267-K270 IonicContact OD2-NZ 2.63Å; D267-K270 PolarHBondContact OD2-NZ 2.81Å; A268-K270 PolarHBondContact O-N 2.97Å
271Y97.8Very high96.9Very high10 Ų1041.1 Ų41.14%0.03922%0.221CC..G310 helixtrans-119.213.8-179.856.5-98.3000112.5I226 Q229 K230 N233 C244 A268 M269I226-Y271 HydrophobicContact CG2-CE2 4.04Å; I226-Y271 WeakPolarHBondContact O-CE2 3.46Å; I226-Y271 PolarHBondContact O-OH 2.87Å; Q229-Y271 HydrophobicContact CB-CE2 3.97Å; K230-Y271 HydrophobicContact CB-CE1 4.19Å; K230-Y271 PolarHBondContact N-OH 3.38Å; K230-Y271 VanDerWaalsContact N-OH 3.14Å; N233-Y271 HydrophobicContact CB-CD1 3.8Å; N233-Y271 HydrophobicContact CB-CE1 4.17Å; N233-Y271 HydrophobicContact CB-CG 4.23Å; N233-Y271 VanDerWaalsContact ND2-CD1 3.35Å; N233-Y271 WeakPolarHBondContact ND2-CD1 3.1Å; N233-Y271 WeakPolarHBondContact ND2-CD2 3.44Å; N233-Y271 WeakPolarHBondContact ND2-CE2 3.09Å; C244-Y271 HydrophobicContact CB-CD2 4.29Å; C244-Y271 PolarHBondContact N-O 2.9Å; A268-Y271 HydrophobicContact CB-CE1 4.21Å; A268-Y271 HydrophobicContact CB-CE2 4.34Å; A268-Y271 VanDerWaalsContact CB-OH 3.28Å; A268-Y271 WeakPolarHBondContact CB-OH 3.39Å; A268-Y271 PolarHBondContact O-N 2.85Å; M269-Y271 PolarHBondContact O-N 2.8Å
272T98.7Very high96.7Very high0 Ų036 Ų360%020%0.204CC..EExtended strand (participates in β ladder)trans-117.9132.9-176.3-54.60000111.7G148 I226 C244 L263 A268 M269 V274G148-T272 PolarHBondContact N-O 3.31Å; I226-T272 WeakPolarHBondContact CG2-OG1 3.43Å; C244-T272 HydrophobicContact CB-CG2 3.99Å; C244-T272 CarbonylContact O-C 3.54Å; C244-T272 VanDerWaalsContact O-CA 3.24Å; C244-T272 WeakPolarHBondContact O-CA 3.38Å; L263-T272 HydrophobicContact CD1-CG2 4.11Å; A268-T272 WeakPolarHBondContact O-CB 3.29Å; A268-T272 PolarHBondContact O-OG1 2.89Å; M269-T272 PolarHBondContact O-N 2.8Å; T272-V274 HydrophobicContact CG2-CG2 4.29Å
273I98.6Very high96.6Very high1 Ų131.7 Ų31.71%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-100.9132167.6-50.1176.6000107.7L146 L147 V151 C244 I245 Y246 V275 M296 F300L146-I273 HydrophobicContact CB-CD1 3.68Å; L146-I273 HydrophobicContact CB-CG1 4.08Å; L146-I273 HydrophobicContact CB-CG2 4.2Å; L147-I273 HydrophobicContact CD2-CD1 4.36Å; L147-I273 HydrophobicContact CD2-CG1 3.97Å; V151-I273 HydrophobicContact CG2-CG2 4.43Å; C244-I273 PolarHBondContact O-N 2.81Å; I245-I273 CarbonylContact C-O 3.47Å; I245-I273 WeakPolarHBondContact CA-O 3.11Å; I245-I273 HydrophobicContact CG1-CB 4.34Å; I245-I273 HydrophobicContact CG1-CD1 4.32Å; Y246-I273 PolarHBondContact N-O 2.87Å; I273-V275 HydrophobicContact CG2-CG2 4.45Å; I273-M296 HydrophobicContact CD1-CB 4.28Å; I273-M296 HydrophobicContact CG2-SD 4.08Å; I273-F300 HydrophobicContact CD1-CE2 3.91Å; I273-F300 HydrophobicContact CD1-CZ 4.28Å
274V98.7Very high96.4Very high0 Ų032 Ų320%019%0.192CC..EExtended strand (participates in β ladder)trans-110.5116.2173.3-1790000109.3R149 V150 V151 Y246 V256 V260 M269 T272R149-V274 PolarHBondContact O-N 3.44Å; R149-V274 VanDerWaalsContact O-N 3.11Å; V150-V274 CarbonylContact C-O 3.56Å; V150-V274 WeakPolarHBondContact CA-O 3.34Å; V150-V274 HydrophobicContact CB-CB 4.45Å; V150-V274 HydrophobicContact CG1-CB 4.06Å; V150-V274 HydrophobicContact CG1-CG1 3.97Å; V150-V274 HydrophobicContact CG2-CB 4.21Å; V151-V274 PolarHBondContact N-O 2.88Å; Y246-V274 HydrophobicContact CD1-CG1 4.39Å; Y246-V274 CarbonylContact O-C 3.47Å; Y246-V274 WeakPolarHBondContact O-CA 3.32Å; V256-V274 HydrophobicContact CG1-CG1 4.32Å; V260-V274 HydrophobicContact CG2-CG1 4.27Å; V260-V274 HydrophobicContact CG2-CG2 4.23Å; M269-V274 HydrophobicContact CE-CG2 4.09Å; M269-V274 HydrophobicContact SD-CG2 4.13Å; T272-V274 HydrophobicContact CG2-CG2 4.29Å
275V98.6Very high96.3Very high0 Ų029.5 Ų29.50%018%0.176CC..EExtended strand (participates in β ladder)trans-97.8126.3172.2-176.10000107.9V151 I245 Y246 V247 A248 I273 A289 M296V151-V275 HydrophobicContact CG2-CB 4.41Å; V151-V275 HydrophobicContact CG2-CG2 3.9Å; V151-V275 CarbonylContact O-C 3.48Å; V151-V275 WeakPolarHBondContact O-CA 3.35Å; I245-V275 HydrophobicContact CG2-CG2 4.35Å; Y246-V275 PolarHBondContact O-N 3.11Å; V247-V275 CarbonylContact C-O 3.57Å; V247-V275 WeakPolarHBondContact CA-O 3.39Å; V247-V275 HydrophobicContact CG1-CB 4.25Å; V247-V275 HydrophobicContact CG1-CG1 4.37Å; V247-V275 HydrophobicContact CG2-CB 4.32Å; A248-V275 PolarHBondContact N-O 3.35Å; I273-V275 HydrophobicContact CG2-CG2 4.45Å; V275-A289 HydrophobicContact CG1-CB 4.18Å; V275-M296 HydrophobicContact CG2-CE 4.44Å; V275-M296 HydrophobicContact CG2-SD 3.63Å
276S98.1Very high96.3Very high5 Ų525.3 Ų25.34%0.03515%0.152CC..EExtended strand (participates in β ladder)trans-125.7120.4-176.3-160.90000111.9V151 D152 T278V151-S276 PolarHBondContact O-N 2.98Å; D152-S276 WeakPolarHBondContact CA-O 3.32Å; S276-T278 WeakPolarHBondContact OG-CG2 3.31Å
277A97.5Very high96.3Very high1 Ų124.5 Ų24.51%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-12298.1159.700000107.3A153 A248 I249 G250 L285 Q286 A289A153-A277 HydrophobicContact CB-CB 4.5Å; A248-A277 PolarHBondContact O-N 3.43Å; I249-A277 CarbonylContact C-O 3.57Å; G250-A277 PolarHBondContact N-O 3.27Å; A277-L285 HydrophobicContact CB-CB 4.44Å; A277-Q286 HydrophobicContact CB-CB 4.47Å; A277-Q286 HydrophobicContact CB-CG 4.14Å; A277-A289 HydrophobicContact CB-CB 3.7Å
278T96.6Very high96.3Very high6 Ų622.3 Ų22.34%0.03713%0.132CC..EExtended strand (participates in β ladder)trans-76.2167.1-174.764.30000112.2Q251 R253 S276 S280 D281 Q286Q251-T278 CarbonylContact O-C 3.59Å; Q251-T278 VanDerWaalsContact O-CA 3.28Å; Q251-T278 WeakPolarHBondContact O-CA 3.44Å; Q251-T278 WeakPolarHBondContact O-CB 3.42Å; R253-T278 HydrophobicContact CB-CG2 4.22Å; S276-T278 WeakPolarHBondContact OG-CG2 3.31Å; T278-S280 PolarHBondContact O-N 3.07Å; T278-S280 VanDerWaalsContact O-N 3.14Å; T278-S280 PolarHBondContact OG1-OG 3.13Å; T278-D281 WeakPolarHBondContact CA-OD2 3.35Å; T278-D281 WeakPolarHBondContact CB-OD2 3.22Å; T278-D281 PolarHBondContact N-OD2 2.88Å; T278-D281 WeakPolarHBondContact O-CB 3.47Å; T278-D281 PolarHBondContact O-N 3.06Å; T278-D281 VanDerWaalsContact OG1-CG 3.23Å; T278-D281 PolarHBondContact OG1-OD1 2.93Å; T278-D281 PolarHBondContact OG1-OD2 3.2Å; T278-Q286 PolarHBondContact O-NE2 3.3Å
279A94.3Very high96.3Very high61 Ų6122.3 Ų22.350%0.50413%0.132SC..THydrogen-bonded Turntrans-60.1-22.4178.200000114.3Q251 D281Q251-A279 PolarHBondContact O-N 2.95Å; A279-D281 VanDerWaalsContact C-N 3.33Å
280S92.4Very high96.4Very high84 Ų8421.7 Ų21.759%0.58713%0.129SC*.THydrogen-bonded Turntrans-81.2-15.317654.90000113.3T278T278-S280 PolarHBondContact O-N 3.07Å; T278-S280 VanDerWaalsContact O-N 3.14Å; T278-S280 PolarHBondContact OG1-OG 3.13Å
281D93.6Very high96.4Very high49 Ų4915.6 Ų15.626%0.26210%0.102SC..SBendtrans-83.2153.2-177.7-55.7-34.7000109.9T278 A279 L285 Q286T278-D281 WeakPolarHBondContact CA-OD2 3.35Å; T278-D281 WeakPolarHBondContact CB-OD2 3.22Å; T278-D281 PolarHBondContact N-OD2 2.88Å; T278-D281 WeakPolarHBondContact O-CB 3.47Å; T278-D281 PolarHBondContact O-N 3.06Å; T278-D281 VanDerWaalsContact OG1-CG 3.23Å; T278-D281 PolarHBondContact OG1-OD1 2.93Å; T278-D281 PolarHBondContact OG1-OD2 3.2Å; A279-D281 VanDerWaalsContact C-N 3.33Å; D281-L285 HydrophobicContact CB-CB 4.49Å; D281-L285 HydrophobicContact CB-CD1 4.17Å; D281-Q286 PolarHBondContact O-NE2 2.9Å
282A93.1Very high96.4Very high27 Ų2715.1 Ų15.122%0.22310%0.101CC..  trans-57.7142.4-177.900000111.2P284 L285 Q286A282-P284 WeakPolarHBondContact O-CD 3.47Å; A282-L285 WeakPolarHBondContact O-CB 3.49Å; A282-L285 PolarHBondContact O-N 2.98Å; A282-Q286 PolarHBondContact O-N 2.78Å
283A94Very high96.4Very high12 Ų1215.1 Ų15.110%0.09910%0.101CC..Hα-helixtrans-45.2-37.417600000114.6L285 Q286 Y287 A320 M324A283-L285 VanDerWaalsContact C-N 3.32Å; A283-L285 PolarHBondContact O-N 3.17Å; A283-Q286 WeakPolarHBondContact O-CB 3.42Å; A283-Q286 PolarHBondContact O-N 2.67Å; A283-Q286 VanDerWaalsContact O-N 3.17Å; A283-Y287 PolarHBondContact O-N 2.8Å; A283-A320 HydrophobicContact CB-CB 4.21Å; A283-M324 HydrophobicContact CB-CG 4.37Å
284P94.3Very high96.4Very high7 Ų715.1 Ų15.15%0.04510%0.1CC..Hα-helixtrans-66.8-31.2179.8-20.736.9000113.7V117 F119 A282 L288 M324V117-P284 HydrophobicContact CB-CG 4.38Å; V117-P284 HydrophobicContact CG1-CB 3.37Å; V117-P284 HydrophobicContact CG1-CG 2.93Å; F119-P284 HydrophobicContact CD1-CB 3.74Å; F119-P284 HydrophobicContact CE1-CB 3.69Å; A282-P284 WeakPolarHBondContact O-CD 3.47Å; P284-L288 VanDerWaalsContact O-CB 3.25Å; P284-L288 WeakPolarHBondContact O-CB 3.41Å; P284-L288 PolarHBondContact O-N 3.39Å; P284-M324 HydrophobicContact CB-CE 4.29Å; P284-M324 HydrophobicContact CB-SD 4.12Å; P284-M324 HydrophobicContact CG-CG 4.35Å; P284-M324 HydrophobicContact CG-SD 4.22Å
285L95.2Very high96.4Very high22 Ų2215.1 Ų15.112%0.11510%0.1CC..Hα-helixtrans-71.1-39173.4-67.1169.6000110.9F119 A153 L154 A277 D281 A282 A283 Y287 L288 A289F119-L285 HydrophobicContact CB-CD2 4.02Å; F119-L285 HydrophobicContact CB-CG 4.39Å; F119-L285 HydrophobicContact CD1-CD2 3.98Å; F119-L285 HydrophobicContact CD1-CG 4.26Å; F119-L285 HydrophobicContact CG-CD2 4.17Å; A153-L285 HydrophobicContact CB-CB 4.14Å; A153-L285 HydrophobicContact CB-CD2 3.95Å; A153-L285 WeakPolarHBondContact CB-O 3.42Å; L154-L285 HydrophobicContact CD1-CD2 4.34Å; L154-L285 HydrophobicContact CD2-CD2 4.48Å; L154-L285 HydrophobicContact CG-CD2 4.02Å; A277-L285 HydrophobicContact CB-CB 4.44Å; D281-L285 HydrophobicContact CB-CB 4.49Å; D281-L285 HydrophobicContact CB-CD1 4.17Å; A282-L285 WeakPolarHBondContact O-CB 3.49Å; A282-L285 PolarHBondContact O-N 2.98Å; A283-L285 VanDerWaalsContact C-N 3.32Å; A283-L285 PolarHBondContact O-N 3.17Å; L285-Y287 VanDerWaalsContact C-N 3.34Å; L285-L288 PolarHBondContact O-N 3.26Å; L285-A289 WeakPolarHBondContact O-CB 3.34Å; L285-A289 PolarHBondContact O-N 2.88Å
286Q97.1Very high96.4Very high27 Ų2715.1 Ų15.113%0.12610%0.101CC..Hα-helixtrans-65.2-38.5175.1-59.4-178.135.400111.8I249 A277 T278 D281 A282 A283 P290 A320I249-Q286 HydrophobicContact CG2-CB 4.21Å; A277-Q286 HydrophobicContact CB-CB 4.47Å; A277-Q286 HydrophobicContact CB-CG 4.14Å; T278-Q286 PolarHBondContact O-NE2 3.3Å; D281-Q286 PolarHBondContact O-NE2 2.9Å; A282-Q286 PolarHBondContact O-N 2.78Å; A283-Q286 WeakPolarHBondContact O-CB 3.42Å; A283-Q286 PolarHBondContact O-N 2.67Å; A283-Q286 VanDerWaalsContact O-N 3.17Å; Q286-P290 WeakPolarHBondContact O-CD 3.41Å; Q286-A320 HydrophobicContact CB-CB 3.94Å
287Y95.8Very high96.4Very high9 Ų914.9 Ų14.94%0.03510%0.099CC..Hα-helixtrans-61.3-43171.6163.4-92.7000112.4M105 A283 L285 Y291 Q317 Y321 M324 L344 R347M105-Y287 HydrophobicContact CE-CE1 4.1Å; A283-Y287 PolarHBondContact O-N 2.8Å; L285-Y287 VanDerWaalsContact C-N 3.34Å; Y287-Y291 HydrophobicContact CE2-CE2 4.48Å; Y287-Q317 PolarHBondContact O-NE2 2.7Å; Y287-Y321 AromaticContact CD2-CD2 3.52Å; Y287-Y321 HydrophobicContact CD2-CD2 3.52Å; Y287-Y321 HydrophobicContact CD2-CE2 4.37Å; Y287-Y321 HydrophobicContact CD2-CG 4.01Å; Y287-Y321 AromaticContact CE2-CD2 3.29Å; Y287-Y321 HydrophobicContact CE2-CD2 3.29Å; Y287-Y321 AromaticContact CE2-CE2 3.71Å; Y287-Y321 HydrophobicContact CE2-CE2 3.71Å; Y287-Y321 AromaticContact CE2-CG 3.98Å; Y287-Y321 HydrophobicContact CE2-CG 3.98Å; Y287-M324 HydrophobicContact CD1-CE 4.14Å; Y287-M324 HydrophobicContact CD1-SD 4.4Å; Y287-M324 HydrophobicContact CD2-SD 4.35Å; Y287-M324 HydrophobicContact CG-CE 4.15Å; Y287-M324 HydrophobicContact CG-SD 3.9Å; Y287-L344 HydrophobicContact CD2-CD1 3.95Å; Y287-L344 HydrophobicContact CE2-CD1 3.28Å; Y287-R347 PolarHBondContact OH-NH2 3.47Å
288L96.4Very high96.4Very high2 Ų214.9 Ų14.91%0.0110%0.099CC..Hα-helixtrans-78.5-35.3-172.7-176.364.2000113.3F119 V138 A153 L154 V172 P284 L285 P290 Y291 S292F119-L288 HydrophobicContact CE1-CD2 4.33Å; F119-L288 HydrophobicContact CZ-CD2 4.1Å; V138-L288 HydrophobicContact CG1-CD1 4.06Å; V138-L288 HydrophobicContact CG1-CD2 3.96Å; A153-L288 HydrophobicContact CB-CB 4.4Å; L154-L288 HydrophobicContact CD2-CD2 3.69Å; V172-L288 HydrophobicContact CB-CD1 4.26Å; V172-L288 HydrophobicContact CG1-CD1 4.34Å; V172-L288 HydrophobicContact CG2-CD1 3.78Å; P284-L288 VanDerWaalsContact O-CB 3.25Å; P284-L288 WeakPolarHBondContact O-CB 3.41Å; P284-L288 PolarHBondContact O-N 3.39Å; L285-L288 PolarHBondContact O-N 3.26Å; L288-P290 VanDerWaalsContact C-CD 3.48Å; L288-P290 VanDerWaalsContact C-N 3.33Å; L288-P290 VanDerWaalsContact O-N 3.12Å; L288-Y291 WeakPolarHBondContact O-CB 3.25Å; L288-Y291 PolarHBondContact O-N 3.42Å; L288-S292 PolarHBondContact O-N 2.83Å; L288-S292 VanDerWaalsContact O-N 3.11Å; L288-S292 PolarHBondContact O-OG 2.95Å
289A98.1Very high96.4Very high0 Ų017 Ų170%011%0.107CC..Hα-helixtrans-49.6-41.8-171.600000114.8A153 V247 V275 A277 L285 Y291 S292 G293A153-A289 HydrophobicContact CB-CB 3.92Å; V247-A289 HydrophobicContact CG1-CB 4Å; V275-A289 HydrophobicContact CG1-CB 4.18Å; A277-A289 HydrophobicContact CB-CB 3.7Å; L285-A289 WeakPolarHBondContact O-CB 3.34Å; L285-A289 PolarHBondContact O-N 2.88Å; A289-Y291 PolarHBondContact O-N 3.48Å; A289-S292 PolarHBondContact O-N 3.36Å; A289-G293 PolarHBondContact O-N 3.13Å
290P98.5Very high96.6Very high0 Ų014.1 Ų14.10%08%0.083CC..Hα-helixtrans-64-37.3176.5-27.941.6000113.7V247 I249 Q286 L288 C294 Y311 L314 Q317 L348V247-P290 HydrophobicContact CG1-CG 4.39Å; I249-P290 HydrophobicContact CD1-CG 3.47Å; I249-P290 VanDerWaalsContact CD1-CG 3.47Å; I249-P290 HydrophobicContact CG1-CG 3.87Å; Q286-P290 WeakPolarHBondContact O-CD 3.41Å; L288-P290 VanDerWaalsContact C-CD 3.48Å; L288-P290 VanDerWaalsContact C-N 3.33Å; L288-P290 VanDerWaalsContact O-N 3.12Å; P290-C294 WeakPolarHBondContact O-CB 3.46Å; P290-C294 PolarHBondContact O-N 3.3Å; P290-Y311 HydrophobicContact CB-CD1 3.8Å; P290-Y311 HydrophobicContact CB-CE1 3.94Å; P290-L314 HydrophobicContact CB-CD2 4.38Å; P290-L314 HydrophobicContact CG-CD2 4.3Å; P290-Q317 HydrophobicContact CG-CB 4.45Å; P290-Q317 HydrophobicContact CG-CG 4.01Å; P290-L348 HydrophobicContact CB-CD1 4.18Å; P290-L348 HydrophobicContact CB-CD2 3.6Å
291Y98.1Very high96.8Very high5 Ų510.6 Ų10.62%0.026%0.056CC..Hα-helixtrans-69.6-38.3176.5-67.1-69.1000112.1Y287 L288 A289 C294 S295 L344 R347 L348Y287-Y291 HydrophobicContact CE2-CE2 4.48Å; L288-Y291 WeakPolarHBondContact O-CB 3.25Å; L288-Y291 PolarHBondContact O-N 3.42Å; A289-Y291 PolarHBondContact O-N 3.48Å; Y291-C294 PolarHBondContact O-N 3.2Å; Y291-S295 PolarHBondContact O-N 3.37Å; Y291-S295 PolarHBondContact O-OG 2.86Å; Y291-L344 HydrophobicContact CE2-CD1 3.96Å; Y291-L344 WeakPolarHBondContact OH-CD1 3.23Å; Y291-L344 PolarHBondContact OH-O 2.84Å; Y291-R347 HydrophobicContact CE1-CG 4.01Å; Y291-R347 PolarHBondContact OH-NE 2.97Å; Y291-R347 PolarHBondContact OH-NH2 2.65Å; Y291-L348 HydrophobicContact CD1-CB 4.47Å; Y291-L348 HydrophobicContact CD1-CD1 3.77Å; Y291-L348 HydrophobicContact CE1-CB 3.76Å; Y291-L348 HydrophobicContact CE1-CD1 3.92Å; Y291-L348 HydrophobicContact CE1-CG 4.39Å; Y291-L348 HydrophobicContact CG-CD1 4.38Å
292S98Very high97Very high0 Ų011 Ų110%06%0.058CC..Hα-helixtrans-63.8-50.1174.8-58.70000111.4A153 L288 A289 C294 S295 M296A153-S292 VanDerWaalsContact O-CB 3.29Å; A153-S292 WeakPolarHBondContact O-CB 2.79Å; A153-S292 PolarHBondContact O-OG 3.5Å; L288-S292 PolarHBondContact O-N 2.83Å; L288-S292 VanDerWaalsContact O-N 3.11Å; L288-S292 PolarHBondContact O-OG 2.95Å; A289-S292 PolarHBondContact O-N 3.36Å; S292-C294 VanDerWaalsContact C-N 3.32Å; S292-C294 PolarHBondContact O-N 2.81Å; S292-S295 PolarHBondContact O-N 3.01Å; S292-M296 WeakPolarHBondContact O-CG 3.29Å; S292-M296 PolarHBondContact O-N 3.43Å; S292-M296 VanDerWaalsContact O-N 3.08Å
293G98.2Very high97.1Very high0 Ų014.1 Ų14.10%07%0.071CC..Hα-helixtrans-60.5-40.8175.500000112.6A289 S295 M296 G297 I309A289-G293 PolarHBondContact O-N 3.13Å; G293-S295 VanDerWaalsContact C-N 3.33Å; G293-S295 PolarHBondContact O-N 3.08Å; G293-M296 PolarHBondContact O-N 3.08Å; G293-G297 PolarHBondContact O-N 3.31Å; G293-I309 WeakPolarHBondContact O-CD1 3.45Å
294C98.4Very high97.1Very high0 Ų015 Ų150%08%0.082CC..Hα-helixtrans-58.9-45.8175.4-172.90000111P290 Y291 S292 M296 G297 E298 I309 L348 R351P290-C294 WeakPolarHBondContact O-CB 3.46Å; P290-C294 PolarHBondContact O-N 3.3Å; Y291-C294 PolarHBondContact O-N 3.2Å; S292-C294 VanDerWaalsContact C-N 3.32Å; S292-C294 PolarHBondContact O-N 2.81Å; C294-M296 VanDerWaalsContact C-N 3.32Å; C294-M296 PolarHBondContact O-N 3.34Å; C294-G297 CarbonylContact O-C 3.49Å; C294-G297 WeakPolarHBondContact O-CA 3.39Å; C294-G297 PolarHBondContact O-N 2.6Å; C294-E298 WeakPolarHBondContact O-CG 3.33Å; C294-E298 PolarHBondContact O-N 2.98Å; C294-I309 HydrophobicContact CB-CD1 4.31Å; C294-I309 VanDerWaalsContact N-CD1 3.35Å; C294-L348 HydrophobicContact CB-CD1 3.86Å; C294-R351 VanDerWaalsContact SG-CZ 3.58Å; C294-R351 PolarHBondContact SG-NE 3.09Å
295S98.1Very high97.3Very high0 Ų016.5 Ų16.50%09%0.088CC..Hα-helixtrans-64.5-35.1179.9-52.10000112.9R171 V172 Y291 S292 G293 E298 Y299 R351R171-S295 PolarHBondContact O-OG 3.35Å; V172-S295 WeakPolarHBondContact CA-OG 3.36Å; V172-S295 PolarHBondContact O-OG 3Å; Y291-S295 PolarHBondContact O-N 3.37Å; Y291-S295 PolarHBondContact O-OG 2.86Å; S292-S295 PolarHBondContact O-N 3.01Å; G293-S295 VanDerWaalsContact C-N 3.33Å; G293-S295 PolarHBondContact O-N 3.08Å; S295-E298 PolarHBondContact O-N 3.37Å; S295-Y299 PolarHBondContact O-N 3.37Å; S295-R351 PolarHBondContact OG-NH2 3.09Å
296M98.2Very high97.4Very high1 Ų116 Ų161%0.0059%0.085CC..Hα-helixtrans-66-39.1171-64.2168.5-174.900111.6V140 V142 L146 V151 I273 V275 S292 G293 C294 Y299 F300V140-M296 HydrophobicContact CB-CE 4.33Å; V140-M296 HydrophobicContact CG2-CE 4.38Å; V142-M296 HydrophobicContact CG1-CG 4.35Å; L146-M296 HydrophobicContact CD2-CE 3.73Å; L146-M296 HydrophobicContact CD2-CG 4.21Å; L146-M296 HydrophobicContact CD2-SD 3.81Å; V151-M296 HydrophobicContact CG2-CE 3.82Å; V151-M296 HydrophobicContact CG2-SD 4.13Å; I273-M296 HydrophobicContact CD1-CB 4.28Å; I273-M296 HydrophobicContact CG2-SD 4.08Å; V275-M296 HydrophobicContact CG2-CE 4.44Å; V275-M296 HydrophobicContact CG2-SD 3.63Å; S292-M296 WeakPolarHBondContact O-CG 3.29Å; S292-M296 PolarHBondContact O-N 3.43Å; S292-M296 VanDerWaalsContact O-N 3.08Å; G293-M296 PolarHBondContact O-N 3.08Å; C294-M296 VanDerWaalsContact C-N 3.32Å; C294-M296 PolarHBondContact O-N 3.34Å; M296-Y299 WeakPolarHBondContact O-CB 3.45Å; M296-F300 WeakPolarHBondContact O-CD2 3.45Å
297G97.9Very high97.5Very high0 Ų014.7 Ų14.70%08%0.079CC..Hα-helixtrans-68.7-36.9174.300000113.9G293 C294 Y299 F300 R301G293-G297 PolarHBondContact O-N 3.31Å; C294-G297 CarbonylContact O-C 3.49Å; C294-G297 WeakPolarHBondContact O-CA 3.39Å; C294-G297 PolarHBondContact O-N 2.6Å; G297-Y299 PolarHBondContact O-N 3.33Å; G297-F300 PolarHBondContact O-N 3.29Å; G297-F300 VanDerWaalsContact O-N 3.15Å; G297-R301 PolarHBondContact O-N 2.62Å
298E98Very high97.6Very high1 Ų114.3 Ų14.31%0.0058%0.077CC..Hα-helixtrans-64.2-29.1177.6-73-171.4144.700113R170 C294 S295 F300 R301 D302 R351 L364R170-E298 IonicContact CZ-OE2 3.79Å; R170-E298 IonicContact NH2-OE2 2.83Å; C294-E298 WeakPolarHBondContact O-CG 3.33Å; C294-E298 PolarHBondContact O-N 2.98Å; S295-E298 PolarHBondContact O-N 3.37Å; E298-F300 VanDerWaalsContact C-N 3.26Å; E298-F300 PolarHBondContact O-N 2.86Å; E298-R301 PolarHBondContact O-N 3.03Å; E298-R301 IonicContact OE1-CZ 2.84Å; E298-R301 IonicContact OE1-NH1 3.35Å; E298-R301 PolarHBondContact OE1-NH1 3.43Å; E298-R301 IonicContact OE1-NH2 2.98Å; E298-R301 PolarHBondContact OE1-NH2 3.42Å; E298-D302 WeakPolarHBondContact O-CB 3.37Å; E298-D302 VanDerWaalsContact O-CG 3.27Å; E298-D302 PolarHBondContact O-N 2.96Å; E298-R351 VanDerWaalsContact CD-NE 3.34Å; E298-R351 WeakPolarHBondContact OE1-CB 3.13Å; E298-R351 IonicContact OE1-CZ 2.69Å; E298-R351 IonicContact OE1-NE 3.6Å; E298-R351 PolarHBondContact OE1-NE 3.24Å; E298-R351 IonicContact OE1-NH2 3.66Å; E298-R351 IonicContact OE2-CZ 3.57Å; E298-R351 IonicContact OE2-NE 3.65Å; E298-R351 IonicContact OE2-NH2 2.74Å; E298-R351 PolarHBondContact OE2-NH2 3.49Å; E298-L364 HydrophobicContact CG-CD2 4.15Å
299Y97.3Very high97.7Very high51 Ų5114.2 Ų14.220%0.28%0.076CC..Hα-helixtrans-55.3-44.1172.4174.1-91.2000111.4V142 E144 S295 M296 G297 N303V142-Y299 HydrophobicContact CB-CD2 4.31Å; V142-Y299 HydrophobicContact CB-CG 4.39Å; V142-Y299 HydrophobicContact CG2-CD2 3.97Å; E144-Y299 HydrophobicContact CG-CE1 4.05Å; S295-Y299 PolarHBondContact O-N 3.37Å; M296-Y299 WeakPolarHBondContact O-CB 3.45Å; G297-Y299 PolarHBondContact O-N 3.33Å; Y299-N303 WeakPolarHBondContact CD2-ND2 3.45Å; Y299-N303 VanDerWaalsContact CE2-ND2 3.3Å; Y299-N303 WeakPolarHBondContact CE2-ND2 3.15Å; Y299-N303 WeakPolarHBondContact O-CB 3.48Å; Y299-N303 PolarHBondContact O-N 2.95Å; Y299-N303 PolarHBondContact O-ND2 3.14Å
300F97.6Very high97.8Very high0 Ų014.2 Ų14.20%08%0.076CC..Hα-helixtrans-69.5-45.7177.7-61.3-78.2000111.4E144 L147 Y243 I245 I273 M296 G297 E298 D302 N303 K305 A307E144-F300 HydrophobicContact CG-CE1 4.08Å; L147-F300 HydrophobicContact CD1-CE1 4.41Å; L147-F300 HydrophobicContact CD1-CZ 4.42Å; L147-F300 HydrophobicContact CD2-CE1 4.35Å; L147-F300 HydrophobicContact CD2-CZ 3.73Å; L147-F300 HydrophobicContact CG-CZ 4.16Å; Y243-F300 HydrophobicContact CD1-CD1 4.15Å; Y243-F300 AromaticContact CD1-CE1 3.74Å; Y243-F300 HydrophobicContact CD1-CE1 3.74Å; Y243-F300 HydrophobicContact CD1-CZ 4.31Å; Y243-F300 HydrophobicContact CD2-CB 4.47Å; Y243-F300 AromaticContact CD2-CD1 3.51Å; Y243-F300 HydrophobicContact CD2-CD1 3.51Å; Y243-F300 AromaticContact CD2-CE1 3.98Å; Y243-F300 HydrophobicContact CD2-CE1 3.98Å; Y243-F300 HydrophobicContact CD2-CG 4.12Å; Y243-F300 HydrophobicContact CE1-CE1 4.15Å; Y243-F300 HydrophobicContact CE2-CD1 4.02Å; Y243-F300 HydrophobicContact CE2-CE1 4.4Å; Y243-F300 AromaticContact CG-CD1 3.57Å; Y243-F300 HydrophobicContact CG-CD1 3.57Å; Y243-F300 AromaticContact CG-CE1 3.61Å; Y243-F300 HydrophobicContact CG-CE1 3.61Å; Y243-F300 HydrophobicContact CG-CG 4.15Å; Y243-F300 HydrophobicContact CG-CZ 4.23Å; I245-F300 HydrophobicContact CD1-CD2 4.43Å; I273-F300 HydrophobicContact CD1-CE2 3.91Å; I273-F300 HydrophobicContact CD1-CZ 4.28Å; M296-F300 WeakPolarHBondContact O-CD2 3.45Å; G297-F300 PolarHBondContact O-N 3.29Å; G297-F300 VanDerWaalsContact O-N 3.15Å; E298-F300 VanDerWaalsContact C-N 3.26Å; E298-F300 PolarHBondContact O-N 2.86Å; F300-D302 VanDerWaalsContact C-N 3.31Å; F300-D302 PolarHBondContact O-N 2.87Å; F300-N303 PolarHBondContact O-N 3.19Å; F300-K305 HydrophobicContact CB-CB 4.06Å; F300-K305 HydrophobicContact CD1-CD 4.14Å; F300-K305 CarbonylContact O-C 3.57Å; F300-K305 WeakPolarHBondContact O-CA 3.3Å; F300-K305 VanDerWaalsContact O-CB 3.31Å; F300-K305 WeakPolarHBondContact O-CB 3.39Å; F300-K305 PolarHBondContact O-N 2.96Å; F300-A307 HydrophobicContact CB-CB 3.89Å; F300-A307 HydrophobicContact CD2-CB 4.37Å; F300-A307 HydrophobicContact CG-CB 4.44Å
301R97.3Very high97.8Very high9 Ų914.2 Ų14.23%0.0348%0.076CC..Hα-helixtrans-53.9-47.7177.6-177.9-16571.5-155.1-8.8111.8G297 E298 N303 G304 R351 M355 G362 L364G297-R301 PolarHBondContact O-N 2.62Å; E298-R301 PolarHBondContact O-N 3.03Å; E298-R301 IonicContact OE1-CZ 2.84Å; E298-R301 IonicContact OE1-NH1 3.35Å; E298-R301 PolarHBondContact OE1-NH1 3.43Å; E298-R301 IonicContact OE1-NH2 2.98Å; E298-R301 PolarHBondContact OE1-NH2 3.42Å; R301-N303 VanDerWaalsContact C-N 3.3Å; R301-N303 PolarHBondContact O-N 3Å; R301-G304 PolarHBondContact O-N 2.68Å; R301-R351 PolarHBondContact NH1-O 2.83Å; R301-M355 HydrophobicContact CG-CG 3.78Å; R301-G362 VanDerWaalsContact O-CA 3.31Å; R301-G362 WeakPolarHBondContact O-CA 2.87Å; R301-L364 HydrophobicContact CB-CB 4.2Å; R301-L364 HydrophobicContact CG-CB 4.37Å
302D96.6Very high97.8Very high57 Ų5714.1 Ų14.131%0.3058%0.077SC..Hα-helixtrans-80-14.5-172.7-62.9-15.5000112.8R170 E298 F300R170-D302 IonicContact CZ-OD2 2.81Å; R170-D302 IonicContact NH1-OD2 2.85Å; R170-D302 PolarHBondContact NH1-OD2 3.25Å; R170-D302 IonicContact NH2-OD2 3.41Å; R170-D302 PolarHBondContact NH2-OD2 3.27Å; E298-D302 WeakPolarHBondContact O-CB 3.37Å; E298-D302 VanDerWaalsContact O-CG 3.27Å; E298-D302 PolarHBondContact O-N 2.96Å; F300-D302 VanDerWaalsContact C-N 3.31Å; F300-D302 PolarHBondContact O-N 2.87Å
303N95.8Very high97.7Very high93 Ų9314.2 Ų14.250%0.4978%0.077SC..THydrogen-bonded Turntrans-9824.3172.4-70.7-58.4000112.7Y299 F300 R301 K305Y299-N303 WeakPolarHBondContact CD2-ND2 3.45Å; Y299-N303 VanDerWaalsContact CE2-ND2 3.3Å; Y299-N303 WeakPolarHBondContact CE2-ND2 3.15Å; Y299-N303 WeakPolarHBondContact O-CB 3.48Å; Y299-N303 PolarHBondContact O-N 2.95Å; Y299-N303 PolarHBondContact O-ND2 3.14Å; F300-N303 PolarHBondContact O-N 3.19Å; R301-N303 VanDerWaalsContact C-N 3.3Å; R301-N303 PolarHBondContact O-N 3Å; N303-K305 PolarHBondContact O-N 3.18Å
304G95.4Very high97.7Very high31 Ų3114.2 Ų14.232%0.328%0.077SC..THydrogen-bonded Turntrans70.412.9176.300000115.3R301 G360R301-G304 PolarHBondContact O-N 2.68Å; G304-G360 WeakPolarHBondContact CA-O 3.26Å
305K97Very high97.6Very high39 Ų3915.2 Ų15.217%0.178%0.084CC..  trans-98.5167.2177.2-63.6175.7168.4-153.10110.6E144 E238 Y243 F300 N303 G362 S363E144-K305 IonicContact OE1-NZ 3.39Å; E144-K305 PolarHBondContact OE1-NZ 3.35Å; E144-K305 IonicContact OE2-NZ 2.6Å; E238-K305 IonicContact OE2-NZ 3.09Å; Y243-K305 HydrophobicContact CD2-CB 4.2Å; Y243-K305 HydrophobicContact CD2-CD 4.4Å; Y243-K305 HydrophobicContact CE2-CB 3.99Å; Y243-K305 HydrophobicContact CE2-CD 3.62Å; Y243-K305 HydrophobicContact CE2-CG 4.12Å; Y243-K305 PolarHBondContact OH-NZ 2.96Å; F300-K305 HydrophobicContact CB-CB 4.06Å; F300-K305 HydrophobicContact CD1-CD 4.14Å; F300-K305 CarbonylContact O-C 3.57Å; F300-K305 WeakPolarHBondContact O-CA 3.3Å; F300-K305 VanDerWaalsContact O-CB 3.31Å; F300-K305 WeakPolarHBondContact O-CB 3.39Å; F300-K305 PolarHBondContact O-N 2.96Å; N303-K305 PolarHBondContact O-N 3.18Å; K305-G362 CarbonylContact O-C 3.58Å; K305-G362 WeakPolarHBondContact O-CA 3.34Å; K305-S363 PolarHBondContact O-N 3.48Å
306H98.2Very high97.6Very high11 Ų1117.8 Ų17.85%0.05110%0.095CC..EExtended strand (participates in β ladder)trans-106.7133.8177.2-55.8-80.5000110.3E187 R204 K239 L242 Y243 S363E187-H306 IonicContact OE2-CE1 3.57Å; E187-H306 PolarHBondContact OE2-CE1 2.83Å; E187-H306 IonicContact OE2-NE2 2.77Å; R204-H306 PolarHBondContact NH1-CD2 2.92Å; R204-H306 PolarHBondContact NH1-NE2 2.81Å; K239-H306 PolarHBondContact O-CD2 3.3Å; K239-H306 PolarHBondContact O-NE2 3.35Å; L242-H306 WeakPolarHBondContact CA-O 3.18Å; L242-H306 HydrophobicContact CD1-CB 3.6Å; Y243-H306 WeakPolarHBondContact CD2-O 3.22Å; Y243-H306 PolarHBondContact N-O 3.03Å; H306-S363 CarbonylContact C-O 3.5Å; H306-S363 WeakPolarHBondContact CA-O 3.32Å; H306-S363 WeakPolarHBondContact CB-OG 3.49Å; H306-S363 PolarHBondContact ND1-OG 2.96Å
307A98.4Very high97.6Very high0 Ų017.8 Ų17.80%010%0.095CC..EExtended strand (participates in β ladder)trans-127.7153.7175.600000112.6Y243 I245 F300 S363 L364 T365Y243-A307 CarbonylContact O-C 3.54Å; Y243-A307 WeakPolarHBondContact O-CA 3.49Å; Y243-A307 WeakPolarHBondContact O-CB 3.38Å; I245-A307 HydrophobicContact CD1-CB 3.99Å; F300-A307 HydrophobicContact CB-CB 3.89Å; F300-A307 HydrophobicContact CD2-CB 4.37Å; F300-A307 HydrophobicContact CG-CB 4.44Å; A307-S363 PolarHBondContact N-O 2.92Å; A307-L364 HydrophobicContact CB-CD1 3.8Å; A307-T365 PolarHBondContact O-N 3.08Å
308L98.8Very high97.5Very high0 Ų017.8 Ų17.80%010%0.095CC..EExtended strand (participates in β ladder)trans-119.7127171.7173.165000108.1M189 T225 I226 L242 Y243 C244 I245 I310 T365 L367M189-L308 HydrophobicContact CE-CD1 4.12Å; M189-L308 HydrophobicContact SD-CD2 4.46Å; T225-L308 HydrophobicContact CG2-CD2 3.58Å; I226-L308 HydrophobicContact CG1-CD2 4.5Å; L242-L308 HydrophobicContact CD1-CB 4.5Å; L242-L308 HydrophobicContact CD2-CB 3.83Å; L242-L308 HydrophobicContact CD2-CD2 4.36Å; L242-L308 HydrophobicContact CG-CB 4.1Å; Y243-L308 PolarHBondContact O-N 3.4Å; C244-L308 CarbonylContact C-O 3.45Å; C244-L308 WeakPolarHBondContact CA-O 3.23Å; I245-L308 PolarHBondContact N-O 3.32Å; L308-I310 HydrophobicContact CD2-CD1 4.37Å; L308-I310 HydrophobicContact CG-CG1 4.3Å; L308-T365 CarbonylContact C-O 3.54Å; L308-T365 WeakPolarHBondContact CA-O 3.07Å; L308-T365 HydrophobicContact CD1-CG2 4.21Å; L308-L367 HydrophobicContact CD1-CD1 3.82Å; L308-L367 HydrophobicContact CD1-CG 3.79Å
309I98.8Very high97.5Very high0 Ų020.6 Ų20.60%011%0.112CC..EExtended strand (participates in β ladder)trans-117.6134.7172.9-173.4159.1000111.1I245 V247 G293 C294 Y311 L364 T365 A366 L367I245-I309 HydrophobicContact CB-CB 4.31Å; I245-I309 HydrophobicContact CB-CD1 4.33Å; I245-I309 HydrophobicContact CB-CG1 4.1Å; I245-I309 HydrophobicContact CG2-CD1 4.07Å; I245-I309 HydrophobicContact CG2-CG1 4.17Å; I245-I309 CarbonylContact O-C 3.49Å; I245-I309 WeakPolarHBondContact O-CA 3.48Å; V247-I309 HydrophobicContact CG2-CD1 4.04Å; V247-I309 HydrophobicContact CG2-CG1 4.15Å; G293-I309 WeakPolarHBondContact O-CD1 3.45Å; C294-I309 HydrophobicContact CB-CD1 4.31Å; C294-I309 VanDerWaalsContact N-CD1 3.35Å; I309-Y311 HydrophobicContact CD1-CD1 4.31Å; I309-Y311 HydrophobicContact CD1-CE1 3.43Å; I309-Y311 VanDerWaalsContact CD1-CE1 3.43Å; I309-Y311 WeakPolarHBondContact CD1-OH 3.3Å; I309-Y311 HydrophobicContact CG1-CD1 4.24Å; I309-Y311 HydrophobicContact CG1-CE1 3.71Å; I309-Y311 HydrophobicContact CG1-CE2 4.25Å; I309-Y311 HydrophobicContact CG2-CE2 3.94Å; I309-L364 HydrophobicContact CB-CD1 4.04Å; I309-L364 HydrophobicContact CG2-CD1 3.74Å; I309-L364 HydrophobicContact CG2-CD2 4.4Å; I309-L364 HydrophobicContact CG2-CG 4.06Å; I309-T365 WeakPolarHBondContact CG2-O 3.48Å; I309-T365 PolarHBondContact N-O 3.27Å; I309-A366 HydrophobicContact CG2-CB 3.88Å; I309-A366 CarbonylContact O-C 3.5Å; I309-A366 WeakPolarHBondContact O-CA 3.43Å; I309-L367 PolarHBondContact O-N 3.41Å
310I98.9Very high97.4Very high0 Ų018.2 Ų18.20%010%0.103CC..EExtended strand (participates in β ladder)trans-119.6129.1178.8-50.7-170.3000108.3A222 I226 I245 Y246 V247 L308 L367 V369A222-I310 HydrophobicContact CB-CD1 3.58Å; A222-I310 HydrophobicContact CB-CG2 3.72Å; A222-I310 WeakPolarHBondContact O-CD1 3.39Å; I226-I310 HydrophobicContact CD1-CD1 3.74Å; I226-I310 HydrophobicContact CG1-CD1 3.86Å; I245-I310 PolarHBondContact O-N 3.27Å; Y246-I310 HydrophobicContact CD2-CB 3.99Å; Y246-I310 HydrophobicContact CD2-CD1 4.42Å; Y246-I310 HydrophobicContact CD2-CG2 4.01Å; Y246-I310 HydrophobicContact CE2-CG2 4.03Å; V247-I310 WeakPolarHBondContact CB-O 3.47Å; V247-I310 PolarHBondContact N-O 2.63Å; L308-I310 HydrophobicContact CD2-CD1 4.37Å; L308-I310 HydrophobicContact CG-CG1 4.3Å; I310-L367 WeakPolarHBondContact CA-O 3.37Å; I310-L367 HydrophobicContact CD1-CD1 4.33Å; I310-L367 HydrophobicContact CG1-CB 4.27Å; I310-L367 HydrophobicContact CG1-CD1 4.4Å; I310-V369 HydrophobicContact CG2-CG2 4.36Å
311Y98.8Very high97.3Very high0 Ų018.9 Ų18.90%011%0.106CC..EExtended strand (participates in β ladder)trans-111.6107.3177.9-51.5-77.2000109.9V247 P290 I309 L314 L348 L349 A366 L367 P368 V369V247-Y311 HydrophobicContact CB-CD1 4.16Å; V247-Y311 HydrophobicContact CG2-CD1 4.03Å; V247-Y311 HydrophobicContact CG2-CE1 4.32Å; P290-Y311 HydrophobicContact CB-CD1 3.8Å; P290-Y311 HydrophobicContact CB-CE1 3.94Å; I309-Y311 HydrophobicContact CD1-CD1 4.31Å; I309-Y311 HydrophobicContact CD1-CE1 3.43Å; I309-Y311 VanDerWaalsContact CD1-CE1 3.43Å; I309-Y311 WeakPolarHBondContact CD1-OH 3.3Å; I309-Y311 HydrophobicContact CG1-CD1 4.24Å; I309-Y311 HydrophobicContact CG1-CE1 3.71Å; I309-Y311 HydrophobicContact CG1-CE2 4.25Å; I309-Y311 HydrophobicContact CG2-CE2 3.94Å; Y311-L314 HydrophobicContact CD1-CD2 4.37Å; Y311-L314 HydrophobicContact CG-CD2 3.95Å; Y311-L314 HydrophobicContact CG-CG 4.43Å; Y311-L348 HydrophobicContact CE1-CD1 4.24Å; Y311-L348 HydrophobicContact CE1-CD2 4.27Å; Y311-L349 HydrophobicContact CD2-CD2 4.16Å; Y311-L349 HydrophobicContact CE2-CD2 3.79Å; Y311-A366 HydrophobicContact CE2-CB 4.12Å; Y311-L367 PolarHBondContact N-O 2.86Å; Y311-P368 HydrophobicContact CD2-CB 4.17Å; Y311-V369 WeakPolarHBondContact O-CA 3.24Å; Y311-V369 WeakPolarHBondContact O-CB 3.12Å; Y311-V369 WeakPolarHBondContact O-CG2 3.27Å; Y311-V369 PolarHBondContact O-N 3.44Å
312D97.9Very high97.3Very high4 Ų422 Ų222%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-120.887.6-173.9-165.7-21.1000111.5T219 Y246 V247 I249 Q251 V369T219-D312 WeakPolarHBondContact CB-OD2 3.12Å; T219-D312 WeakPolarHBondContact CG2-OD2 3.5Å; T219-D312 PolarHBondContact OG1-OD2 3.28Å; Y246-D312 HydrophobicContact CE1-CB 4.41Å; Y246-D312 HydrophobicContact CE2-CB 4.11Å; Y246-D312 VanDerWaalsContact OH-CB 3.28Å; Y246-D312 WeakPolarHBondContact OH-CB 3.45Å; Y246-D312 PolarHBondContact OH-OD2 3.49Å; V247-D312 PolarHBondContact O-N 2.67Å; I249-D312 PolarHBondContact N-O 3.11Å; Q251-D312 WeakPolarHBondContact CG-O 3.35Å; Q251-D312 PolarHBondContact NE2-O 3.06Å; Q251-D312 PolarHBondContact NE2-OD1 3.49Å; D312-V369 HydrophobicContact CB-CG2 4.32Å
313D96.8Very high97.1Very high2 Ų224 Ų241%0.01113%0.125CC..THydrogen-bonded Turncis-133.5158.60.864.840.4000112.7I249 S315 K316 Q317 V369I249-D313 VanDerWaalsContact CD1-O 3.3Å; I249-D313 WeakPolarHBondContact CD1-O 3.49Å; D313-S315 VanDerWaalsContact C-N 3.26Å; D313-S315 PolarHBondContact O-N 3.33Å; D313-S315 WeakPolarHBondContact OD1-CB 3.35Å; D313-S315 PolarHBondContact OD1-N 3.11Å; D313-K316 PolarHBondContact O-N 2.99Å; D313-K316 WeakPolarHBondContact OD1-CB 3.35Å; D313-K316 WeakPolarHBondContact OD1-CG 3.45Å; D313-K316 PolarHBondContact OD1-N 2.88Å; D313-K316 IonicContact OD1-NZ 3.93Å; D313-K316 IonicContact OD2-NZ 3.76Å; D313-K316 PolarHBondContact OD2-NZ 2.85Å; D313-Q317 PolarHBondContact O-N 3.04Å; D313-V369 HydrophobicContact CB-CB 3.98Å; D313-V369 HydrophobicContact CB-CG1 4.05Å; D313-V369 WeakPolarHBondContact CB-O 3.43Å
314L98Very high96.9Very high0 Ų019.9 Ų19.90%010%0.103CC..Hα-helixtrans-74.4-17.9-179.6-65.2-173.4000112.5I249 P290 Y311 K316 Q317 A318 L348 L349 P368 V369 I370I249-L314 HydrophobicContact CD1-CD2 4.12Å; P290-L314 HydrophobicContact CB-CD2 4.38Å; P290-L314 HydrophobicContact CG-CD2 4.3Å; Y311-L314 HydrophobicContact CD1-CD2 4.37Å; Y311-L314 HydrophobicContact CG-CD2 3.95Å; Y311-L314 HydrophobicContact CG-CG 4.43Å; L314-K316 VanDerWaalsContact C-N 3.32Å; L314-K316 PolarHBondContact O-N 3.35Å; L314-Q317 PolarHBondContact O-N 2.76Å; L314-A318 PolarHBondContact O-N 3.34Å; L314-L348 HydrophobicContact CD2-CD2 3.97Å; L314-L349 HydrophobicContact CD1-CD1 4.32Å; L314-L349 HydrophobicContact CD1-CD2 4.31Å; L314-P368 HydrophobicContact CD1-CB 3.5Å; L314-P368 VanDerWaalsContact CD1-CB 3.5Å; L314-P368 HydrophobicContact CG-CB 4.19Å; L314-V369 PolarHBondContact N-O 2.77Å; L314-I370 HydrophobicContact CB-CD1 3.69Å
315S96.6Very high96.8Very high20 Ų2018.5 Ų18.514%0.149%0.089CC..Hα-helixtrans-60.2-45.2172.1-61.60000110.2D313 A318 V319 I370 E371D313-S315 VanDerWaalsContact C-N 3.26Å; D313-S315 PolarHBondContact O-N 3.33Å; D313-S315 WeakPolarHBondContact OD1-CB 3.35Å; D313-S315 PolarHBondContact OD1-N 3.11Å; S315-A318 PolarHBondContact O-N 2.89Å; S315-V319 WeakPolarHBondContact O-CG2 3.4Å; S315-V319 PolarHBondContact O-N 3.34Å; S315-V319 VanDerWaalsContact O-N 3.08Å; S315-I370 WeakPolarHBondContact OG-CD1 3.5Å; S315-E371 PolarHBondContact OG-N 3.46Å; S315-E371 VanDerWaalsContact OG-N 3.09Å; S315-E371 PolarHBondContact OG-O 3.49Å
316K97Very high96.6Very high55 Ų5520.3 Ų20.324%0.23910%0.1CC..Hα-helixtrans-68.6-34.5176.1-69.3172.7-169.5101.20112.6I249 D313 L314 A318 V319 A320I249-K316 HydrophobicContact CG2-CB 4.17Å; I249-K316 WeakPolarHBondContact O-CD 3.28Å; D313-K316 PolarHBondContact O-N 2.99Å; D313-K316 WeakPolarHBondContact OD1-CB 3.35Å; D313-K316 WeakPolarHBondContact OD1-CG 3.45Å; D313-K316 PolarHBondContact OD1-N 2.88Å; D313-K316 IonicContact OD1-NZ 3.93Å; D313-K316 IonicContact OD2-NZ 3.76Å; D313-K316 PolarHBondContact OD2-NZ 2.85Å; L314-K316 VanDerWaalsContact C-N 3.32Å; L314-K316 PolarHBondContact O-N 3.35Å; K316-A318 VanDerWaalsContact C-N 3.35Å; K316-V319 PolarHBondContact O-N 2.81Å; K316-A320 WeakPolarHBondContact O-CB 3.21Å; K316-A320 PolarHBondContact O-N 2.96Å
317Q97.9Very high96.2Very high0 Ų022.6 Ų22.60%011%0.112CC..Hα-helixtrans-60.5-45.5172-166.2-165.114.700111.2I249 Y287 P290 D313 L314 V319 A320 Y321I249-Q317 HydrophobicContact CG2-CB 4.23Å; Y287-Q317 PolarHBondContact O-NE2 2.7Å; P290-Q317 HydrophobicContact CG-CB 4.45Å; P290-Q317 HydrophobicContact CG-CG 4.01Å; D313-Q317 PolarHBondContact O-N 3.04Å; L314-Q317 PolarHBondContact O-N 2.76Å; Q317-V319 VanDerWaalsContact C-N 3.33Å; Q317-V319 PolarHBondContact O-N 3.14Å; Q317-A320 PolarHBondContact O-N 2.67Å; Q317-Y321 PolarHBondContact O-N 3.16Å
318A97.1Very high95.7Very high0 Ų023.6 Ų23.60%012%0.117CC..Hα-helixtrans-61.6-41.8177.900000111.7L314 S315 K316 Y321 R322 Y337 V341 I381L314-A318 PolarHBondContact O-N 3.34Å; S315-A318 PolarHBondContact O-N 2.89Å; K316-A318 VanDerWaalsContact C-N 3.35Å; A318-Y321 PolarHBondContact O-N 3.47Å; A318-R322 WeakPolarHBondContact O-CB 3.43Å; A318-R322 PolarHBondContact O-N 3.31Å; A318-Y337 HydrophobicContact CB-CD1 4.39Å; A318-Y337 HydrophobicContact CB-CE1 3.72Å; A318-Y337 WeakPolarHBondContact O-CE1 3.32Å; A318-V341 HydrophobicContact CB-CG2 4.31Å; A318-I381 HydrophobicContact CB-CD1 3.83Å; A318-I381 HydrophobicContact CB-CG1 4.02Å; A318-I381 HydrophobicContact CB-CG2 4.3Å
319V96.8Very high95.2Very high60 Ų6032.8 Ų32.836%0.36415%0.152SC..Hα-helixtrans-63-43.2176172.10000111.3S315 K316 Q317 R322 Q323S315-V319 WeakPolarHBondContact O-CG2 3.4Å; S315-V319 PolarHBondContact O-N 3.34Å; S315-V319 VanDerWaalsContact O-N 3.08Å; K316-V319 PolarHBondContact O-N 2.81Å; Q317-V319 VanDerWaalsContact C-N 3.33Å; Q317-V319 PolarHBondContact O-N 3.14Å; V319-R322 WeakPolarHBondContact O-CB 3.41Å; V319-R322 PolarHBondContact O-N 3.46Å; V319-Q323 PolarHBondContact O-N 3.43Å
320A96.1Very high94.7Very high2 Ų236.2 Ų36.22%0.01717%0.165CC..Hα-helixtrans-61.9-43.2175.600000111.6A283 Q286 K316 Q317 R322 Q323 M324A283-A320 HydrophobicContact CB-CB 4.21Å; Q286-A320 HydrophobicContact CB-CB 3.94Å; K316-A320 WeakPolarHBondContact O-CB 3.21Å; K316-A320 PolarHBondContact O-N 2.96Å; Q317-A320 PolarHBondContact O-N 2.67Å; A320-R322 PolarHBondContact O-N 2.84Å; A320-Q323 PolarHBondContact O-N 2.67Å; A320-M324 WeakPolarHBondContact O-CG 3.43Å; A320-M324 PolarHBondContact O-N 2.93Å
321Y95.5Very high94.4Very high14 Ų1441.4 Ų41.46%0.05520%0.199CC..Hα-helixtrans-64-40.9176-171.8-130.5000112.4Y287 Q317 A318 Q323 M324 S325 R330 P338 D340 L344Y287-Y321 AromaticContact CD2-CD2 3.52Å; Y287-Y321 HydrophobicContact CD2-CD2 3.52Å; Y287-Y321 HydrophobicContact CD2-CE2 4.37Å; Y287-Y321 HydrophobicContact CD2-CG 4.01Å; Y287-Y321 AromaticContact CE2-CD2 3.29Å; Y287-Y321 HydrophobicContact CE2-CD2 3.29Å; Y287-Y321 AromaticContact CE2-CE2 3.71Å; Y287-Y321 HydrophobicContact CE2-CE2 3.71Å; Y287-Y321 AromaticContact CE2-CG 3.98Å; Y287-Y321 HydrophobicContact CE2-CG 3.98Å; Q317-Y321 PolarHBondContact O-N 3.16Å; A318-Y321 PolarHBondContact O-N 3.47Å; Y321-Q323 PolarHBondContact O-N 2.72Å; Y321-M324 PolarHBondContact O-N 3.15Å; Y321-S325 VanDerWaalsContact O-CB 3.29Å; Y321-S325 WeakPolarHBondContact O-CB 3.48Å; Y321-S325 PolarHBondContact O-N 3.41Å; Y321-R330 PolarHBondContact OH-NH1 2.73Å; Y321-P338 HydrophobicContact CD1-CG 3.58Å; Y321-P338 HydrophobicContact CE1-CB 4.36Å; Y321-P338 HydrophobicContact CE1-CG 3.36Å; Y321-D340 WeakPolarHBondContact CE1-OD1 3.22Å; Y321-D340 VanDerWaalsContact OH-CG 3.24Å; Y321-D340 PolarHBondContact OH-OD1 2.9Å; Y321-D340 VanDerWaalsContact OH-OD1 3.13Å; Y321-D340 PolarHBondContact OH-OD2 2.79Å; Y321-L344 HydrophobicContact CD1-CD1 4.34Å; Y321-L344 HydrophobicContact CD1-CD2 3.88Å; Y321-L344 HydrophobicContact CG-CD1 4.32Å; Y321-L344 HydrophobicContact CG-CD2 4.02Å
322R95.9Very high94.2Very high73 Ų7345.2 Ų45.228%0.27522%0.223SC..Hα-helixtrans-58.1-47.4174.3-177.1176.568.1177.4-0.5111.5A318 V319 A320 S325 L326 E335 A336 Y337A318-R322 WeakPolarHBondContact O-CB 3.43Å; A318-R322 PolarHBondContact O-N 3.31Å; V319-R322 WeakPolarHBondContact O-CB 3.41Å; V319-R322 PolarHBondContact O-N 3.46Å; A320-R322 PolarHBondContact O-N 2.84Å; R322-S325 PolarHBondContact O-N 3.34Å; R322-L326 HydrophobicContact CG-CD1 3.99Å; R322-L326 HydrophobicContact CG-CG 4.45Å; R322-L326 VanDerWaalsContact O-CG 3.29Å; R322-L326 WeakPolarHBondContact O-CG 3.48Å; R322-L326 PolarHBondContact O-N 2.85Å; R322-E335 PolarHBondContact NH1-O 3.01Å; R322-A336 WeakPolarHBondContact CD-O 3.45Å; R322-A336 VanDerWaalsContact CG-O 3.27Å; R322-A336 WeakPolarHBondContact CG-O 3.48Å; R322-Y337 HydrophobicContact CB-CD1 3.77Å; R322-Y337 HydrophobicContact CB-CE1 4.01Å; R322-Y337 HydrophobicContact CG-CD1 4.19Å
323Q94.1Very high94Very high101 Ų10147 Ų4747%0.47224%0.243SC..Hα-helixtrans-58.1-51177.4179.1-179.7-13.200111.2V319 A320 Y321 S325 L326 L327V319-Q323 PolarHBondContact O-N 3.43Å; A320-Q323 PolarHBondContact O-N 2.67Å; Y321-Q323 PolarHBondContact O-N 2.72Å; Q323-S325 VanDerWaalsContact C-N 3.31Å; Q323-S325 PolarHBondContact O-N 3.01Å; Q323-L326 PolarHBondContact O-N 3.39Å; Q323-L327 HydrophobicContact CG-CD1 4Å; Q323-L327 WeakPolarHBondContact O-CG 3.34Å; Q323-L327 PolarHBondContact O-N 2.85Å; Q323-L327 VanDerWaalsContact O-N 3.09Å
324M91.6Very high93.8Very high5 Ų553.8 Ų53.83%0.02527%0.268CS..Hα-helixtrans-57.5-45.6178-69167.857.700111.8L107 V117 A283 P284 Y287 A320 Y321 L326 L327 L328L107-M324 HydrophobicContact CD1-CE 3.52Å; V117-M324 HydrophobicContact CG1-CE 4.13Å; V117-M324 HydrophobicContact CG2-CE 4.45Å; A283-M324 HydrophobicContact CB-CG 4.37Å; P284-M324 HydrophobicContact CB-CE 4.29Å; P284-M324 HydrophobicContact CB-SD 4.12Å; P284-M324 HydrophobicContact CG-CG 4.35Å; P284-M324 HydrophobicContact CG-SD 4.22Å; Y287-M324 HydrophobicContact CD1-CE 4.14Å; Y287-M324 HydrophobicContact CD1-SD 4.4Å; Y287-M324 HydrophobicContact CD2-SD 4.35Å; Y287-M324 HydrophobicContact CG-CE 4.15Å; Y287-M324 HydrophobicContact CG-SD 3.9Å; A320-M324 WeakPolarHBondContact O-CG 3.43Å; A320-M324 PolarHBondContact O-N 2.93Å; Y321-M324 PolarHBondContact O-N 3.15Å; M324-L326 PolarHBondContact O-N 3.4Å; M324-L327 PolarHBondContact O-N 3.03Å; M324-L328 WeakPolarHBondContact O-CB 3.44Å; M324-L328 WeakPolarHBondContact O-CG 3.39Å; M324-L328 PolarHBondContact O-N 3.43Å
325S92.4Very high93.4Very high3 Ų358 Ų582%0.02129%0.288CS..Hα-helixtrans-64.1-40.8-178-172.50000112.8Y321 R322 Q323 L328 R329 R330 P338Y321-S325 VanDerWaalsContact O-CB 3.29Å; Y321-S325 WeakPolarHBondContact O-CB 3.48Å; Y321-S325 PolarHBondContact O-N 3.41Å; R322-S325 PolarHBondContact O-N 3.34Å; Q323-S325 VanDerWaalsContact C-N 3.31Å; Q323-S325 PolarHBondContact O-N 3.01Å; S325-L328 CarbonylContact O-C 3.5Å; S325-L328 PolarHBondContact O-N 2.81Å; S325-R329 PolarHBondContact O-N 3.23Å; S325-R330 WeakPolarHBondContact O-CB 3.45Å; S325-R330 PolarHBondContact O-N 3.22Å; S325-R330 VanDerWaalsContact OG-CB 3.31Å; S325-R330 WeakPolarHBondContact OG-CB 3.46Å; S325-P338 WeakPolarHBondContact OG-CB 3.4Å
326L92.4Very high93.4Very high77 Ų7758.9 Ų58.940%0.40330%0.297SS..Hα-helixtrans-67.1-41.2177.8-71.6172.1000111.8R322 Q323 M324 L328 R329 P332R322-L326 HydrophobicContact CG-CD1 3.99Å; R322-L326 HydrophobicContact CG-CG 4.45Å; R322-L326 VanDerWaalsContact O-CG 3.29Å; R322-L326 WeakPolarHBondContact O-CG 3.48Å; R322-L326 PolarHBondContact O-N 2.85Å; Q323-L326 PolarHBondContact O-N 3.39Å; M324-L326 PolarHBondContact O-N 3.4Å; L326-L328 VanDerWaalsContact C-N 3.33Å; L326-R329 WeakPolarHBondContact O-CA 3.42Å; L326-R329 PolarHBondContact O-N 3.18Å; L326-P332 HydrophobicContact CD2-CB 3.96Å; L326-P332 HydrophobicContact CD2-CG 4.3Å
327L90.7Very high93.3Very high59 Ų5957.1 Ų57.131%0.30929%0.289SS..Hα-helixtrans-67.5-34.8177.1-68.1172.7000111.8D79 I81 Q323 M324 R329D79-L327 HydrophobicContact CB-CD1 3.85Å; D79-L327 HydrophobicContact CB-CD2 3.76Å; D79-L327 HydrophobicContact CB-CG 4.45Å; D79-L327 WeakPolarHBondContact O-CD1 3.21Å; I81-L327 HydrophobicContact CD1-CB 3.29Å; I81-L327 HydrophobicContact CD1-CD1 4.4Å; I81-L327 HydrophobicContact CD1-CG 4.49Å; I81-L327 HydrophobicContact CG1-CB 4.08Å; I81-L327 HydrophobicContact CG1-CD1 4.48Å; Q323-L327 HydrophobicContact CG-CD1 4Å; Q323-L327 WeakPolarHBondContact O-CG 3.34Å; Q323-L327 PolarHBondContact O-N 2.85Å; Q323-L327 VanDerWaalsContact O-N 3.09Å; M324-L327 PolarHBondContact O-N 3.03Å; L327-R329 PolarHBondContact O-N 2.81Å
328L87.4Confident93.1Very high20 Ų2057.3 Ų57.311%0.10529%0.29CS..THydrogen-bonded Turntrans-73.13.6168.9-70.6174.1000113.7I81 L107 V117 M324 S325 L326 R330I81-L328 HydrophobicContact CD1-CD2 3.71Å; I81-L328 HydrophobicContact CD1-CG 3.64Å; I81-L328 HydrophobicContact CG2-CD2 3.96Å; L107-L328 HydrophobicContact CB-CD1 4.04Å; L107-L328 HydrophobicContact CD1-CD1 3.89Å; V117-L328 HydrophobicContact CG2-CD1 4.34Å; V117-L328 HydrophobicContact CG2-CD2 4.47Å; M324-L328 WeakPolarHBondContact O-CB 3.44Å; M324-L328 WeakPolarHBondContact O-CG 3.39Å; M324-L328 PolarHBondContact O-N 3.43Å; S325-L328 CarbonylContact O-C 3.5Å; S325-L328 PolarHBondContact O-N 2.81Å; L326-L328 VanDerWaalsContact C-N 3.33Å; L328-R330 HydrophobicContact CB-CG 4.28Å; L328-R330 PolarHBondContact O-N 3.32Å; L328-R330 VanDerWaalsContact O-N 3.15Å
329R88.1Confident92.8Very high194 Ų19460.4 Ų60.473%0.73232%0.322SS*.THydrogen-bonded Turntrans55.328.8-179.6-56.2-174.2176.8-174.60.8114S325 L326 L327S325-R329 PolarHBondContact O-N 3.23Å; L326-R329 WeakPolarHBondContact O-CA 3.42Å; L326-R329 PolarHBondContact O-N 3.18Å; L327-R329 PolarHBondContact O-N 2.81Å
330R89.4Confident92.6Very high71 Ų7160.3 Ų60.327%0.26832%0.319SS..PPolyproline II helixtrans-70.9140.1171.1-66.2-178.5177.6-168.7-0.9108.9N108 Y321 S325 L328N108-R330 PolarHBondContact OD1-NE 3.45Å; N108-R330 PolarHBondContact OD1-NH2 3.2Å; Y321-R330 PolarHBondContact OH-NH1 2.73Å; S325-R330 WeakPolarHBondContact O-CB 3.45Å; S325-R330 PolarHBondContact O-N 3.22Å; S325-R330 VanDerWaalsContact OG-CB 3.31Å; S325-R330 WeakPolarHBondContact OG-CB 3.46Å; L328-R330 HydrophobicContact CB-CG 4.28Å; L328-R330 PolarHBondContact O-N 3.32Å; L328-R330 VanDerWaalsContact O-N 3.15Å
331P92.1Very high92.6Very high110 Ų11060.2 Ų60.271%0.71432%0.318SS*.PPolyproline II helixtrans-56.4126.8179.5-26.834.9000112.3
332P95.1Very high92.7Very high79 Ų7963.7 Ų63.751%0.51333%0.334SS..BIsolated β-bridgetrans-78.5152.1175.330.9-33.1000111.8L326 A336L326-P332 HydrophobicContact CD2-CB 3.96Å; L326-P332 HydrophobicContact CD2-CG 4.3Å; P332-A336 HydrophobicContact CB-CB 4.39Å
333G93.1Very high92.6Very high43 Ų4366.9 Ų66.944%0.44335%0.347SS..  trans-111-142.7171.600000112.4A336 Y337G333-A336 PolarHBondContact O-N 2.96Å; G333-Y337 VanDerWaalsContact CA-O 3.32Å; G333-Y337 WeakPolarHBondContact CA-O 3.42Å; G333-Y337 PolarHBondContact N-O 2.82Å
334R92.3Very high92.7Very high144 Ų14462.2 Ų62.254%0.54333%0.325SS..G310 helixtrans-59.6135.2179.9-177.3175.5172.4178.9-2.7111.1A336 Y337 S378 Y380R334-A336 PolarHBondContact O-N 3.49Å; R334-A336 VanDerWaalsContact O-N 3.09Å; R334-Y337 PolarHBondContact O-N 2.97Å; R334-S378 PolarHBondContact NH2-O 3.42Å; R334-Y380 HydrophobicContact CB-CD1 4.29Å; R334-Y380 HydrophobicContact CB-CE1 4.39Å; R334-Y380 HydrophobicContact CB-CG 4.48Å; R334-Y380 HydrophobicContact CG-CG 4.33Å
335E90.6Very high93Very high87 Ų8762 Ų6241%0.40732%0.324SS..G310 helixtrans53.828.4-178-65.3164.8-142.100113.4R322 Y337 Y380R322-E335 PolarHBondContact NH1-O 3.01Å; E335-Y337 HydrophobicContact CB-CD2 3.78Å; E335-Y337 HydrophobicContact CB-CE2 3.94Å; E335-Y337 PolarHBondContact O-N 3.42Å; E335-Y380 VanDerWaalsContact OE1-CB 3.31Å; E335-Y380 WeakPolarHBondContact OE1-CB 3.28Å; E335-Y380 PolarHBondContact OE1-N 3.29Å
336A94.7Very high93.2Very high39 Ų3962.9 Ų62.932%0.32233%0.33SS..G310 helixtrans62.27.7-175.200000115.9R322 P332 G333 R334R322-A336 WeakPolarHBondContact CD-O 3.45Å; R322-A336 VanDerWaalsContact CG-O 3.27Å; R322-A336 WeakPolarHBondContact CG-O 3.48Å; P332-A336 HydrophobicContact CB-CB 4.39Å; G333-A336 PolarHBondContact O-N 2.96Å; R334-A336 PolarHBondContact O-N 3.49Å; R334-A336 VanDerWaalsContact O-N 3.09Å
337Y95.5Very high93.4Very high19 Ų1962 Ų628%0.07532%0.322CS..  trans-70.8147.6172.6-70.4-78.8000111.1A318 R322 G333 R334 E335 V341 Y380 I381A318-Y337 HydrophobicContact CB-CD1 4.39Å; A318-Y337 HydrophobicContact CB-CE1 3.72Å; A318-Y337 WeakPolarHBondContact O-CE1 3.32Å; R322-Y337 HydrophobicContact CB-CD1 3.77Å; R322-Y337 HydrophobicContact CB-CE1 4.01Å; R322-Y337 HydrophobicContact CG-CD1 4.19Å; G333-Y337 VanDerWaalsContact CA-O 3.32Å; G333-Y337 WeakPolarHBondContact CA-O 3.42Å; G333-Y337 PolarHBondContact N-O 2.82Å; R334-Y337 PolarHBondContact O-N 2.97Å; E335-Y337 HydrophobicContact CB-CD2 3.78Å; E335-Y337 HydrophobicContact CB-CE2 3.94Å; E335-Y337 PolarHBondContact O-N 3.42Å; Y337-V341 HydrophobicContact CD1-CG2 4.07Å; Y337-Y380 AromaticContact CD2-CD1 3.82Å; Y337-Y380 HydrophobicContact CD2-CD1 3.82Å; Y337-Y380 HydrophobicContact CD2-CE1 4.47Å; Y337-Y380 HydrophobicContact CG-CD1 4.27Å; Y337-I381 HydrophobicContact CD1-CD1 4.04Å; Y337-I381 HydrophobicContact CD2-CD1 4.21Å; Y337-I381 HydrophobicContact CD2-CG1 4.37Å; Y337-I381 HydrophobicContact CE1-CD1 3.94Å; Y337-I381 HydrophobicContact CE1-CG1 4.01Å; Y337-I381 HydrophobicContact CE2-CD1 4.08Å; Y337-I381 HydrophobicContact CE2-CG1 3.76Å; Y337-I381 HydrophobicContact CG-CD1 4.19Å
338P93.9Very high93.7Very high3 Ų359.2 Ų59.22%0.01931%0.307CS..BIsolated β-bridgetrans-66155.917428.9-34.9000112.1Y321 S325 D340 V341Y321-P338 HydrophobicContact CD1-CG 3.58Å; Y321-P338 HydrophobicContact CE1-CB 4.36Å; Y321-P338 HydrophobicContact CE1-CG 3.36Å; S325-P338 WeakPolarHBondContact OG-CB 3.4Å; P338-D340 WeakPolarHBondContact CB-OD1 3.48Å; P338-D340 PolarHBondContact O-N 2.71Å; P338-D340 VanDerWaalsContact O-N 3.12Å; P338-V341 HydrophobicContact CG-CB 4.43Å; P338-V341 WeakPolarHBondContact O-CG1 3.49Å; P338-V341 PolarHBondContact O-N 3.04Å; P338-V341 VanDerWaalsContact O-N 3.15Å
339G91.1Very high94.2Very high65 Ų6558.3 Ų58.367%0.6730%0.302SS*.THydrogen-bonded Turntrans-60.8-21.8-177.100000114.5
340D93.6Very high94.7Very high59 Ų5952 Ų5232%0.31628%0.281SS..THydrogen-bonded Turntrans-99.212-178.968.1-20.6000113.7Y321 P338 F342 Y343 L344Y321-D340 WeakPolarHBondContact CE1-OD1 3.22Å; Y321-D340 VanDerWaalsContact OH-CG 3.24Å; Y321-D340 PolarHBondContact OH-OD1 2.9Å; Y321-D340 VanDerWaalsContact OH-OD1 3.13Å; Y321-D340 PolarHBondContact OH-OD2 2.79Å; P338-D340 WeakPolarHBondContact CB-OD1 3.48Å; P338-D340 PolarHBondContact O-N 2.71Å; P338-D340 VanDerWaalsContact O-N 3.12Å; D340-F342 PolarHBondContact O-N 2.84Å; D340-Y343 WeakPolarHBondContact O-CA 3.38Å; D340-Y343 VanDerWaalsContact O-CB 3.31Å; D340-Y343 WeakPolarHBondContact O-CB 3.38Å; D340-Y343 PolarHBondContact O-N 3.24Å; D340-L344 PolarHBondContact O-N 2.93Å
341V95.3Very high95.1Very high0 Ų048.8 Ų48.80%027%0.269CS..Hα-helixtrans-60.6-28.3176.271.80000112.8A318 Y337 P338 L344 Y380 I381A318-V341 HydrophobicContact CB-CG2 4.31Å; Y337-V341 HydrophobicContact CD1-CG2 4.07Å; P338-V341 HydrophobicContact CG-CB 4.43Å; P338-V341 WeakPolarHBondContact O-CG1 3.49Å; P338-V341 PolarHBondContact O-N 3.04Å; P338-V341 VanDerWaalsContact O-N 3.15Å; V341-L344 WeakPolarHBondContact O-CB 3.38Å; V341-L344 PolarHBondContact O-N 2.95Å; V341-Y380 HydrophobicContact CG1-CD1 4.33Å; V341-Y380 HydrophobicContact CG1-CE1 3.45Å; V341-Y380 VanDerWaalsContact CG1-CE1 3.45Å; V341-I381 HydrophobicContact CG1-CD1 4.27Å; V341-I381 HydrophobicContact CG2-CD1 3.71Å
342F96.6Very high95.3Very high86 Ų8643.6 Ų43.638%0.37724%0.235SC..Hα-helixtrans-66.2-41.3170.8-179.4-89000111.3D340 L344 H345 S346 N384 S387 I388D340-F342 PolarHBondContact O-N 2.84Å; F342-L344 VanDerWaalsContact C-N 3.29Å; F342-L344 PolarHBondContact O-N 2.81Å; F342-H345 PolarHBondContact O-N 2.94Å; F342-S346 WeakPolarHBondContact O-CB 3.4Å; F342-S346 PolarHBondContact O-N 2.99Å; F342-S346 PolarHBondContact O-OG 3.45Å; F342-N384 HydrophobicContact CD2-CB 3.97Å; F342-S387 WeakPolarHBondContact CE2-OG 3.32Å; F342-I388 HydrophobicContact CD2-CD1 4.03Å; F342-I388 HydrophobicContact CD2-CG1 4.43Å; F342-I388 HydrophobicContact CE2-CD1 3.74Å; F342-I388 HydrophobicContact CE2-CG1 3.64Å; F342-I388 HydrophobicContact CZ-CD1 4.09Å; F342-I388 HydrophobicContact CZ-CG1 3.73Å
343Y95.4Very high95.4Very high141 Ų14140 Ų4055%0.55321%0.212SC*.Hα-helixtrans-63.8-36.1177.9-176-118.8000111.7D340 H345 S346 R347D340-Y343 WeakPolarHBondContact O-CA 3.38Å; D340-Y343 VanDerWaalsContact O-CB 3.31Å; D340-Y343 WeakPolarHBondContact O-CB 3.38Å; D340-Y343 PolarHBondContact O-N 3.24Å; Y343-H345 PolarHBondContact O-N 2.67Å; Y343-S346 VanDerWaalsContact CA-OG 3.26Å; Y343-S346 WeakPolarHBondContact CA-OG 3.38Å; Y343-S346 PolarHBondContact O-OG 3.2Å; Y343-R347 HydrophobicContact CD2-CB 4.45Å; Y343-R347 HydrophobicContact CE2-CB 4.08Å; Y343-R347 VanDerWaalsContact O-CB 3.32Å; Y343-R347 WeakPolarHBondContact O-CB 3.26Å; Y343-R347 WeakPolarHBondContact O-CG 3.4Å; Y343-R347 PolarHBondContact O-N 3.49Å
344L95.5Very high95.7Very high3 Ų338.7 Ų38.72%0.01619%0.194CC..Hα-helixtrans-52.1-56.5174-177.279.3000112.3Y287 Y291 Y321 D340 V341 F342 R347 L348Y287-L344 HydrophobicContact CD2-CD1 3.95Å; Y287-L344 HydrophobicContact CE2-CD1 3.28Å; Y291-L344 HydrophobicContact CE2-CD1 3.96Å; Y291-L344 WeakPolarHBondContact OH-CD1 3.23Å; Y291-L344 PolarHBondContact OH-O 2.84Å; Y321-L344 HydrophobicContact CD1-CD1 4.34Å; Y321-L344 HydrophobicContact CD1-CD2 3.88Å; Y321-L344 HydrophobicContact CG-CD1 4.32Å; Y321-L344 HydrophobicContact CG-CD2 4.02Å; D340-L344 PolarHBondContact O-N 2.93Å; V341-L344 WeakPolarHBondContact O-CB 3.38Å; V341-L344 PolarHBondContact O-N 2.95Å; F342-L344 VanDerWaalsContact C-N 3.29Å; F342-L344 PolarHBondContact O-N 2.81Å; L344-R347 WeakPolarHBondContact O-CG 3.48Å; L344-L348 WeakPolarHBondContact O-CB 3.44Å; L344-L348 PolarHBondContact O-N 2.66Å
345H97.8Very high95.9Very high0 Ų032.3 Ų32.30%017%0.171CC..Hα-helixtrans-77.4-35.3-176.3-64151.8000112.4F342 Y343 L348 L349 I388F342-H345 PolarHBondContact O-N 2.94Å; Y343-H345 PolarHBondContact O-N 2.67Å; H345-L348 PolarHBondContact O-N 3.4Å; H345-L349 WeakPolarHBondContact O-CB 3.31Å; H345-L349 WeakPolarHBondContact O-CG 3.31Å; H345-L349 PolarHBondContact O-N 3.15Å; H345-I388 HydrophobicContact CB-CD1 3.89Å
346S96.8Very high96.2Very high21 Ų2129.5 Ų29.515%0.14716%0.159CC..Hα-helixtrans-65.6-47.2178.5540000111.6F342 Y343 L348 L349 E350F342-S346 WeakPolarHBondContact O-CB 3.4Å; F342-S346 PolarHBondContact O-N 2.99Å; F342-S346 PolarHBondContact O-OG 3.45Å; Y343-S346 VanDerWaalsContact CA-OG 3.26Å; Y343-S346 WeakPolarHBondContact CA-OG 3.38Å; Y343-S346 PolarHBondContact O-OG 3.2Å; S346-L348 PolarHBondContact O-N 3.25Å; S346-L349 PolarHBondContact O-N 3.38Å; S346-E350 WeakPolarHBondContact O-CB 3.27Å; S346-E350 WeakPolarHBondContact O-CG 3.49Å; S346-E350 PolarHBondContact O-N 3.37Å
347R96Very high96.2Very high60 Ų6034 Ų3423%0.22618%0.178CC..Hα-helixtrans-63.3-27.317782.8-174.2-179.2159.24.5113E93 Y287 Y291 Y343 L344 R351E93-R347 IonicContact OE1-NH1 3.69Å; E93-R347 PolarHBondContact OE1-NH1 3.25Å; Y287-R347 PolarHBondContact OH-NH2 3.47Å; Y291-R347 HydrophobicContact CE1-CG 4.01Å; Y291-R347 PolarHBondContact OH-NE 2.97Å; Y291-R347 PolarHBondContact OH-NH2 2.65Å; Y343-R347 HydrophobicContact CD2-CB 4.45Å; Y343-R347 HydrophobicContact CE2-CB 4.08Å; Y343-R347 VanDerWaalsContact O-CB 3.32Å; Y343-R347 WeakPolarHBondContact O-CB 3.26Å; Y343-R347 WeakPolarHBondContact O-CG 3.4Å; Y343-R347 PolarHBondContact O-N 3.49Å; L344-R347 WeakPolarHBondContact O-CG 3.48Å; R347-R351 WeakPolarHBondContact O-CD 3.3Å; R347-R351 WeakPolarHBondContact O-CG 3.49Å
348L98Very high96.2Very high0 Ų038.6 Ų38.60%021%0.212CC..Hα-helixtrans-76.1-56.1175.1175.666.8000111.2P290 Y291 C294 Y311 L314 L344 H345 S346 R351P290-L348 HydrophobicContact CB-CD1 4.18Å; P290-L348 HydrophobicContact CB-CD2 3.6Å; Y291-L348 HydrophobicContact CD1-CB 4.47Å; Y291-L348 HydrophobicContact CD1-CD1 3.77Å; Y291-L348 HydrophobicContact CE1-CB 3.76Å; Y291-L348 HydrophobicContact CE1-CD1 3.92Å; Y291-L348 HydrophobicContact CE1-CG 4.39Å; Y291-L348 HydrophobicContact CG-CD1 4.38Å; C294-L348 HydrophobicContact CB-CD1 3.86Å; Y311-L348 HydrophobicContact CE1-CD1 4.24Å; Y311-L348 HydrophobicContact CE1-CD2 4.27Å; L314-L348 HydrophobicContact CD2-CD2 3.97Å; L344-L348 WeakPolarHBondContact O-CB 3.44Å; L344-L348 PolarHBondContact O-N 2.66Å; H345-L348 PolarHBondContact O-N 3.4Å; S346-L348 PolarHBondContact O-N 3.25Å; L348-R351 WeakPolarHBondContact O-CB 3.36Å; L348-R351 PolarHBondContact O-N 3.38Å
349L98Very high96.3Very high0 Ų043.7 Ų43.70%023%0.234CC..Hα-helixtrans-73-31.1-171.2-67.1174.4000112.4R207 Y311 L314 H345 S346 R351 A352 A366 P368 V385 I388 T389R207-L349 WeakPolarHBondContact CD-O 3.46Å; Y311-L349 HydrophobicContact CD2-CD2 4.16Å; Y311-L349 HydrophobicContact CE2-CD2 3.79Å; L314-L349 HydrophobicContact CD1-CD1 4.32Å; L314-L349 HydrophobicContact CD1-CD2 4.31Å; H345-L349 WeakPolarHBondContact O-CB 3.31Å; H345-L349 WeakPolarHBondContact O-CG 3.31Å; H345-L349 PolarHBondContact O-N 3.15Å; S346-L349 PolarHBondContact O-N 3.38Å; L349-R351 PolarHBondContact O-N 3.25Å; L349-R351 VanDerWaalsContact O-N 3.13Å; L349-A352 WeakPolarHBondContact O-CB 3.31Å; L349-A352 PolarHBondContact O-N 3.39Å; L349-A366 HydrophobicContact CD2-CB 4.44Å; L349-P368 HydrophobicContact CD1-CG 4.32Å; L349-P368 HydrophobicContact CD2-CB 4.07Å; L349-P368 HydrophobicContact CD2-CG 3.98Å; L349-V385 HydrophobicContact CD1-CG1 4.13Å; L349-I388 HydrophobicContact CB-CG2 3.8Å; L349-I388 HydrophobicContact CD1-CB 4.43Å; L349-I388 HydrophobicContact CD1-CG2 3.79Å; L349-I388 HydrophobicContact CG-CG2 4.4Å; L349-T389 HydrophobicContact CD1-CG2 4.09Å
350E97.4Very high96.4Very high63 Ų6342.8 Ų42.829%0.29423%0.225SC..THydrogen-bonded Turntrans-63.8-13.2174.4-80-66.8152.300114.1A176 R182 R207 S346 A352A176-E350 HydrophobicContact CB-CB 3.92Å; A176-E350 WeakPolarHBondContact CB-O 3.17Å; R182-E350 IonicContact CZ-OE2 3.08Å; R182-E350 IonicContact NH1-OE2 3.41Å; R182-E350 PolarHBondContact NH1-OE2 3.34Å; R182-E350 PolarHBondContact NH2-O 2.74Å; R182-E350 IonicContact NH2-OE2 3.97Å; R182-E350 PolarHBondContact NH2-OE2 3.39Å; R207-E350 IonicContact CZ-OE1 3.9Å; R207-E350 IonicContact NH1-OE1 2.98Å; R207-E350 PolarHBondContact NH1-OE1 3.11Å; R207-E350 IonicContact NH1-OE2 2.7Å; R207-E350 PolarHBondContact NH1-OE2 2.88Å; R207-E350 IonicContact NH2-OE1 3.94Å; S346-E350 WeakPolarHBondContact O-CB 3.27Å; S346-E350 WeakPolarHBondContact O-CG 3.49Å; S346-E350 PolarHBondContact O-N 3.37Å; E350-A352 VanDerWaalsContact C-N 3.29Å
351R97.8Very high96.5Very high2 Ų240.3 Ų40.31%0.00821%0.213CC..THydrogen-bonded Turntrans-74.6-21173.2-67.516967.2-176.63112.4V172 A176 C294 S295 E298 R301 R347 L348 L349 A353V172-R351 PolarHBondContact O-NH1 2.71Å; V172-R351 PolarHBondContact O-NH2 3.42Å; A176-R351 HydrophobicContact CB-CG 3.95Å; C294-R351 VanDerWaalsContact SG-CZ 3.58Å; C294-R351 PolarHBondContact SG-NE 3.09Å; S295-R351 PolarHBondContact OG-NH2 3.09Å; E298-R351 VanDerWaalsContact CD-NE 3.34Å; E298-R351 WeakPolarHBondContact OE1-CB 3.13Å; E298-R351 IonicContact OE1-CZ 2.69Å; E298-R351 IonicContact OE1-NE 3.6Å; E298-R351 PolarHBondContact OE1-NE 3.24Å; E298-R351 IonicContact OE1-NH2 3.66Å; E298-R351 IonicContact OE2-CZ 3.57Å; E298-R351 IonicContact OE2-NE 3.65Å; E298-R351 IonicContact OE2-NH2 2.74Å; E298-R351 PolarHBondContact OE2-NH2 3.49Å; R301-R351 PolarHBondContact NH1-O 2.83Å; R347-R351 WeakPolarHBondContact O-CD 3.3Å; R347-R351 WeakPolarHBondContact O-CG 3.49Å; L348-R351 WeakPolarHBondContact O-CB 3.36Å; L348-R351 PolarHBondContact O-N 3.38Å; L349-R351 PolarHBondContact O-N 3.25Å; L349-R351 VanDerWaalsContact O-N 3.13Å; R351-A353 PolarHBondContact O-N 2.96Å
352A97.8Very high96.6Very high1 Ų140.3 Ų40.31%0.00821%0.213CC..  trans-77.9114.5172.700000109.9R207 L349 E350 L364 A366R207-A352 HydrophobicContact CG-CB 3.87Å; L349-A352 WeakPolarHBondContact O-CB 3.31Å; L349-A352 PolarHBondContact O-N 3.39Å; E350-A352 VanDerWaalsContact C-N 3.29Å; A352-L364 CarbonylContact C-O 3.54Å; A352-L364 VanDerWaalsContact CA-O 3.3Å; A352-L364 WeakPolarHBondContact CA-O 3.33Å; A352-L364 HydrophobicContact CB-CD2 4.48Å; A352-L364 HydrophobicContact CB-CG 4.23Å; A352-L364 VanDerWaalsContact CB-O 3.26Å; A352-L364 WeakPolarHBondContact CB-O 3.43Å; A352-A366 HydrophobicContact CB-CB 3.61Å
353A97.4Very high96.6Very high4 Ų436.2 Ų36.23%0.03320%0.195CC..  trans-155.8162.3-178.100000111.8P177 R182 R351 S363 L364P177-A353 HydrophobicContact CG-CB 3.98Å; R182-A353 HydrophobicContact CG-CB 4.04Å; R351-A353 PolarHBondContact O-N 2.96Å; A353-S363 WeakPolarHBondContact O-CA 3.38Å; A353-L364 PolarHBondContact N-O 2.82Å; A353-L364 PolarHBondContact O-N 2.73Å
354K97.9Very high96.8Very high15 Ų1529.5 Ų29.57%0.06517%0.169CC..BIsolated β-bridgetrans-93.5120.9164.9-175.968.5159.389.80109.2R182 I183 V185 E187 G361R182-K354 VanDerWaalsContact CA-O 3.32Å; R182-K354 WeakPolarHBondContact CA-O 3.48Å; I183-K354 HydrophobicContact CG2-CB 4.2Å; I183-K354 HydrophobicContact CG2-CG 3.49Å; I183-K354 VanDerWaalsContact CG2-CG 3.49Å; I183-K354 PolarHBondContact N-O 3.47Å; V185-K354 HydrophobicContact CG2-CB 4.34Å; E187-K354 VanDerWaalsContact CD-CE 3.41Å; E187-K354 WeakPolarHBondContact OE1-CE 3.2Å; E187-K354 IonicContact OE1-NZ 2.84Å; E187-K354 PolarHBondContact OE1-NZ 2.88Å; E187-K354 VanDerWaalsContact OE1-NZ 3.08Å; E187-K354 WeakPolarHBondContact OE2-CE 3.39Å; E187-K354 IonicContact OE2-NZ 3.37Å; K354-G361 PolarHBondContact NZ-O 3.26Å
355M97.8Very high96.9Very high10 Ų1029.4 Ų29.45%0.04917%0.168CC..BIsolated β-bridgetrans-81151176.9-54.7-55.8-69.500110.3P177 P181 I183 R301 F359 G361 G362P177-M355 HydrophobicContact CB-CE 4.12Å; P177-M355 HydrophobicContact CB-SD 4.06Å; P177-M355 HydrophobicContact CG-SD 4.17Å; P181-M355 HydrophobicContact CB-CE 3.55Å; P181-M355 WeakPolarHBondContact O-CA 3.36Å; I183-M355 WeakPolarHBondContact CG2-O 3.23Å; R301-M355 HydrophobicContact CG-CG 3.78Å; M355-F359 HydrophobicContact CB-CB 4.29Å; M355-F359 HydrophobicContact CE-CB 3.8Å; M355-F359 HydrophobicContact CE-CG 4.23Å; M355-G361 WeakPolarHBondContact O-CA 3.27Å; M355-G362 WeakPolarHBondContact CB-O 3.48Å; M355-G362 PolarHBondContact N-O 2.91Å
356N96.5Very high97Very high28 Ų2829.4 Ų29.415%0.1517%0.168CC..PPolyproline II helixtrans-76.7170.4171.975.735.4000111.2I180 P181 I183 S358 F359 G360 G361I180-N356 PolarHBondContact O-ND2 3.4Å; P181-N356 PolarHBondContact O-N 2.9Å; P181-N356 PolarHBondContact O-ND2 2.9Å; I183-N356 HydrophobicContact CB-CB 4.16Å; N356-S358 VanDerWaalsContact C-N 3.28Å; N356-S358 PolarHBondContact O-N 3.05Å; N356-S358 WeakPolarHBondContact OD1-CA 3.44Å; N356-S358 WeakPolarHBondContact OD1-CB 3.32Å; N356-S358 PolarHBondContact OD1-N 3.46Å; N356-F359 CarbonylContact O-C 3.57Å; N356-F359 PolarHBondContact O-N 3.25Å; N356-F359 VanDerWaalsContact O-N 3.09Å; N356-F359 VanDerWaalsContact OD1-CD2 3.32Å; N356-F359 WeakPolarHBondContact OD1-CD2 3.4Å; N356-F359 PolarHBondContact OD1-N 3.16Å; N356-F359 VanDerWaalsContact OD1-N 3.1Å; N356-G360 PolarHBondContact O-N 3.21Å; N356-G361 WeakPolarHBondContact O-CA 3.34Å; N356-G361 PolarHBondContact O-N 3.08Å
357D94.9Very high97.1Very high135 Ų13528.4 Ų28.472%0.72216%0.162SC*.G310 helixtrans-64.4-30.5-174.9-59.8-30.4000113.3F359 G360D357-F359 PolarHBondContact O-N 3.03Å; D357-G360 PolarHBondContact O-N 2.79Å
358S95.5Very high97.2Very high115 Ų11525.6 Ų25.680%0.80415%0.151SC*.G310 helixtrans-69-23176.4-49.30000113N356N356-S358 VanDerWaalsContact C-N 3.28Å; N356-S358 PolarHBondContact O-N 3.05Å; N356-S358 WeakPolarHBondContact OD1-CA 3.44Å; N356-S358 WeakPolarHBondContact OD1-CB 3.32Å; N356-S358 PolarHBondContact OD1-N 3.46Å
359F94.8Very high97.2Very high110 Ų11025.6 Ų25.648%0.48215%0.151SC..G310 helixtrans-105.927.1173.7-68.6-89.3000111.8P181 M355 N356 D357 G361P181-F359 HydrophobicContact CB-CD1 4.38Å; P181-F359 HydrophobicContact CB-CD2 3.73Å; P181-F359 HydrophobicContact CB-CE1 4.45Å; P181-F359 HydrophobicContact CB-CE2 3.84Å; P181-F359 HydrophobicContact CB-CG 4.04Å; P181-F359 HydrophobicContact CB-CZ 4.2Å; P181-F359 HydrophobicContact CG-CD2 4.43Å; P181-F359 HydrophobicContact CG-CE1 4.46Å; P181-F359 HydrophobicContact CG-CE2 4.03Å; P181-F359 HydrophobicContact CG-CZ 4.05Å; M355-F359 HydrophobicContact CB-CB 4.29Å; M355-F359 HydrophobicContact CE-CB 3.8Å; M355-F359 HydrophobicContact CE-CG 4.23Å; N356-F359 CarbonylContact O-C 3.57Å; N356-F359 PolarHBondContact O-N 3.25Å; N356-F359 VanDerWaalsContact O-N 3.09Å; N356-F359 VanDerWaalsContact OD1-CD2 3.32Å; N356-F359 WeakPolarHBondContact OD1-CD2 3.4Å; N356-F359 PolarHBondContact OD1-N 3.16Å; N356-F359 VanDerWaalsContact OD1-N 3.1Å; D357-F359 PolarHBondContact O-N 3.03Å; F359-G361 PolarHBondContact O-N 3.25Å
360G93.8Very high97.2Very high45 Ų4525.6 Ų25.646%0.46415%0.151SC..THydrogen-bonded Turntrans87.4-7.1172.300000115.7G304 N356 D357 G362G304-G360 WeakPolarHBondContact CA-O 3.26Å; N356-G360 PolarHBondContact O-N 3.21Å; D357-G360 PolarHBondContact O-N 2.79Å; G360-G362 PolarHBondContact O-N 2.77Å; G360-G362 VanDerWaalsContact O-N 3.16Å
361G95.1Very high97.1Very high8 Ų825 Ų258%0.08215%0.148CC..SBendtrans71.45.2172.500000116K354 M355 N356 F359K354-G361 PolarHBondContact NZ-O 3.26Å; M355-G361 WeakPolarHBondContact O-CA 3.27Å; N356-G361 WeakPolarHBondContact O-CA 3.34Å; N356-G361 PolarHBondContact O-N 3.08Å; F359-G361 PolarHBondContact O-N 3.25Å
362G97.3Very high97Very high0 Ų025 Ų250%015%0.149CC..  trans-70.8171.4-179.600000113.3R301 K305 M355 G360R301-G362 VanDerWaalsContact O-CA 3.31Å; R301-G362 WeakPolarHBondContact O-CA 2.87Å; K305-G362 CarbonylContact O-C 3.58Å; K305-G362 WeakPolarHBondContact O-CA 3.34Å; M355-G362 WeakPolarHBondContact CB-O 3.48Å; M355-G362 PolarHBondContact N-O 2.91Å; G360-G362 PolarHBondContact O-N 2.77Å; G360-G362 VanDerWaalsContact O-N 3.16Å
363S98.3Very high96.5Very high0 Ų031.5 Ų31.50%018%0.179CC..EExtended strand (participates in β ladder)trans-144.2145.8-17971.40000112.9K305 H306 A307 A353K305-S363 PolarHBondContact O-N 3.48Å; H306-S363 CarbonylContact C-O 3.5Å; H306-S363 WeakPolarHBondContact CA-O 3.32Å; H306-S363 WeakPolarHBondContact CB-OG 3.49Å; H306-S363 PolarHBondContact ND1-OG 2.96Å; A307-S363 PolarHBondContact N-O 2.92Å; A353-S363 WeakPolarHBondContact O-CA 3.38Å
364L98.6Very high96.1Very high0 Ų036 Ų360%022%0.216CC..EExtended strand (participates in β ladder)trans-118.8112.2164.3179.863.1000109G205 E298 R301 A307 I309 A352 A353G205-L364 WeakPolarHBondContact CA-O 3.16Å; E298-L364 HydrophobicContact CG-CD2 4.15Å; R301-L364 HydrophobicContact CB-CB 4.2Å; R301-L364 HydrophobicContact CG-CB 4.37Å; A307-L364 HydrophobicContact CB-CD1 3.8Å; I309-L364 HydrophobicContact CB-CD1 4.04Å; I309-L364 HydrophobicContact CG2-CD1 3.74Å; I309-L364 HydrophobicContact CG2-CD2 4.4Å; I309-L364 HydrophobicContact CG2-CG 4.06Å; A352-L364 CarbonylContact C-O 3.54Å; A352-L364 VanDerWaalsContact CA-O 3.3Å; A352-L364 WeakPolarHBondContact CA-O 3.33Å; A352-L364 HydrophobicContact CB-CD2 4.48Å; A352-L364 HydrophobicContact CB-CG 4.23Å; A352-L364 VanDerWaalsContact CB-O 3.26Å; A352-L364 WeakPolarHBondContact CB-O 3.43Å; A353-L364 PolarHBondContact N-O 2.82Å; A353-L364 PolarHBondContact O-N 2.73Å
365T98.8Very high95.5Very high0 Ų036.9 Ų36.90%023%0.229CC..EExtended strand (participates in β ladder)trans-94134.2176.4-45.90000108.7M189 I202 G203 R204 G205 Q206 A307 L308 I309M189-T365 HydrophobicContact CE-CG2 4.25Å; M189-T365 HydrophobicContact CG-CG2 4.36Å; I202-T365 HydrophobicContact CG2-CG2 3.99Å; G203-T365 WeakPolarHBondContact O-CG2 3.41Å; R204-T365 WeakPolarHBondContact CA-OG1 3.49Å; G205-T365 PolarHBondContact N-OG1 2.98Å; Q206-T365 WeakPolarHBondContact O-CA 3.23Å; Q206-T365 VanDerWaalsContact O-CG2 3.31Å; Q206-T365 WeakPolarHBondContact O-CG2 3.47Å; A307-T365 PolarHBondContact O-N 3.08Å; L308-T365 CarbonylContact C-O 3.54Å; L308-T365 WeakPolarHBondContact CA-O 3.07Å; L308-T365 HydrophobicContact CD1-CG2 4.21Å; I309-T365 WeakPolarHBondContact CG2-O 3.48Å; I309-T365 PolarHBondContact N-O 3.27Å
366A98.6Very high95.1Very high0 Ų039.7 Ų39.70%024%0.244CC..EExtended strand (participates in β ladder)trans-118.3130.3-176.700000112.6Q206 R207 E208 I309 Y311 L349 A352 P368Q206-A366 PolarHBondContact O-N 3.38Å; R207-A366 CarbonylContact C-O 3.59Å; R207-A366 WeakPolarHBondContact CA-O 3.46Å; R207-A366 HydrophobicContact CG-CB 4.12Å; E208-A366 PolarHBondContact N-O 3.18Å; I309-A366 HydrophobicContact CG2-CB 3.88Å; I309-A366 CarbonylContact O-C 3.5Å; I309-A366 WeakPolarHBondContact O-CA 3.43Å; Y311-A366 HydrophobicContact CE2-CB 4.12Å; L349-A366 HydrophobicContact CD2-CB 4.44Å; A352-A366 HydrophobicContact CB-CB 3.61Å; A366-P368 VanDerWaalsContact C-CD 3.48Å; A366-P368 WeakPolarHBondContact O-CD 3.41Å
367L98.8Very high94.7Very high1 Ų141.2 Ų41.21%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-115.380.3171.3-55.5-178.9000109.7M189 I202 E208 I210 T225 L308 I309 I310 Y311M189-L367 HydrophobicContact CE-CD1 4.34Å; M189-L367 HydrophobicContact CE-CD2 4.46Å; I202-L367 HydrophobicContact CD1-CD2 3.76Å; I202-L367 HydrophobicContact CG2-CD2 4.37Å; E208-L367 HydrophobicContact CB-CD2 3.81Å; E208-L367 WeakPolarHBondContact O-CA 3.28Å; I210-L367 HydrophobicContact CD1-CB 4.28Å; T225-L367 HydrophobicContact CG2-CD1 4.18Å; L308-L367 HydrophobicContact CD1-CD1 3.82Å; L308-L367 HydrophobicContact CD1-CG 3.79Å; I309-L367 PolarHBondContact O-N 3.41Å; I310-L367 WeakPolarHBondContact CA-O 3.37Å; I310-L367 HydrophobicContact CD1-CD1 4.33Å; I310-L367 HydrophobicContact CG1-CB 4.27Å; I310-L367 HydrophobicContact CG1-CD1 4.4Å; Y311-L367 PolarHBondContact N-O 2.86Å
368P98.6Very high94.4Very high0 Ų038.3 Ų38.30%024%0.244CC..EExtended strand (participates in β ladder)trans-67.3136.8171.926.4-31.2000110.5E208 L209 I210 Y311 L314 L349 A366 T389E208-P368 WeakPolarHBondContact O-CD 3.44Å; L209-P368 HydrophobicContact CB-CG 4.5Å; L209-P368 HydrophobicContact CD1-CB 4.37Å; L209-P368 HydrophobicContact CD1-CG 4.19Å; L209-P368 WeakPolarHBondContact CD1-O 3.41Å; I210-P368 PolarHBondContact N-O 2.83Å; Y311-P368 HydrophobicContact CD2-CB 4.17Å; L314-P368 HydrophobicContact CD1-CB 3.5Å; L314-P368 VanDerWaalsContact CD1-CB 3.5Å; L314-P368 HydrophobicContact CG-CB 4.19Å; L349-P368 HydrophobicContact CD1-CG 4.32Å; L349-P368 HydrophobicContact CD2-CB 4.07Å; L349-P368 HydrophobicContact CD2-CG 3.98Å; A366-P368 VanDerWaalsContact C-CD 3.48Å; A366-P368 WeakPolarHBondContact O-CD 3.41Å; P368-T389 HydrophobicContact CG-CG2 3.72Å
369V98.6Very high94.3Very high0 Ų033.8 Ų33.80%021%0.214CC..EExtended strand (participates in β ladder)trans-100.7135.4171.1-174.80000108.6I210 K218 I310 Y311 D312 D313 L314I210-V369 HydrophobicContact CB-CG2 4.38Å; I210-V369 CarbonylContact O-C 3.55Å; I210-V369 VanDerWaalsContact O-CA 3.29Å; I210-V369 WeakPolarHBondContact O-CA 3.36Å; K218-V369 HydrophobicContact CB-CG1 3.92Å; K218-V369 HydrophobicContact CD-CG1 3.74Å; K218-V369 HydrophobicContact CG-CG1 4.41Å; I310-V369 HydrophobicContact CG2-CG2 4.36Å; Y311-V369 WeakPolarHBondContact O-CA 3.24Å; Y311-V369 WeakPolarHBondContact O-CB 3.12Å; Y311-V369 WeakPolarHBondContact O-CG2 3.27Å; Y311-V369 PolarHBondContact O-N 3.44Å; D312-V369 HydrophobicContact CB-CG2 4.32Å; D313-V369 HydrophobicContact CB-CB 3.98Å; D313-V369 HydrophobicContact CB-CG1 4.05Å; D313-V369 WeakPolarHBondContact CB-O 3.43Å; L314-V369 PolarHBondContact N-O 2.77Å
370I97.8Very high94.2Very high0 Ų030.6 Ų30.60%020%0.199CC..EExtended strand (participates in β ladder)trans-126.5131.7170.7-72.2-65.3000109.3L209 I210 I211 G212 L314 S315 I381 P382 V385L209-I370 HydrophobicContact CD1-CB 3.91Å; L209-I370 HydrophobicContact CD1-CG1 3.62Å; I210-I370 PolarHBondContact O-N 3.11Å; I211-I370 WeakPolarHBondContact CA-O 3.12Å; I211-I370 HydrophobicContact CD1-CG2 4.12Å; I211-I370 HydrophobicContact CG1-CB 4.4Å; I211-I370 HydrophobicContact CG1-CG2 4.17Å; G212-I370 PolarHBondContact N-O 3.34Å; L314-I370 HydrophobicContact CB-CD1 3.69Å; S315-I370 WeakPolarHBondContact OG-CD1 3.5Å; I370-I381 HydrophobicContact CD1-CG2 3.98Å; I370-P382 HydrophobicContact CG2-CB 4.35Å; I370-P382 HydrophobicContact CG2-CG 3.92Å; I370-V385 HydrophobicContact CD1-CG2 4.06Å; I370-V385 HydrophobicContact CG1-CB 4.22Å; I370-V385 HydrophobicContact CG1-CG1 4.18Å; I370-V385 HydrophobicContact CG1-CG2 4.2Å
371E95.6Very high94.2Very high50 Ų5028.7 Ų28.723%0.23418%0.179CC..EExtended strand (participates in β ladder)trans-91.1123.8168.7-176.5169.710900109.9S315S315-E371 PolarHBondContact OG-N 3.46Å; S315-E371 VanDerWaalsContact OG-N 3.09Å; S315-E371 PolarHBondContact OG-O 3.49Å
372T94.3Very high94.3Very high4 Ų428.7 Ų28.73%0.02518%0.177CC..  trans-87.4158.3168.348.40000110.7I211 G212 D213 P382I211-T372 HydrophobicContact CD1-CG2 3.67Å; I211-T372 HydrophobicContact CG1-CG2 3.6Å; G212-T372 PolarHBondContact O-N 2.76Å; G212-T372 PolarHBondContact O-OG1 3Å; D213-T372 PolarHBondContact N-OG1 2.89Å; D213-T372 VanDerWaalsContact N-OG1 3.15Å; D213-T372 WeakPolarHBondContact OD1-CB 3.33Å; D213-T372 PolarHBondContact OD1-OG1 2.91Å; T372-P382 HydrophobicContact CG2-CG 4.22Å
373Q88.9Confident94.2Very high137 Ų13731.8 Ų31.864%0.6420%0.196SC*.SBendtrans-105116.4171.1-61.9-61.2-42.800107.9G375 D376Q373-G375 VanDerWaalsContact C-N 3.25Å; Q373-G375 PolarHBondContact O-N 2.82Å; Q373-D376 WeakPolarHBondContact O-CB 3.39Å; Q373-D376 PolarHBondContact O-N 2.89Å
374A88.2Confident94Very high99 Ų9932.6 Ų32.682%0.81820%0.2SC*.THydrogen-bonded Turntrans51.839.9178.900000114.4D213 D376D213-A374 PolarHBondContact OD1-N 3.02Å; A374-D376 PolarHBondContact O-N 3.28Å
375G85.3Confident93.9Very high32 Ų3232.6 Ų32.633%0.3320%0.2SC..THydrogen-bonded Turntrans745.5178.400000114.9D213 Q373 V377D213-G375 VanDerWaalsContact CG-N 3.27Å; D213-G375 WeakPolarHBondContact OD1-CA 3.49Å; D213-G375 PolarHBondContact OD1-N 2.98Å; D213-G375 PolarHBondContact OD2-N 2.84Å; D213-G375 VanDerWaalsContact OD2-N 3.07Å; Q373-G375 VanDerWaalsContact C-N 3.25Å; Q373-G375 PolarHBondContact O-N 2.82Å; G375-V377 PolarHBondContact O-N 2.8Å
376D88.8Confident93.8Very high70 Ų7034.8 Ų34.837%0.37421%0.211SC..  trans-74.1101.1-177.1-175.213000112.2Q373 A374 S378 A379Q373-D376 WeakPolarHBondContact O-CB 3.39Å; Q373-D376 PolarHBondContact O-N 2.89Å; A374-D376 PolarHBondContact O-N 3.28Å; D376-S378 VanDerWaalsContact C-N 3.34Å; D376-S378 WeakPolarHBondContact OD1-CA 3.36Å; D376-S378 VanDerWaalsContact OD1-CB 3.32Å; D376-S378 WeakPolarHBondContact OD1-CB 3.47Å; D376-S378 PolarHBondContact OD1-N 3.21Å; D376-S378 PolarHBondContact OD1-OG 2.95Å; D376-A379 PolarHBondContact OD1-N 2.82Å
377V87.8Confident93.7Very high60 Ų6038.2 Ų38.236%0.36424%0.236SC..SBendtrans-81-13.4173.4-66.10000113.7I211 G375 A379 T383 F394I211-V377 HydrophobicContact CD1-CG1 4.39Å; G375-V377 PolarHBondContact O-N 2.8Å; V377-A379 VanDerWaalsContact C-N 3.32Å; V377-T383 PolarHBondContact O-OG1 3.34Å; V377-F394 HydrophobicContact CG1-CD2 4.04Å; V377-F394 HydrophobicContact CG1-CE2 3.17Å; V377-F394 HydrophobicContact CG1-CZ 3.72Å
378S89.6Confident93.7Very high73 Ų7338.7 Ų38.751%0.5124%0.238SC..SBendtrans-86.5-6.8-178.277.90000113.3R334 D376 T383R334-S378 PolarHBondContact NH2-O 3.42Å; D376-S378 VanDerWaalsContact C-N 3.34Å; D376-S378 WeakPolarHBondContact OD1-CA 3.36Å; D376-S378 VanDerWaalsContact OD1-CB 3.32Å; D376-S378 WeakPolarHBondContact OD1-CB 3.47Å; D376-S378 PolarHBondContact OD1-N 3.21Å; D376-S378 PolarHBondContact OD1-OG 2.95Å; S378-T383 PolarHBondContact O-OG1 3.3Å
379A92.5Very high93.6Very high21 Ų2138.7 Ų38.717%0.17424%0.238CC..SBendtrans-56.7153.2170.600000111.4D376 V377 I381 P382 T383D376-A379 PolarHBondContact OD1-N 2.82Å; V377-A379 VanDerWaalsContact C-N 3.32Å; A379-I381 PolarHBondContact O-N 2.86Å; A379-P382 HydrophobicContact CB-CG 4.05Å; A379-P382 WeakPolarHBondContact O-CD 3.21Å; A379-T383 WeakPolarHBondContact O-CB 3.03Å; A379-T383 PolarHBondContact O-N 3.4Å; A379-T383 VanDerWaalsContact O-N 3.11Å; A379-T383 PolarHBondContact O-OG1 3.17Å
380Y92.4Very high93.6Very high43 Ų4340.2 Ų40.217%0.16925%0.246CC..Hα-helixtrans-61.7-45.7-167.1-176.2-140.6000113.7R334 E335 Y337 V341 N384R334-Y380 HydrophobicContact CB-CD1 4.29Å; R334-Y380 HydrophobicContact CB-CE1 4.39Å; R334-Y380 HydrophobicContact CB-CG 4.48Å; R334-Y380 HydrophobicContact CG-CG 4.33Å; E335-Y380 VanDerWaalsContact OE1-CB 3.31Å; E335-Y380 WeakPolarHBondContact OE1-CB 3.28Å; E335-Y380 PolarHBondContact OE1-N 3.29Å; Y337-Y380 AromaticContact CD2-CD1 3.82Å; Y337-Y380 HydrophobicContact CD2-CD1 3.82Å; Y337-Y380 HydrophobicContact CD2-CE1 4.47Å; Y337-Y380 HydrophobicContact CG-CD1 4.27Å; V341-Y380 HydrophobicContact CG1-CD1 4.33Å; V341-Y380 HydrophobicContact CG1-CE1 3.45Å; V341-Y380 VanDerWaalsContact CG1-CE1 3.45Å; Y380-N384 WeakPolarHBondContact CE2-ND2 3.48Å; Y380-N384 PolarHBondContact O-N 3.36Å; Y380-N384 VanDerWaalsContact O-N 3.15Å; Y380-N384 PolarHBondContact O-ND2 2.69Å
381I95.3Very high93.5Very high5 Ų540.2 Ų40.23%0.02625%0.246CC..Hα-helixtrans-70.5-49.1-178.4-58.1-57.2000112.7A318 Y337 V341 I370 A379 T383 N384 V385A318-I381 HydrophobicContact CB-CD1 3.83Å; A318-I381 HydrophobicContact CB-CG1 4.02Å; A318-I381 HydrophobicContact CB-CG2 4.3Å; Y337-I381 HydrophobicContact CD1-CD1 4.04Å; Y337-I381 HydrophobicContact CD2-CD1 4.21Å; Y337-I381 HydrophobicContact CD2-CG1 4.37Å; Y337-I381 HydrophobicContact CE1-CD1 3.94Å; Y337-I381 HydrophobicContact CE1-CG1 4.01Å; Y337-I381 HydrophobicContact CE2-CD1 4.08Å; Y337-I381 HydrophobicContact CE2-CG1 3.76Å; Y337-I381 HydrophobicContact CG-CD1 4.19Å; V341-I381 HydrophobicContact CG1-CD1 4.27Å; V341-I381 HydrophobicContact CG2-CD1 3.71Å; I370-I381 HydrophobicContact CD1-CG2 3.98Å; A379-I381 PolarHBondContact O-N 2.86Å; I381-T383 VanDerWaalsContact C-N 3.32Å; I381-T383 PolarHBondContact O-N 3.36Å; I381-N384 PolarHBondContact O-N 3.06Å; I381-V385 HydrophobicContact CG2-CG2 4.37Å; I381-V385 WeakPolarHBondContact O-CG2 3.38Å; I381-V385 PolarHBondContact O-N 2.98Å
382P95.8Very high93.6Very high8 Ų839.3 Ų39.35%0.05224%0.242CC..Hα-helixtrans-50.9-49.2172.4-3238.1000113.5I211 I370 T372 A379 N384 V385 I386I211-P382 HydrophobicContact CD1-CB 3.87Å; I370-P382 HydrophobicContact CG2-CB 4.35Å; I370-P382 HydrophobicContact CG2-CG 3.92Å; T372-P382 HydrophobicContact CG2-CG 4.22Å; A379-P382 HydrophobicContact CB-CG 4.05Å; A379-P382 WeakPolarHBondContact O-CD 3.21Å; P382-N384 VanDerWaalsContact C-N 3.34Å; P382-N384 PolarHBondContact O-N 2.85Å; P382-V385 PolarHBondContact O-N 2.82Å; P382-I386 WeakPolarHBondContact O-CB 3.18Å; P382-I386 WeakPolarHBondContact O-CD1 3.33Å; P382-I386 VanDerWaalsContact O-CG1 3.23Å; P382-I386 WeakPolarHBondContact O-CG1 3.33Å; P382-I386 PolarHBondContact O-N 3.15Å
383T95.3Very high93.8Very high64 Ų6439.1 Ų39.139%0.39324%0.241SC..Hα-helixtrans-58.4-45.7-179.7-57.10000111.6V377 S378 A379 I381 S387V377-T383 PolarHBondContact O-OG1 3.34Å; S378-T383 PolarHBondContact O-OG1 3.3Å; A379-T383 WeakPolarHBondContact O-CB 3.03Å; A379-T383 PolarHBondContact O-N 3.4Å; A379-T383 VanDerWaalsContact O-N 3.11Å; A379-T383 PolarHBondContact O-OG1 3.17Å; I381-T383 VanDerWaalsContact C-N 3.32Å; I381-T383 PolarHBondContact O-N 3.36Å; T383-S387 PolarHBondContact O-N 3.13Å
384N95Very high94.1Very high17 Ų1733.3 Ų33.39%0.09121%0.214CC..Hα-helixtrans-59.9-49.9177.6-73.2-13.2000111.5F342 Y380 I381 P382 I386 S387 I388F342-N384 HydrophobicContact CD2-CB 3.97Å; Y380-N384 WeakPolarHBondContact CE2-ND2 3.48Å; Y380-N384 PolarHBondContact O-N 3.36Å; Y380-N384 VanDerWaalsContact O-N 3.15Å; Y380-N384 PolarHBondContact O-ND2 2.69Å; I381-N384 PolarHBondContact O-N 3.06Å; P382-N384 VanDerWaalsContact C-N 3.34Å; P382-N384 PolarHBondContact O-N 2.85Å; N384-I386 PolarHBondContact O-N 3.03Å; N384-S387 PolarHBondContact O-N 3.49Å; N384-S387 PolarHBondContact O-OG 3.42Å; N384-I388 WeakPolarHBondContact O-CD1 3.29Å; N384-I388 VanDerWaalsContact O-CG1 3.29Å; N384-I388 WeakPolarHBondContact O-CG1 3.48Å; N384-I388 PolarHBondContact O-N 3.2Å
385V96.7Very high94.5Very high0 Ų028.7 Ų28.70%018%0.175CC..Hα-helixtrans-68.6-37.7-175.8-1780000111.6L209 L349 I370 I381 P382 S387 I388 T389L209-V385 HydrophobicContact CD1-CG1 3.73Å; L209-V385 HydrophobicContact CD2-CB 4.49Å; L209-V385 HydrophobicContact CD2-CG1 4.11Å; L209-V385 HydrophobicContact CG-CG1 4.42Å; L349-V385 HydrophobicContact CD1-CG1 4.13Å; I370-V385 HydrophobicContact CD1-CG2 4.06Å; I370-V385 HydrophobicContact CG1-CB 4.22Å; I370-V385 HydrophobicContact CG1-CG1 4.18Å; I370-V385 HydrophobicContact CG1-CG2 4.2Å; I381-V385 HydrophobicContact CG2-CG2 4.37Å; I381-V385 WeakPolarHBondContact O-CG2 3.38Å; I381-V385 PolarHBondContact O-N 2.98Å; P382-V385 PolarHBondContact O-N 2.82Å; V385-S387 VanDerWaalsContact C-N 3.25Å; V385-S387 PolarHBondContact O-N 3.39Å; V385-I388 PolarHBondContact O-N 3.09Å; V385-T389 HydrophobicContact CG1-CG2 3.98Å; V385-T389 PolarHBondContact O-N 3.31Å; V385-T389 PolarHBondContact O-OG1 2.67Å
386I96.8Very high94.9Very high46 Ų4629.4 Ų29.424%0.23617%0.17CC..Hα-helixtrans-56.2-42.4173.1-70.1164.6000110.7L209 I211 P382 N384 I388 R416L209-I386 HydrophobicContact CD2-CG1 3.59Å; I211-I386 HydrophobicContact CD1-CD1 4.23Å; P382-I386 WeakPolarHBondContact O-CB 3.18Å; P382-I386 WeakPolarHBondContact O-CD1 3.33Å; P382-I386 VanDerWaalsContact O-CG1 3.23Å; P382-I386 WeakPolarHBondContact O-CG1 3.33Å; P382-I386 PolarHBondContact O-N 3.15Å; N384-I386 PolarHBondContact O-N 3.03Å; I386-I388 VanDerWaalsContact C-N 3.27Å; I386-I388 PolarHBondContact O-N 2.91Å; I386-R416 PolarHBondContact O-NH2 3.39Å
387S96.6Very high95.1Very high73 Ų7327.7 Ų27.751%0.5116%0.162SC..Hα-helixtrans-70.3-20.3178.774.40000114.3F342 T383 N384 V385F342-S387 WeakPolarHBondContact CE2-OG 3.32Å; T383-S387 PolarHBondContact O-N 3.13Å; N384-S387 PolarHBondContact O-N 3.49Å; N384-S387 PolarHBondContact O-OG 3.42Å; V385-S387 VanDerWaalsContact C-N 3.25Å; V385-S387 PolarHBondContact O-N 3.39Å
388I97.3Very high95.3Very high11 Ų1131.1 Ų31.16%0.05617%0.174CC..Hα-helixtrans-92.9-39.6-177.4-65.5161.2000112F342 H345 L349 N384 V385 I386F342-I388 HydrophobicContact CD2-CD1 4.03Å; F342-I388 HydrophobicContact CD2-CG1 4.43Å; F342-I388 HydrophobicContact CE2-CD1 3.74Å; F342-I388 HydrophobicContact CE2-CG1 3.64Å; F342-I388 HydrophobicContact CZ-CD1 4.09Å; F342-I388 HydrophobicContact CZ-CG1 3.73Å; H345-I388 HydrophobicContact CB-CD1 3.89Å; L349-I388 HydrophobicContact CB-CG2 3.8Å; L349-I388 HydrophobicContact CD1-CB 4.43Å; L349-I388 HydrophobicContact CD1-CG2 3.79Å; L349-I388 HydrophobicContact CG-CG2 4.4Å; N384-I388 WeakPolarHBondContact O-CD1 3.29Å; N384-I388 VanDerWaalsContact O-CG1 3.29Å; N384-I388 WeakPolarHBondContact O-CG1 3.48Å; N384-I388 PolarHBondContact O-N 3.2Å; V385-I388 PolarHBondContact O-N 3.09Å; I386-I388 VanDerWaalsContact C-N 3.27Å; I386-I388 PolarHBondContact O-N 2.91Å
389T97.8Very high95.4Very high0 Ų028.3 Ų28.30%015%0.153CC..SBendtrans-69.5176.4-179.557.10000111.2R207 L209 L349 P368 V385 G391 R416R207-T389 HydrophobicContact CB-CG2 4.29Å; R207-T389 WeakPolarHBondContact O-CB 3.43Å; L209-T389 HydrophobicContact CB-CG2 3.96Å; L349-T389 HydrophobicContact CD1-CG2 4.09Å; P368-T389 HydrophobicContact CG-CG2 3.72Å; V385-T389 HydrophobicContact CG1-CG2 3.98Å; V385-T389 PolarHBondContact O-N 3.31Å; V385-T389 PolarHBondContact O-OG1 2.67Å; T389-G391 WeakPolarHBondContact CB-O 3.22Å; T389-G391 PolarHBondContact OG1-O 3.28Å; T389-R416 PolarHBondContact O-NH1 3.39Å; T389-R416 PolarHBondContact O-NH2 2.99Å
390D97.3Very high95.4Very high31 Ų3129.2 Ų29.217%0.16615%0.153CC..SBendtrans-96.6-4.8174.4-56.3-59.1000112.1Q206 R207 R416Q206-D390 HydrophobicContact CG-CB 3.85Å; R207-D390 IonicContact CZ-OD1 3.57Å; R207-D390 IonicContact CZ-OD2 3.57Å; R207-D390 PolarHBondContact N-OD2 3.48Å; R207-D390 IonicContact NE-OD1 2.84Å; R207-D390 IonicContact NE-OD2 3.31Å; R207-D390 PolarHBondContact NE-OD2 2.72Å; R207-D390 IonicContact NH2-OD1 3.5Å; R207-D390 PolarHBondContact NH2-OD1 3.21Å; R207-D390 IonicContact NH2-OD2 3.66Å; R207-D390 PolarHBondContact NH2-OD2 3.04Å; R207-D390 WeakPolarHBondContact O-CB 3.34Å; R207-D390 PolarHBondContact O-N 2.8Å; D390-R416 VanDerWaalsContact C-CZ 3.43Å; D390-R416 VanDerWaalsContact C-NE 3.32Å; D390-R416 WeakPolarHBondContact O-CB 3.41Å; D390-R416 WeakPolarHBondContact O-CD 3.33Å; D390-R416 WeakPolarHBondContact O-CG 3.4Å; D390-R416 PolarHBondContact O-N 3.34Å; D390-R416 PolarHBondContact O-NE 3.33Å
391G96.8Very high95.4Very high0 Ų035.7 Ų35.70%018%0.179CC..EExtended strand (participates in β ladder)trans179.6178.5-176.500000111.8R207 E208 L209 T389 V414R207-G391 PolarHBondContact O-N 3.12Å; E208-G391 VanDerWaalsContact OE1-C 3.28Å; E208-G391 WeakPolarHBondContact OE2-CA 3.5Å; L209-G391 WeakPolarHBondContact CB-O 3.45Å; L209-G391 PolarHBondContact N-O 3.45Å; T389-G391 WeakPolarHBondContact CB-O 3.22Å; T389-G391 PolarHBondContact OG1-O 3.28Å; G391-V414 CarbonylContact C-O 3.2Å; G391-V414 WeakPolarHBondContact CA-O 3.35Å
392Q97.4Very high95.2Very high31 Ų3142.1 Ų42.115%0.14521%0.206CC..EExtended strand (participates in β ladder)trans-148.4143.3176.371.3-80.2-0.800112.4E208 L209 I211 L412 S413 V414E208-Q392 PolarHBondContact OE1-N 3.38Å; L209-Q392 HydrophobicContact CB-CB 3.93Å; L209-Q392 HydrophobicContact CD2-CB 4.22Å; L209-Q392 HydrophobicContact CG-CB 4.3Å; L209-Q392 CarbonylContact O-C 2.97Å; L209-Q392 VanDerWaalsContact O-CA 3.23Å; L209-Q392 WeakPolarHBondContact O-CA 3.23Å; I211-Q392 HydrophobicContact CG2-CB 4.12Å; Q392-L412 PolarHBondContact NE2-O 2.7Å; Q392-S413 CarbonylContact O-C 3.5Å; Q392-S413 WeakPolarHBondContact O-CA 3.44Å; Q392-S413 WeakPolarHBondContact O-CB 3.33Å; Q392-V414 PolarHBondContact N-O 2.73Å; Q392-V414 PolarHBondContact O-N 3.11Å
393I97.7Very high94.9Very high1 Ų143.3 Ų43.31%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-105109.1165.6-59.2167.5000106.3V196 V200 I202 E208 L209 I210 I211 I221 L395 I408V196-I393 HydrophobicContact CG1-CD1 3.79Å; V196-I393 HydrophobicContact CG2-CD1 4.13Å; V200-I393 HydrophobicContact CB-CG1 4.36Å; V200-I393 HydrophobicContact CG1-CG1 3.97Å; I202-I393 HydrophobicContact CD1-CD1 4.08Å; E208-I393 HydrophobicContact CG-CD1 4.03Å; E208-I393 HydrophobicContact CG-CG1 4.04Å; L209-I393 PolarHBondContact O-N 3.43Å; I210-I393 HydrophobicContact CG1-CD1 4.45Å; I211-I393 PolarHBondContact N-O 3.19Å; I221-I393 HydrophobicContact CD1-CG2 4.36Å; I393-L395 HydrophobicContact CG2-CD2 4.16Å; I393-I408 HydrophobicContact CG2-CD1 3.99Å; I393-I408 HydrophobicContact CG2-CG1 3.98Å; I393-I408 HydrophobicContact CG2-CG2 4.25Å
394F96.8Very high94.8Very high15 Ų1541.7 Ų41.77%0.06621%0.208CC..EExtended strand (participates in β ladder)trans-95.5120.9-178.1-165.5-94.4000110.7I211 V377 E396 I408 N409 L412 S413I211-F394 HydrophobicContact CG1-CD2 4.34Å; I211-F394 HydrophobicContact CG1-CE2 4.23Å; I211-F394 HydrophobicContact CG2-CB 4.4Å; I211-F394 HydrophobicContact CG2-CD2 3.65Å; I211-F394 HydrophobicContact CG2-CE2 4.38Å; I211-F394 HydrophobicContact CG2-CG 4.48Å; I211-F394 CarbonylContact O-C 3.42Å; I211-F394 WeakPolarHBondContact O-CA 3.48Å; V377-F394 HydrophobicContact CG1-CD2 4.04Å; V377-F394 HydrophobicContact CG1-CE2 3.17Å; V377-F394 HydrophobicContact CG1-CZ 3.72Å; F394-E396 HydrophobicContact CD1-CG 3.8Å; F394-E396 HydrophobicContact CE1-CG 3.59Å; F394-I408 WeakPolarHBondContact O-CA 3.45Å; F394-N409 HydrophobicContact CD1-CB 4.03Å; F394-N409 PolarHBondContact O-N 3.32Å; F394-L412 HydrophobicContact CB-CB 3.9Å; F394-L412 HydrophobicContact CD1-CB 4.14Å; F394-L412 HydrophobicContact CD1-CD1 3.62Å; F394-L412 HydrophobicContact CE1-CD1 3.73Å; F394-L412 HydrophobicContact CG-CB 4.02Å; F394-L412 HydrophobicContact CG-CD1 4.16Å; F394-L412 HydrophobicContact CZ-CD1 4.41Å; F394-S413 PolarHBondContact N-OG 2.98Å
395L96.5Very high94.8Very high2 Ų246.4 Ų46.41%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-103.9127178.3-56.4-174.9000111.7I210 I211 G212 K218 I221 I393 A407 I408I210-L395 HydrophobicContact CG2-CD1 4.39Å; I211-L395 PolarHBondContact O-N 2.76Å; G212-L395 WeakPolarHBondContact CA-O 3.47Å; K218-L395 HydrophobicContact CB-CD1 4.26Å; K218-L395 HydrophobicContact CG-CD1 3.68Å; I221-L395 HydrophobicContact CD1-CD1 3.89Å; I221-L395 HydrophobicContact CD1-CD2 3.74Å; I221-L395 HydrophobicContact CD1-CG 4.34Å; I393-L395 HydrophobicContact CG2-CD2 4.16Å; L395-A407 VanDerWaalsContact CA-O 3.27Å; L395-A407 WeakPolarHBondContact CA-O 3.38Å; L395-I408 HydrophobicContact CD2-CB 4.39Å; L395-I408 HydrophobicContact CD2-CG1 3.62Å
396E93.4Very high94.7Very high46 Ų4647.7 Ų47.722%0.21523%0.233CC..  trans-106.6134.9-179-76.3178.7159.700112.7F394 E398 L399 F400 A407 N409 R441F394-E396 HydrophobicContact CD1-CG 3.8Å; F394-E396 HydrophobicContact CE1-CG 3.59Å; E396-E398 VanDerWaalsContact C-N 3.31Å; E396-E398 PolarHBondContact O-N 3.06Å; E396-L399 HydrophobicContact CB-CB 4.31Å; E396-L399 HydrophobicContact CB-CD1 3.94Å; E396-L399 HydrophobicContact CB-CG 3.93Å; E396-L399 PolarHBondContact O-N 3.12Å; E396-L399 WeakPolarHBondContact OE2-CD1 3.48Å; E396-F400 PolarHBondContact O-N 3.39Å; E396-A407 PolarHBondContact N-O 2.58Å; E396-A407 WeakPolarHBondContact O-CB 3.27Å; E396-N409 HydrophobicContact CG-CB 4.05Å; E396-N409 PolarHBondContact OE1-ND2 3.22Å; E396-N409 PolarHBondContact OE2-ND2 3.48Å; E396-N409 VanDerWaalsContact OE2-ND2 3.11Å; E396-R441 IonicContact OE2-NH1 3.66Å; E396-R441 PolarHBondContact OE2-NH1 2.82Å
397T93.1Very high94.6Very high34 Ų3445.5 Ų45.521%0.20922%0.222CC..Hα-helixtrans-63.8-37.2175.9-45.30000111.7D213 F400 Y401D213-T397 WeakPolarHBondContact CB-OG1 3.42Å; D213-T397 PolarHBondContact OD2-OG1 3.43Å; T397-F400 WeakPolarHBondContact O-CB 3.27Å; T397-F400 PolarHBondContact O-N 2.63Å; T397-Y401 HydrophobicContact CG2-CD2 3.91Å; T397-Y401 HydrophobicContact CG2-CE2 3.31Å; T397-Y401 VanDerWaalsContact O-CD2 3.27Å; T397-Y401 WeakPolarHBondContact O-CD2 3.45Å; T397-Y401 PolarHBondContact O-N 3.15Å
398E91.6Very high94.5Very high132 Ų13242.4 Ų42.462%0.61720%0.2SC*.Hα-helixtrans-63.7-44.1179.2-65.3-172-175.100112.9E396 F400 Y401 K402E396-E398 VanDerWaalsContact C-N 3.31Å; E396-E398 PolarHBondContact O-N 3.06Å; E398-F400 VanDerWaalsContact C-N 3.27Å; E398-F400 PolarHBondContact O-N 3.25Å; E398-Y401 PolarHBondContact O-N 3.46Å; E398-K402 WeakPolarHBondContact O-CG 3.35Å; E398-K402 PolarHBondContact O-N 2.97Å
399L92.2Very high94.3Very high14 Ų1442.5 Ų42.57%0.07320%0.2CC..Hα-helixtrans-62.5-39.5176.3-62.6176.6000110.8E396 Y401 K402 G403 I404 A407 I408 N409E396-L399 HydrophobicContact CB-CB 4.31Å; E396-L399 HydrophobicContact CB-CD1 3.94Å; E396-L399 HydrophobicContact CB-CG 3.93Å; E396-L399 PolarHBondContact O-N 3.12Å; E396-L399 WeakPolarHBondContact OE2-CD1 3.48Å; L399-Y401 VanDerWaalsContact C-N 3.34Å; L399-Y401 PolarHBondContact O-N 3.23Å; L399-K402 CarbonylContact O-C 3.39Å; L399-K402 PolarHBondContact O-N 3.45Å; L399-G403 PolarHBondContact O-N 3.29Å; L399-I404 HydrophobicContact CB-CB 4.27Å; L399-I404 HydrophobicContact CD2-CD1 3.84Å; L399-I404 WeakPolarHBondContact O-CB 3.31Å; L399-I404 PolarHBondContact O-N 3.23Å; L399-A407 HydrophobicContact CB-CB 4.08Å; L399-I408 WeakPolarHBondContact CD1-O 3.33Å; L399-N409 HydrophobicContact CD1-CB 4.4Å
400F92Very high94Very high40 Ų4043 Ų4318%0.17520%0.203CC..Hα-helixtrans-61.1-41.7177.7-173-88.9000112.4E396 T397 E398 G403 R405 A407E396-F400 PolarHBondContact O-N 3.39Å; T397-F400 WeakPolarHBondContact O-CB 3.27Å; T397-F400 PolarHBondContact O-N 2.63Å; E398-F400 VanDerWaalsContact C-N 3.27Å; E398-F400 PolarHBondContact O-N 3.25Å; F400-G403 PolarHBondContact O-N 3.23Å; F400-R405 HydrophobicContact CD2-CG 4.14Å; F400-R405 HydrophobicContact CE2-CG 4.22Å; F400-A407 HydrophobicContact CB-CB 3.8Å; F400-A407 HydrophobicContact CD2-CB 4.28Å
401Y91.7Very high93.6Very high180 Ų18043.8 Ų43.871%0.70622%0.219SC*.Hα-helixtrans-73.6-29.2176.2-68.2-47.1000113.3T397 E398 L399 G403T397-Y401 HydrophobicContact CG2-CD2 3.91Å; T397-Y401 HydrophobicContact CG2-CE2 3.31Å; T397-Y401 VanDerWaalsContact O-CD2 3.27Å; T397-Y401 WeakPolarHBondContact O-CD2 3.45Å; T397-Y401 PolarHBondContact O-N 3.15Å; E398-Y401 PolarHBondContact O-N 3.46Å; L399-Y401 VanDerWaalsContact C-N 3.34Å; L399-Y401 PolarHBondContact O-N 3.23Å; Y401-G403 PolarHBondContact O-N 3.43Å
402K90.8Very high93.4Very high140 Ų14047.9 Ų47.961%0.60924%0.24SC*.THydrogen-bonded Turntrans-71.92.1170-70.2173.9-177.81720113.4E398 L399 I404E398-K402 WeakPolarHBondContact O-CG 3.35Å; E398-K402 PolarHBondContact O-N 2.97Å; L399-K402 CarbonylContact O-C 3.39Å; L399-K402 PolarHBondContact O-N 3.45Å; K402-I404 VanDerWaalsContact C-N 3.31Å; K402-I404 PolarHBondContact O-N 3.4Å
403G91.1Very high93.2Very high32 Ų3246.4 Ų46.433%0.3323%0.233SC..THydrogen-bonded Turntrans77.913178.800000114.3L399 F400 Y401 R405 K472L399-G403 PolarHBondContact O-N 3.29Å; F400-G403 PolarHBondContact O-N 3.23Å; Y401-G403 PolarHBondContact O-N 3.43Å; G403-R405 PolarHBondContact O-N 3.43Å; G403-K472 VanDerWaalsContact O-CE 3.31Å; G403-K472 WeakPolarHBondContact O-CE 3.39Å
404I92.4Very high93.1Very high31 Ų3148.8 Ų48.816%0.15925%0.248CC..  trans-85.5108.4172.9-59166.9000107.6L399 K402 A407 T468L399-I404 HydrophobicContact CB-CB 4.27Å; L399-I404 HydrophobicContact CD2-CD1 3.84Å; L399-I404 WeakPolarHBondContact O-CB 3.31Å; L399-I404 PolarHBondContact O-N 3.23Å; K402-I404 VanDerWaalsContact C-N 3.31Å; K402-I404 PolarHBondContact O-N 3.4Å; I404-A407 WeakPolarHBondContact O-CA 3.41Å; I404-T468 HydrophobicContact CD1-CG2 3.69Å; I404-T468 HydrophobicContact CG1-CG2 4.05Å; I404-T468 HydrophobicContact CG2-CG2 4.45Å
405R94.3Very high93.1Very high116 Ų11648.8 Ų48.844%0.43825%0.25SC..SBendtrans-135.1122.7-177.1-63-179.4-175.8168.63108.5F400 G403 K472 Q473F400-R405 HydrophobicContact CD2-CG 4.14Å; F400-R405 HydrophobicContact CE2-CG 4.22Å; G403-R405 PolarHBondContact O-N 3.43Å; R405-K472 CarbonylContact O-C 3.34Å; R405-K472 VanDerWaalsContact O-CA 3.31Å; R405-K472 WeakPolarHBondContact O-CA 3.36Å; R405-Q473 PolarHBondContact O-N 2.91Å
406P94.9Very high93Very high26 Ų2655.1 Ų55.117%0.16927%0.274CS..SBendcis-67145.30.931.2-37.4000112.8I193 A195 I221 I408I193-P406 HydrophobicContact CG2-CG 3.76Å; A195-P406 HydrophobicContact CB-CG 4.03Å; I221-P406 HydrophobicContact CD1-CB 4.29Å; I221-P406 HydrophobicContact CG1-CB 4.47Å; P406-I408 HydrophobicContact CB-CD1 4.26Å; P406-I408 HydrophobicContact CB-CG1 4.13Å; P406-I408 HydrophobicContact CG-CD1 4.06Å; P406-I408 HydrophobicContact CG-CG1 4.32Å; P406-I408 PolarHBondContact O-N 3.06Å
407A94.8Very high93Very high1 Ų154.7 Ų54.71%0.00827%0.274CS..  trans-83.349.3-169.300000113.3L395 E396 L399 F400 I404L395-A407 VanDerWaalsContact CA-O 3.27Å; L395-A407 WeakPolarHBondContact CA-O 3.38Å; E396-A407 PolarHBondContact N-O 2.58Å; E396-A407 WeakPolarHBondContact O-CB 3.27Å; L399-A407 HydrophobicContact CB-CB 4.08Å; F400-A407 HydrophobicContact CB-CB 3.8Å; F400-A407 HydrophobicContact CD2-CB 4.28Å; I404-A407 WeakPolarHBondContact O-CA 3.41Å
408I95Very high92.9Very high7 Ų754 Ų544%0.03627%0.274CS..BIsolated β-bridgetrans-80.4126.1-172.2-58.8177.8000110.8A195 V196 I393 F394 L395 L399 P406 V410 S413 R441A195-I408 HydrophobicContact CB-CD1 3.81Å; V196-I408 HydrophobicContact CG2-CD1 3.53Å; I393-I408 HydrophobicContact CG2-CD1 3.99Å; I393-I408 HydrophobicContact CG2-CG1 3.98Å; I393-I408 HydrophobicContact CG2-CG2 4.25Å; F394-I408 WeakPolarHBondContact O-CA 3.45Å; L395-I408 HydrophobicContact CD2-CB 4.39Å; L395-I408 HydrophobicContact CD2-CG1 3.62Å; L399-I408 WeakPolarHBondContact CD1-O 3.33Å; P406-I408 HydrophobicContact CB-CD1 4.26Å; P406-I408 HydrophobicContact CB-CG1 4.13Å; P406-I408 HydrophobicContact CG-CD1 4.06Å; P406-I408 HydrophobicContact CG-CG1 4.32Å; P406-I408 PolarHBondContact O-N 3.06Å; I408-V410 PolarHBondContact O-N 3.27Å; I408-S413 WeakPolarHBondContact CG2-OG 3.45Å; I408-R441 PolarHBondContact O-NH2 3.06Å
409N93.4Very high92.9Very high13 Ų1350.2 Ų50.27%0.0726%0.262CS..  trans-79.3112.1166.6-177.6-40.3000109.8F394 E396 L399 G411 L412 S413 R441F394-N409 HydrophobicContact CD1-CB 4.03Å; F394-N409 PolarHBondContact O-N 3.32Å; E396-N409 HydrophobicContact CG-CB 4.05Å; E396-N409 PolarHBondContact OE1-ND2 3.22Å; E396-N409 PolarHBondContact OE2-ND2 3.48Å; E396-N409 VanDerWaalsContact OE2-ND2 3.11Å; L399-N409 HydrophobicContact CD1-CB 4.4Å; N409-G411 VanDerWaalsContact C-N 3.33Å; N409-G411 PolarHBondContact O-N 2.77Å; N409-G411 WeakPolarHBondContact OD1-CA 3.42Å; N409-G411 PolarHBondContact OD1-N 3.01Å; N409-L412 HydrophobicContact CB-CB 4.25Å; N409-L412 PolarHBondContact OD1-N 3.04Å; N409-S413 WeakPolarHBondContact O-CB 3.37Å; N409-S413 PolarHBondContact O-N 2.97Å; N409-S413 PolarHBondContact O-OG 3.04Å; N409-R441 PolarHBondContact ND2-NH1 3.14Å; N409-R441 PolarHBondContact OD1-NH1 3.22Å
410V90.9Very high92.9Very high11 Ų1151.8 Ų51.87%0.06728%0.277CS..THydrogen-bonded Turntrans-65-32.8-177.7-174.90000113.4L199 I408 K434 L437L199-V410 HydrophobicContact CD1-CB 4.46Å; L199-V410 HydrophobicContact CD1-CG1 4.07Å; L199-V410 HydrophobicContact CD1-CG2 3.73Å; I408-V410 PolarHBondContact O-N 3.27Å; V410-K434 HydrophobicContact CG1-CG 4.05Å; V410-L437 HydrophobicContact CG1-CB 4.02Å; V410-L437 HydrophobicContact CG2-CB 4.49Å; V410-L437 HydrophobicContact CG2-CD1 4.36Å
411G88.7Confident93Very high48 Ų4850 Ų5050%0.49527%0.27SS..THydrogen-bonded Turntrans-78.3-43.1-178.600000113.1N409N409-G411 VanDerWaalsContact C-N 3.33Å; N409-G411 PolarHBondContact O-N 2.77Å; N409-G411 WeakPolarHBondContact OD1-CA 3.42Å; N409-G411 PolarHBondContact OD1-N 3.01Å
412L91.8Very high93Very high85 Ų8542.8 Ų42.845%0.44524%0.242SC..THydrogen-bonded Turntrans-80.6-22-179.8-64.3179000113.2Q392 F394 N409Q392-L412 PolarHBondContact NE2-O 2.7Å; F394-L412 HydrophobicContact CB-CB 3.9Å; F394-L412 HydrophobicContact CD1-CB 4.14Å; F394-L412 HydrophobicContact CD1-CD1 3.62Å; F394-L412 HydrophobicContact CE1-CD1 3.73Å; F394-L412 HydrophobicContact CG-CB 4.02Å; F394-L412 HydrophobicContact CG-CD1 4.16Å; F394-L412 HydrophobicContact CZ-CD1 4.41Å; N409-L412 HydrophobicContact CB-CB 4.25Å; N409-L412 PolarHBondContact OD1-N 3.04Å
413S95.3Very high93.2Very high0 Ų037.5 Ų37.50%022%0.222CC..  trans-83.9131178.9-52.10000112.1Q392 F394 I408 N409 K434Q392-S413 CarbonylContact O-C 3.5Å; Q392-S413 WeakPolarHBondContact O-CA 3.44Å; Q392-S413 WeakPolarHBondContact O-CB 3.33Å; F394-S413 PolarHBondContact N-OG 2.98Å; I408-S413 WeakPolarHBondContact CG2-OG 3.45Å; N409-S413 WeakPolarHBondContact O-CB 3.37Å; N409-S413 PolarHBondContact O-N 2.97Å; N409-S413 PolarHBondContact O-OG 3.04Å; S413-K434 PolarHBondContact O-NZ 2.62Å
414V95.6Very high93.3Very high52 Ų5244.9 Ų44.932%0.31524%0.24SC..EExtended strand (participates in β ladder)trans-144.2134.6-171.51770000109.8E208 G391 Q392 R416E208-V414 VanDerWaalsContact OE1-O 3.11Å; G391-V414 CarbonylContact C-O 3.2Å; G391-V414 WeakPolarHBondContact CA-O 3.35Å; Q392-V414 PolarHBondContact N-O 2.73Å; Q392-V414 PolarHBondContact O-N 3.11Å; V414-R416 HydrophobicContact CG1-CG 4.45Å
415S95.8Very high93.3Very high15 Ų1543.5 Ų43.511%0.10523%0.233CC..EExtended strand (participates in β ladder)trans-116.1116.9165.9165.10000107.8P201 Q206 V417 G418P201-S415 WeakPolarHBondContact O-CB 3.17Å; P201-S415 PolarHBondContact O-OG 3.4Å; Q206-S415 PolarHBondContact NE2-OG 2.81Å; S415-V417 VanDerWaalsContact C-N 3.31Å; S415-G418 PolarHBondContact O-N 2.84Å; S415-G418 PolarHBondContact OG-N 3.31Å
416R94.7Very high93.4Very high134 Ų13438 Ų3851%0.50621%0.212SC..SBendtrans-74.9-21.2-178.1-64.7168.5-121.7158.70.9112.9I386 T389 D390 V414 G418I386-R416 PolarHBondContact O-NH2 3.39Å; T389-R416 PolarHBondContact O-NH1 3.39Å; T389-R416 PolarHBondContact O-NH2 2.99Å; D390-R416 VanDerWaalsContact C-CZ 3.43Å; D390-R416 VanDerWaalsContact C-NE 3.32Å; D390-R416 WeakPolarHBondContact O-CB 3.41Å; D390-R416 WeakPolarHBondContact O-CD 3.33Å; D390-R416 WeakPolarHBondContact O-CG 3.4Å; D390-R416 PolarHBondContact O-N 3.34Å; D390-R416 PolarHBondContact O-NE 3.33Å; V414-R416 HydrophobicContact CG1-CG 4.45Å; R416-G418 VanDerWaalsContact C-N 3.31Å
417V93.3Very high93.3Very high37 Ų3741.7 Ų41.722%0.22423%0.226CC..SBendtrans-69.3-35.8169.4-179.40000110.2V185 Q206 S415 A420 A421V185-V417 HydrophobicContact CB-CG1 4.24Å; V185-V417 HydrophobicContact CG1-CG1 4.21Å; Q206-V417 VanDerWaalsContact CD-CG2 3.48Å; Q206-V417 HydrophobicContact CG-CG2 3.93Å; S415-V417 VanDerWaalsContact C-N 3.31Å; V417-A420 HydrophobicContact CG1-CB 4.11Å; V417-A421 HydrophobicContact CB-CB 4.5Å; V417-A421 HydrophobicContact CG1-CB 3.78Å
418G91.6Very high93.2Very high21 Ų2147 Ų4722%0.21625%0.25CS..G310 helixtrans59.7-142.4174.100000113P201 S415 R416 A420 A421P201-G418 WeakPolarHBondContact CG-O 3.38Å; S415-G418 PolarHBondContact O-N 2.84Å; S415-G418 PolarHBondContact OG-N 3.31Å; R416-G418 VanDerWaalsContact C-N 3.31Å; G418-A420 PolarHBondContact O-N 2.85Å; G418-A421 PolarHBondContact O-N 3.48Å
419S90.6Very high93.1Very high51 Ų5147 Ų4736%0.35725%0.251SS..G310 helixtrans-63.6-9.4-173.472.60000115.4A421 Q422 K427S419-A421 PolarHBondContact O-N 3.39Å; S419-Q422 PolarHBondContact O-N 3.24Å; S419-K427 WeakPolarHBondContact OG-CE 3.46Å; S419-K427 PolarHBondContact OG-NZ 2.91Å
420A92.7Very high93Very high48 Ų4846.7 Ų46.740%0.39725%0.25SC..G310 helixtrans-67.2-23.1172.200000112.3R186 V417 G418R186-A420 CarbonylContact C-O 3.58Å; R186-A420 WeakPolarHBondContact CA-O 3.34Å; V417-A420 HydrophobicContact CG1-CB 4.11Å; G418-A420 PolarHBondContact O-N 2.85Å
421A93.6Very high92.9Very high2 Ų248.9 Ų48.92%0.01728%0.275CS..G310 helixtrans-93.514.9175.200000113.4P188 P201 V417 G418 S419P188-A421 WeakPolarHBondContact CA-O 3.5Å; P188-A421 VanDerWaalsContact CB-O 3.27Å; P188-A421 WeakPolarHBondContact CB-O 3.41Å; P201-A421 HydrophobicContact CB-CB 4.33Å; V417-A421 HydrophobicContact CB-CB 4.5Å; V417-A421 HydrophobicContact CG1-CB 3.78Å; G418-A421 PolarHBondContact O-N 3.48Å; S419-A421 PolarHBondContact O-N 3.39Å
422Q92.7Very high92.9Very high28 Ų2850 Ų5013%0.13127%0.272CS..SBendtrans-110.2151.6177.8-73.1-180-40.400112.1D197 S198 P201 S419 K427D197-Q422 PolarHBondContact O-NE2 2.98Å; S198-Q422 PolarHBondContact O-NE2 2.88Å; P201-Q422 HydrophobicContact CB-CG 3.35Å; P201-Q422 HydrophobicContact CG-CG 3.63Å; S419-Q422 PolarHBondContact O-N 3.24Å; Q422-K427 HydrophobicContact CB-CB 4.41Å
423T93.2Very high92.8Very high29 Ų2946 Ų4618%0.17825%0.251CS..  trans-64.3151.1162.362.20000109.4P188 A425 M426 K427 I481P188-T423 HydrophobicContact CG-CG2 4.05Å; T423-A425 PolarHBondContact O-N 3.43Å; T423-M426 PolarHBondContact O-N 2.88Å; T423-M426 WeakPolarHBondContact OG1-CB 3.49Å; T423-M426 PolarHBondContact OG1-N 2.81Å; T423-K427 PolarHBondContact O-N 3.21Å; T423-I481 HydrophobicContact CG2-CG1 4.26Å
424R93.3Very high92.6Very high187 Ų18749.1 Ų49.171%0.70627%0.265SS*.Hα-helixtrans-61.6-37-179.7-63.7179.7179.2175.9-1111.2K427 Q428 G530 K531R424-K427 PolarHBondContact O-N 2.87Å; R424-Q428 WeakPolarHBondContact O-CG 3.45Å; R424-Q428 PolarHBondContact O-N 3.43Å; R424-G530 CarbonylContact C-O 3.57Å; R424-G530 WeakPolarHBondContact CA-O 3.42Å; R424-G530 WeakPolarHBondContact CB-O 3.49Å; R424-G530 PolarHBondContact N-O 3.08Å; R424-K531 HydrophobicContact CB-CB 4.13Å
425A94.3Very high92.3Very high2 Ų251.9 Ų51.92%0.01728%0.277CS..Hα-helixtrans-58.8-49.6174.800000112.2T423 K427 Q428 V429 V485 I526 G530 I532T423-A425 PolarHBondContact O-N 3.43Å; A425-K427 VanDerWaalsContact C-N 3.34Å; A425-K427 PolarHBondContact O-N 2.86Å; A425-Q428 PolarHBondContact O-N 3.01Å; A425-V429 PolarHBondContact O-N 2.98Å; A425-V485 HydrophobicContact CB-CG1 4.38Å; A425-V485 HydrophobicContact CB-CG2 4.14Å; A425-I526 HydrophobicContact CB-CG2 4.14Å; A425-G530 PolarHBondContact N-O 2.84Å; A425-I532 HydrophobicContact CB-CG1 4.04Å
426M95.4Very high92.1Very high1 Ų152.8 Ų52.81%0.00528%0.28CS..Hα-helixtrans-63.3-41.8177.2-175.757.374.300111.3T423 Q428 V429 A430 I481 Q484 V485 I488T423-M426 PolarHBondContact O-N 2.88Å; T423-M426 WeakPolarHBondContact OG1-CB 3.49Å; T423-M426 PolarHBondContact OG1-N 2.81Å; M426-Q428 VanDerWaalsContact C-N 3.31Å; M426-Q428 PolarHBondContact O-N 3.42Å; M426-V429 WeakPolarHBondContact O-CG2 3.28Å; M426-V429 PolarHBondContact O-N 2.94Å; M426-V429 HydrophobicContact SD-CG2 4.02Å; M426-A430 HydrophobicContact CG-CB 4.32Å; M426-A430 VanDerWaalsContact O-CB 3.31Å; M426-A430 WeakPolarHBondContact O-CB 3.29Å; M426-A430 PolarHBondContact O-N 3.07Å; M426-A430 HydrophobicContact SD-CB 3.9Å; M426-I481 HydrophobicContact CB-CD1 4.35Å; M426-I481 HydrophobicContact CE-CD1 3.49Å; M426-I481 VanDerWaalsContact CE-CD1 3.49Å; M426-Q484 HydrophobicContact CE-CB 3.8Å; M426-V485 HydrophobicContact CB-CG2 4.29Å; M426-V485 HydrophobicContact CE-CG2 3.88Å; M426-V485 HydrophobicContact SD-CG2 4.44Å; M426-I488 HydrophobicContact CE-CD1 3.84Å; M426-I488 HydrophobicContact SD-CD1 3.76Å
427K93.6Very high92Very high104 Ų10446.6 Ų46.645%0.45226%0.256SS..Hα-helixtrans-59.8-39.2177.5-176.9175.5179.1160.90112.7S419 Q422 T423 R424 A425 V429 G431S419-K427 WeakPolarHBondContact OG-CE 3.46Å; S419-K427 PolarHBondContact OG-NZ 2.91Å; Q422-K427 HydrophobicContact CB-CB 4.41Å; T423-K427 PolarHBondContact O-N 3.21Å; R424-K427 PolarHBondContact O-N 2.87Å; A425-K427 VanDerWaalsContact C-N 3.34Å; A425-K427 PolarHBondContact O-N 2.86Å; K427-V429 VanDerWaalsContact C-N 3.32Å; K427-V429 PolarHBondContact O-N 3.37Å; K427-G431 PolarHBondContact O-N 3.36Å
428Q92.7Very high91.8Very high111 Ų11146.3 Ų46.352%0.51926%0.258SS..Hα-helixtrans-64.6-34.7178.2-75.4170.9-54.100112.5R424 A425 M426 I532R424-Q428 WeakPolarHBondContact O-CG 3.45Å; R424-Q428 PolarHBondContact O-N 3.43Å; A425-Q428 PolarHBondContact O-N 3.01Å; M426-Q428 VanDerWaalsContact C-N 3.31Å; M426-Q428 PolarHBondContact O-N 3.42Å; Q428-I532 PolarHBondContact NE2-O 3.07Å
429V92.8Very high91.8Very high9 Ų949.1 Ų49.16%0.05527%0.266CS..Hα-helixtrans-94.8-35.3-176.4-58.60000113.7A425 M426 K427 V485 I488 Y489 V492 I532A425-V429 PolarHBondContact O-N 2.98Å; M426-V429 WeakPolarHBondContact O-CG2 3.28Å; M426-V429 PolarHBondContact O-N 2.94Å; M426-V429 HydrophobicContact SD-CG2 4.02Å; K427-V429 VanDerWaalsContact C-N 3.32Å; K427-V429 PolarHBondContact O-N 3.37Å; V429-V485 HydrophobicContact CG1-CG1 4.26Å; V429-V485 HydrophobicContact CG2-CG1 4.32Å; V429-V485 HydrophobicContact CG2-CG2 4.45Å; V429-I488 HydrophobicContact CB-CG2 4.22Å; V429-I488 HydrophobicContact CG2-CB 4.31Å; V429-I488 HydrophobicContact CG2-CG2 3.89Å; V429-Y489 HydrophobicContact CG1-CD2 4.01Å; V429-V492 WeakPolarHBondContact O-CG1 3.33Å; V429-I532 HydrophobicContact CG1-CD1 3.35Å
430A91.4Very high91.9Very high5 Ų548.9 Ų48.94%0.04126%0.257CS..Hα-helixtrans-94-6.7-174.200000113.8M426 T432 M433M426-A430 HydrophobicContact CG-CB 4.32Å; M426-A430 VanDerWaalsContact O-CB 3.31Å; M426-A430 WeakPolarHBondContact O-CB 3.29Å; M426-A430 PolarHBondContact O-N 3.07Å; M426-A430 HydrophobicContact SD-CB 3.9Å; A430-T432 VanDerWaalsContact C-N 3.31Å; A430-T432 PolarHBondContact O-N 3.45Å; A430-M433 VanDerWaalsContact O-CB 3.32Å; A430-M433 WeakPolarHBondContact O-CB 3.41Å; A430-M433 PolarHBondContact O-N 2.9Å
431G88.2Confident91.6Very high57 Ų5750 Ų5059%0.58825%0.251SS*.THydrogen-bonded Turntrans-56.1-37.7-170.900000115K427K427-G431 PolarHBondContact O-N 3.36Å
432T87.9Confident91.3Very high73 Ų7356 Ų5645%0.44828%0.279SS..THydrogen-bonded Turntrans-92.1-16.7177.461.10000113.2A430 K434 L435 E436A430-T432 VanDerWaalsContact C-N 3.31Å; A430-T432 PolarHBondContact O-N 3.45Å; T432-K434 PolarHBondContact O-N 3.42Å; T432-L435 PolarHBondContact O-N 3.15Å; T432-L435 VanDerWaalsContact O-N 3.15Å; T432-E436 WeakPolarHBondContact O-CG 3.33Å; T432-E436 PolarHBondContact O-N 2.96Å; T432-E436 PolarHBondContact OG1-OE1 3.46Å
433M90.9Very high91.2Very high0 Ų056.4 Ų56.40%028%0.283CS..Hα-helixtrans-61.2-41.2-169.3-169.3-177.4-166.300112.8L199 A430 L435 E436 L437 L467 L471 I488 V492L199-M433 HydrophobicContact CD2-CB 4.47Å; L199-M433 HydrophobicContact CD2-CG 4.16Å; L199-M433 HydrophobicContact CD2-SD 4.23Å; A430-M433 VanDerWaalsContact O-CB 3.32Å; A430-M433 WeakPolarHBondContact O-CB 3.41Å; A430-M433 PolarHBondContact O-N 2.9Å; M433-L435 PolarHBondContact O-N 2.96Å; M433-E436 PolarHBondContact O-N 2.8Å; M433-L437 HydrophobicContact CE-CD1 4.37Å; M433-L437 HydrophobicContact CG-CD1 4.08Å; M433-L437 WeakPolarHBondContact O-CB 3.47Å; M433-L437 WeakPolarHBondContact O-CG 3.43Å; M433-L437 PolarHBondContact O-N 3.28Å; M433-L467 HydrophobicContact CE-CB 4.33Å; M433-L467 HydrophobicContact CE-CD2 4.17Å; M433-L471 HydrophobicContact CE-CD1 3.84Å; M433-L471 HydrophobicContact CE-CD2 3.6Å; M433-L471 HydrophobicContact CE-CG 3.65Å; M433-L471 HydrophobicContact SD-CD2 4.47Å; M433-I488 HydrophobicContact SD-CG2 4.01Å; M433-V492 HydrophobicContact CB-CG2 4.09Å; M433-V492 HydrophobicContact CG-CG2 4.08Å; M433-V492 HydrophobicContact SD-CG2 4.19Å
434K90.1Very high90.9Very high66 Ų6656.1 Ų56.129%0.28728%0.284SS..Hα-helixtrans-64.3-41.2178.9-174.6172.3-173.9166.30112L199 V410 S413 T432 A438L199-K434 HydrophobicContact CD2-CB 4.12Å; V410-K434 HydrophobicContact CG1-CG 4.05Å; S413-K434 PolarHBondContact O-NZ 2.62Å; T432-K434 PolarHBondContact O-N 3.42Å; K434-A438 WeakPolarHBondContact O-CB 3.34Å; K434-A438 PolarHBondContact O-N 2.98Å
435L89.8Confident90.5Very high109 Ų10949.8 Ų49.857%0.57127%0.271SS*.Hα-helixtrans-67.4-46178.8-176.569.3000110.7T432 M433 L437 A438 Q439T432-L435 PolarHBondContact O-N 3.15Å; T432-L435 VanDerWaalsContact O-N 3.15Å; M433-L435 PolarHBondContact O-N 2.96Å; L435-L437 VanDerWaalsContact C-N 3.35Å; L435-L437 PolarHBondContact O-N 3.15Å; L435-A438 PolarHBondContact O-N 3.46Å; L435-Q439 WeakPolarHBondContact O-CG 3.3Å; L435-Q439 PolarHBondContact O-N 2.6Å
436E90.8Very high90Very high35 Ų3557.2 Ų57.216%0.16430%0.304CS..Hα-helixtrans-60-43.1177.7-70.3176.1-170.700111.7T432 M433 Y440 R463T432-E436 WeakPolarHBondContact O-CG 3.33Å; T432-E436 PolarHBondContact O-N 2.96Å; T432-E436 PolarHBondContact OG1-OE1 3.46Å; M433-E436 PolarHBondContact O-N 2.8Å; E436-Y440 VanDerWaalsContact O-CB 3.3Å; E436-Y440 WeakPolarHBondContact O-CB 3.25Å; E436-Y440 PolarHBondContact O-N 2.91Å; E436-R463 VanDerWaalsContact CD-NH2 3.26Å; E436-R463 IonicContact OE1-CZ 2.73Å; E436-R463 IonicContact OE1-NH1 2.82Å; E436-R463 PolarHBondContact OE1-NH1 2.8Å; E436-R463 IonicContact OE1-NH2 3.47Å; E436-R463 PolarHBondContact OE1-NH2 3.45Å; E436-R463 IonicContact OE2-CZ 3.09Å; E436-R463 IonicContact OE2-NE 3.25Å; E436-R463 IonicContact OE2-NH1 3.04Å; E436-R463 IonicContact OE2-NH2 3.25Å; E436-R463 PolarHBondContact OE2-NH2 3.09Å
437L92.6Very high89.5Confident3 Ų358.3 Ų58.32%0.01631%0.312CS..Hα-helixtrans-70.4-31.8177.1-75173.3000113.3L199 V410 M433 L435 Y440 R441 L467 L471L199-L437 HydrophobicContact CD1-CD1 4.18Å; L199-L437 HydrophobicContact CD2-CD1 4Å; V410-L437 HydrophobicContact CG1-CB 4.02Å; V410-L437 HydrophobicContact CG2-CB 4.49Å; V410-L437 HydrophobicContact CG2-CD1 4.36Å; M433-L437 HydrophobicContact CE-CD1 4.37Å; M433-L437 HydrophobicContact CG-CD1 4.08Å; M433-L437 WeakPolarHBondContact O-CB 3.47Å; M433-L437 WeakPolarHBondContact O-CG 3.43Å; M433-L437 PolarHBondContact O-N 3.28Å; L435-L437 VanDerWaalsContact C-N 3.35Å; L435-L437 PolarHBondContact O-N 3.15Å; L437-Y440 HydrophobicContact CD2-CD1 4.48Å; L437-R441 PolarHBondContact O-N 2.92Å; L437-R441 VanDerWaalsContact O-N 3.14Å; L437-L467 HydrophobicContact CD2-CB 3.81Å; L437-L467 HydrophobicContact CG-CB 4.45Å; L437-L471 HydrophobicContact CD1-CD1 3.61Å
438A90.4Very high88.9Confident31 Ų3160.7 Ų60.726%0.25633%0.325SS..Hα-helixtrans-67.4-49.1173.800000110.8K434 L435 Y440 R441 E442K434-A438 WeakPolarHBondContact O-CB 3.34Å; K434-A438 PolarHBondContact O-N 2.98Å; L435-A438 PolarHBondContact O-N 3.46Å; A438-Y440 VanDerWaalsContact C-N 3.31Å; A438-Y440 PolarHBondContact O-N 2.93Å; A438-R441 PolarHBondContact O-N 3.25Å; A438-R441 VanDerWaalsContact O-N 3.12Å; A438-E442 PolarHBondContact O-N 3.02Å; A438-E442 VanDerWaalsContact O-N 3.12Å
439Q90.7Very high88.4Confident81 Ų8163.9 Ų63.938%0.37934%0.338SS..Hα-helixtrans-59.3-43.2174.9-71.4175.8-13.600111.5L435 R441 E442 V443 L460L435-Q439 WeakPolarHBondContact O-CG 3.3Å; L435-Q439 PolarHBondContact O-N 2.6Å; Q439-R441 VanDerWaalsContact C-N 3.3Å; Q439-R441 PolarHBondContact O-N 2.64Å; Q439-E442 PolarHBondContact O-N 2.9Å; Q439-V443 WeakPolarHBondContact O-CB 3.46Å; Q439-V443 WeakPolarHBondContact O-CG2 3.3Å; Q439-V443 PolarHBondContact O-N 2.87Å; Q439-L460 HydrophobicContact CB-CD1 4.04Å; Q439-L460 HydrophobicContact CB-CD2 4.33Å
440Y92Very high87.5Confident45 Ų4565.3 Ų65.318%0.17636%0.355CS..Hα-helixtrans-54-46174.2163.7-112.9000111.9E436 L437 A438 V443 A444 L461 V465E436-Y440 VanDerWaalsContact O-CB 3.3Å; E436-Y440 WeakPolarHBondContact O-CB 3.25Å; E436-Y440 PolarHBondContact O-N 2.91Å; L437-Y440 HydrophobicContact CD2-CD1 4.48Å; A438-Y440 VanDerWaalsContact C-N 3.31Å; A438-Y440 PolarHBondContact O-N 2.93Å; Y440-V443 PolarHBondContact O-N 2.86Å; Y440-A444 HydrophobicContact CD2-CB 4.4Å; Y440-A444 HydrophobicContact CE2-CB 4.05Å; Y440-A444 WeakPolarHBondContact O-CB 3.38Å; Y440-A444 PolarHBondContact O-N 2.93Å; Y440-L461 HydrophobicContact CD2-CD2 3.93Å; Y440-L461 HydrophobicContact CE2-CD2 3.92Å; Y440-V465 HydrophobicContact CE2-CG2 3.93Å; Y440-V465 WeakPolarHBondContact OH-CG2 3.42Å
441R88.1Confident86.6Confident71 Ų7170.6 Ų70.627%0.26839%0.391SS..Hα-helixtrans-65.5-43.8-179.9-80.6-168.2178.5-147-1.6112.8E396 I408 N409 L437 A438 Q439 A444 A445E396-R441 IonicContact OE2-NH1 3.66Å; E396-R441 PolarHBondContact OE2-NH1 2.82Å; I408-R441 PolarHBondContact O-NH2 3.06Å; N409-R441 PolarHBondContact ND2-NH1 3.14Å; N409-R441 PolarHBondContact OD1-NH1 3.22Å; L437-R441 PolarHBondContact O-N 2.92Å; L437-R441 VanDerWaalsContact O-N 3.14Å; A438-R441 PolarHBondContact O-N 3.25Å; A438-R441 VanDerWaalsContact O-N 3.12Å; Q439-R441 VanDerWaalsContact C-N 3.3Å; Q439-R441 PolarHBondContact O-N 2.64Å; R441-A444 PolarHBondContact O-N 2.75Å; R441-A445 PolarHBondContact O-N 2.81Å
442E86.6Confident86.3Confident129 Ų12975.1 Ų75.160%0.60340%0.402SS*.Hα-helixtrans-59-51.2177.5-70.2179.2174.500110A438 Q439 A444 A445 F446A438-E442 PolarHBondContact O-N 3.02Å; A438-E442 VanDerWaalsContact O-N 3.12Å; Q439-E442 PolarHBondContact O-N 2.9Å; E442-A444 PolarHBondContact O-N 3.46Å; E442-A445 PolarHBondContact O-N 3.26Å; E442-F446 WeakPolarHBondContact O-CD2 3.34Å
443V89.5Confident86.2Confident37 Ų3774.1 Ų74.122%0.22439%0.394CS..Hα-helixtrans-69.3-35.9-177.9176.60000112.3Q439 Y440 A445 F446 A447 T457 L460 L461Q439-V443 WeakPolarHBondContact O-CB 3.46Å; Q439-V443 WeakPolarHBondContact O-CG2 3.3Å; Q439-V443 PolarHBondContact O-N 2.87Å; Y440-V443 PolarHBondContact O-N 2.86Å; V443-A445 PolarHBondContact O-N 3.44Å; V443-F446 PolarHBondContact O-N 3.27Å; V443-F446 VanDerWaalsContact O-N 3.1Å; V443-A447 WeakPolarHBondContact O-CB 3.49Å; V443-A447 PolarHBondContact O-N 2.96Å; V443-T457 HydrophobicContact CG1-CG2 3.55Å; V443-L460 HydrophobicContact CB-CD2 3.7Å; V443-L460 HydrophobicContact CG1-CD2 4Å; V443-L460 HydrophobicContact CG2-CD2 3.58Å; V443-L461 HydrophobicContact CB-CD2 4.48Å; V443-L461 HydrophobicContact CG1-CD1 4.48Å; V443-L461 HydrophobicContact CG1-CD2 4.03Å; V443-L461 HydrophobicContact CG1-CG 4.16Å
444A87.7Confident86.1Confident23 Ų2378.5 Ų78.519%0.1942%0.417CS..Hα-helixtrans-63-31177.600000112.7Y440 R441 E442 L461Y440-A444 HydrophobicContact CD2-CB 4.4Å; Y440-A444 HydrophobicContact CE2-CB 4.05Å; Y440-A444 WeakPolarHBondContact O-CB 3.38Å; Y440-A444 PolarHBondContact O-N 2.93Å; R441-A444 PolarHBondContact O-N 2.75Å; E442-A444 PolarHBondContact O-N 3.46Å; A444-L461 HydrophobicContact CB-CD2 3.91Å
445A84.4Confident86.1Confident53 Ų5379 Ų7944%0.43843%0.434SS..Hα-helixtrans-68.1-38.8173.500000111.8R441 E442 V443 F449R441-A445 PolarHBondContact O-N 2.81Å; E442-A445 PolarHBondContact O-N 3.26Å; V443-A445 PolarHBondContact O-N 3.44Å; A445-F449 WeakPolarHBondContact O-CD2 3.28Å; A445-F449 WeakPolarHBondContact O-CE2 3.22Å
446F83.5Confident86.1Confident159 Ų15977 Ų7770%0.69743%0.433SS*.Hα-helixtrans-76.1-36.7177.8-67.7-71.4000113.2E442 V443 Q448 F449E442-F446 WeakPolarHBondContact O-CD2 3.34Å; V443-F446 PolarHBondContact O-N 3.27Å; V443-F446 VanDerWaalsContact O-N 3.1Å; F446-Q448 PolarHBondContact O-N 3.49Å; F446-Q448 VanDerWaalsContact O-N 3.11Å; F446-F449 PolarHBondContact O-N 2.69Å
447A86Confident86Confident23 Ų2376.9 Ų76.919%0.1943%0.434CS..Hα-helixtrans-63-18.2-178.100000113.5V443 F449 L453 L461V443-A447 WeakPolarHBondContact O-CB 3.49Å; V443-A447 PolarHBondContact O-N 2.96Å; A447-F449 PolarHBondContact O-N 3.34Å; A447-L453 HydrophobicContact CB-CD1 4.04Å; A447-L453 HydrophobicContact CB-CD2 4.29Å; A447-L461 HydrophobicContact CB-CD1 3.67Å; A447-L461 HydrophobicContact CB-CD2 4.39Å
448Q81.3Confident85.8Confident154 Ų15482 Ų8272%0.7246%0.458SS*.THydrogen-bonded Turntrans-67-19.1172.8-69.3179.44.800113.3F446F446-Q448 PolarHBondContact O-N 3.49Å; F446-Q448 VanDerWaalsContact O-N 3.11Å
449F80.9Confident85.8Confident178 Ų17886.2 Ų86.278%0.78147%0.472SS*.THydrogen-bonded Turntrans-111.6-9-175.3-57.8-77.9000113.9A445 F446 A447A445-F449 WeakPolarHBondContact O-CD2 3.28Å; A445-F449 WeakPolarHBondContact O-CE2 3.22Å; F446-F449 PolarHBondContact O-N 2.69Å; A447-F449 PolarHBondContact O-N 3.34Å
450G74.5Confident85.8Confident40 Ų4084.5 Ų84.541%0.41247%0.466SS..  trans-100.6136.3-17800000112.5
451S73.3Confident85.8Confident116 Ų11683.6 Ų83.681%0.81146%0.464SS*.SBendtrans-84.8-35.5175.855.20000113.2
452D81.4Confident85.9Confident151 Ų15182.3 Ų82.381%0.80747%0.466SS*.  trans-119.7120.8179.7-74.2-42.2000110.3
453L85.5Confident86.2Confident53 Ų5378.9 Ų78.928%0.27745%0.447SS..  trans-110.4133.9176-59.7174.4000108.5A447 T457 Q458 L461A447-L453 HydrophobicContact CB-CD1 4.04Å; A447-L453 HydrophobicContact CB-CD2 4.29Å; L453-T457 HydrophobicContact CB-CG2 4.07Å; L453-T457 HydrophobicContact CD1-CG2 4.33Å; L453-T457 HydrophobicContact CD2-CG2 3.9Å; L453-T457 HydrophobicContact CG-CG2 4.32Å; L453-Q458 HydrophobicContact CB-CG 3.83Å; L453-Q458 PolarHBondContact O-NE2 3.17Å; L453-L461 HydrophobicContact CD1-CD1 3.58Å
454D89.4Confident86.3Confident92 Ų9277.3 Ų77.349%0.49244%0.438SS..  trans-64.3159.317370-79.5000111.4A456 T457 Q458D454-A456 VanDerWaalsContact C-N 3.26Å; D454-A456 PolarHBondContact O-N 2.89Å; D454-A456 WeakPolarHBondContact OD2-CB 3.48Å; D454-A456 PolarHBondContact OD2-N 3.3Å; D454-T457 PolarHBondContact O-N 3.08Å; D454-T457 VanDerWaalsContact O-N 3.16Å; D454-T457 WeakPolarHBondContact OD1-CB 3.34Å; D454-T457 PolarHBondContact OD1-OG1 2.7Å; D454-T457 PolarHBondContact OD2-N 2.85Å; D454-Q458 WeakPolarHBondContact O-CG 3.39Å; D454-Q458 PolarHBondContact O-N 3.26Å
455A89.1Confident86.6Confident77 Ų7778.4 Ų78.464%0.63644%0.442SS*.Hα-helixtrans-59.5-33.4-174.500000113.7Q458 Q459A455-Q458 PolarHBondContact O-N 3.45Å; A455-Q459 WeakPolarHBondContact O-CB 3.42Å; A455-Q459 PolarHBondContact O-N 3.43Å
456A89.8Confident87.1Confident66 Ų6677.3 Ų77.355%0.54543%0.427SS..Hα-helixtrans-71.1-42.1179.100000110.7D454 Q459 L460D454-A456 VanDerWaalsContact C-N 3.26Å; D454-A456 PolarHBondContact O-N 2.89Å; D454-A456 WeakPolarHBondContact OD2-CB 3.48Å; D454-A456 PolarHBondContact OD2-N 3.3Å; A456-Q459 PolarHBondContact O-N 2.87Å; A456-L460 WeakPolarHBondContact O-CB 3.43Å; A456-L460 PolarHBondContact O-N 2.76Å
457T89.4Confident87.6Confident32 Ų3269.8 Ų69.820%0.19639%0.394CS..Hα-helixtrans-61.2-43.5172.9-66.20000112V443 L453 D454 Q459 L460 L461V443-T457 HydrophobicContact CG1-CG2 3.55Å; L453-T457 HydrophobicContact CB-CG2 4.07Å; L453-T457 HydrophobicContact CD1-CG2 4.33Å; L453-T457 HydrophobicContact CD2-CG2 3.9Å; L453-T457 HydrophobicContact CG-CG2 4.32Å; D454-T457 PolarHBondContact O-N 3.08Å; D454-T457 VanDerWaalsContact O-N 3.16Å; D454-T457 WeakPolarHBondContact OD1-CB 3.34Å; D454-T457 PolarHBondContact OD1-OG1 2.7Å; D454-T457 PolarHBondContact OD2-N 2.85Å; T457-Q459 PolarHBondContact O-N 3.33Å; T457-L460 PolarHBondContact O-N 3.27Å; T457-L461 HydrophobicContact CG2-CD1 4.11Å; T457-L461 WeakPolarHBondContact O-CG 3.31Å; T457-L461 PolarHBondContact O-N 3.26Å
458Q88.4Confident88Confident110 Ų11070 Ų7051%0.51439%0.393SS..Hα-helixtrans-60.8-44.1175.6-69-178.510.900111.8L453 D454 A455 L461 S462L453-Q458 HydrophobicContact CB-CG 3.83Å; L453-Q458 PolarHBondContact O-NE2 3.17Å; D454-Q458 WeakPolarHBondContact O-CG 3.39Å; D454-Q458 PolarHBondContact O-N 3.26Å; A455-Q458 PolarHBondContact O-N 3.45Å; Q458-L461 PolarHBondContact O-N 3.49Å; Q458-S462 WeakPolarHBondContact O-CB 3.32Å; Q458-S462 PolarHBondContact O-N 2.75Å
459Q89.6Confident88.6Confident120 Ų12064.5 Ų64.556%0.56137%0.367SS*.Hα-helixtrans-64.2-42.1177.9-171.6177.42.300111.8A455 A456 T457 S462 R463A455-Q459 WeakPolarHBondContact O-CB 3.42Å; A455-Q459 PolarHBondContact O-N 3.43Å; A456-Q459 PolarHBondContact O-N 2.87Å; T457-Q459 PolarHBondContact O-N 3.33Å; Q459-S462 PolarHBondContact O-N 3.06Å; Q459-R463 WeakPolarHBondContact O-CB 3.45Å; Q459-R463 PolarHBondContact O-N 3.45Å
460L90.9Very high89.3Confident45 Ų4556 Ų5624%0.23633%0.33CS..Hα-helixtrans-59.9-47.8176.1-174.4100.6000111.5Q439 V443 A456 T457 R463 G464Q439-L460 HydrophobicContact CB-CD1 4.04Å; Q439-L460 HydrophobicContact CB-CD2 4.33Å; V443-L460 HydrophobicContact CB-CD2 3.7Å; V443-L460 HydrophobicContact CG1-CD2 4Å; V443-L460 HydrophobicContact CG2-CD2 3.58Å; A456-L460 WeakPolarHBondContact O-CB 3.43Å; A456-L460 PolarHBondContact O-N 2.76Å; T457-L460 PolarHBondContact O-N 3.27Å; L460-R463 PolarHBondContact O-N 3.18Å; L460-G464 PolarHBondContact O-N 2.72Å
461L91.9Very high90.3Very high27 Ų2754.9 Ų54.914%0.14131%0.314CS..Hα-helixtrans-62.8-46.7177.2-70.6172.6000111.8Y440 V443 A444 A447 L453 T457 Q458 R463 G464 V465Y440-L461 HydrophobicContact CD2-CD2 3.93Å; Y440-L461 HydrophobicContact CE2-CD2 3.92Å; V443-L461 HydrophobicContact CB-CD2 4.48Å; V443-L461 HydrophobicContact CG1-CD1 4.48Å; V443-L461 HydrophobicContact CG1-CD2 4.03Å; V443-L461 HydrophobicContact CG1-CG 4.16Å; A444-L461 HydrophobicContact CB-CD2 3.91Å; A447-L461 HydrophobicContact CB-CD1 3.67Å; A447-L461 HydrophobicContact CB-CD2 4.39Å; L453-L461 HydrophobicContact CD1-CD1 3.58Å; T457-L461 HydrophobicContact CG2-CD1 4.11Å; T457-L461 WeakPolarHBondContact O-CG 3.31Å; T457-L461 PolarHBondContact O-N 3.26Å; Q458-L461 PolarHBondContact O-N 3.49Å; L461-R463 VanDerWaalsContact C-N 3.35Å; L461-R463 PolarHBondContact O-N 3.07Å; L461-G464 PolarHBondContact O-N 3.31Å; L461-V465 WeakPolarHBondContact O-CG2 3.41Å; L461-V465 PolarHBondContact O-N 3.33Å
462S91.2Very high91.4Very high44 Ų4451.5 Ų51.531%0.30829%0.285SS..Hα-helixtrans-57.1-47.4178.7-171.40000111.1Q458 Q459 R466Q458-S462 WeakPolarHBondContact O-CB 3.32Å; Q458-S462 PolarHBondContact O-N 2.75Å; Q459-S462 PolarHBondContact O-N 3.06Å; S462-R466 VanDerWaalsContact C-NH1 3.3Å; S462-R466 PolarHBondContact O-N 3.35Å; S462-R466 PolarHBondContact O-NH1 2.87Å; S462-R466 PolarHBondContact OG-NH1 3.43Å
463R91.5Very high92Very high57 Ų5745.5 Ų45.522%0.21525%0.252CS..Hα-helixtrans-70.6-42.9178.8-169160.6171.1-135.5-10112.1E436 Q459 L460 L461 V465 R466 L467 V492E436-R463 VanDerWaalsContact CD-NH2 3.26Å; E436-R463 IonicContact OE1-CZ 2.73Å; E436-R463 IonicContact OE1-NH1 2.82Å; E436-R463 PolarHBondContact OE1-NH1 2.8Å; E436-R463 IonicContact OE1-NH2 3.47Å; E436-R463 PolarHBondContact OE1-NH2 3.45Å; E436-R463 IonicContact OE2-CZ 3.09Å; E436-R463 IonicContact OE2-NE 3.25Å; E436-R463 IonicContact OE2-NH1 3.04Å; E436-R463 IonicContact OE2-NH2 3.25Å; E436-R463 PolarHBondContact OE2-NH2 3.09Å; Q459-R463 WeakPolarHBondContact O-CB 3.45Å; Q459-R463 PolarHBondContact O-N 3.45Å; L460-R463 PolarHBondContact O-N 3.18Å; L461-R463 VanDerWaalsContact C-N 3.35Å; L461-R463 PolarHBondContact O-N 3.07Å; R463-V465 VanDerWaalsContact C-N 3.34Å; R463-V465 PolarHBondContact O-N 2.79Å; R463-R466 PolarHBondContact O-N 2.83Å; R463-R466 VanDerWaalsContact O-N 3.14Å; R463-L467 HydrophobicContact CG-CD1 4.18Å; R463-L467 HydrophobicContact CG-CG 4.35Å; R463-L467 WeakPolarHBondContact O-CG 3.4Å; R463-L467 PolarHBondContact O-N 2.85Å; R463-V492 PolarHBondContact NH2-O 3.33Å
464G93.2Very high92.4Very high3 Ų345.3 Ų45.33%0.03126%0.263CS..Hα-helixtrans-60-39.3178.900000113.8L460 L461 T468L460-G464 PolarHBondContact O-N 2.72Å; L461-G464 PolarHBondContact O-N 3.31Å; G464-T468 WeakPolarHBondContact O-CB 3.17Å; G464-T468 PolarHBondContact O-N 2.81Å; G464-T468 PolarHBondContact O-OG1 3.01Å
465V93.3Very high92.5Very high46 Ų4645.3 Ų45.328%0.27926%0.26SS..Hα-helixtrans-61.1-46.2173.7171.30000111Y440 L461 R463 T468 E469 P501Y440-V465 HydrophobicContact CE2-CG2 3.93Å; Y440-V465 WeakPolarHBondContact OH-CG2 3.42Å; L461-V465 WeakPolarHBondContact O-CG2 3.41Å; L461-V465 PolarHBondContact O-N 3.33Å; R463-V465 VanDerWaalsContact C-N 3.34Å; R463-V465 PolarHBondContact O-N 2.79Å; V465-T468 WeakPolarHBondContact O-CB 3.48Å; V465-T468 PolarHBondContact O-N 2.96Å; V465-E469 WeakPolarHBondContact O-CG 3.38Å; V465-E469 PolarHBondContact O-N 3.45Å; V465-P501 HydrophobicContact CG1-CB 3.78Å; V465-P501 HydrophobicContact CG1-CG 3.7Å
466R94.8Very high92.7Very high30 Ų3045.5 Ų45.511%0.11325%0.245CC..Hα-helixtrans-67.4-41.6-179.1-70170.2176.279.6-5.3112.7S462 R463 T468 E469 L470 L496 D497 L499 I504S462-R466 VanDerWaalsContact C-NH1 3.3Å; S462-R466 PolarHBondContact O-N 3.35Å; S462-R466 PolarHBondContact O-NH1 2.87Å; S462-R466 PolarHBondContact OG-NH1 3.43Å; R463-R466 PolarHBondContact O-N 2.83Å; R463-R466 VanDerWaalsContact O-N 3.14Å; R466-T468 VanDerWaalsContact C-N 3.28Å; R466-T468 PolarHBondContact O-N 2.89Å; R466-E469 PolarHBondContact O-N 2.94Å; R466-L470 VanDerWaalsContact O-CB 3.31Å; R466-L470 WeakPolarHBondContact O-CB 3.07Å; R466-L470 PolarHBondContact O-N 3.49Å; R466-L496 WeakPolarHBondContact CD-O 3.47Å; R466-L496 PolarHBondContact NE-O 3.45Å; R466-L496 VanDerWaalsContact NE-O 3.12Å; R466-D497 PolarHBondContact NE-O 3.05Å; R466-D497 PolarHBondContact NH2-O 3.47Å; R466-L499 PolarHBondContact NE-O 2.66Å; R466-L499 PolarHBondContact NH2-O 3.38Å; R466-I504 HydrophobicContact CB-CD1 4.36Å; R466-I504 HydrophobicContact CB-CG1 4.49Å; R466-I504 HydrophobicContact CG-CD1 4.18Å; R466-I504 HydrophobicContact CG-CG1 4.32Å
467L94.6Very high92.8Very high2 Ų246 Ų461%0.0125%0.245CC..Hα-helixtrans-63.3-37.3174.1-66.2178000111.2M433 L437 R463 L470 L471 V492M433-L467 HydrophobicContact CE-CB 4.33Å; M433-L467 HydrophobicContact CE-CD2 4.17Å; L437-L467 HydrophobicContact CD2-CB 3.81Å; L437-L467 HydrophobicContact CG-CB 4.45Å; R463-L467 HydrophobicContact CG-CD1 4.18Å; R463-L467 HydrophobicContact CG-CG 4.35Å; R463-L467 WeakPolarHBondContact O-CG 3.4Å; R463-L467 PolarHBondContact O-N 2.85Å; L467-L470 HydrophobicContact CD2-CD2 4.45Å; L467-L470 PolarHBondContact O-N 3.19Å; L467-L471 WeakPolarHBondContact O-CG 3.28Å; L467-L471 PolarHBondContact O-N 3.12Å; L467-L471 VanDerWaalsContact O-N 3.08Å; L467-V492 HydrophobicContact CD2-CG2 4.29Å
468T94.1Very high93.1Very high26 Ų2645.8 Ų45.816%0.1624%0.244CC..Hα-helixtrans-64.5-43.4175.2-59.40000111.6I404 G464 V465 R466 L471I404-T468 HydrophobicContact CD1-CG2 3.69Å; I404-T468 HydrophobicContact CG1-CG2 4.05Å; I404-T468 HydrophobicContact CG2-CG2 4.45Å; G464-T468 WeakPolarHBondContact O-CB 3.17Å; G464-T468 PolarHBondContact O-N 2.81Å; G464-T468 PolarHBondContact O-OG1 3.01Å; V465-T468 WeakPolarHBondContact O-CB 3.48Å; V465-T468 PolarHBondContact O-N 2.96Å; R466-T468 VanDerWaalsContact C-N 3.28Å; R466-T468 PolarHBondContact O-N 2.89Å; T468-L471 PolarHBondContact O-N 3.2Å
469E94.8Very high93.4Very high39 Ų3941.3 Ų41.318%0.18222%0.223CC..Hα-helixtrans-63.8-41.4174-71.2-59.6138.300112.1V465 R466 L471 K472 P501 I504V465-E469 WeakPolarHBondContact O-CG 3.38Å; V465-E469 PolarHBondContact O-N 3.45Å; R466-E469 PolarHBondContact O-N 2.94Å; E469-L471 PolarHBondContact O-N 3.3Å; E469-K472 WeakPolarHBondContact O-CB 3.46Å; E469-K472 PolarHBondContact O-N 3.25Å; E469-K472 VanDerWaalsContact O-N 3.13Å; E469-K472 VanDerWaalsContact OE1-CE 3.3Å; E469-K472 WeakPolarHBondContact OE1-CE 3.37Å; E469-K472 IonicContact OE1-NZ 3.57Å; E469-K472 PolarHBondContact OE1-NZ 3.02Å; E469-K472 WeakPolarHBondContact OE2-CD 3.48Å; E469-K472 WeakPolarHBondContact OE2-CE 3.42Å; E469-K472 IonicContact OE2-NZ 3.46Å; E469-K472 PolarHBondContact OE2-NZ 2.89Å; E469-P501 HydrophobicContact CG-CB 4.26Å; E469-I504 HydrophobicContact CB-CB 3.99Å; E469-I504 HydrophobicContact CB-CG1 4.34Å; E469-I504 HydrophobicContact CB-CG2 4.02Å
470L95.2Very high93.7Very high1 Ų135.6 Ų35.61%0.00520%0.197CC..Hα-helixtrans-63.1-28.7178.2-169.669.6000112.8K194 R466 L467 K472 V487 L496 I504K194-L470 WeakPolarHBondContact CE-O 3.34Å; K194-L470 PolarHBondContact NZ-O 3.29Å; R466-L470 VanDerWaalsContact O-CB 3.31Å; R466-L470 WeakPolarHBondContact O-CB 3.07Å; R466-L470 PolarHBondContact O-N 3.49Å; L467-L470 HydrophobicContact CD2-CD2 4.45Å; L467-L470 PolarHBondContact O-N 3.19Å; L470-K472 VanDerWaalsContact C-N 3.3Å; L470-V487 HydrophobicContact CD1-CG1 3.42Å; L470-V487 VanDerWaalsContact CD1-CG1 3.42Å; L470-V487 HydrophobicContact CD2-CG1 4.37Å; L470-V487 HydrophobicContact CG-CG1 3.89Å; L470-L496 HydrophobicContact CD1-CD1 3.9Å; L470-L496 HydrophobicContact CD2-CD1 4.27Å; L470-I504 HydrophobicContact CB-CG2 4.07Å; L470-I504 HydrophobicContact CD1-CG2 4.01Å
471L95.2Very high93.9Very high15 Ų1534.4 Ų34.48%0.07919%0.19CC..THydrogen-bonded Turntrans-81.2-8.3178.4-74.3-179.5000113.7K194 A195 L199 M433 L437 L467 T468 E469K194-L471 HydrophobicContact CB-CD2 4.17Å; A195-L471 HydrophobicContact CB-CB 4.39Å; A195-L471 HydrophobicContact CB-CD2 4.28Å; L199-L471 HydrophobicContact CD1-CD1 3.73Å; L199-L471 HydrophobicContact CG-CD1 4.45Å; M433-L471 HydrophobicContact CE-CD1 3.84Å; M433-L471 HydrophobicContact CE-CD2 3.6Å; M433-L471 HydrophobicContact CE-CG 3.65Å; M433-L471 HydrophobicContact SD-CD2 4.47Å; L437-L471 HydrophobicContact CD1-CD1 3.61Å; L467-L471 WeakPolarHBondContact O-CG 3.28Å; L467-L471 PolarHBondContact O-N 3.12Å; L467-L471 VanDerWaalsContact O-N 3.08Å; T468-L471 PolarHBondContact O-N 3.2Å; E469-L471 PolarHBondContact O-N 3.3Å
472K95.6Very high94Very high45 Ų4533.5 Ų33.520%0.19619%0.185CC..  trans-64.6140.2174.3-67-178.8-178.3171.80110.2K194 G403 R405 E469 L470K194-K472 WeakPolarHBondContact CE-O 3.47Å; K194-K472 PolarHBondContact NZ-O 2.87Å; G403-K472 VanDerWaalsContact O-CE 3.31Å; G403-K472 WeakPolarHBondContact O-CE 3.39Å; R405-K472 CarbonylContact O-C 3.34Å; R405-K472 VanDerWaalsContact O-CA 3.31Å; R405-K472 WeakPolarHBondContact O-CA 3.36Å; E469-K472 WeakPolarHBondContact O-CB 3.46Å; E469-K472 PolarHBondContact O-N 3.25Å; E469-K472 VanDerWaalsContact O-N 3.13Å; E469-K472 VanDerWaalsContact OE1-CE 3.3Å; E469-K472 WeakPolarHBondContact OE1-CE 3.37Å; E469-K472 IonicContact OE1-NZ 3.57Å; E469-K472 PolarHBondContact OE1-NZ 3.02Å; E469-K472 WeakPolarHBondContact OE2-CD 3.48Å; E469-K472 WeakPolarHBondContact OE2-CE 3.42Å; E469-K472 IonicContact OE2-NZ 3.46Å; E469-K472 PolarHBondContact OE2-NZ 2.89Å; L470-K472 VanDerWaalsContact C-N 3.3Å
473Q95.4Very high94.2Very high25 Ų2533.4 Ų33.412%0.11718%0.18CC..  trans-149.6136.6-179.9-167.6172.1-23.600109.9G192 R405 S477G192-Q473 PolarHBondContact O-NE2 3.45Å; R405-Q473 PolarHBondContact O-N 2.91Å; Q473-S477 PolarHBondContact NE2-O 2.96Å
474G93Very high94.4Very high50 Ų5030.7 Ų30.752%0.51517%0.17SC..  trans-66.7152.417400000111.8
475Q91.9Very high94.6Very high92 Ų9230.6 Ų30.643%0.4317%0.169SC..THydrogen-bonded Turntrans-69.5147.6174-62.4-179.50.600110.5S477Q475-S477 PolarHBondContact O-N 2.9Å
476Y92.7Very high94.7Very high80 Ų8028.5 Ų28.531%0.31416%0.156SC..THydrogen-bonded Turntrans62.620.2177.5-39.8-55.9000114.5I223 D224 I227 R262 P478I223-Y476 HydrophobicContact CB-CE1 4.22Å; I223-Y476 HydrophobicContact CD1-CE1 4.35Å; I223-Y476 HydrophobicContact CG2-CD1 3.91Å; I223-Y476 HydrophobicContact CG2-CE1 3.75Å; D224-Y476 VanDerWaalsContact CG-N 3.35Å; D224-Y476 WeakPolarHBondContact OD1-CA 3.23Å; D224-Y476 WeakPolarHBondContact OD1-CD1 3.34Å; D224-Y476 PolarHBondContact OD1-N 2.79Å; D224-Y476 PolarHBondContact OD2-N 2.94Å; I227-Y476 HydrophobicContact CD1-CD1 4.06Å; R262-Y476 PolarHBondContact NH1-OH 3.22Å; Y476-P478 WeakPolarHBondContact O-CD 3.5Å
477S92.9Very high94.7Very high77 Ų7727 Ų2754%0.53815%0.15SC..  trans-124.167.8176.4-166.30000110.5Q473 Q475Q473-S477 PolarHBondContact NE2-O 2.96Å; Q475-S477 PolarHBondContact O-N 2.9Å
478P95.6Very high94.7Very high27 Ų2727 Ų2718%0.17515%0.15CC..PPolyproline II helixtrans-70.6135.2179.329.1-33.7000111.5G192 I227 N228 R231 Y476G192-P478 WeakPolarHBondContact O-CA 3.2Å; I227-P478 HydrophobicContact CB-CG 4.32Å; I227-P478 HydrophobicContact CG2-CG 3.81Å; N228-P478 HydrophobicContact CB-CB 3.77Å; N228-P478 HydrophobicContact CB-CG 4.26Å; R231-P478 PolarHBondContact NH2-O 3.14Å; Y476-P478 WeakPolarHBondContact O-CD 3.5Å
479M95.2Very high94.8Very high16 Ų1625.8 Ų25.88%0.07914%0.143CC..PPolyproline II helixtrans-99.7143-174.5-173.8-178.3-64.700111.8G192 K194 E483 Q484 V487 E508 L512G192-M479 WeakPolarHBondContact CA-O 3.4Å; G192-M479 PolarHBondContact O-N 3.37Å; K194-M479 HydrophobicContact CD-CE 3.91Å; K194-M479 HydrophobicContact CD-SD 4.02Å; K194-M479 HydrophobicContact CG-CE 4.4Å; K194-M479 HydrophobicContact CG-SD 4.09Å; M479-E483 HydrophobicContact CG-CB 3.54Å; M479-E483 WeakPolarHBondContact CG-OE2 3.44Å; M479-E483 HydrophobicContact SD-CB 3.96Å; M479-Q484 HydrophobicContact CB-CG 3.81Å; M479-Q484 HydrophobicContact CG-CG 3.68Å; M479-Q484 PolarHBondContact O-NE2 3.34Å; M479-Q484 HydrophobicContact SD-CB 4.14Å; M479-Q484 HydrophobicContact SD-CG 3.59Å; M479-Q484 VanDerWaalsContact SD-CG 3.59Å; M479-Q484 PolarHBondContact SD-N 3.31Å; M479-V487 HydrophobicContact SD-CG2 4.42Å; M479-E508 WeakPolarHBondContact CE-OE1 3.38Å; M479-L512 HydrophobicContact CE-CD1 3.49Å; M479-L512 VanDerWaalsContact CE-CD1 3.49Å; M479-L512 HydrophobicContact SD-CD1 4.32Å
480A95.4Very high94.8Very high1 Ų124 Ų241%0.00813%0.134CC..PPolyproline II helixtrans-65150.4175.300000112.4E482 E483 Q484A480-E482 VanDerWaalsContact C-N 3.3Å; A480-E482 HydrophobicContact CB-CG 4.5Å; A480-E482 WeakPolarHBondContact CB-OE1 3.38Å; A480-E482 PolarHBondContact O-N 3.35Å; A480-E483 HydrophobicContact CB-CB 4.26Å; A480-E483 VanDerWaalsContact CB-CD 3.47Å; A480-E483 HydrophobicContact CB-CG 3.93Å; A480-E483 WeakPolarHBondContact CB-OE2 3.43Å; A480-E483 PolarHBondContact N-OE2 2.97Å; A480-E483 WeakPolarHBondContact O-CB 3.14Å; A480-E483 PolarHBondContact O-N 2.98Å; A480-E483 VanDerWaalsContact O-N 3.12Å; A480-Q484 WeakPolarHBondContact O-CG 3.36Å; A480-Q484 PolarHBondContact O-N 3.48Å
481I94.4Very high94.6Very high20 Ų2024 Ų2410%0.10314%0.135CC..Hα-helixtrans-60.3-40.7-176.4-170.463.8000112.2T423 M426 E483 Q484 V485T423-I481 HydrophobicContact CG2-CG1 4.26Å; M426-I481 HydrophobicContact CB-CD1 4.35Å; M426-I481 HydrophobicContact CE-CD1 3.49Å; M426-I481 VanDerWaalsContact CE-CD1 3.49Å; I481-E483 VanDerWaalsContact C-N 3.34Å; I481-E483 PolarHBondContact O-N 3.43Å; I481-Q484 PolarHBondContact O-N 3.15Å; I481-V485 WeakPolarHBondContact O-CB 3.32Å; I481-V485 VanDerWaalsContact O-CG2 3.24Å; I481-V485 WeakPolarHBondContact O-CG2 3.44Å; I481-V485 PolarHBondContact O-N 3.43Å
482E94.3Very high94.5Very high7 Ų724 Ų243%0.03314%0.135CC..Hα-helixtrans-68.8-31.8178.560.8-79.9-173.400113A480 A486 L523 I526 R527A480-E482 VanDerWaalsContact C-N 3.3Å; A480-E482 HydrophobicContact CB-CG 4.5Å; A480-E482 WeakPolarHBondContact CB-OE1 3.38Å; A480-E482 PolarHBondContact O-N 3.35Å; E482-A486 PolarHBondContact O-N 3.15Å; E482-A486 VanDerWaalsContact O-N 3.09Å; E482-L523 HydrophobicContact CB-CD2 4.14Å; E482-L523 HydrophobicContact CG-CB 3.92Å; E482-L523 HydrophobicContact CG-CD2 4.03Å; E482-L523 HydrophobicContact CG-CG 4.44Å; E482-I526 HydrophobicContact CB-CB 4.16Å; E482-I526 HydrophobicContact CB-CG2 3.88Å; E482-R527 IonicContact OE1-CZ 3.17Å; E482-R527 IonicContact OE1-NE 3.82Å; E482-R527 PolarHBondContact OE1-NE 2.85Å; E482-R527 IonicContact OE1-NH2 2.95Å; E482-R527 PolarHBondContact OE1-NH2 2.82Å; E482-R527 IonicContact OE2-NE 3.64Å
483E95.5Very high94.3Very high42 Ų4228.7 Ų28.720%0.19615%0.152CC..Hα-helixtrans-68.8-46172.5-67162.6-176.700110.1M479 A480 I481 V485 A486 V487 L512 I516 L523M479-E483 HydrophobicContact CG-CB 3.54Å; M479-E483 WeakPolarHBondContact CG-OE2 3.44Å; M479-E483 HydrophobicContact SD-CB 3.96Å; A480-E483 HydrophobicContact CB-CB 4.26Å; A480-E483 VanDerWaalsContact CB-CD 3.47Å; A480-E483 HydrophobicContact CB-CG 3.93Å; A480-E483 WeakPolarHBondContact CB-OE2 3.43Å; A480-E483 PolarHBondContact N-OE2 2.97Å; A480-E483 WeakPolarHBondContact O-CB 3.14Å; A480-E483 PolarHBondContact O-N 2.98Å; A480-E483 VanDerWaalsContact O-N 3.12Å; I481-E483 VanDerWaalsContact C-N 3.34Å; I481-E483 PolarHBondContact O-N 3.43Å; E483-V485 VanDerWaalsContact C-N 3.29Å; E483-V485 PolarHBondContact O-N 3.38Å; E483-A486 PolarHBondContact O-N 2.95Å; E483-V487 WeakPolarHBondContact O-CG2 3.37Å; E483-V487 PolarHBondContact O-N 2.99Å; E483-L512 HydrophobicContact CB-CD2 3.9Å; E483-L512 HydrophobicContact CG-CD2 4.39Å; E483-I516 HydrophobicContact CG-CD1 4.45Å; E483-L523 HydrophobicContact CG-CD1 4.36Å
484Q96.3Very high94.1Very high1 Ų128.4 Ų28.41%0.00516%0.156CC..Hα-helixtrans-58.7-43.4175.2-64.1-178.234.100111K194 D197 M426 M479 A480 I481 A486 V487 I488K194-Q484 HydrophobicContact CG-CB 4.31Å; K194-Q484 HydrophobicContact CG-CG 3.83Å; D197-Q484 PolarHBondContact OD2-NE2 2.9Å; D197-Q484 PolarHBondContact OD2-OE1 3.17Å; M426-Q484 HydrophobicContact CE-CB 3.8Å; M479-Q484 HydrophobicContact CB-CG 3.81Å; M479-Q484 HydrophobicContact CG-CG 3.68Å; M479-Q484 PolarHBondContact O-NE2 3.34Å; M479-Q484 HydrophobicContact SD-CB 4.14Å; M479-Q484 HydrophobicContact SD-CG 3.59Å; M479-Q484 VanDerWaalsContact SD-CG 3.59Å; M479-Q484 PolarHBondContact SD-N 3.31Å; A480-Q484 WeakPolarHBondContact O-CG 3.36Å; A480-Q484 PolarHBondContact O-N 3.48Å; I481-Q484 PolarHBondContact O-N 3.15Å; Q484-A486 PolarHBondContact O-N 3.38Å; Q484-V487 PolarHBondContact O-N 2.89Å; Q484-I488 HydrophobicContact CB-CD1 4.44Å; Q484-I488 WeakPolarHBondContact O-CB 3.32Å; Q484-I488 WeakPolarHBondContact O-CD1 3.47Å; Q484-I488 VanDerWaalsContact O-CG1 3.23Å; Q484-I488 WeakPolarHBondContact O-CG1 3.49Å; Q484-I488 PolarHBondContact O-N 3Å
485V95.9Very high94Very high1 Ų128.8 Ų28.81%0.00614%0.142CC..Hα-helixtrans-59.8-45177.3167.10000111.1A425 M426 V429 I481 E483 Y489 I526 I532A425-V485 HydrophobicContact CB-CG1 4.38Å; A425-V485 HydrophobicContact CB-CG2 4.14Å; M426-V485 HydrophobicContact CB-CG2 4.29Å; M426-V485 HydrophobicContact CE-CG2 3.88Å; M426-V485 HydrophobicContact SD-CG2 4.44Å; V429-V485 HydrophobicContact CG1-CG1 4.26Å; V429-V485 HydrophobicContact CG2-CG1 4.32Å; V429-V485 HydrophobicContact CG2-CG2 4.45Å; I481-V485 WeakPolarHBondContact O-CB 3.32Å; I481-V485 VanDerWaalsContact O-CG2 3.24Å; I481-V485 WeakPolarHBondContact O-CG2 3.44Å; I481-V485 PolarHBondContact O-N 3.43Å; E483-V485 VanDerWaalsContact C-N 3.29Å; E483-V485 PolarHBondContact O-N 3.38Å; V485-Y489 WeakPolarHBondContact O-CB 3.5Å; V485-Y489 PolarHBondContact O-N 3.18Å; V485-I526 HydrophobicContact CG1-CG2 4.45Å; V485-I532 HydrophobicContact CG1-CD1 3.68Å; V485-I532 HydrophobicContact CG1-CG1 4.18Å
486A95.4Very high94.1Very high1 Ų124.5 Ų24.51%0.00812%0.122CC..Hα-helixtrans-63.7-42.2178.800000112.4E482 E483 Q484 A490 F511 L540E482-A486 PolarHBondContact O-N 3.15Å; E482-A486 VanDerWaalsContact O-N 3.09Å; E483-A486 PolarHBondContact O-N 2.95Å; Q484-A486 PolarHBondContact O-N 3.38Å; A486-A490 PolarHBondContact O-N 2.81Å; A486-F511 HydrophobicContact CB-CE1 4.34Å; A486-L540 HydrophobicContact CB-CD2 4.29Å
487V95.7Very high94Very high0 Ų022.7 Ų22.70%012%0.118CC..Hα-helixtrans-67.2-48.4178.51730000111.2K194 L470 M479 E483 Q484 Y489 A490 G491 E508 L512K194-V487 HydrophobicContact CD-CG1 4.32Å; L470-V487 HydrophobicContact CD1-CG1 3.42Å; L470-V487 VanDerWaalsContact CD1-CG1 3.42Å; L470-V487 HydrophobicContact CD2-CG1 4.37Å; L470-V487 HydrophobicContact CG-CG1 3.89Å; M479-V487 HydrophobicContact SD-CG2 4.42Å; E483-V487 WeakPolarHBondContact O-CG2 3.37Å; E483-V487 PolarHBondContact O-N 2.99Å; Q484-V487 PolarHBondContact O-N 2.89Å; V487-Y489 VanDerWaalsContact C-N 3.31Å; V487-Y489 PolarHBondContact O-N 2.92Å; V487-A490 WeakPolarHBondContact O-CB 3.38Å; V487-A490 PolarHBondContact O-N 3.27Å; V487-G491 PolarHBondContact O-N 2.73Å; V487-E508 HydrophobicContact CG1-CG 3.92Å; V487-E508 HydrophobicContact CG2-CG 4.1Å; V487-L512 HydrophobicContact CG2-CD1 4.01Å; V487-L512 HydrophobicContact CG2-CD2 3.45Å; V487-L512 VanDerWaalsContact CG2-CD2 3.45Å; V487-L512 HydrophobicContact CG2-CG 3.68Å
488I95.4Very high93.8Very high0 Ų028.7 Ų28.70%013%0.134CC..Hα-helixtrans-65.4-37.7179.7-68166.9000110.6M426 V429 M433 Q484 A490 G491 V492M426-I488 HydrophobicContact CE-CD1 3.84Å; M426-I488 HydrophobicContact SD-CD1 3.76Å; V429-I488 HydrophobicContact CB-CG2 4.22Å; V429-I488 HydrophobicContact CG2-CB 4.31Å; V429-I488 HydrophobicContact CG2-CG2 3.89Å; M433-I488 HydrophobicContact SD-CG2 4.01Å; Q484-I488 HydrophobicContact CB-CD1 4.44Å; Q484-I488 WeakPolarHBondContact O-CB 3.32Å; Q484-I488 WeakPolarHBondContact O-CD1 3.47Å; Q484-I488 VanDerWaalsContact O-CG1 3.23Å; Q484-I488 WeakPolarHBondContact O-CG1 3.49Å; Q484-I488 PolarHBondContact O-N 3Å; I488-A490 VanDerWaalsContact C-N 3.29Å; I488-A490 PolarHBondContact O-N 3.34Å; I488-G491 PolarHBondContact O-N 3.3Å; I488-V492 HydrophobicContact CG2-CG2 3.76Å; I488-V492 WeakPolarHBondContact O-CB 3.25Å; I488-V492 WeakPolarHBondContact O-CG2 3.34Å; I488-V492 PolarHBondContact O-N 3.05Å
489Y95Very high93.6Very high2 Ų227.9 Ų27.91%0.00813%0.128CC..Hα-helixtrans-54.9-45.1173.9176.9-91.2000111.7V429 V485 V487 G491 R493 Y495 D537 L540 V544V429-Y489 HydrophobicContact CG1-CD2 4.01Å; V485-Y489 WeakPolarHBondContact O-CB 3.5Å; V485-Y489 PolarHBondContact O-N 3.18Å; V487-Y489 VanDerWaalsContact C-N 3.31Å; V487-Y489 PolarHBondContact O-N 2.92Å; Y489-G491 PolarHBondContact O-N 3.49Å; Y489-R493 HydrophobicContact CD2-CG 3.94Å; Y489-R493 HydrophobicContact CE1-CG 4.33Å; Y489-R493 HydrophobicContact CE2-CG 3.73Å; Y489-R493 HydrophobicContact CG-CG 4.32Å; Y489-R493 VanDerWaalsContact O-CB 3.31Å; Y489-R493 WeakPolarHBondContact O-CB 3.38Å; Y489-R493 VanDerWaalsContact O-CG 3.3Å; Y489-R493 WeakPolarHBondContact O-CG 3.46Å; Y489-R493 PolarHBondContact O-N 3.27Å; Y489-Y495 HydrophobicContact CD1-CE2 4.23Å; Y489-Y495 HydrophobicContact CE1-CD2 4.37Å; Y489-Y495 AromaticContact CE1-CE2 3.57Å; Y489-Y495 HydrophobicContact CE1-CE2 3.57Å; Y489-D537 WeakPolarHBondContact CE2-OD1 3.35Å; Y489-L540 HydrophobicContact CD1-CB 4.15Å; Y489-L540 HydrophobicContact CD2-CD1 4.5Å; Y489-L540 HydrophobicContact CE1-CB 3.82Å; Y489-L540 HydrophobicContact CG-CD1 4.41Å; Y489-V544 HydrophobicContact CD1-CG2 4.43Å
490A94.3Very high93.5Very high0 Ų032 Ų320%015%0.147CC..Hα-helixtrans-60.2-44.3179.300000112.3A486 V487 I488 Y495 L496 F507 V544A486-A490 PolarHBondContact O-N 2.81Å; V487-A490 WeakPolarHBondContact O-CB 3.38Å; V487-A490 PolarHBondContact O-N 3.27Å; I488-A490 VanDerWaalsContact C-N 3.29Å; I488-A490 PolarHBondContact O-N 3.34Å; A490-Y495 WeakPolarHBondContact O-CB 3.43Å; A490-Y495 PolarHBondContact O-N 3.15Å; A490-L496 HydrophobicContact CB-CD1 4.39Å; A490-L496 HydrophobicContact CB-CD2 4.22Å; A490-L496 HydrophobicContact CB-CG 4.31Å; A490-F507 HydrophobicContact CB-CE1 4.31Å; A490-F507 HydrophobicContact CB-CZ 4.4Å; A490-V544 HydrophobicContact CB-CG1 4.25Å; A490-V544 HydrophobicContact CB-CG2 4.32Å
491G92.6Very high93.3Very high3 Ų334.1 Ų34.13%0.03116%0.162CC..Hα-helixtrans-71.1-50.5178.900000113.7V487 I488 Y489 R493 G494V487-G491 PolarHBondContact O-N 2.73Å; I488-G491 PolarHBondContact O-N 3.3Å; Y489-G491 PolarHBondContact O-N 3.49Å; G491-R493 VanDerWaalsContact C-N 3.33Å; G491-R493 PolarHBondContact O-N 3.2Å; G491-G494 PolarHBondContact O-N 2.95Å; G491-G494 VanDerWaalsContact O-N 3.15Å
492V92.2Very high93.2Very high13 Ų1337.2 Ų37.28%0.07919%0.185CC..Hα-helixtrans-70.5-29.4-174.1178.40000111.7V429 M433 R463 L467 I488 G494V429-V492 WeakPolarHBondContact O-CG1 3.33Å; M433-V492 HydrophobicContact CB-CG2 4.09Å; M433-V492 HydrophobicContact CG-CG2 4.08Å; M433-V492 HydrophobicContact SD-CG2 4.19Å; R463-V492 PolarHBondContact NH2-O 3.33Å; L467-V492 HydrophobicContact CD2-CG2 4.29Å; I488-V492 HydrophobicContact CG2-CG2 3.76Å; I488-V492 WeakPolarHBondContact O-CB 3.25Å; I488-V492 WeakPolarHBondContact O-CG2 3.34Å; I488-V492 PolarHBondContact O-N 3.05Å; V492-G494 PolarHBondContact O-N 2.92Å
493R91.6Very high93.2Very high144 Ų14439.3 Ų39.354%0.54319%0.194SC..THydrogen-bonded Turntrans-81.22.5175.4-64.1-68.5-158.9175.19.1113.9Y489 G491 Y495 D537Y489-R493 HydrophobicContact CD2-CG 3.94Å; Y489-R493 HydrophobicContact CE1-CG 4.33Å; Y489-R493 HydrophobicContact CE2-CG 3.73Å; Y489-R493 HydrophobicContact CG-CG 4.32Å; Y489-R493 VanDerWaalsContact O-CB 3.31Å; Y489-R493 WeakPolarHBondContact O-CB 3.38Å; Y489-R493 VanDerWaalsContact O-CG 3.3Å; Y489-R493 WeakPolarHBondContact O-CG 3.46Å; Y489-R493 PolarHBondContact O-N 3.27Å; G491-R493 VanDerWaalsContact C-N 3.33Å; G491-R493 PolarHBondContact O-N 3.2Å; R493-Y495 HydrophobicContact CB-CD2 3.56Å; R493-Y495 HydrophobicContact CB-CE2 3.22Å; R493-Y495 HydrophobicContact CG-CE2 3.94Å; R493-D537 IonicContact NH2-OD1 2.66Å; R493-D537 PolarHBondContact NH2-OD1 3.49Å; R493-D537 VanDerWaalsContact NH2-OD1 3.09Å
494G90.2Very high93.1Very high20 Ų2037.3 Ų37.321%0.20619%0.185CC..THydrogen-bonded Turntrans79.911175.300000114.8G491 V492 L496 D497G491-G494 PolarHBondContact O-N 2.95Å; G491-G494 VanDerWaalsContact O-N 3.15Å; V492-G494 PolarHBondContact O-N 2.92Å; G494-L496 PolarHBondContact O-N 3.44Å; G494-D497 WeakPolarHBondContact CA-OD2 3.13Å; G494-D497 WeakPolarHBondContact O-CB 3.48Å; G494-D497 PolarHBondContact O-N 2.98Å
495Y92.6Very high92.9Very high57 Ų5740 Ų4022%0.22420%0.201CC..THydrogen-bonded Turntrans-66-25178.7-60.4-68.7000112.4Y489 A490 R493 K541 V544 L548Y489-Y495 HydrophobicContact CD1-CE2 4.23Å; Y489-Y495 HydrophobicContact CE1-CD2 4.37Å; Y489-Y495 AromaticContact CE1-CE2 3.57Å; Y489-Y495 HydrophobicContact CE1-CE2 3.57Å; A490-Y495 WeakPolarHBondContact O-CB 3.43Å; A490-Y495 PolarHBondContact O-N 3.15Å; R493-Y495 HydrophobicContact CB-CD2 3.56Å; R493-Y495 HydrophobicContact CB-CE2 3.22Å; R493-Y495 HydrophobicContact CG-CE2 3.94Å; Y495-K541 HydrophobicContact CE1-CG 4.41Å; Y495-K541 WeakPolarHBondContact OH-CG 3.47Å; Y495-V544 HydrophobicContact CD1-CG1 4.28Å; Y495-V544 HydrophobicContact CD2-CG1 3.84Å; Y495-V544 HydrophobicContact CG-CG1 3.66Å; Y495-L548 WeakPolarHBondContact O-CD1 3.28Å
496L92.6Very high92.8Very high2 Ų246.9 Ų46.91%0.0123%0.231CC..THydrogen-bonded Turntrans-87.9-4.7179.8-50.7-176.3000113.5R466 L470 A490 G494 K498 L499 I504 F507 L548R466-L496 WeakPolarHBondContact CD-O 3.47Å; R466-L496 PolarHBondContact NE-O 3.45Å; R466-L496 VanDerWaalsContact NE-O 3.12Å; L470-L496 HydrophobicContact CD1-CD1 3.9Å; L470-L496 HydrophobicContact CD2-CD1 4.27Å; A490-L496 HydrophobicContact CB-CD1 4.39Å; A490-L496 HydrophobicContact CB-CD2 4.22Å; A490-L496 HydrophobicContact CB-CG 4.31Å; G494-L496 PolarHBondContact O-N 3.44Å; L496-K498 PolarHBondContact O-N 3.34Å; L496-K498 VanDerWaalsContact O-N 3.07Å; L496-L499 HydrophobicContact CD2-CD1 3.89Å; L496-L499 WeakPolarHBondContact O-CB 3.29Å; L496-L499 PolarHBondContact O-N 2.99Å; L496-I504 HydrophobicContact CB-CD1 3.94Å; L496-I504 HydrophobicContact CD1-CD1 4.24Å; L496-F507 HydrophobicContact CD1-CD1 4.32Å; L496-F507 HydrophobicContact CD1-CE1 4.17Å; L496-F507 HydrophobicContact CD2-CD1 3.71Å; L496-F507 HydrophobicContact CD2-CD2 4.39Å; L496-F507 HydrophobicContact CD2-CE1 3.33Å; L496-F507 HydrophobicContact CD2-CE2 4.04Å; L496-F507 HydrophobicContact CD2-CG 4.24Å; L496-F507 HydrophobicContact CD2-CZ 3.51Å; L496-F507 HydrophobicContact CG-CE1 4.38Å; L496-L548 HydrophobicContact CD2-CD2 4.41Å
497D90.4Very high92.7Very high42 Ų4246.9 Ų46.923%0.22523%0.231CC..THydrogen-bonded Turntrans-61.4-24.2-171.3-71.6-6.2000113.5R466 G494R466-D497 PolarHBondContact NE-O 3.05Å; R466-D497 PolarHBondContact NH2-O 3.47Å; G494-D497 WeakPolarHBondContact CA-OD2 3.13Å; G494-D497 WeakPolarHBondContact O-CB 3.48Å; G494-D497 PolarHBondContact O-N 2.98Å
498K89.3Confident92.7Very high203 Ų20347.3 Ų47.388%0.88323%0.233SC*.THydrogen-bonded Turntrans-88.6-15.1177.4-61.9-173.5-176.2-178.70114.2L496L496-K498 PolarHBondContact O-N 3.34Å; L496-K498 VanDerWaalsContact O-N 3.07Å
499L91.6Very high92.6Very high10 Ų1051.8 Ų51.85%0.05226%0.256CS..SBendtrans-77.7149.9-179.9-68.9179.1000111.1R466 L496 I504 F507 L548 F551 P553R466-L499 PolarHBondContact NE-O 2.66Å; R466-L499 PolarHBondContact NH2-O 3.38Å; L496-L499 HydrophobicContact CD2-CD1 3.89Å; L496-L499 WeakPolarHBondContact O-CB 3.29Å; L496-L499 PolarHBondContact O-N 2.99Å; L499-I504 HydrophobicContact CB-CD1 3.95Å; L499-I504 HydrophobicContact CD1-CD1 4.21Å; L499-F507 HydrophobicContact CD1-CB 4.14Å; L499-F507 HydrophobicContact CD1-CD2 3.98Å; L499-F507 HydrophobicContact CD1-CG 3.99Å; L499-L548 HydrophobicContact CD1-CD2 3.77Å; L499-L548 HydrophobicContact CD2-CD2 4.38Å; L499-L548 HydrophobicContact CG-CD2 4.25Å; L499-F551 HydrophobicContact CD2-CD1 4.25Å; L499-F551 HydrophobicContact CD2-CE1 4.49Å; L499-P553 HydrophobicContact CD2-CB 3.92Å
500E92.3Very high92.6Very high102 Ų10253.5 Ų53.548%0.47727%0.271SS..  trans-70.1140.4170.7-66.2-176.5158.800111.1S502 K503E500-S502 PolarHBondContact O-N 2.89Å; E500-S502 VanDerWaalsContact O-N 3.14Å; E500-K503 HydrophobicContact CB-CD 4.3Å; E500-K503 PolarHBondContact O-N 3.38Å; E500-K503 WeakPolarHBondContact OE2-CE 3.29Å; E500-K503 IonicContact OE2-NZ 2.65Å; E500-K503 PolarHBondContact OE2-NZ 2.95Å
501P91.8Very high92.6Very high47 Ų4753.5 Ų53.531%0.30527%0.271SS..G310 helixtrans-52.6-37.8-179.8-30.636.7000114.7V465 E469 K503 I504V465-P501 HydrophobicContact CG1-CB 3.78Å; V465-P501 HydrophobicContact CG1-CG 3.7Å; E469-P501 HydrophobicContact CG-CB 4.26Å; P501-K503 PolarHBondContact O-N 3.32Å; P501-I504 WeakPolarHBondContact O-CG1 3.43Å; P501-I504 PolarHBondContact O-N 3.35Å
502S92.4Very high92.7Very high84 Ų8454.2 Ų54.259%0.58727%0.274SS*.G310 helixtrans-64.6-19.6-179.659.20000113.9E500E500-S502 PolarHBondContact O-N 2.89Å; E500-S502 VanDerWaalsContact O-N 3.14Å
503K93.3Very high92.8Very high52 Ų5257.3 Ų57.323%0.22630%0.296CS..G310 helixtrans-101-7.7-176.6-66.2169.5-168.9166.20113E500 P501 T505 K506 F507 P553E500-K503 HydrophobicContact CB-CD 4.3Å; E500-K503 PolarHBondContact O-N 3.38Å; E500-K503 WeakPolarHBondContact OE2-CE 3.29Å; E500-K503 IonicContact OE2-NZ 2.65Å; E500-K503 PolarHBondContact OE2-NZ 2.95Å; P501-K503 PolarHBondContact O-N 3.32Å; K503-T505 VanDerWaalsContact C-N 3.33Å; K503-T505 PolarHBondContact O-N 3.09Å; K503-K506 WeakPolarHBondContact O-CB 3.38Å; K503-K506 PolarHBondContact O-N 2.98Å; K503-K506 VanDerWaalsContact O-N 3.08Å; K503-F507 WeakPolarHBondContact O-CB 3.48Å; K503-F507 PolarHBondContact O-N 3.04Å; K503-P553 WeakPolarHBondContact CD-OXT 3.32Å; K503-P553 WeakPolarHBondContact CE-O 3.48Å; K503-P553 VanDerWaalsContact CE-OXT 3.3Å; K503-P553 WeakPolarHBondContact CE-OXT 3.29Å; K503-P553 PolarHBondContact NZ-O 3.15Å; K503-P553 PolarHBondContact NZ-OXT 2.72Å
504I94.3Very high92.9Very high0 Ų052.4 Ų52.40%028%0.279CS..Hα-helixtrans-57.6-43.9178.9-62.3-63.1000111.8R466 E469 L470 L496 L499 P501 K506 F507 E508R466-I504 HydrophobicContact CB-CD1 4.36Å; R466-I504 HydrophobicContact CB-CG1 4.49Å; R466-I504 HydrophobicContact CG-CD1 4.18Å; R466-I504 HydrophobicContact CG-CG1 4.32Å; E469-I504 HydrophobicContact CB-CB 3.99Å; E469-I504 HydrophobicContact CB-CG1 4.34Å; E469-I504 HydrophobicContact CB-CG2 4.02Å; L470-I504 HydrophobicContact CB-CG2 4.07Å; L470-I504 HydrophobicContact CD1-CG2 4.01Å; L496-I504 HydrophobicContact CB-CD1 3.94Å; L496-I504 HydrophobicContact CD1-CD1 4.24Å; L499-I504 HydrophobicContact CB-CD1 3.95Å; L499-I504 HydrophobicContact CD1-CD1 4.21Å; P501-I504 WeakPolarHBondContact O-CG1 3.43Å; P501-I504 PolarHBondContact O-N 3.35Å; I504-K506 VanDerWaalsContact C-N 3.33Å; I504-K506 PolarHBondContact O-N 3.3Å; I504-F507 WeakPolarHBondContact O-CB 3.27Å; I504-F507 PolarHBondContact O-N 2.85Å; I504-E508 WeakPolarHBondContact O-CB 3.41Å; I504-E508 PolarHBondContact O-N 3.27Å
505T92Very high93.1Very high57 Ų5751.6 Ų51.635%0.3527%0.27SS..Hα-helixtrans-66.2-35.2177.9-50.60000112.4K503 N509K503-T505 VanDerWaalsContact C-N 3.33Å; K503-T505 PolarHBondContact O-N 3.09Å; T505-N509 PolarHBondContact O-N 3.41Å; T505-N509 PolarHBondContact O-ND2 3.47Å
506K93Very high93.1Very high146 Ų14652.3 Ų52.364%0.63528%0.278SS*.Hα-helixtrans-69.7-44.6175.8-67.1-177.2179.6179.20111K503 I504 E508 N509 A510 F551K503-K506 WeakPolarHBondContact O-CB 3.38Å; K503-K506 PolarHBondContact O-N 2.98Å; K503-K506 VanDerWaalsContact O-N 3.08Å; I504-K506 VanDerWaalsContact C-N 3.33Å; I504-K506 PolarHBondContact O-N 3.3Å; K506-E508 VanDerWaalsContact C-N 3.33Å; K506-E508 PolarHBondContact O-N 3.3Å; K506-N509 PolarHBondContact O-N 3.01Å; K506-A510 WeakPolarHBondContact O-CB 3.49Å; K506-A510 PolarHBondContact O-N 3.3Å; K506-F551 HydrophobicContact CB-CZ 4.42Å
507F95.2Very high93.1Very high0 Ų056.3 Ų56.30%031%0.306CS..Hα-helixtrans-54.6-50.6173.5165.9-91.5000110.4A490 L496 L499 K503 I504 N509 A510 F511 F547 L548 F551A490-F507 HydrophobicContact CB-CE1 4.31Å; A490-F507 HydrophobicContact CB-CZ 4.4Å; L496-F507 HydrophobicContact CD1-CD1 4.32Å; L496-F507 HydrophobicContact CD1-CE1 4.17Å; L496-F507 HydrophobicContact CD2-CD1 3.71Å; L496-F507 HydrophobicContact CD2-CD2 4.39Å; L496-F507 HydrophobicContact CD2-CE1 3.33Å; L496-F507 HydrophobicContact CD2-CE2 4.04Å; L496-F507 HydrophobicContact CD2-CG 4.24Å; L496-F507 HydrophobicContact CD2-CZ 3.51Å; L496-F507 HydrophobicContact CG-CE1 4.38Å; L499-F507 HydrophobicContact CD1-CB 4.14Å; L499-F507 HydrophobicContact CD1-CD2 3.98Å; L499-F507 HydrophobicContact CD1-CG 3.99Å; K503-F507 WeakPolarHBondContact O-CB 3.48Å; K503-F507 PolarHBondContact O-N 3.04Å; I504-F507 WeakPolarHBondContact O-CB 3.27Å; I504-F507 PolarHBondContact O-N 2.85Å; F507-N509 PolarHBondContact O-N 2.84Å; F507-A510 PolarHBondContact O-N 2.81Å; F507-F511 HydrophobicContact CD1-CB 4.49Å; F507-F511 HydrophobicContact CE1-CB 4.06Å; F507-F511 HydrophobicContact CE1-CD1 4.34Å; F507-F511 HydrophobicContact CE1-CG 4.19Å; F507-F511 HydrophobicContact CE2-CB 4.16Å; F507-F511 HydrophobicContact CE2-CD2 4.45Å; F507-F511 HydrophobicContact CE2-CG 4.39Å; F507-F511 HydrophobicContact CZ-CB 3.88Å; F507-F511 HydrophobicContact CZ-CD1 4.26Å; F507-F511 HydrophobicContact CZ-CD2 4.08Å; F507-F511 AromaticContact CZ-CG 3.81Å; F507-F511 HydrophobicContact CZ-CG 3.81Å; F507-F511 WeakPolarHBondContact O-CB 3.32Å; F507-F511 PolarHBondContact O-N 2.85Å; F507-F547 HydrophobicContact CD2-CD1 4.15Å; F507-F547 AromaticContact CD2-CE1 3.85Å; F507-F547 HydrophobicContact CD2-CE1 3.85Å; F507-F547 AromaticContact CE2-CD1 3.65Å; F507-F547 HydrophobicContact CE2-CD1 3.65Å; F507-F547 AromaticContact CE2-CE1 3.8Å; F507-F547 HydrophobicContact CE2-CE1 3.8Å; F507-L548 HydrophobicContact CD2-CD2 3.75Å; F507-L548 HydrophobicContact CE2-CD2 3.38Å; F507-L548 HydrophobicContact CE2-CG 3.92Å; F507-L548 HydrophobicContact CZ-CD2 4.26Å; F507-F551 VanDerWaalsContact CA-CZ 3.44Å; F507-F551 HydrophobicContact CB-CE1 3.82Å; F507-F551 HydrophobicContact CB-CE2 4.42Å; F507-F551 HydrophobicContact CB-CZ 3.76Å; F507-F551 HydrophobicContact CD2-CD1 4.2Å; F507-F551 HydrophobicContact CD2-CE1 4.32Å; F507-F551 HydrophobicContact CD2-CG 4.37Å
508E94.3Very high93.3Very high10 Ų1060.5 Ų60.55%0.04732%0.324CS..Hα-helixtrans-56.3-50.8-178.3-179.2-172.3158.300111.8K194 M479 V487 I504 K506 A510 F511 L512K194-E508 IonicContact NZ-OE1 3.5Å; K194-E508 PolarHBondContact NZ-OE1 3.41Å; K194-E508 IonicContact NZ-OE2 3.63Å; K194-E508 PolarHBondContact NZ-OE2 2.64Å; M479-E508 WeakPolarHBondContact CE-OE1 3.38Å; V487-E508 HydrophobicContact CG1-CG 3.92Å; V487-E508 HydrophobicContact CG2-CG 4.1Å; I504-E508 WeakPolarHBondContact O-CB 3.41Å; I504-E508 PolarHBondContact O-N 3.27Å; K506-E508 VanDerWaalsContact C-N 3.33Å; K506-E508 PolarHBondContact O-N 3.3Å; E508-A510 VanDerWaalsContact C-N 3.35Å; E508-A510 PolarHBondContact O-N 2.84Å; E508-F511 PolarHBondContact O-N 2.83Å; E508-L512 HydrophobicContact CG-CD1 3.84Å; E508-L512 HydrophobicContact CG-CG 4.39Å; E508-L512 VanDerWaalsContact O-CB 3.28Å; E508-L512 WeakPolarHBondContact O-CB 3.35Å; E508-L512 VanDerWaalsContact O-CG 3.28Å; E508-L512 WeakPolarHBondContact O-CG 3.4Å; E508-L512 PolarHBondContact O-N 3.05Å
509N93.7Very high93.5Very high93 Ų9353.3 Ų53.350%0.49729%0.293SS..Hα-helixtrans-62.8-42-178.6-69.3-30.3000112.1T505 K506 F507 S513T505-N509 PolarHBondContact O-N 3.41Å; T505-N509 PolarHBondContact O-ND2 3.47Å; K506-N509 PolarHBondContact O-N 3.01Å; F507-N509 PolarHBondContact O-N 2.84Å; N509-S513 WeakPolarHBondContact O-CB 3.34Å; N509-S513 PolarHBondContact O-N 2.81Å; N509-S513 VanDerWaalsContact O-N 3.11Å; N509-S513 PolarHBondContact O-OG 3.45Å
510A94.8Very high93.5Very high38 Ų3859.6 Ų59.631%0.31432%0.322SS..Hα-helixtrans-70.6-43.2179.500000111.7K506 F507 E508 S513 H514 F547 F551K506-A510 WeakPolarHBondContact O-CB 3.49Å; K506-A510 PolarHBondContact O-N 3.3Å; F507-A510 PolarHBondContact O-N 2.81Å; E508-A510 VanDerWaalsContact C-N 3.35Å; E508-A510 PolarHBondContact O-N 2.84Å; A510-S513 PolarHBondContact O-N 2.69Å; A510-H514 WeakPolarHBondContact O-CB 3.43Å; A510-H514 PolarHBondContact O-N 2.98Å; A510-F547 HydrophobicContact CB-CZ 3.77Å; A510-F551 HydrophobicContact CB-CE2 4.09Å
511F94.9Very high93.5Very high0 Ų059.1 Ų59.10%033%0.33CS..Hα-helixtrans-63.3-46.7177.5179.1-110.8000111.2A486 F507 E508 S513 H514 V515 I543 V544 F547A486-F511 HydrophobicContact CB-CE1 4.34Å; F507-F511 HydrophobicContact CD1-CB 4.49Å; F507-F511 HydrophobicContact CE1-CB 4.06Å; F507-F511 HydrophobicContact CE1-CD1 4.34Å; F507-F511 HydrophobicContact CE1-CG 4.19Å; F507-F511 HydrophobicContact CE2-CB 4.16Å; F507-F511 HydrophobicContact CE2-CD2 4.45Å; F507-F511 HydrophobicContact CE2-CG 4.39Å; F507-F511 HydrophobicContact CZ-CB 3.88Å; F507-F511 HydrophobicContact CZ-CD1 4.26Å; F507-F511 HydrophobicContact CZ-CD2 4.08Å; F507-F511 AromaticContact CZ-CG 3.81Å; F507-F511 HydrophobicContact CZ-CG 3.81Å; F507-F511 WeakPolarHBondContact O-CB 3.32Å; F507-F511 PolarHBondContact O-N 2.85Å; E508-F511 PolarHBondContact O-N 2.83Å; F511-S513 VanDerWaalsContact C-N 3.35Å; F511-S513 PolarHBondContact O-N 3Å; F511-H514 WeakPolarHBondContact O-CB 3.34Å; F511-H514 PolarHBondContact O-N 3.2Å; F511-V515 HydrophobicContact CD1-CG2 4.27Å; F511-V515 HydrophobicContact CD2-CG2 4.09Å; F511-V515 HydrophobicContact CE1-CG2 3.87Å; F511-V515 HydrophobicContact CE2-CG2 3.67Å; F511-V515 HydrophobicContact CG-CG2 4.37Å; F511-V515 HydrophobicContact CZ-CG2 3.54Å; F511-V515 VanDerWaalsContact O-CG2 3.31Å; F511-V515 WeakPolarHBondContact O-CG2 2.92Å; F511-V515 PolarHBondContact O-N 2.89Å; F511-I543 HydrophobicContact CE2-CG2 4.1Å; F511-V544 HydrophobicContact CE1-CG2 4.42Å; F511-V544 HydrophobicContact CE2-CG2 3.81Å; F511-V544 HydrophobicContact CZ-CG2 3.49Å; F511-V544 VanDerWaalsContact CZ-CG2 3.49Å; F511-F547 HydrophobicContact CB-CD1 4.22Å; F511-F547 HydrophobicContact CB-CE1 3.85Å; F511-F547 HydrophobicContact CB-CZ 4.2Å; F511-F547 HydrophobicContact CD2-CB 4.24Å; F511-F547 AromaticContact CD2-CD1 3.81Å; F511-F547 HydrophobicContact CD2-CD1 3.81Å; F511-F547 HydrophobicContact CD2-CD2 4.48Å; F511-F547 HydrophobicContact CD2-CE1 4.28Å; F511-F547 AromaticContact CD2-CG 3.91Å; F511-F547 HydrophobicContact CD2-CG 3.91Å; F511-F547 HydrophobicContact CG-CD1 4.49Å
512L93.9Very high93.5Very high19 Ų1957.2 Ų57.210%0.09932%0.318CS..Hα-helixtrans-58.8-46.4175.1-78.4172.9000111.6M479 E483 V487 E508 H514 V515 I516M479-L512 HydrophobicContact CE-CD1 3.49Å; M479-L512 VanDerWaalsContact CE-CD1 3.49Å; M479-L512 HydrophobicContact SD-CD1 4.32Å; E483-L512 HydrophobicContact CB-CD2 3.9Å; E483-L512 HydrophobicContact CG-CD2 4.39Å; V487-L512 HydrophobicContact CG2-CD1 4.01Å; V487-L512 HydrophobicContact CG2-CD2 3.45Å; V487-L512 VanDerWaalsContact CG2-CD2 3.45Å; V487-L512 HydrophobicContact CG2-CG 3.68Å; E508-L512 HydrophobicContact CG-CD1 3.84Å; E508-L512 HydrophobicContact CG-CG 4.39Å; E508-L512 VanDerWaalsContact O-CB 3.28Å; E508-L512 WeakPolarHBondContact O-CB 3.35Å; E508-L512 VanDerWaalsContact O-CG 3.28Å; E508-L512 WeakPolarHBondContact O-CG 3.4Å; E508-L512 PolarHBondContact O-N 3.05Å; L512-H514 VanDerWaalsContact C-N 3.27Å; L512-H514 PolarHBondContact O-N 3.28Å; L512-V515 PolarHBondContact O-N 2.78Å; L512-I516 WeakPolarHBondContact O-CB 3.04Å; L512-I516 WeakPolarHBondContact O-CD1 3.44Å; L512-I516 WeakPolarHBondContact O-CG1 3.31Å; L512-I516 PolarHBondContact O-N 2.85Å
513S94.1Very high93.5Very high77 Ų7753.8 Ų53.854%0.53829%0.292SS..Hα-helixtrans-59.5-40.1177.9-59.20000111.8N509 A510 F511 S517N509-S513 WeakPolarHBondContact O-CB 3.34Å; N509-S513 PolarHBondContact O-N 2.81Å; N509-S513 VanDerWaalsContact O-N 3.11Å; N509-S513 PolarHBondContact O-OG 3.45Å; A510-S513 PolarHBondContact O-N 2.69Å; F511-S513 VanDerWaalsContact C-N 3.35Å; F511-S513 PolarHBondContact O-N 3Å; S513-S517 WeakPolarHBondContact O-CB 3.49Å; S513-S517 PolarHBondContact O-N 2.84Å; S513-S517 VanDerWaalsContact O-N 3.12Å; S513-S517 PolarHBondContact O-OG 2.71Å
514H94.3Very high93.4Very high41 Ų4153 Ų5319%0.1930%0.299CS..Hα-helixtrans-67.1-47.8176.2177.374.2000112.4A510 F511 L512 I516 S517 Q518 H519 F547A510-H514 WeakPolarHBondContact O-CB 3.43Å; A510-H514 PolarHBondContact O-N 2.98Å; F511-H514 WeakPolarHBondContact O-CB 3.34Å; F511-H514 PolarHBondContact O-N 3.2Å; L512-H514 VanDerWaalsContact C-N 3.27Å; L512-H514 PolarHBondContact O-N 3.28Å; H514-I516 PolarHBondContact O-N 3.39Å; H514-S517 PolarHBondContact O-N 2.89Å; H514-S517 PolarHBondContact O-OG 3.48Å; H514-Q518 VanDerWaalsContact CE1-CD 3.43Å; H514-Q518 PolarHBondContact CE1-OE1 2.94Å; H514-Q518 PolarHBondContact ND1-OE1 2.92Å; H514-Q518 WeakPolarHBondContact O-CB 3.48Å; H514-Q518 PolarHBondContact O-N 2.83Å; H514-H519 AromaticContact NE2-CD2 3.89Å; H514-H519 AromaticContact NE2-NE2 3.59Å; H514-F547 HydrophobicContact CB-CD2 3.96Å; H514-F547 HydrophobicContact CB-CE2 3.71Å; H514-F547 AromaticContact CD2-CD2 3.61Å; H514-F547 AromaticContact CG-CD2 3.73Å; H514-F547 AromaticContact CG-CE2 3.96Å
515V93.6Very high93.3Very high3 Ų356.7 Ų56.72%0.01832%0.319CS..Hα-helixtrans-65.3-40.5-179.7176.90000111.4F511 L512 H519 Q520 L523 I543F511-V515 HydrophobicContact CD1-CG2 4.27Å; F511-V515 HydrophobicContact CD2-CG2 4.09Å; F511-V515 HydrophobicContact CE1-CG2 3.87Å; F511-V515 HydrophobicContact CE2-CG2 3.67Å; F511-V515 HydrophobicContact CG-CG2 4.37Å; F511-V515 HydrophobicContact CZ-CG2 3.54Å; F511-V515 VanDerWaalsContact O-CG2 3.31Å; F511-V515 WeakPolarHBondContact O-CG2 2.92Å; F511-V515 PolarHBondContact O-N 2.89Å; L512-V515 PolarHBondContact O-N 2.78Å; V515-H519 HydrophobicContact CG1-CB 4.31Å; V515-H519 CarbonylContact O-C 3.6Å; V515-H519 VanDerWaalsContact O-CA 3.29Å; V515-H519 WeakPolarHBondContact O-CA 3.47Å; V515-H519 WeakPolarHBondContact O-CB 3.3Å; V515-H519 PolarHBondContact O-N 2.98Å; V515-Q520 PolarHBondContact O-N 3.36Å; V515-L523 HydrophobicContact CG1-CD1 3.97Å; V515-L523 HydrophobicContact CG1-CD2 3.86Å; V515-L523 HydrophobicContact CG1-CG 3.87Å; V515-I543 HydrophobicContact CG2-CG2 4.25Å
516I93Very high93.3Very high73 Ų7354.2 Ų54.237%0.37430%0.303SS..Hα-helixtrans-66.2-41.4178.3-68.3166.7000111E483 L512 H514 L523E483-I516 HydrophobicContact CG-CD1 4.45Å; L512-I516 WeakPolarHBondContact O-CB 3.04Å; L512-I516 WeakPolarHBondContact O-CD1 3.44Å; L512-I516 WeakPolarHBondContact O-CG1 3.31Å; L512-I516 PolarHBondContact O-N 2.85Å; H514-I516 PolarHBondContact O-N 3.39Å; I516-L523 HydrophobicContact CG1-CD1 4.14Å
517S93.7Very high93.1Very high86 Ų8655.1 Ų55.160%0.60130%0.303SS*.Hα-helixtrans-79.4-39.6-176.556.40000114S513 H514S513-S517 WeakPolarHBondContact O-CB 3.49Å; S513-S517 PolarHBondContact O-N 2.84Å; S513-S517 VanDerWaalsContact O-N 3.12Å; S513-S517 PolarHBondContact O-OG 2.71Å; H514-S517 PolarHBondContact O-N 2.89Å; H514-S517 PolarHBondContact O-OG 3.48Å
518Q93.4Very high92.8Very high130 Ų13059.1 Ų59.161%0.60734%0.336SS*.Hα-helixtrans-106.9-21.2-171-58.7-172.212.300113.7H514H514-Q518 VanDerWaalsContact CE1-CD 3.43Å; H514-Q518 PolarHBondContact CE1-OE1 2.94Å; H514-Q518 PolarHBondContact ND1-OE1 2.92Å; H514-Q518 WeakPolarHBondContact O-CB 3.48Å; H514-Q518 PolarHBondContact O-N 2.83Å
519H93.1Very high92.5Very high51 Ų5163 Ų6324%0.23636%0.357CS..  trans-128.131.9-170.9-59-64.1000113.3H514 V515 S521 L522 L523 I543H514-H519 AromaticContact NE2-CD2 3.89Å; H514-H519 AromaticContact NE2-NE2 3.59Å; V515-H519 HydrophobicContact CG1-CB 4.31Å; V515-H519 CarbonylContact O-C 3.6Å; V515-H519 VanDerWaalsContact O-CA 3.29Å; V515-H519 WeakPolarHBondContact O-CA 3.47Å; V515-H519 WeakPolarHBondContact O-CB 3.3Å; V515-H519 PolarHBondContact O-N 2.98Å; H519-S521 PolarHBondContact O-N 2.96Å; H519-L522 HydrophobicContact CB-CB 4.49Å; H519-L522 WeakPolarHBondContact O-CB 3.39Å; H519-L522 PolarHBondContact O-N 3.47Å; H519-L523 PolarHBondContact O-N 2.95Å; H519-I543 HydrophobicContact CB-CD1 4.12Å
520Q92.5Very high92.2Very high143 Ų14359.7 Ų59.767%0.66835%0.345SS*.Hα-helixtrans-58.5-31.1-179.7-162.8174.919.200113.4V515 L522 L523 G524V515-Q520 PolarHBondContact O-N 3.36Å; Q520-L522 VanDerWaalsContact C-N 3.31Å; Q520-L522 PolarHBondContact O-N 2.84Å; Q520-L523 PolarHBondContact O-N 3.14Å; Q520-G524 PolarHBondContact O-N 2.75Å
521S92.4Very high92.1Very high91 Ų9162.7 Ų62.764%0.63635%0.351SS*.Hα-helixtrans-62.3-36.8175.7580000112.6H519 G524 N525H519-S521 PolarHBondContact O-N 2.96Å; S521-G524 PolarHBondContact O-N 2.98Å; S521-N525 PolarHBondContact O-N 2.92Å; S521-N525 PolarHBondContact O-ND2 2.84Å; S521-N525 PolarHBondContact O-OD1 3.37Å
522L92Very high91.9Very high8 Ų863.3 Ų63.34%0.04235%0.354CS..Hα-helixtrans-68.1-44.5176.8179.362.7000111.4H519 Q520 G524 N525 I526 K539 L540 I543H519-L522 HydrophobicContact CB-CB 4.49Å; H519-L522 WeakPolarHBondContact O-CB 3.39Å; H519-L522 PolarHBondContact O-N 3.47Å; Q520-L522 VanDerWaalsContact C-N 3.31Å; Q520-L522 PolarHBondContact O-N 2.84Å; L522-G524 VanDerWaalsContact C-N 3.31Å; L522-G524 PolarHBondContact O-N 2.8Å; L522-N525 PolarHBondContact O-N 3.26Å; L522-I526 HydrophobicContact CG-CD1 4.29Å; L522-I526 WeakPolarHBondContact O-CG1 3.41Å; L522-I526 PolarHBondContact O-N 3.03Å; L522-K539 HydrophobicContact CD1-CB 4.37Å; L522-K539 HydrophobicContact CD2-CB 4.42Å; L522-L540 HydrophobicContact CD2-CD2 3.67Å; L522-L540 HydrophobicContact CD2-CG 3.93Å; L522-L540 HydrophobicContact CG-CD2 4.48Å; L522-I543 HydrophobicContact CD2-CD1 3.51Å
523L91.9Very high91.9Very high11 Ų1163.9 Ų63.96%0.05836%0.36CS..Hα-helixtrans-60.6-41.8174.5-67.8-176000111.4E482 E483 V515 I516 H519 Q520 N525 I526 R527E482-L523 HydrophobicContact CB-CD2 4.14Å; E482-L523 HydrophobicContact CG-CB 3.92Å; E482-L523 HydrophobicContact CG-CD2 4.03Å; E482-L523 HydrophobicContact CG-CG 4.44Å; E483-L523 HydrophobicContact CG-CD1 4.36Å; V515-L523 HydrophobicContact CG1-CD1 3.97Å; V515-L523 HydrophobicContact CG1-CD2 3.86Å; V515-L523 HydrophobicContact CG1-CG 3.87Å; I516-L523 HydrophobicContact CG1-CD1 4.14Å; H519-L523 PolarHBondContact O-N 2.95Å; Q520-L523 PolarHBondContact O-N 3.14Å; L523-N525 PolarHBondContact O-N 2.82Å; L523-I526 PolarHBondContact O-N 3.43Å; L523-R527 WeakPolarHBondContact O-CB 3.42Å; L523-R527 PolarHBondContact O-N 3.42Å
524G91.4Very high91.8Very high35 Ų3568.7 Ų68.736%0.36137%0.374SS..Hα-helixtrans-58.9-44.5174.200000112.9Q520 S521 L522 R527 A528Q520-G524 PolarHBondContact O-N 2.75Å; S521-G524 PolarHBondContact O-N 2.98Å; L522-G524 VanDerWaalsContact C-N 3.31Å; L522-G524 PolarHBondContact O-N 2.8Å; G524-R527 PolarHBondContact O-N 3.11Å; G524-A528 WeakPolarHBondContact O-CB 3.35Å; G524-A528 PolarHBondContact O-N 2.89Å
525N91.8Very high91.7Very high78 Ų7873.8 Ų73.842%0.41740%0.397SS..Hα-helixtrans-63.9-44.8177-67.3-13.5000111.8S521 L522 L523 R527 A528 D529S521-N525 PolarHBondContact O-N 2.92Å; S521-N525 PolarHBondContact O-ND2 2.84Å; S521-N525 PolarHBondContact O-OD1 3.37Å; L522-N525 PolarHBondContact O-N 3.26Å; L523-N525 PolarHBondContact O-N 2.82Å; N525-R527 VanDerWaalsContact C-N 3.29Å; N525-R527 PolarHBondContact O-N 2.92Å; N525-A528 PolarHBondContact O-N 3.41Å; N525-D529 VanDerWaalsContact O-CB 3.3Å; N525-D529 WeakPolarHBondContact O-CB 3.28Å; N525-D529 PolarHBondContact O-N 3.25Å
526I91.5Very high91.6Very high5 Ų573.9 Ų73.93%0.02640%0.398CS..Hα-helixtrans-61-41.3177.1-66.5167.7000110.7A425 E482 V485 L522 L523 G530 L540A425-I526 HydrophobicContact CB-CG2 4.14Å; E482-I526 HydrophobicContact CB-CB 4.16Å; E482-I526 HydrophobicContact CB-CG2 3.88Å; V485-I526 HydrophobicContact CG1-CG2 4.45Å; L522-I526 HydrophobicContact CG-CD1 4.29Å; L522-I526 WeakPolarHBondContact O-CG1 3.41Å; L522-I526 PolarHBondContact O-N 3.03Å; L523-I526 PolarHBondContact O-N 3.43Å; I526-G530 WeakPolarHBondContact O-CA 3.38Å; I526-G530 PolarHBondContact O-N 2.75Å; I526-L540 HydrophobicContact CD1-CD1 4.13Å
527R89.9Confident91.6Very high166 Ų16672.6 Ų72.663%0.62639%0.392SS*.Hα-helixtrans-65.3-42.7177.9-171.3-168-74.5-179.7-1.9112E482 L523 G524 N525E482-R527 IonicContact OE1-CZ 3.17Å; E482-R527 IonicContact OE1-NE 3.82Å; E482-R527 PolarHBondContact OE1-NE 2.85Å; E482-R527 IonicContact OE1-NH2 2.95Å; E482-R527 PolarHBondContact OE1-NH2 2.82Å; E482-R527 IonicContact OE2-NE 3.64Å; L523-R527 WeakPolarHBondContact O-CB 3.42Å; L523-R527 PolarHBondContact O-N 3.42Å; G524-R527 PolarHBondContact O-N 3.11Å; N525-R527 VanDerWaalsContact C-N 3.29Å; N525-R527 PolarHBondContact O-N 2.92Å
528A88.6Confident91.7Very high84 Ų8471.3 Ų71.369%0.69439%0.386SS*.Hα-helixtrans-74.5-47.3-177.600000112.5G524 N525 G530G524-A528 WeakPolarHBondContact O-CB 3.35Å; G524-A528 PolarHBondContact O-N 2.89Å; N525-A528 PolarHBondContact O-N 3.41Å; A528-G530 VanDerWaalsContact C-N 3.32Å
529D87.6Confident91.7Very high91 Ų9170.4 Ų70.449%0.48738%0.38SS..Hα-helixtrans-75-26.3-177.5-68.4-13.5000112.1N525 K531N525-D529 VanDerWaalsContact O-CB 3.3Å; N525-D529 WeakPolarHBondContact O-CB 3.28Å; N525-D529 PolarHBondContact O-N 3.25Å; D529-K531 HydrophobicContact CB-CG 4.11Å; D529-K531 PolarHBondContact O-N 3.26Å; D529-K531 VanDerWaalsContact O-N 3.09Å
530G87.8Confident91.7Very high24 Ų2468 Ų6825%0.24737%0.369CS..SBendtrans65.47.2-176.100000114.2R424 A425 I526 A528R424-G530 CarbonylContact C-O 3.57Å; R424-G530 WeakPolarHBondContact CA-O 3.42Å; R424-G530 WeakPolarHBondContact CB-O 3.49Å; R424-G530 PolarHBondContact N-O 3.08Å; A425-G530 PolarHBondContact N-O 2.84Å; I526-G530 WeakPolarHBondContact O-CA 3.38Å; I526-G530 PolarHBondContact O-N 2.75Å; A528-G530 VanDerWaalsContact C-N 3.32Å
531K92.2Very high91.8Very high100 Ų10066.5 Ų66.544%0.43536%0.361SS..SBendtrans-137.6155.9178.867.1178-177.8177.40110.2R424 D529 S533R424-K531 HydrophobicContact CB-CB 4.13Å; D529-K531 HydrophobicContact CB-CG 4.11Å; D529-K531 PolarHBondContact O-N 3.26Å; D529-K531 VanDerWaalsContact O-N 3.09Å; K531-S533 PolarHBondContact O-N 3.13Å
532I91.9Very high91.9Very high14 Ų1467.8 Ų67.87%0.07236%0.357CS..  trans-86.2110.3167.3-55.4177.9000107.1A425 Q428 V429 V485 D537 L540A425-I532 HydrophobicContact CB-CG1 4.04Å; Q428-I532 PolarHBondContact NE2-O 3.07Å; V429-I532 HydrophobicContact CG1-CD1 3.35Å; V485-I532 HydrophobicContact CG1-CD1 3.68Å; V485-I532 HydrophobicContact CG1-CG1 4.18Å; I532-D537 HydrophobicContact CG2-CB 3.82Å; I532-L540 HydrophobicContact CG2-CD1 4.42Å
533S92.9Very high92Very high31 Ų3168.1 Ų68.122%0.21736%0.358CS..  trans-74162170.975.50000110.7K531 Q535 S536 D537K531-S533 PolarHBondContact O-N 3.13Å; S533-Q535 PolarHBondContact O-N 2.73Å; S533-S536 WeakPolarHBondContact O-CB 3.48Å; S533-S536 PolarHBondContact O-N 3.45Å; S533-S536 PolarHBondContact OG-N 2.91Å; S533-S536 VanDerWaalsContact OG-N 3.08Å; S533-S536 PolarHBondContact OG-OG 3.37Å; S533-D537 PolarHBondContact O-N 3.07Å
534E92.2Very high92.2Very high178 Ų17867.6 Ų67.683%0.83236%0.355SS*.Hα-helixtrans-57.7-36.7175.4-67.4178-179.300112.2D537 A538E534-D537 PolarHBondContact O-N 3.48Å; E534-A538 WeakPolarHBondContact O-CB 3.17Å; E534-A538 PolarHBondContact O-N 3.47Å
535Q91.7Very high92.3Very high147 Ų14769 Ų6969%0.68736%0.358SS*.Hα-helixtrans-66.3-40.7175.4-62.9-1798.200111.8S533 K539S533-Q535 PolarHBondContact O-N 2.73Å; Q535-K539 WeakPolarHBondContact O-CB 3.37Å; Q535-K539 VanDerWaalsContact O-CG 3.32Å; Q535-K539 WeakPolarHBondContact O-CG 3.5Å; Q535-K539 PolarHBondContact O-N 2.88Å; Q535-K539 VanDerWaalsContact O-N 3.11Å
536S92Very high92.3Very high5 Ų570 Ų704%0.03536%0.363CS..Hα-helixtrans-67.8-39.1176.4-57.10000111.7S533 K539 L540S533-S536 WeakPolarHBondContact O-CB 3.48Å; S533-S536 PolarHBondContact O-N 3.45Å; S533-S536 PolarHBondContact OG-N 2.91Å; S533-S536 VanDerWaalsContact OG-N 3.08Å; S533-S536 PolarHBondContact OG-OG 3.37Å; S536-K539 PolarHBondContact O-N 3.47Å; S536-L540 WeakPolarHBondContact O-CB 3.43Å; S536-L540 VanDerWaalsContact O-CG 3.3Å; S536-L540 WeakPolarHBondContact O-CG 3.28Å; S536-L540 PolarHBondContact O-N 2.77Å
537D93.5Very high92.4Very high47 Ų4771.4 Ų71.425%0.25137%0.369SS..Hα-helixtrans-63.9-48177-173.291000111Y489 R493 I532 S533 E534 K539 L540 K541Y489-D537 WeakPolarHBondContact CE2-OD1 3.35Å; R493-D537 IonicContact NH2-OD1 2.66Å; R493-D537 PolarHBondContact NH2-OD1 3.49Å; R493-D537 VanDerWaalsContact NH2-OD1 3.09Å; I532-D537 HydrophobicContact CG2-CB 3.82Å; S533-D537 PolarHBondContact O-N 3.07Å; E534-D537 PolarHBondContact O-N 3.48Å; D537-K539 PolarHBondContact O-N 3.21Å; D537-L540 PolarHBondContact O-N 3.35Å; D537-K541 WeakPolarHBondContact O-CB 3.47Å; D537-K541 PolarHBondContact O-N 3.42Å
538A94.5Very high92.5Very high58 Ų5865.3 Ų65.348%0.47935%0.348SS..Hα-helixtrans-59.5-45176.500000112.2E534 K541 E542E534-A538 WeakPolarHBondContact O-CB 3.17Å; E534-A538 PolarHBondContact O-N 3.47Å; A538-K541 PolarHBondContact O-N 3.25Å; A538-E542 PolarHBondContact O-N 2.76Å
539K93.9Very high92.5Very high111 Ų11165.6 Ų65.648%0.48335%0.351SS..Hα-helixtrans-65.5-43.5176.3-73.5179.7-178.7-177.30112.4L522 Q535 S536 D537 K541 E542 I543L522-K539 HydrophobicContact CD1-CB 4.37Å; L522-K539 HydrophobicContact CD2-CB 4.42Å; Q535-K539 WeakPolarHBondContact O-CB 3.37Å; Q535-K539 VanDerWaalsContact O-CG 3.32Å; Q535-K539 WeakPolarHBondContact O-CG 3.5Å; Q535-K539 PolarHBondContact O-N 2.88Å; Q535-K539 VanDerWaalsContact O-N 3.11Å; S536-K539 PolarHBondContact O-N 3.47Å; D537-K539 PolarHBondContact O-N 3.21Å; K539-K541 VanDerWaalsContact C-N 3.31Å; K539-K541 PolarHBondContact O-N 2.77Å; K539-E542 PolarHBondContact O-N 2.98Å; K539-I543 WeakPolarHBondContact O-CD1 3.35Å; K539-I543 WeakPolarHBondContact O-CG1 3.26Å; K539-I543 PolarHBondContact O-N 3.05Å
540L93.7Very high92.5Very high1 Ų164.6 Ų64.61%0.00536%0.362CS..Hα-helixtrans-59.8-43.9176.1-80.8172.4000111.1A486 Y489 L522 I526 I532 S536 D537 I543 V544A486-L540 HydrophobicContact CB-CD2 4.29Å; Y489-L540 HydrophobicContact CD1-CB 4.15Å; Y489-L540 HydrophobicContact CD2-CD1 4.5Å; Y489-L540 HydrophobicContact CE1-CB 3.82Å; Y489-L540 HydrophobicContact CG-CD1 4.41Å; L522-L540 HydrophobicContact CD2-CD2 3.67Å; L522-L540 HydrophobicContact CD2-CG 3.93Å; L522-L540 HydrophobicContact CG-CD2 4.48Å; I526-L540 HydrophobicContact CD1-CD1 4.13Å; I532-L540 HydrophobicContact CG2-CD1 4.42Å; S536-L540 WeakPolarHBondContact O-CB 3.43Å; S536-L540 VanDerWaalsContact O-CG 3.3Å; S536-L540 WeakPolarHBondContact O-CG 3.28Å; S536-L540 PolarHBondContact O-N 2.77Å; D537-L540 PolarHBondContact O-N 3.35Å; L540-I543 PolarHBondContact O-N 3.46Å; L540-V544 WeakPolarHBondContact O-CB 3.36Å; L540-V544 WeakPolarHBondContact O-CG2 3.49Å; L540-V544 PolarHBondContact O-N 2.92Å
541K95Very high92.4Very high112 Ų11265.2 Ų65.249%0.48736%0.358SS..Hα-helixtrans-58.8-47.3175.7174.7172.9179.2-175.30111.9Y495 D537 A538 K539 T545Y495-K541 HydrophobicContact CE1-CG 4.41Å; Y495-K541 WeakPolarHBondContact OH-CG 3.47Å; D537-K541 WeakPolarHBondContact O-CB 3.47Å; D537-K541 PolarHBondContact O-N 3.42Å; A538-K541 PolarHBondContact O-N 3.25Å; K539-K541 VanDerWaalsContact C-N 3.31Å; K539-K541 PolarHBondContact O-N 2.77Å; K541-T545 WeakPolarHBondContact O-CB 3.36Å; K541-T545 PolarHBondContact O-N 3.38Å; K541-T545 PolarHBondContact O-OG1 2.8Å
542E94.9Very high91.5Very high118 Ų11868.8 Ų68.855%0.55138%0.376SS*.Hα-helixtrans-59.7-50177.8-177-178.7177.800111.3A538 K539 V544 T545 N546A538-E542 PolarHBondContact O-N 2.76Å; K539-E542 PolarHBondContact O-N 2.98Å; E542-V544 PolarHBondContact O-N 3.17Å; E542-T545 PolarHBondContact O-N 2.89Å; E542-N546 WeakPolarHBondContact O-CB 3.46Å; E542-N546 VanDerWaalsContact O-CG 3.25Å; E542-N546 PolarHBondContact O-N 3.36Å; E542-N546 PolarHBondContact O-ND2 3.28Å
543I94.2Very high89.8Confident14 Ų1472.7 Ų72.77%0.07240%0.402CS..Hα-helixtrans-61.1-47.7-178.8-65.8162.4000111F511 V515 H519 L522 K539 L540 T545 N546 F547F511-I543 HydrophobicContact CE2-CG2 4.1Å; V515-I543 HydrophobicContact CG2-CG2 4.25Å; H519-I543 HydrophobicContact CB-CD1 4.12Å; L522-I543 HydrophobicContact CD2-CD1 3.51Å; K539-I543 WeakPolarHBondContact O-CD1 3.35Å; K539-I543 WeakPolarHBondContact O-CG1 3.26Å; K539-I543 PolarHBondContact O-N 3.05Å; L540-I543 PolarHBondContact O-N 3.46Å; I543-T545 VanDerWaalsContact C-N 3.33Å; I543-T545 PolarHBondContact O-N 3.06Å; I543-N546 PolarHBondContact O-N 2.96Å; I543-F547 WeakPolarHBondContact O-CB 3.39Å; I543-F547 PolarHBondContact O-N 3.47Å
544V94.3Very high89.7Confident0 Ų074.8 Ų74.80%041%0.412CS..Hα-helixtrans-61.6-43.4179.3172.90000110.9Y489 A490 Y495 F511 L540 E542 L548Y489-V544 HydrophobicContact CD1-CG2 4.43Å; A490-V544 HydrophobicContact CB-CG1 4.25Å; A490-V544 HydrophobicContact CB-CG2 4.32Å; Y495-V544 HydrophobicContact CD1-CG1 4.28Å; Y495-V544 HydrophobicContact CD2-CG1 3.84Å; Y495-V544 HydrophobicContact CG-CG1 3.66Å; F511-V544 HydrophobicContact CE1-CG2 4.42Å; F511-V544 HydrophobicContact CE2-CG2 3.81Å; F511-V544 HydrophobicContact CZ-CG2 3.49Å; F511-V544 VanDerWaalsContact CZ-CG2 3.49Å; L540-V544 WeakPolarHBondContact O-CB 3.36Å; L540-V544 WeakPolarHBondContact O-CG2 3.49Å; L540-V544 PolarHBondContact O-N 2.92Å; E542-V544 PolarHBondContact O-N 3.17Å; V544-L548 HydrophobicContact CG1-CD1 3.81Å; V544-L548 HydrophobicContact CG1-CG 4.46Å; V544-L548 WeakPolarHBondContact O-CB 3.19Å; V544-L548 VanDerWaalsContact O-CG 3.25Å; V544-L548 WeakPolarHBondContact O-CG 3.14Å; V544-L548 PolarHBondContact O-N 3.2Å
545T93.4Very high89.6Confident66 Ų6669.3 Ų69.341%0.40539%0.389SS..Hα-helixtrans-68.5-44.7-177.9-51.30000111.6K541 E542 I543 L548 A549K541-T545 WeakPolarHBondContact O-CB 3.36Å; K541-T545 PolarHBondContact O-N 3.38Å; K541-T545 PolarHBondContact O-OG1 2.8Å; E542-T545 PolarHBondContact O-N 2.89Å; I543-T545 VanDerWaalsContact C-N 3.33Å; I543-T545 PolarHBondContact O-N 3.06Å; T545-L548 PolarHBondContact O-N 3.39Å; T545-A549 PolarHBondContact O-N 3.28Å
546N93.3Very high89.4Confident99 Ų9965 Ų6553%0.52937%0.373SS..Hα-helixtrans-65.7-40.9178.6-70.2-13.4000111.5E542 I543 A549 G550E542-N546 WeakPolarHBondContact O-CB 3.46Å; E542-N546 VanDerWaalsContact O-CG 3.25Å; E542-N546 PolarHBondContact O-N 3.36Å; E542-N546 PolarHBondContact O-ND2 3.28Å; I543-N546 PolarHBondContact O-N 2.96Å; N546-A549 PolarHBondContact O-N 3.24Å; N546-G550 PolarHBondContact O-N 2.89Å
547F93.4Very high89.3Confident33 Ų3368.5 Ų68.515%0.14539%0.393CS..Hα-helixtrans-64.1-44.6176.5-174.8-91.6000111.4F507 A510 F511 H514 I543 A549 G550 F551F507-F547 HydrophobicContact CD2-CD1 4.15Å; F507-F547 AromaticContact CD2-CE1 3.85Å; F507-F547 HydrophobicContact CD2-CE1 3.85Å; F507-F547 AromaticContact CE2-CD1 3.65Å; F507-F547 HydrophobicContact CE2-CD1 3.65Å; F507-F547 AromaticContact CE2-CE1 3.8Å; F507-F547 HydrophobicContact CE2-CE1 3.8Å; A510-F547 HydrophobicContact CB-CZ 3.77Å; F511-F547 HydrophobicContact CB-CD1 4.22Å; F511-F547 HydrophobicContact CB-CE1 3.85Å; F511-F547 HydrophobicContact CB-CZ 4.2Å; F511-F547 HydrophobicContact CD2-CB 4.24Å; F511-F547 AromaticContact CD2-CD1 3.81Å; F511-F547 HydrophobicContact CD2-CD1 3.81Å; F511-F547 HydrophobicContact CD2-CD2 4.48Å; F511-F547 HydrophobicContact CD2-CE1 4.28Å; F511-F547 AromaticContact CD2-CG 3.91Å; F511-F547 HydrophobicContact CD2-CG 3.91Å; F511-F547 HydrophobicContact CG-CD1 4.49Å; H514-F547 HydrophobicContact CB-CD2 3.96Å; H514-F547 HydrophobicContact CB-CE2 3.71Å; H514-F547 AromaticContact CD2-CD2 3.61Å; H514-F547 AromaticContact CG-CD2 3.73Å; H514-F547 AromaticContact CG-CE2 3.96Å; I543-F547 WeakPolarHBondContact O-CB 3.39Å; I543-F547 PolarHBondContact O-N 3.47Å; F547-A549 VanDerWaalsContact C-N 3.29Å; F547-A549 PolarHBondContact O-N 3.08Å; F547-G550 PolarHBondContact O-N 2.94Å; F547-F551 HydrophobicContact CD1-CB 4.35Å; F547-F551 HydrophobicContact CE1-CB 4.17Å; F547-F551 AromaticContact CE1-CD2 3.73Å; F547-F551 HydrophobicContact CE1-CD2 3.73Å; F547-F551 HydrophobicContact CE1-CE2 4.45Å; F547-F551 HydrophobicContact CE1-CG 4.13Å; F547-F551 HydrophobicContact CZ-CD2 4.01Å; F547-F551 WeakPolarHBondContact O-CB 3.44Å; F547-F551 PolarHBondContact O-N 3.01Å
548L91.3Very high89Confident38 Ų3869.9 Ų69.920%0.19940%0.402CS..Hα-helixtrans-64.3-30.5177.2-76.2170.8000113.3Y495 L496 L499 F507 V544 T545 G550 F551Y495-L548 WeakPolarHBondContact O-CD1 3.28Å; L496-L548 HydrophobicContact CD2-CD2 4.41Å; L499-L548 HydrophobicContact CD1-CD2 3.77Å; L499-L548 HydrophobicContact CD2-CD2 4.38Å; L499-L548 HydrophobicContact CG-CD2 4.25Å; F507-L548 HydrophobicContact CD2-CD2 3.75Å; F507-L548 HydrophobicContact CE2-CD2 3.38Å; F507-L548 HydrophobicContact CE2-CG 3.92Å; F507-L548 HydrophobicContact CZ-CD2 4.26Å; V544-L548 HydrophobicContact CG1-CD1 3.81Å; V544-L548 HydrophobicContact CG1-CG 4.46Å; V544-L548 WeakPolarHBondContact O-CB 3.19Å; V544-L548 VanDerWaalsContact O-CG 3.25Å; V544-L548 WeakPolarHBondContact O-CG 3.14Å; V544-L548 PolarHBondContact O-N 3.2Å; T545-L548 PolarHBondContact O-N 3.39Å; L548-G550 VanDerWaalsContact C-N 3.29Å; L548-G550 PolarHBondContact O-N 2.8Å; L548-F551 PolarHBondContact O-N 3.03Å
549A89.6Confident88.7Confident91 Ų9170.7 Ų70.775%0.75240%0.396SS*.Hα-helixtrans-67-30.7176.200000112.8T545 N546 F547T545-A549 PolarHBondContact O-N 3.28Å; N546-A549 PolarHBondContact O-N 3.24Å; F547-A549 VanDerWaalsContact C-N 3.29Å; F547-A549 PolarHBondContact O-N 3.08Å
550G85.8Confident88.3Confident70 Ų7067.8 Ų67.872%0.72239%0.39SS*.Hα-helixtrans-97.3-6.7176.200000114.6N546 F547 L548N546-G550 PolarHBondContact O-N 2.89Å; F547-G550 PolarHBondContact O-N 2.94Å; L548-G550 VanDerWaalsContact C-N 3.29Å; L548-G550 PolarHBondContact O-N 2.8Å
551F87.6Confident87.9Confident37 Ų3772.9 Ų72.916%0.16242%0.42CS..SBendtrans-87.6114.9179-171.8-99.2000109L499 K506 F507 A510 F547 L548 P553L499-F551 HydrophobicContact CD2-CD1 4.25Å; L499-F551 HydrophobicContact CD2-CE1 4.49Å; K506-F551 HydrophobicContact CB-CZ 4.42Å; F507-F551 VanDerWaalsContact CA-CZ 3.44Å; F507-F551 HydrophobicContact CB-CE1 3.82Å; F507-F551 HydrophobicContact CB-CE2 4.42Å; F507-F551 HydrophobicContact CB-CZ 3.76Å; F507-F551 HydrophobicContact CD2-CD1 4.2Å; F507-F551 HydrophobicContact CD2-CE1 4.32Å; F507-F551 HydrophobicContact CD2-CG 4.37Å; A510-F551 HydrophobicContact CB-CE2 4.09Å; F547-F551 HydrophobicContact CD1-CB 4.35Å; F547-F551 HydrophobicContact CE1-CB 4.17Å; F547-F551 AromaticContact CE1-CD2 3.73Å; F547-F551 HydrophobicContact CE1-CD2 3.73Å; F547-F551 HydrophobicContact CE1-CE2 4.45Å; F547-F551 HydrophobicContact CE1-CG 4.13Å; F547-F551 HydrophobicContact CZ-CD2 4.01Å; F547-F551 WeakPolarHBondContact O-CB 3.44Å; F547-F551 PolarHBondContact O-N 3.01Å; L548-F551 PolarHBondContact O-N 3.03Å; F551-P553 WeakPolarHBondContact O-CD 3.45Å; F551-P553 VanDerWaalsContact O-N 3.16Å
552E72.8Confident87.3Confident175 Ų17569.7 Ų69.782%0.81841%0.414SS*.  trans-60.5120.1174.9-75.8-173.3165.300109.6
553P56.8Low86.6Confident95 Ų9565.3 Ų65.362%0.61740%0.402SS*.  trans-74.10-172.730.7-36.3000112.7L499 K503 F551L499-P553 HydrophobicContact CD2-CB 3.92Å; K503-P553 WeakPolarHBondContact CD-OXT 3.32Å; K503-P553 WeakPolarHBondContact CE-O 3.48Å; K503-P553 VanDerWaalsContact CE-OXT 3.3Å; K503-P553 WeakPolarHBondContact CE-OXT 3.29Å; K503-P553 PolarHBondContact NZ-O 3.15Å; K503-P553 PolarHBondContact NZ-OXT 2.72Å; F551-P553 WeakPolarHBondContact O-CD 3.45Å; F551-P553 VanDerWaalsContact O-N 3.16Å

Retrieved 553 of 553 residues in 147.6 ms (Link to these results)