A0A077K8V5_MOUSE Loading...

ISEC1 protein, intestinal secretory cell protein 1

AlphaFold DB , UniProt , Accession A0A077K8V5, Species MOUSE (Mus musculus, Mouse), Gene Cd200l1, Length 312 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
1M55.1Low60Low212 Ų212125.8 Ų125.8100%1.04464%0.64SS**  048.90-145.9169.617700109.5
2D59.4Low60Low119 Ų119122.8 Ų122.864%0.63663%0.626SS**  trans-113.8-22-140.2-44.2-60.3000115.5S4 L5 L6D2-S4 VanDerWaalsContact C-N 3.29Å; D2-S4 PolarHBondContact O-N 3.44Å; D2-L5 PolarHBondContact O-N 3.31Å; D2-L6 PolarHBondContact O-N 3.24Å
3Y55.8Low59.9Low206 Ų206120.7 Ų120.781%0.80862%0.615SS**Hα-helixtrans-63.8-32.4178.6-67.8-77.2000113.2C7Y3-C7 PolarHBondContact O-N 2.78Å; Y3-C7 VanDerWaalsContact O-N 3.13Å
4S62.3Low59.5Low83 Ų83119.9 Ų119.958%0.5861%0.612SS**Hα-helixtrans-67.1-43.4177.1-170.20000111.7D2 L6 C7 I8D2-S4 VanDerWaalsContact C-N 3.29Å; D2-S4 PolarHBondContact O-N 3.44Å; S4-L6 VanDerWaalsContact C-N 3.34Å; S4-L6 PolarHBondContact O-N 3.21Å; S4-C7 PolarHBondContact O-N 2.85Å; S4-I8 VanDerWaalsContact O-CG1 3.31Å; S4-I8 WeakPolarHBondContact O-CG1 3.39Å; S4-I8 PolarHBondContact O-N 3.36Å
5L59.8Low59.2Low122 Ų122116.3 Ų116.364%0.63960%0.602SS**Hα-helixtrans-66.5-37.9179.9-151.776.7000111.5D2 I8 H9D2-L5 PolarHBondContact O-N 3.31Å; L5-I8 PolarHBondContact O-N 3.48Å; L5-H9 PolarHBondContact O-N 3.47Å
6L60.1Low58.7Low119 Ų119117.3 Ų117.362%0.62361%0.607SS**Hα-helixtrans-65.3-42.6176.5-149.479000112D2 S4 H9 H10D2-L6 PolarHBondContact O-N 3.24Å; S4-L6 VanDerWaalsContact C-N 3.34Å; S4-L6 PolarHBondContact O-N 3.21Å; L6-H9 PolarHBondContact O-N 3.41Å; L6-H10 PolarHBondContact O-N 3.47Å
7C60.8Low58.2Low81 Ų81115.8 Ų115.855%0.54761%0.608SS.*Hα-helixtrans-62.2-41.8173.3-85.50000112.6Y3 S4 H10 L11Y3-C7 PolarHBondContact O-N 2.78Å; Y3-C7 VanDerWaalsContact O-N 3.13Å; S4-C7 PolarHBondContact O-N 2.85Å; C7-H10 PolarHBondContact O-N 3.39Å; C7-L11 WeakPolarHBondContact O-CB 3.33Å; C7-L11 WeakPolarHBondContact O-CG 3.37Å; C7-L11 PolarHBondContact O-N 2.92Å
8I65.3Low57.4Low83 Ų83113.8 Ų113.843%0.42661%0.611SS.*Hα-helixtrans-65.3-40.8178.3-66.9163.1000110.7S4 L5 L11 L12S4-I8 VanDerWaalsContact O-CG1 3.31Å; S4-I8 WeakPolarHBondContact O-CG1 3.39Å; S4-I8 PolarHBondContact O-N 3.36Å; L5-I8 PolarHBondContact O-N 3.48Å; I8-L11 PolarHBondContact O-N 2.9Å; I8-L12 HydrophobicContact CG2-CD1 3.97Å; I8-L12 WeakPolarHBondContact O-CB 3.5Å; I8-L12 WeakPolarHBondContact O-CG 3.35Å; I8-L12 PolarHBondContact O-N 2.85Å
9H63.1Low56.8Low118 Ų118117 Ų11755%0.54662%0.622SS.*Hα-helixtrans-63.4-42.3171.9-99.243.5000112.6L5 L6 L11 L12 I13L5-H9 PolarHBondContact O-N 3.47Å; L6-H9 PolarHBondContact O-N 3.41Å; H9-L11 PolarHBondContact O-N 3.14Å; H9-L12 PolarHBondContact O-N 2.83Å; H9-I13 WeakPolarHBondContact O-CB 3.39Å; H9-I13 WeakPolarHBondContact O-CD1 3.12Å; H9-I13 VanDerWaalsContact O-CG1 3.24Å; H9-I13 WeakPolarHBondContact O-CG1 3.36Å; H9-I13 PolarHBondContact O-N 3.35Å
10H60.4Low56Low123 Ų123119.9 Ų119.957%0.56963%0.632SS**Hα-helixtrans-63.8-39.7176.9-117.4-66.2000112.7L6 C7 I13 L14L6-H10 PolarHBondContact O-N 3.47Å; C7-H10 PolarHBondContact O-N 3.39Å; H10-I13 PolarHBondContact O-N 3.23Å; H10-L14 WeakPolarHBondContact O-CB 3.44Å; H10-L14 WeakPolarHBondContact O-CD1 3.27Å; H10-L14 VanDerWaalsContact O-CG 3.3Å; H10-L14 WeakPolarHBondContact O-CG 3.34Å; H10-L14 PolarHBondContact O-N 2.89Å
11L58.3Low55.4Low118 Ų118119.3 Ų119.362%0.61864%0.637SS**Hα-helixtrans-67.1-39.4175.1-77.6162.2000112.4C7 I8 H9 L14 S15C7-L11 WeakPolarHBondContact O-CB 3.33Å; C7-L11 WeakPolarHBondContact O-CG 3.37Å; C7-L11 PolarHBondContact O-N 2.92Å; I8-L11 PolarHBondContact O-N 2.9Å; H9-L11 PolarHBondContact O-N 3.14Å; L11-L14 PolarHBondContact O-N 3.47Å; L11-S15 PolarHBondContact O-N 2.97Å
12L59Low54.6Low90 Ų90117.7 Ų117.747%0.47163%0.628SS.*Hα-helixtrans-64.5-45.1173.4-80.6162.5000111.6I8 H9 L14 S15 L16I8-L12 HydrophobicContact CG2-CD1 3.97Å; I8-L12 WeakPolarHBondContact O-CB 3.5Å; I8-L12 WeakPolarHBondContact O-CG 3.35Å; I8-L12 PolarHBondContact O-N 2.85Å; H9-L12 PolarHBondContact O-N 2.83Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 2.85Å; L12-S15 PolarHBondContact O-N 2.88Å; L12-S15 VanDerWaalsContact O-N 3.11Å; L12-S15 PolarHBondContact O-OG 2.89Å; L12-L16 WeakPolarHBondContact O-CD1 3.31Å; L12-L16 PolarHBondContact O-N 3.4Å
13I59.5Low53.8Low95 Ų95116.5 Ų116.549%0.48763%0.629SS.*Hα-helixtrans-63.9-39.6177-68.1164.1000111H9 H10 S15 L16 C17H9-I13 WeakPolarHBondContact O-CB 3.39Å; H9-I13 WeakPolarHBondContact O-CD1 3.12Å; H9-I13 VanDerWaalsContact O-CG1 3.24Å; H9-I13 WeakPolarHBondContact O-CG1 3.36Å; H9-I13 PolarHBondContact O-N 3.35Å; H10-I13 PolarHBondContact O-N 3.23Å; I13-S15 VanDerWaalsContact C-N 3.31Å; I13-S15 PolarHBondContact O-N 3.31Å; I13-L16 PolarHBondContact O-N 2.92Å; I13-C17 PolarHBondContact O-N 2.92Å; I13-C17 PolarHBondContact O-SG 3.47Å
14L54.6Low53.7Low110 Ų110110.7 Ų110.758%0.57662%0.618SS**Hα-helixtrans-62.8-35.1172.4-79.2162.4000112.5H10 L11 L12 A18H10-L14 WeakPolarHBondContact O-CB 3.44Å; H10-L14 WeakPolarHBondContact O-CD1 3.27Å; H10-L14 VanDerWaalsContact O-CG 3.3Å; H10-L14 WeakPolarHBondContact O-CG 3.34Å; H10-L14 PolarHBondContact O-N 2.89Å; L11-L14 PolarHBondContact O-N 3.47Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 2.85Å; L14-A18 PolarHBondContact O-N 3.32Å
15S54Low53.6Low65 Ų65112.5 Ų112.546%0.45562%0.617SS.*Hα-helixtrans-72.8-34.4175.575.40000113.3L11 L12 I13 A18L11-S15 PolarHBondContact O-N 2.97Å; L12-S15 PolarHBondContact O-N 2.88Å; L12-S15 VanDerWaalsContact O-N 3.11Å; L12-S15 PolarHBondContact O-OG 2.89Å; I13-S15 VanDerWaalsContact C-N 3.31Å; I13-S15 PolarHBondContact O-N 3.31Å; S15-A18 PolarHBondContact O-N 3.47Å
16L52Low54.7Low132 Ų132111.8 Ų111.869%0.69161%0.606SS**Hα-helixtrans-70.6-33.1173.6-88.684.6000112.7L12 I13 A18L12-L16 WeakPolarHBondContact O-CD1 3.31Å; L12-L16 PolarHBondContact O-N 3.4Å; I13-L16 PolarHBondContact O-N 2.92Å; L16-A18 VanDerWaalsContact C-N 3.31Å
17C50.3Low56.1Low92 Ų92106.4 Ų106.462%0.62258%0.578SS**Hα-helixtrans-77.3-13.2175.2-68.20000113.8I13 Q19I13-C17 PolarHBondContact O-N 2.92Å; I13-C17 PolarHBondContact O-SG 3.47Å; C17-Q19 VanDerWaalsContact C-N 3.26Å; C17-Q19 PolarHBondContact O-N 2.94Å
18A43.6Very low57.6Low80 Ų80109.1 Ų109.166%0.66158%0.58SS**THydrogen-bonded Turntrans-79.8-5.3176.400000113.6L14 S15 L16 E20L14-A18 PolarHBondContact O-N 3.32Å; S15-A18 PolarHBondContact O-N 3.47Å; L16-A18 VanDerWaalsContact C-N 3.31Å; A18-E20 PolarHBondContact O-N 3.44Å
19Q45.9Very low59Low175 Ų175106.7 Ų106.782%0.81857%0.567SS**  trans-8939.9170.8-151.186.431.200111.4C17 S21C17-Q19 VanDerWaalsContact C-N 3.26Å; C17-Q19 PolarHBondContact O-N 2.94Å; Q19-S21 PolarHBondContact O-N 3.27Å
20E41.2Very low60.5Low174 Ų174104.9 Ų104.981%0.81356%0.561SS**  trans-57.3129.8160.3-79.6-165.1153.700108A18 E22A18-E20 PolarHBondContact O-N 3.44Å; E20-E22 VanDerWaalsContact C-N 3.27Å; E20-E22 PolarHBondContact O-N 3.42Å
21S42.7Very low62.1Low108 Ų108104.1 Ų104.176%0.75557%0.565SS**  trans-66.886.1-177165.80000110.1Q19 S23Q19-S21 PolarHBondContact O-N 3.27Å; S21-S23 PolarHBondContact O-N 2.9Å
22E39.3Very low63.9Low179 Ų179104.1 Ų104.184%0.83656%0.558SS**  trans-65.777.9155.7-159.2-179.3-13600107.4E20 S24E20-E22 VanDerWaalsContact C-N 3.27Å; E20-E22 PolarHBondContact O-N 3.42Å; E22-S24 PolarHBondContact O-N 2.78Å
23S42.9Very low65.7Low94 Ų94101.8 Ų101.866%0.65755%0.545SS*.  trans-66.275.7162.8166.70000106.2S21 Q25S21-S23 PolarHBondContact O-N 2.9Å; S23-Q25 VanDerWaalsContact C-N 3.28Å; S23-Q25 PolarHBondContact O-N 3.39Å
24S51.8Low67.5Low84 Ų84104 Ų10459%0.58755%0.547SS*.  trans-54.596.9172.4-1770000106.8E22 R26E22-S24 PolarHBondContact O-N 2.78Å; S24-R26 WeakPolarHBondContact O-CG 3.32Å; S24-R26 PolarHBondContact O-N 2.91Å
25Q60.7Low69.5Low120 Ų12099 Ų9956%0.56152%0.522SS*.  trans-75.986.7-168.6-165.4-177.6-3.700107S23 I27 H29S23-Q25 VanDerWaalsContact C-N 3.28Å; S23-Q25 PolarHBondContact O-N 3.39Å; Q25-I27 WeakPolarHBondContact CG-O 3.32Å; Q25-I27 PolarHBondContact O-N 3.18Å; Q25-H29 PolarHBondContact NE2-NE2 3.49Å
26R83.6Confident71.6Confident108 Ų10899 Ų9941%0.40852%0.519SS..SBendtrans-58.4-8.4-176-58.6-170.1-174.3-170.61.5113.5S24 F47 T48 E51 H125S24-R26 WeakPolarHBondContact O-CG 3.32Å; S24-R26 PolarHBondContact O-N 2.91Å; R26-F47 HydrophobicContact CB-CD2 4.39Å; R26-F47 HydrophobicContact CB-CE2 4.09Å; R26-F47 CarbonylContact O-C 3.6Å; R26-F47 WeakPolarHBondContact O-CA 3.44Å; R26-F47 VanDerWaalsContact O-CD2 3.23Å; R26-F47 WeakPolarHBondContact O-CD2 3.34Å; R26-T48 VanDerWaalsContact C-OG1 3.3Å; R26-T48 WeakPolarHBondContact CA-OG1 3.35Å; R26-T48 PolarHBondContact O-N 3.27Å; R26-T48 PolarHBondContact O-OG1 2.99Å; R26-E51 IonicContact NH1-OE1 3.02Å; R26-E51 PolarHBondContact NH1-OE1 2.97Å; R26-H125 PolarHBondContact NH1-CE1 2.88Å; R26-H125 PolarHBondContact NH1-NE2 3.44Å
27I89.4Confident73.8Confident6 Ų695.8 Ų95.83%0.03150%0.502CS..EExtended strand (participates in β ladder)trans-129.9113.6178.3-63.1163.7000109.5Q25 H29 C45 N46 F47 F117 H125 G126Q25-I27 WeakPolarHBondContact CG-O 3.32Å; Q25-I27 PolarHBondContact O-N 3.18Å; I27-H29 HydrophobicContact CG2-CB 4.39Å; I27-H29 PolarHBondContact O-CD2 2.98Å; I27-C45 HydrophobicContact CG2-CB 4.07Å; I27-N46 CarbonylContact C-O 3.59Å; I27-N46 VanDerWaalsContact CA-O 3.26Å; I27-N46 WeakPolarHBondContact CA-O 3.42Å; I27-F47 HydrophobicContact CD1-CD2 4.47Å; I27-F47 HydrophobicContact CG1-CD2 3.81Å; I27-F117 HydrophobicContact CD1-CD2 3.54Å; I27-F117 HydrophobicContact CD1-CE2 4.03Å; I27-F117 HydrophobicContact CG1-CD2 3.85Å; I27-F117 HydrophobicContact CG1-CE2 3.99Å; I27-F117 HydrophobicContact CG2-CE2 4Å; I27-H125 HydrophobicContact CD1-CB 3.79Å; I27-H125 WeakPolarHBondContact CD1-O 3.38Å; I27-G126 VanDerWaalsContact CD1-CA 3.46Å; I27-G126 VanDerWaalsContact CD1-N 3.26Å
28K92.6Very high76.1Confident137 Ų13794 Ų9460%0.59650%0.498SS*.EExtended strand (participates in β ladder)trans-81116.4168.3-175.6178-178.2177.80108.7F44 C45 N46 T48K28-F44 HydrophobicContact CG-CE1 4.33Å; K28-C45 WeakPolarHBondContact O-CA 3.42Å; K28-N46 HydrophobicContact CB-CB 4.42Å; K28-N46 PolarHBondContact N-O 3Å; K28-N46 PolarHBondContact O-N 3.29Å; K28-T48 HydrophobicContact CB-CG2 4.4Å
29H93.8Very high78.6Confident32 Ų3291.4 Ų91.415%0.14848%0.48CS..EExtended strand (participates in β ladder)trans-146.6165.1176.867.286.8000109.7Q25 I27 F44 G127 Q128Q25-H29 PolarHBondContact NE2-NE2 3.49Å; I27-H29 HydrophobicContact CG2-CB 4.39Å; I27-H29 PolarHBondContact O-CD2 2.98Å; H29-F44 WeakPolarHBondContact CB-O 3.36Å; H29-G127 VanDerWaalsContact CD2-CA 3.44Å; H29-G127 WeakPolarHBondContact CD2-CA 3.31Å; H29-Q128 PolarHBondContact CE1-N 3.49Å; H29-Q128 PolarHBondContact CE1-O 2.78Å; H29-Q128 PolarHBondContact ND1-O 2.83Å; H29-Q128 VanDerWaalsContact ND1-O 3.15Å; H29-Q128 PolarHBondContact NE2-N 2.76Å
30N94.4Very high81Confident80 Ų8088.1 Ų88.143%0.42847%0.468SS..  trans-82.7141168.3-68.1-18.7000109.4E33 T129N30-E33 HydrophobicContact CB-CG 4.42Å; N30-E33 PolarHBondContact ND2-OE1 3.43Å; N30-T129 WeakPolarHBondContact O-CA 3.28Å; N30-T129 VanDerWaalsContact O-CB 3.26Å; N30-T129 WeakPolarHBondContact O-CB 3.42Å; N30-T129 VanDerWaalsContact O-CG2 3.27Å; N30-T129 WeakPolarHBondContact O-CG2 3.33Å; N30-T129 PolarHBondContact O-OG1 2.84Å
31T94.9Very high83.7Confident107 Ų10780.8 Ų80.866%0.65643%0.434SS*.SBendtrans-76.7-31.3177.9-480000111.7C130T31-C130 PolarHBondContact O-N 2.96Å
32Y96.1Very high86.2Confident119 Ų11978.2 Ų78.247%0.46742%0.416SS..EExtended strand (participates in β ladder)trans-144.9140.7-173.7-176.7-104.8000110.9R34 C130 T132Y32-R34 HydrophobicContact CD1-CG 4.4Å; Y32-R34 HydrophobicContact CE1-CG 3.54Å; Y32-C130 CarbonylContact C-O 3.49Å; Y32-C130 VanDerWaalsContact CA-O 3.31Å; Y32-C130 WeakPolarHBondContact CA-O 3.22Å; Y32-C130 HydrophobicContact CD2-CB 4.27Å; Y32-C130 VanDerWaalsContact CD2-O 3.24Å; Y32-C130 WeakPolarHBondContact CD2-O 3.36Å; Y32-T132 WeakPolarHBondContact CE2-OG1 3.29Å; Y32-T132 WeakPolarHBondContact OH-CB 3.35Å; Y32-T132 PolarHBondContact OH-OG1 2.83Å
33E97.1Very high88.9Confident40 Ų4069.7 Ų69.719%0.18738%0.376CS..EExtended strand (participates in β ladder)trans-135.1152.1179.6-76.1-65.9177.700111.4N30 T129 C130 L131 T132N30-E33 HydrophobicContact CB-CG 4.42Å; N30-E33 PolarHBondContact ND2-OE1 3.43Å; E33-T129 HydrophobicContact CB-CG2 4.12Å; E33-T129 HydrophobicContact CG-CG2 3.53Å; E33-C130 PolarHBondContact N-O 2.9Å; E33-L131 HydrophobicContact CB-CD1 4.06Å; E33-L131 WeakPolarHBondContact O-CA 3.15Å; E33-T132 PolarHBondContact O-N 2.67Å
34R96.8Very high91.3Very high142 Ų14267.3 Ų67.354%0.53635%0.354SS..EExtended strand (participates in β ladder)trans-126.1135.6174.9-69.2-178.9-67.4176.8-0.2110.9Y32 T132 I134Y32-R34 HydrophobicContact CD1-CG 4.4Å; Y32-R34 HydrophobicContact CE1-CG 3.54Å; R34-T132 WeakPolarHBondContact CA-O 3.38Å; R34-I134 HydrophobicContact CB-CD1 4.29Å
35A97.6Very high93.3Very high5 Ų563.3 Ų63.34%0.04133%0.326CS..EExtended strand (participates in β ladder)trans-129.5140.7176.400000111.2I41 V105 L131 T132 I133 I134A35-I41 HydrophobicContact CB-CB 3.8Å; A35-I41 HydrophobicContact CB-CD1 4.44Å; A35-I41 HydrophobicContact CB-CG1 4.17Å; A35-I41 HydrophobicContact CB-CG2 4.25Å; A35-V105 HydrophobicContact CB-CG1 4.41Å; A35-V105 HydrophobicContact CB-CG2 3.86Å; A35-L131 HydrophobicContact CB-CD1 3.88Å; A35-T132 PolarHBondContact N-O 3.49Å; A35-I133 HydrophobicContact CB-CD1 4.19Å; A35-I133 WeakPolarHBondContact O-CA 3.17Å; A35-I134 WeakPolarHBondContact O-CG1 2.92Å; A35-I134 PolarHBondContact O-N 2.9Å
36V97.9Very high94.8Very high65 Ų6559 Ų5939%0.39431%0.307SS..EExtended strand (participates in β ladder)trans-73.5134.4173.3-173.50000108.8G38 G39 V105 I134 V220V36-G38 PolarHBondContact O-N 2.98Å; V36-G39 WeakPolarHBondContact O-CA 3.33Å; V36-G39 PolarHBondContact O-N 3.37Å; V36-V105 WeakPolarHBondContact O-CG2 3.32Å; V36-I134 CarbonylContact C-O 3.47Å; V36-I134 WeakPolarHBondContact CA-O 3.39Å; V36-I134 HydrophobicContact CG2-CG1 4.38Å; V36-V220 HydrophobicContact CG1-CG1 3.82Å; V36-V220 HydrophobicContact CG1-CG2 4.4Å; V36-V220 HydrophobicContact CG2-CG1 4.08Å; V36-V220 HydrophobicContact CG2-CG2 4.16Å
37L97.9Very high95.1Very high65 Ų6554 Ų5434%0.3429%0.288SS..THydrogen-bonded Turntrans-50129.9175.8-176.871.2000111.2G39 F107 I133 I134L37-G39 PolarHBondContact O-N 2.91Å; L37-F107 HydrophobicContact CD1-CD2 3.91Å; L37-F107 HydrophobicContact CD1-CE1 4.47Å; L37-F107 HydrophobicContact CD1-CE2 3.81Å; L37-F107 HydrophobicContact CD1-CG 4.32Å; L37-F107 HydrophobicContact CD1-CZ 4.11Å; L37-F107 HydrophobicContact CD2-CE2 3.69Å; L37-F107 HydrophobicContact CD2-CZ 3.86Å; L37-F107 HydrophobicContact CG-CE2 4.39Å; L37-I133 HydrophobicContact CB-CG2 3.88Å; L37-I133 HydrophobicContact CD1-CG2 3.89Å; L37-I134 PolarHBondContact N-O 3.4Å
38G97.2Very high95.1Very high53 Ų5357.6 Ų57.655%0.54631%0.31SS..THydrogen-bonded Turntrans77.4-7.6-175.400000115.2V36 V105V36-G38 PolarHBondContact O-N 2.98Å; G38-V105 PolarHBondContact N-O 3.33Å
39G96.9Very high94.7Very high26 Ų2652.8 Ų52.827%0.26829%0.294SS..SBendtrans-79.7-175.9173.900000113.5V36 L37 G104 V105V36-G39 WeakPolarHBondContact O-CA 3.33Å; V36-G39 PolarHBondContact O-N 3.37Å; L37-G39 PolarHBondContact O-N 2.91Å; G39-G104 CarbonylContact O-C 3.5Å; G39-G104 WeakPolarHBondContact O-CA 3.34Å; G39-G104 PolarHBondContact O-N 3.3Å; G39-G104 VanDerWaalsContact O-N 3.12Å; G39-V105 PolarHBondContact O-N 3.42Å
40N97.1Very high94.1Very high106 Ų10659.7 Ų59.757%0.56733%0.331SS*.  trans-111.5145.2175.3-61.8-12.2000109.7I102 Q103 G104N40-I102 WeakPolarHBondContact CA-O 3.47Å; N40-Q103 WeakPolarHBondContact OD1-CA 3.49Å; N40-G104 PolarHBondContact OD1-N 3.09Å
41I96.5Very high93.6Very high20 Ų2057.5 Ų57.510%0.10332%0.318CS..EExtended strand (participates in β ladder)trans-132144.1175.6-172.658.8000110.3A35 T101 I102 V105 L131A35-I41 HydrophobicContact CB-CB 3.8Å; A35-I41 HydrophobicContact CB-CD1 4.44Å; A35-I41 HydrophobicContact CB-CG1 4.17Å; A35-I41 HydrophobicContact CB-CG2 4.25Å; I41-T101 CarbonylContact O-C 3.58Å; I41-T101 WeakPolarHBondContact O-CA 3.45Å; I41-I102 HydrophobicContact CG2-CB 4.13Å; I41-I102 PolarHBondContact N-O 3.05Å; I41-I102 PolarHBondContact O-N 3.36Å; I41-V105 HydrophobicContact CB-CG1 4.45Å; I41-V105 HydrophobicContact CG2-CG1 3.62Å; I41-L131 HydrophobicContact CG1-CD1 4.03Å; I41-L131 HydrophobicContact CG2-CD1 4.36Å; I41-L131 HydrophobicContact CG2-CD2 3.93Å
42S95.8Very high93.1Very high55 Ų5558.6 Ų58.639%0.38532%0.321SS..EExtended strand (participates in β ladder)trans-119.2112.8174.5-64.30000109.9M100 T101S42-M100 CarbonylContact C-O 3.59Å; S42-M100 WeakPolarHBondContact CA-O 3.43Å; S42-T101 PolarHBondContact OG-OG1 2.92Å
43I95.2Very high92.8Very high0 Ų054.1 Ų54.10%031%0.306CS..EExtended strand (participates in β ladder)trans-86.8129.2174.3-60.9-175.8000108.6W58 F99 M100 Y113 T129I43-W58 HydrophobicContact CB-CZ3 4.28Å; I43-W58 HydrophobicContact CG2-CH2 4.19Å; I43-W58 HydrophobicContact CG2-CZ3 3.78Å; I43-F99 CarbonylContact O-C 3.55Å; I43-F99 WeakPolarHBondContact O-CA 3.41Å; I43-M100 HydrophobicContact CB-CE 4.14Å; I43-M100 HydrophobicContact CD1-CE 3.78Å; I43-M100 HydrophobicContact CG1-CE 4.26Å; I43-M100 PolarHBondContact N-O 3.04Å; I43-M100 PolarHBondContact O-N 3.5Å; I43-Y113 HydrophobicContact CD1-CD2 3.65Å; I43-Y113 HydrophobicContact CD1-CE2 4.4Å; I43-Y113 HydrophobicContact CD1-CG 3.89Å; I43-T129 HydrophobicContact CD1-CG2 4.46Å; I43-T129 HydrophobicContact CG2-CG2 3.96Å
44F93.3Very high92.5Very high44 Ų4457.9 Ų57.919%0.19332%0.323CS..EExtended strand (participates in β ladder)trans-107.6135.9-174.9165-113.4000112.1K28 H29 N46 A97 F99K28-F44 HydrophobicContact CG-CE1 4.33Å; H29-F44 WeakPolarHBondContact CB-O 3.36Å; F44-N46 HydrophobicContact CE1-CB 4.12Å; F44-N46 HydrophobicContact CE2-CB 3.64Å; F44-N46 HydrophobicContact CZ-CB 3.28Å; F44-A97 HydrophobicContact CE2-CB 4.22Å; F44-F99 HydrophobicContact CB-CD1 3.9Å; F44-F99 HydrophobicContact CB-CE1 3.72Å; F44-F99 HydrophobicContact CB-CZ 4.39Å; F44-F99 HydrophobicContact CD2-CD1 4Å; F44-F99 HydrophobicContact CD2-CD2 4.18Å; F44-F99 AromaticContact CD2-CE1 3.41Å; F44-F99 HydrophobicContact CD2-CE1 3.41Å; F44-F99 VanDerWaalsContact CD2-CE1 3.41Å; F44-F99 AromaticContact CD2-CE2 3.57Å; F44-F99 HydrophobicContact CD2-CE2 3.57Å; F44-F99 HydrophobicContact CD2-CG 4.37Å; F44-F99 AromaticContact CD2-CZ 3.17Å; F44-F99 HydrophobicContact CD2-CZ 3.17Å; F44-F99 HydrophobicContact CE2-CE1 4.28Å; F44-F99 AromaticContact CE2-CE2 3.87Å; F44-F99 HydrophobicContact CE2-CE2 3.87Å; F44-F99 AromaticContact CE2-CZ 3.61Å; F44-F99 HydrophobicContact CE2-CZ 3.61Å; F44-F99 HydrophobicContact CG-CD1 4.41Å; F44-F99 AromaticContact CG-CE1 3.87Å; F44-F99 HydrophobicContact CG-CE1 3.87Å; F44-F99 HydrophobicContact CG-CZ 4.05Å
45C93.4Very high92.3Very high0 Ų054.1 Ų54.10%031%0.312CS..EExtended strand (participates in β ladder)trans-137.6133.8163.3-66.10000111.5I27 K28 W58 Y98 C115 F117I27-C45 HydrophobicContact CG2-CB 4.07Å; K28-C45 WeakPolarHBondContact O-CA 3.42Å; C45-W58 HydrophobicContact CB-CH2 4.26Å; C45-Y98 PolarHBondContact N-O 3.41Å; C45-Y98 PolarHBondContact O-N 2.88Å; C45-Y98 VanDerWaalsContact O-O 3.06Å; C45-C115 HydrophobicContact CB-CB 3.63Å; C45-C115 WeakPolarHBondContact CB-SG 3.31Å; C45-C115 WeakPolarHBondContact SG-CB 3.46Å; C45-C115 CovalentContact SG-SG 2.02Å; C45-C115 PolarHBondContact SG-SG 2.86Å; C45-F117 HydrophobicContact CB-CE2 3.85Å; C45-F117 HydrophobicContact CB-CZ 4Å
46N92.5Very high92.1Very high28 Ų2854 Ų5415%0.1531%0.31CS..EExtended strand (participates in β ladder)trans-123.1126.4173.4173.5-33.9000110.5I27 K28 F44 S96 A97I27-N46 CarbonylContact C-O 3.59Å; I27-N46 VanDerWaalsContact CA-O 3.26Å; I27-N46 WeakPolarHBondContact CA-O 3.42Å; K28-N46 HydrophobicContact CB-CB 4.42Å; K28-N46 PolarHBondContact N-O 3Å; K28-N46 PolarHBondContact O-N 3.29Å; F44-N46 HydrophobicContact CE1-CB 4.12Å; F44-N46 HydrophobicContact CE2-CB 3.64Å; F44-N46 HydrophobicContact CZ-CB 3.28Å; N46-S96 CarbonylContact C-O 3.57Å; N46-S96 VanDerWaalsContact CA-O 3.23Å; N46-S96 WeakPolarHBondContact CA-O 3.39Å; N46-A97 HydrophobicContact CB-CB 4.36Å
47F90.8Very high92Very high3 Ų351.3 Ų51.31%0.01329%0.294CS..EExtended strand (participates in β ladder)trans-90113.7177.7-175-126000110.5R26 I27 S49 E51 V53 S96 F117 T119 H125R26-F47 HydrophobicContact CB-CD2 4.39Å; R26-F47 HydrophobicContact CB-CE2 4.09Å; R26-F47 CarbonylContact O-C 3.6Å; R26-F47 WeakPolarHBondContact O-CA 3.44Å; R26-F47 VanDerWaalsContact O-CD2 3.23Å; R26-F47 WeakPolarHBondContact O-CD2 3.34Å; I27-F47 HydrophobicContact CD1-CD2 4.47Å; I27-F47 HydrophobicContact CG1-CD2 3.81Å; F47-S49 VanDerWaalsContact CZ-CB 3.44Å; F47-E51 HydrophobicContact CE1-CB 3.96Å; F47-E51 HydrophobicContact CZ-CB 4.26Å; F47-V53 HydrophobicContact CD1-CG2 3.52Å; F47-V53 HydrophobicContact CE1-CG2 3.88Å; F47-V53 HydrophobicContact CG-CG2 4.44Å; F47-S96 PolarHBondContact N-O 2.69Å; F47-S96 WeakPolarHBondContact O-CB 3.29Å; F47-F117 HydrophobicContact CB-CD1 3.55Å; F47-F117 HydrophobicContact CB-CD2 4.12Å; F47-F117 HydrophobicContact CB-CE1 3.48Å; F47-F117 VanDerWaalsContact CB-CE1 3.48Å; F47-F117 HydrophobicContact CB-CE2 4.08Å; F47-F117 HydrophobicContact CB-CG 3.87Å; F47-F117 HydrophobicContact CB-CZ 3.76Å; F47-F117 HydrophobicContact CD1-CD1 4.35Å; F47-F117 HydrophobicContact CD2-CB 4.28Å; F47-F117 HydrophobicContact CD2-CD2 4.37Å; F47-F117 HydrophobicContact CD2-CG 4.17Å; F47-F117 HydrophobicContact CG-CB 4.33Å; F47-F117 AromaticContact CG-CD1 3.98Å; F47-F117 HydrophobicContact CG-CD1 3.98Å; F47-F117 HydrophobicContact CG-CD2 4.46Å; F47-F117 HydrophobicContact CG-CE1 4.4Å; F47-F117 AromaticContact CG-CG 4Å; F47-F117 HydrophobicContact CG-CG 4Å; F47-T119 HydrophobicContact CE1-CG2 3.67Å; F47-T119 HydrophobicContact CZ-CG2 3.75Å; F47-H125 HydrophobicContact CD2-CB 4.46Å; F47-H125 HydrophobicContact CE2-CB 3.79Å; F47-H125 AromaticContact CE2-CD2 3.61Å; F47-H125 AromaticContact CE2-CG 3.88Å; F47-H125 AromaticContact CZ-CD2 3.63Å
48T88.3Confident91.9Very high82 Ų8248.3 Ų48.350%0.50328%0.278SS..  trans-87.7-2.6-172.1560000113.9R26 K28R26-T48 VanDerWaalsContact C-OG1 3.3Å; R26-T48 WeakPolarHBondContact CA-OG1 3.35Å; R26-T48 PolarHBondContact O-N 3.27Å; R26-T48 PolarHBondContact O-OG1 2.99Å; K28-T48 HydrophobicContact CB-CG2 4.4Å
49S84.9Confident91.8Very high36 Ų3647.2 Ų47.225%0.25226%0.259SS..SBendtrans-78.8153.5174.1-163.80000111.4F47 E51F47-S49 VanDerWaalsContact CZ-CB 3.44Å; S49-E51 PolarHBondContact O-N 3.42Å; S49-E51 WeakPolarHBondContact OG-CG 3.44Å; S49-E51 PolarHBondContact OG-OE1 3.33Å
50L80.5Confident91.8Very high178 Ų17846.5 Ų46.593%0.93225%0.248SC*.SBendtrans-83.98.3173.9-60.9176.8000113
51E85Confident91.6Very high33 Ų3343.1 Ų43.115%0.15423%0.23CC..SBendtrans-73143.8178.8-66.2165.2-117.300112.2R26 F47 S49 V53 T119 H122 H125R26-E51 IonicContact NH1-OE1 3.02Å; R26-E51 PolarHBondContact NH1-OE1 2.97Å; F47-E51 HydrophobicContact CE1-CB 3.96Å; F47-E51 HydrophobicContact CZ-CB 4.26Å; S49-E51 PolarHBondContact O-N 3.42Å; S49-E51 WeakPolarHBondContact OG-CG 3.44Å; S49-E51 PolarHBondContact OG-OE1 3.33Å; E51-V53 PolarHBondContact O-N 2.98Å; E51-T119 HydrophobicContact CB-CG2 4.01Å; E51-T119 PolarHBondContact OE2-OG1 2.86Å; E51-H122 WeakPolarHBondContact OE2-CB 3.33Å; E51-H122 IonicContact OE2-CG 3.42Å; E51-H122 IonicContact OE2-ND1 2.91Å; E51-H122 PolarHBondContact OE2-ND1 3.39Å; E51-H125 IonicContact OE1-NE2 3.9Å; E51-H125 IonicContact OE2-NE2 3.7Å
52N84.8Confident90.8Very high131 Ų13147.4 Ų47.470%0.70125%0.249SC*.  trans-67.9123.9175-69-25.3000111.2T119N52-T119 WeakPolarHBondContact O-CA 3.28Å; N52-T119 WeakPolarHBondContact O-CB 3.45Å; N52-T119 WeakPolarHBondContact O-CG2 3.1Å
53V88.9Confident89.8Confident25 Ų2548.1 Ų48.115%0.15227%0.266CS..EExtended strand (participates in β ladder)trans-87.9113.5174.5179.80000109.2F47 E51 F117 T119F47-V53 HydrophobicContact CD1-CG2 3.52Å; F47-V53 HydrophobicContact CE1-CG2 3.88Å; F47-V53 HydrophobicContact CG-CG2 4.44Å; E51-V53 PolarHBondContact O-N 2.98Å; V53-F117 HydrophobicContact CG1-CD1 3.93Å; V53-F117 HydrophobicContact CG2-CD1 3.87Å; V53-T119 HydrophobicContact CG2-CG2 4.44Å
54E90.9Very high88.8Confident118 Ų11854.1 Ų54.155%0.55131%0.308SS*.EExtended strand (participates in β ladder)trans-76.7-42176.3-65.4-63.6149.100111.3S73 N118 F120E54-S73 VanDerWaalsContact O-CB 3.23Å; E54-S73 WeakPolarHBondContact O-CB 3.46Å; E54-N118 PolarHBondContact N-O 3.49Å; E54-F120 HydrophobicContact CG-CB 4.41Å
55Q92.3Very high88.3Confident64 Ų6458.6 Ų58.630%0.29933%0.333SS..EExtended strand (participates in β ladder)trans-155.8140.3-178.3-171.3-178.1-81.200110.9T57 Y72 N118Q55-T57 PolarHBondContact NE2-OG1 3.02Å; Q55-Y72 CarbonylContact C-O 3.54Å; Q55-Y72 WeakPolarHBondContact CA-O 3.48Å; Q55-Y72 VanDerWaalsContact CG-O 3.25Å; Q55-Y72 WeakPolarHBondContact CG-O 3.5Å; Q55-N118 WeakPolarHBondContact O-CB 3.36Å; Q55-N118 PolarHBondContact O-N 3.42Å; Q55-N118 PolarHBondContact O-ND2 2.78Å
56I93.7Very high88.2Confident1 Ų161 Ų611%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-96.2134.8160.1-169.9171.2000110.2W58 T71 Y72 Y98 C115 L116 F117I56-W58 HydrophobicContact CD1-CZ2 3.92Å; I56-T71 CarbonylContact O-C 3.58Å; I56-T71 VanDerWaalsContact O-CA 3.24Å; I56-T71 WeakPolarHBondContact O-CA 3.48Å; I56-Y72 PolarHBondContact N-O 2.92Å; I56-Y72 PolarHBondContact O-N 3.46Å; I56-Y98 HydrophobicContact CB-CD1 4.22Å; I56-Y98 HydrophobicContact CB-CE1 4.45Å; I56-Y98 VanDerWaalsContact CD1-CB 3.46Å; I56-Y98 HydrophobicContact CD1-CD1 4.12Å; I56-Y98 HydrophobicContact CD1-CD2 4.29Å; I56-Y98 HydrophobicContact CD1-CG 3.71Å; I56-Y98 HydrophobicContact CG2-CD1 3.54Å; I56-Y98 HydrophobicContact CG2-CE1 3.87Å; I56-Y98 HydrophobicContact CG2-CG 4.24Å; I56-C115 HydrophobicContact CD1-CB 4.27Å; I56-L116 CarbonylContact C-O 3.6Å; I56-L116 WeakPolarHBondContact CA-O 3.4Å; I56-F117 HydrophobicContact CD1-CE1 4.01Å; I56-F117 HydrophobicContact CD1-CE2 4.24Å; I56-F117 HydrophobicContact CD1-CZ 3.86Å
57T95.3Very high88.3Confident10 Ų1064.1 Ų64.16%0.06136%0.362CS..EExtended strand (participates in β ladder)trans-117.6127.2174.3-58.60000109.3Q55 Q59 N68 T71 L116 N118Q55-T57 PolarHBondContact NE2-OG1 3.02Å; T57-Q59 HydrophobicContact CG2-CG 4.24Å; T57-N68 HydrophobicContact CG2-CB 4.5Å; T57-T71 HydrophobicContact CG2-CG2 3.95Å; T57-L116 PolarHBondContact N-O 3.19Å; T57-L116 PolarHBondContact O-N 2.95Å; T57-N118 PolarHBondContact OG1-ND2 3.02Å
58W96.3Very high88.5Confident1 Ų167.5 Ų67.50%0.00438%0.38CS..EExtended strand (participates in β ladder)trans-97.1133.3172-67.894.4000110I43 C45 I56 I69 G70 C90 M100 K114 C115I43-W58 HydrophobicContact CB-CZ3 4.28Å; I43-W58 HydrophobicContact CG2-CH2 4.19Å; I43-W58 HydrophobicContact CG2-CZ3 3.78Å; C45-W58 HydrophobicContact CB-CH2 4.26Å; I56-W58 HydrophobicContact CD1-CZ2 3.92Å; W58-I69 HydrophobicContact CB-CD1 4.39Å; W58-I69 HydrophobicContact CB-CG1 3.92Å; W58-I69 WeakPolarHBondContact O-CG1 3.4Å; W58-I69 PolarHBondContact O-N 3.23Å; W58-G70 PolarHBondContact N-O 2.95Å; W58-G70 PolarHBondContact O-N 3.07Å; W58-C90 VanDerWaalsContact CD1-SG 3.6Å; W58-M100 HydrophobicContact CB-SD 3.83Å; W58-M100 HydrophobicContact CD2-CB 3.64Å; W58-M100 HydrophobicContact CD2-CE 4.45Å; W58-M100 HydrophobicContact CD2-CG 4.2Å; W58-M100 HydrophobicContact CD2-SD 3.78Å; W58-M100 HydrophobicContact CE3-CB 3.82Å; W58-M100 HydrophobicContact CE3-CE 3.8Å; W58-M100 HydrophobicContact CE3-CG 4.39Å; W58-M100 HydrophobicContact CE3-SD 3.72Å; W58-M100 HydrophobicContact CG-CB 4.24Å; W58-M100 HydrophobicContact CG-CG 4.39Å; W58-M100 HydrophobicContact CG-SD 3.83Å; W58-M100 HydrophobicContact CH2-CB 3.88Å; W58-M100 HydrophobicContact CZ2-CB 3.72Å; W58-M100 HydrophobicContact CZ3-CB 3.93Å; W58-M100 HydrophobicContact CZ3-CE 4.15Å; W58-K114 CarbonylContact C-O 3.49Å; W58-K114 WeakPolarHBondContact CA-O 3.2Å; W58-C115 HydrophobicContact CD2-CB 4.33Å; W58-C115 HydrophobicContact CE3-CB 3.9Å; W58-C115 HydrophobicContact CH2-CB 3.76Å; W58-C115 HydrophobicContact CZ2-CB 4.16Å; W58-C115 HydrophobicContact CZ3-CB 3.61Å
59Q96.1Very high88.9Confident30 Ų3063.6 Ų63.614%0.1436%0.356CS..EExtended strand (participates in β ladder)trans-125.6142.5178-55.2-171.2-42.500111.2T57 P66 Q67 N68 Y113 K114 L116T57-Q59 HydrophobicContact CG2-CG 4.24Å; Q59-P66 HydrophobicContact CB-CB 4.24Å; Q59-P66 VanDerWaalsContact OE1-CB 3.27Å; Q59-Q67 CarbonylContact C-O 3.55Å; Q59-Q67 WeakPolarHBondContact CA-O 3.29Å; Q59-N68 WeakPolarHBondContact CG-OD1 3.49Å; Q59-N68 PolarHBondContact NE2-OD1 3.46Å; Q59-Y113 CarbonylContact O-C 3.53Å; Q59-Y113 WeakPolarHBondContact O-CA 3.24Å; Q59-K114 HydrophobicContact CB-CB 4.24Å; Q59-K114 PolarHBondContact N-O 3.49Å; Q59-K114 PolarHBondContact O-N 3.41Å; Q59-L116 VanDerWaalsContact CD-CD1 3.49Å; Q59-L116 HydrophobicContact CG-CD1 4.12Å
60K95.8Very high89.3Confident11 Ų1161.9 Ų61.95%0.04834%0.344CS..EExtended strand (participates in β ladder)trans-95.3133.7162.7-172.5-173.7-173.1-168.90108.9Q67 I69 E108 A111 Y113K60-Q67 PolarHBondContact N-O 3.02Å; K60-Q67 PolarHBondContact O-N 3Å; K60-I69 HydrophobicContact CB-CD1 4.38Å; K60-I69 HydrophobicContact CB-CG2 3.84Å; K60-E108 WeakPolarHBondContact CE-O 3.5Å; K60-E108 PolarHBondContact NZ-O 2.75Å; K60-A111 HydrophobicContact CD-CB 4.22Å; K60-A111 HydrophobicContact CG-CB 3.67Å; K60-Y113 HydrophobicContact CB-CD1 4.16Å; K60-Y113 HydrophobicContact CB-CE1 3.9Å; K60-Y113 HydrophobicContact CD-CE1 4.39Å; K60-Y113 HydrophobicContact CG-CD1 4.37Å; K60-Y113 HydrophobicContact CG-CE1 3.82Å
61I93.4Very high90Very high36 Ų3654.5 Ų54.519%0.18531%0.307CS..EExtended strand (participates in β ladder)trans-100.2110.2172.4-52.5172.9000107.5C112 K114 Q128I61-C112 WeakPolarHBondContact CA-O 3.38Å; I61-C112 HydrophobicContact CB-CB 4.35Å; I61-C112 VanDerWaalsContact CB-O 3.28Å; I61-C112 WeakPolarHBondContact CB-O 3.49Å; I61-C112 HydrophobicContact CD1-CB 4.13Å; I61-C112 WeakPolarHBondContact CG1-O 3.45Å; I61-C112 PolarHBondContact N-O 2.78Å; I61-K114 HydrophobicContact CD1-CD 3.86Å; I61-K114 HydrophobicContact CD1-CG 3.98Å; I61-K114 HydrophobicContact CG1-CD 4.5Å; I61-Q128 HydrophobicContact CD1-CG 4.22Å
62Q79.2Confident90.4Very high109 Ų10955.3 Ų55.351%0.50931%0.309SS..EExtended strand (participates in β ladder)trans-131.5107176-168165.65.800107.7
63G76.1Confident90.6Very high71 Ų7149.4 Ų49.473%0.73228%0.278SS*.THydrogen-bonded Turntrans72.1-139.8-168.500000112.6
64S73.9Confident90.5Very high126 Ų12654.2 Ų54.288%0.88130%0.298SS*.THydrogen-bonded Turntrans-87.6-15-171.152.90000115.6
65L83.1Confident90.4Very high137 Ų13756.3 Ų56.372%0.71731%0.306SS*.EExtended strand (participates in β ladder)trans-118.6123.8-174.3-163.373.2000111.6Q67L65-Q67 PolarHBondContact O-N 3.34Å
66P90.9Very high90.3Very high51 Ų5161.5 Ų61.533%0.33132%0.324SS..EExtended strand (participates in β ladder)trans-67.5129.7170.5-18.932.3000111.7Q59Q59-P66 HydrophobicContact CB-CB 4.24Å; Q59-P66 VanDerWaalsContact OE1-CB 3.27Å
67Q94.2Very high90.1Very high94 Ų9462.6 Ų62.644%0.43934%0.336SS..EExtended strand (participates in β ladder)trans-102.4124.9174.9-175.4-177.616.300109.8Q59 K60 L65 I69Q59-Q67 CarbonylContact C-O 3.55Å; Q59-Q67 WeakPolarHBondContact CA-O 3.29Å; K60-Q67 PolarHBondContact N-O 3.02Å; K60-Q67 PolarHBondContact O-N 3Å; L65-Q67 PolarHBondContact O-N 3.34Å; Q67-I69 PolarHBondContact O-N 3.28Å
68N95.1Very high90Very high73 Ų7366.4 Ų66.439%0.3935%0.353SS..EExtended strand (participates in β ladder)trans-64.5130.7170.2-66-12.2000109.8T57 Q59 L81T57-N68 HydrophobicContact CG2-CB 4.5Å; Q59-N68 WeakPolarHBondContact CG-OD1 3.49Å; Q59-N68 PolarHBondContact NE2-OD1 3.46Å; N68-L81 HydrophobicContact CB-CD1 3.93Å; N68-L81 WeakPolarHBondContact O-CD1 3.37Å
69I95.8Very high89.9Confident0 Ų072.8 Ų72.80%038%0.38CS..EExtended strand (participates in β ladder)trans-117.7-23.218058.4175.9000113W58 K60 Q67 L81 Y84 L88 M100 Y113W58-I69 HydrophobicContact CB-CD1 4.39Å; W58-I69 HydrophobicContact CB-CG1 3.92Å; W58-I69 WeakPolarHBondContact O-CG1 3.4Å; W58-I69 PolarHBondContact O-N 3.23Å; K60-I69 HydrophobicContact CB-CD1 4.38Å; K60-I69 HydrophobicContact CB-CG2 3.84Å; Q67-I69 PolarHBondContact O-N 3.28Å; I69-L81 PolarHBondContact O-N 3.45Å; I69-Y84 HydrophobicContact CB-CD2 3.76Å; I69-Y84 HydrophobicContact CB-CE2 4.17Å; I69-Y84 HydrophobicContact CB-CG 4.44Å; I69-Y84 HydrophobicContact CG2-CD2 3.63Å; I69-Y84 HydrophobicContact CG2-CE2 3.59Å; I69-L88 HydrophobicContact CB-CD1 4.29Å; I69-L88 HydrophobicContact CD1-CD1 3.8Å; I69-L88 HydrophobicContact CG1-CD1 4.03Å; I69-M100 HydrophobicContact CD1-CE 4.35Å; I69-M100 HydrophobicContact CD1-SD 3.63Å; I69-M100 HydrophobicContact CG1-SD 4.4Å; I69-Y113 HydrophobicContact CD1-CD1 3.63Å; I69-Y113 HydrophobicContact CD1-CE1 3.67Å
70G95.1Very high89.9Confident0 Ų072.9 Ų72.90%038%0.382CS..EExtended strand (participates in β ladder)trans-166.7157.6175.600000112.2W58 K79W58-G70 PolarHBondContact N-O 2.95Å; W58-G70 PolarHBondContact O-N 3.07Å; G70-K79 CarbonylContact C-O 3.5Å; G70-K79 VanDerWaalsContact CA-O 3.3Å; G70-K79 WeakPolarHBondContact CA-O 3.17Å
71T94.4Very high89.9Confident23 Ų2375 Ų7514%0.14139%0.393CS..EExtended strand (participates in β ladder)trans-139.4148.2174.355.10000110.1I56 T57 K79I56-T71 CarbonylContact O-C 3.58Å; I56-T71 VanDerWaalsContact O-CA 3.24Å; I56-T71 WeakPolarHBondContact O-CA 3.48Å; T57-T71 HydrophobicContact CG2-CG2 3.95Å; T71-K79 PolarHBondContact N-O 2.85Å; T71-K79 PolarHBondContact O-N 3.29Å
72Y92.3Very high89.9Confident50 Ų5077.8 Ų77.820%0.19641%0.413CS..EExtended strand (participates in β ladder)trans-130138.2165.4176.8-75.4000110.7Q55 I56 G77 E78 I92 Y98Q55-Y72 CarbonylContact C-O 3.54Å; Q55-Y72 WeakPolarHBondContact CA-O 3.48Å; Q55-Y72 VanDerWaalsContact CG-O 3.25Å; Q55-Y72 WeakPolarHBondContact CG-O 3.5Å; I56-Y72 PolarHBondContact N-O 2.92Å; I56-Y72 PolarHBondContact O-N 3.46Å; Y72-G77 WeakPolarHBondContact CA-O 3.31Å; Y72-E78 HydrophobicContact CD2-CB 4.28Å; Y72-I92 HydrophobicContact CD1-CD1 3.42Å; Y72-I92 VanDerWaalsContact CD1-CD1 3.42Å; Y72-I92 HydrophobicContact CD2-CD1 4.08Å; Y72-I92 HydrophobicContact CE1-CD1 3.1Å; Y72-I92 HydrophobicContact CE1-CG1 4.5Å; Y72-I92 HydrophobicContact CE2-CD1 3.78Å; Y72-I92 HydrophobicContact CG-CD1 3.92Å; Y72-Y98 HydrophobicContact CD1-CE1 4.17Å
73S90.4Very high90.5Very high8 Ų876.9 Ų76.96%0.05642%0.417CS..EExtended strand (participates in β ladder)trans-136.5153164.363.40000110.6E54 K75 Y76 G77E54-S73 VanDerWaalsContact O-CB 3.23Å; E54-S73 WeakPolarHBondContact O-CB 3.46Å; S73-K75 PolarHBondContact O-N 3.4Å; S73-Y76 PolarHBondContact O-N 2.95Å; S73-Y76 WeakPolarHBondContact OG-CB 3.18Å; S73-Y76 WeakPolarHBondContact OG-CD2 3.46Å; S73-Y76 PolarHBondContact OG-N 3.29Å; S73-Y76 VanDerWaalsContact OG-N 3.11Å; S73-G77 PolarHBondContact N-O 3.07Å; S73-G77 VanDerWaalsContact N-O 3.11Å; S73-G77 VanDerWaalsContact O-CA 3.31Å; S73-G77 WeakPolarHBondContact O-CA 3.14Å; S73-G77 PolarHBondContact O-N 3.25Å
74H86.1Confident91.3Very high125 Ų12573.7 Ų73.758%0.57938%0.383SS*.THydrogen-bonded Turntrans-60.5-28.3175.7-75.8-72.2000113.2
75K89.3Confident92.3Very high163 Ų16371 Ų7171%0.70936%0.361SS*.THydrogen-bonded Turntrans-82.4-37.3-177.2-172.9177.8178.1-166.30113.9S73S73-K75 PolarHBondContact O-N 3.4Å
76Y90.5Very high92.7Very high172 Ų17271.8 Ų71.868%0.67537%0.366SS*.THydrogen-bonded Turntrans-114.4-2.9-173.7-52.4-65.2000113.8S73S73-Y76 PolarHBondContact O-N 2.95Å; S73-Y76 WeakPolarHBondContact OG-CB 3.18Å; S73-Y76 WeakPolarHBondContact OG-CD2 3.46Å; S73-Y76 PolarHBondContact OG-N 3.29Å; S73-Y76 VanDerWaalsContact OG-N 3.11Å
77G89.9Confident92.9Very high25 Ų2572.5 Ų72.526%0.25836%0.362SS..EExtended strand (participates in β ladder)trans69.8-154.5-176.600000112.9Y72 S73Y72-G77 WeakPolarHBondContact CA-O 3.31Å; S73-G77 PolarHBondContact N-O 3.07Å; S73-G77 VanDerWaalsContact N-O 3.11Å; S73-G77 VanDerWaalsContact O-CA 3.31Å; S73-G77 WeakPolarHBondContact O-CA 3.14Å; S73-G77 PolarHBondContact O-N 3.25Å
78E92.3Very high92.9Very high90 Ų9068.2 Ų68.242%0.42134%0.342SS..EExtended strand (participates in β ladder)trans-79.7140.3175.6177.6-179-130.400111.7Y72 I80 Q89 C90Y72-E78 HydrophobicContact CD2-CB 4.28Å; E78-I80 HydrophobicContact CG-CD1 3.57Å; E78-I80 HydrophobicContact CG-CG1 3.77Å; E78-I80 WeakPolarHBondContact OE1-CD1 3.33Å; E78-Q89 WeakPolarHBondContact OE1-CA 3.46Å; E78-C90 HydrophobicContact CG-CB 4.28Å; E78-C90 WeakPolarHBondContact OE1-CB 3.38Å; E78-C90 PolarHBondContact OE1-N 2.97Å
79K94.3Very high92.7Very high134 Ų13468.2 Ų68.258%0.58334%0.34SS*.EExtended strand (participates in β ladder)trans-138.1112.4168.4177.6-178.7-179.31790109.8G70 T71G70-K79 CarbonylContact C-O 3.5Å; G70-K79 VanDerWaalsContact CA-O 3.3Å; G70-K79 WeakPolarHBondContact CA-O 3.17Å; T71-K79 PolarHBondContact N-O 2.85Å; T71-K79 PolarHBondContact O-N 3.29Å
80I95.9Very high92.4Very high33 Ų3369 Ų6917%0.16935%0.346CS..EExtended strand (participates in β ladder)trans-100.8142.8179.2-54.9-44.6000110.5E78 Y84 L88E78-I80 HydrophobicContact CG-CD1 3.57Å; E78-I80 HydrophobicContact CG-CG1 3.77Å; E78-I80 WeakPolarHBondContact OE1-CD1 3.33Å; I80-Y84 WeakPolarHBondContact CG2-O 3.47Å; I80-L88 HydrophobicContact CD1-CD2 3.54Å; I80-L88 HydrophobicContact CG1-CD2 4.28Å; I80-L88 HydrophobicContact CG2-CB 4.12Å
81L95.1Very high91.8Very high56 Ų5674.1 Ų74.129%0.29337%0.368SS..  trans-107.8149.4-177.2-60.4175.4000111.2N68 I69 Y84N68-L81 HydrophobicContact CB-CD1 3.93Å; N68-L81 WeakPolarHBondContact O-CD1 3.37Å; I69-L81 PolarHBondContact O-N 3.45Å; L81-Y84 WeakPolarHBondContact O-CB 3.44Å; L81-Y84 PolarHBondContact O-N 2.89Å
82P93.5Very high91.2Very high93 Ų9375.6 Ų75.660%0.60437%0.374SS*.THydrogen-bonded Turntrans-57.5145.2172.4-24.734.9000112.2V85P82-V85 HydrophobicContact CG-CG2 4.13Å
83P92.3Very high90.4Very high90 Ų9079.6 Ų79.658%0.58440%0.398SS*.THydrogen-bonded Turncis-87.611.3436.7-37.5000114.4V85P83-V85 PolarHBondContact O-N 3.11Å
84Y94Very high89.5Confident4 Ų484.5 Ų84.52%0.01642%0.42CS..  trans-86.2-3.1-170.5-72.6-77.9000115.3I69 I80 L81 N86 R87 L88 I102 D109I69-Y84 HydrophobicContact CB-CD2 3.76Å; I69-Y84 HydrophobicContact CB-CE2 4.17Å; I69-Y84 HydrophobicContact CB-CG 4.44Å; I69-Y84 HydrophobicContact CG2-CD2 3.63Å; I69-Y84 HydrophobicContact CG2-CE2 3.59Å; I80-Y84 WeakPolarHBondContact CG2-O 3.47Å; L81-Y84 WeakPolarHBondContact O-CB 3.44Å; L81-Y84 PolarHBondContact O-N 2.89Å; Y84-N86 PolarHBondContact O-N 2.74Å; Y84-R87 PolarHBondContact O-N 2.97Å; Y84-L88 HydrophobicContact CD1-CB 4.19Å; Y84-L88 HydrophobicContact CD1-CD1 3.94Å; Y84-L88 HydrophobicContact CG-CB 4.35Å; Y84-L88 HydrophobicContact CG-CD1 3.86Å; Y84-L88 PolarHBondContact O-N 2.84Å; Y84-I102 HydrophobicContact CE1-CD1 4.36Å; Y84-I102 HydrophobicContact CE1-CG2 4.42Å; Y84-D109 WeakPolarHBondContact CE1-OD1 3.33Å; Y84-D109 PolarHBondContact OH-OD1 3.24Å
85V93.5Very high88.8Confident69 Ų6983.6 Ų83.642%0.41843%0.426SS..THydrogen-bonded Turntrans-52.9132.9175.8-176.90000110P82 P83 R87P82-V85 HydrophobicContact CG-CG2 4.13Å; P83-V85 PolarHBondContact O-N 3.11Å; V85-R87 PolarHBondContact O-N 2.76Å; V85-R87 VanDerWaalsContact O-N 3.11Å
86N91.9Very high88.1Confident155 Ų15577.5 Ų77.583%0.82940%0.403SS*.THydrogen-bonded Turntrans64.8-5.5-174-49.7-35.4000116.7Y84Y84-N86 PolarHBondContact O-N 2.74Å
87R94.6Very high87.9Confident65 Ų6569.5 Ų69.525%0.24537%0.373CS..THydrogen-bonded Turntrans-107.7-28.8177.6-68.4-178.465-134.91113.8Y84 V85 Q103 G104 D109Y84-R87 PolarHBondContact O-N 2.97Å; V85-R87 PolarHBondContact O-N 2.76Å; V85-R87 VanDerWaalsContact O-N 3.11Å; R87-Q103 PolarHBondContact NE-O 2.78Å; R87-Q103 PolarHBondContact NH2-O 2.9Å; R87-Q103 WeakPolarHBondContact O-CB 3.5Å; R87-Q103 PolarHBondContact O-N 3.16Å; R87-G104 PolarHBondContact NH2-O 3.1Å; R87-D109 IonicContact CZ-OD2 3.4Å; R87-D109 IonicContact NH1-OD1 2.73Å; R87-D109 PolarHBondContact NH1-OD1 2.92Å; R87-D109 IonicContact NH1-OD2 2.7Å; R87-D109 IonicContact NH2-OD1 2.75Å; R87-D109 IonicContact NH2-OD2 2.67Å; R87-D109 PolarHBondContact NH2-OD2 2.9Å
88L93.6Very high87.9Confident5 Ų568.6 Ų68.63%0.02636%0.362CS..EExtended strand (participates in β ladder)trans-106.6138.5-177.4-171168.4000110.2I69 I80 Y84 M100 T101 I102I69-L88 HydrophobicContact CB-CD1 4.29Å; I69-L88 HydrophobicContact CD1-CD1 3.8Å; I69-L88 HydrophobicContact CG1-CD1 4.03Å; I80-L88 HydrophobicContact CD1-CD2 3.54Å; I80-L88 HydrophobicContact CG1-CD2 4.28Å; I80-L88 HydrophobicContact CG2-CB 4.12Å; Y84-L88 HydrophobicContact CD1-CB 4.19Å; Y84-L88 HydrophobicContact CD1-CD1 3.94Å; Y84-L88 HydrophobicContact CG-CB 4.35Å; Y84-L88 HydrophobicContact CG-CD1 3.86Å; Y84-L88 PolarHBondContact O-N 2.84Å; L88-M100 HydrophobicContact CD1-CG 4.01Å; L88-M100 HydrophobicContact CD1-SD 3.71Å; L88-M100 HydrophobicContact CD2-CG 3.7Å; L88-M100 HydrophobicContact CD2-SD 4.35Å; L88-M100 HydrophobicContact CG-CG 3.72Å; L88-M100 HydrophobicContact CG-SD 4.13Å; L88-T101 CarbonylContact C-O 3.57Å; L88-T101 VanDerWaalsContact CA-O 3.28Å; L88-T101 WeakPolarHBondContact CA-O 3.46Å; L88-I102 HydrophobicContact CG-CG1 4.45Å
89Q92.3Very high87.9Confident72 Ų7266.5 Ų66.534%0.33635%0.351SS..EExtended strand (participates in β ladder)trans-131129.2174.8-64.7-177.7-16.600110.8E78 K91 M100 T101 Q103E78-Q89 WeakPolarHBondContact OE1-CA 3.46Å; Q89-K91 VanDerWaalsContact OE1-CE 3.31Å; Q89-M100 CarbonylContact O-C 3.56Å; Q89-M100 WeakPolarHBondContact O-CA 3.25Å; Q89-T101 PolarHBondContact N-O 2.81Å; Q89-T101 PolarHBondContact O-N 3.08Å; Q89-Q103 VanDerWaalsContact CD-NE2 3.34Å
90C88.8Confident88Confident18 Ų1860.1 Ų60.112%0.12232%0.323CS..EExtended strand (participates in β ladder)trans-94.7118.3171-680000109.6W58 E78 F99W58-C90 VanDerWaalsContact CD1-SG 3.6Å; E78-C90 HydrophobicContact CG-CB 4.28Å; E78-C90 WeakPolarHBondContact OE1-CB 3.38Å; E78-C90 PolarHBondContact OE1-N 2.97Å; C90-F99 CarbonylContact C-O 3.54Å; C90-F99 WeakPolarHBondContact CA-O 3.25Å
91K82.8Confident88Confident106 Ų10659.1 Ų59.146%0.46132%0.319SS..EExtended strand (participates in β ladder)trans-117.5151.4178.6-68.4178.5-177.5169.40111Q89 Y98 F99Q89-K91 VanDerWaalsContact OE1-CE 3.31Å; K91-Y98 WeakPolarHBondContact O-CA 3.35Å; K91-F99 HydrophobicContact CB-CB 4.39Å; K91-F99 PolarHBondContact N-O 3.09Å; K91-F99 PolarHBondContact O-N 3.44Å
92I82.7Confident88.1Confident55 Ų5556.5 Ų56.528%0.28231%0.305SS..EExtended strand (participates in β ladder)trans-126.8127.1180-55.3-179.7000107Y72 E94 Y98Y72-I92 HydrophobicContact CD1-CD1 3.42Å; Y72-I92 VanDerWaalsContact CD1-CD1 3.42Å; Y72-I92 HydrophobicContact CD2-CD1 4.08Å; Y72-I92 HydrophobicContact CE1-CD1 3.1Å; Y72-I92 HydrophobicContact CE1-CG1 4.5Å; Y72-I92 HydrophobicContact CE2-CD1 3.78Å; Y72-I92 HydrophobicContact CG-CD1 3.92Å; I92-E94 WeakPolarHBondContact CG2-O 3.43Å; I92-Y98 HydrophobicContact CD1-CD1 3.85Å; I92-Y98 HydrophobicContact CD1-CE1 3.43Å; I92-Y98 VanDerWaalsContact CD1-CE1 3.43Å; I92-Y98 HydrophobicContact CG1-CD1 3.62Å; I92-Y98 HydrophobicContact CG1-CE1 3.72Å; I92-Y98 HydrophobicContact CG2-CE1 4.41Å
93L73.8Confident88.2Confident133 Ų13355.1 Ų55.170%0.69629%0.291SS*.EExtended strand (participates in β ladder)trans-105-35.4175.9-89.2155.3000111A97 F99L93-A97 PolarHBondContact N-O 3.33Å; L93-A97 VanDerWaalsContact N-O 3.11Å; L93-F99 HydrophobicContact CB-CE2 4.08Å; L93-F99 HydrophobicContact CD1-CD2 3.83Å; L93-F99 HydrophobicContact CD1-CE1 4.48Å; L93-F99 HydrophobicContact CD1-CE2 3.36Å; L93-F99 HydrophobicContact CD1-CZ 3.71Å; L93-F99 HydrophobicContact CG-CE2 4.23Å
94E71.3Confident88.4Confident111 Ų11152.2 Ų52.252%0.51928%0.277SS..EExtended strand (participates in β ladder)trans-142.1160.5177.1-57.9175.6161.100108.6I92 S96 A97I92-E94 WeakPolarHBondContact CG2-O 3.43Å; E94-S96 PolarHBondContact O-N 3.47Å; E94-A97 HydrophobicContact CB-CB 3.87Å; E94-A97 HydrophobicContact CG-CB 4.36Å; E94-A97 PolarHBondContact O-N 2.86Å
95P72.6Confident88.6Confident107 Ų10752 Ų5270%0.69528%0.276SS*.THydrogen-bonded Turntrans-54.5-24.2180-27.536000115Y98P95-Y98 WeakPolarHBondContact O-CE2 3.3Å; P95-Y98 PolarHBondContact O-OH 3.29Å
96S74.8Confident88.7Confident34 Ų3451.4 Ų51.424%0.23827%0.273CS..THydrogen-bonded Turntrans-98.2-17.7175.847.40000114.4N46 F47 E94N46-S96 CarbonylContact C-O 3.57Å; N46-S96 VanDerWaalsContact CA-O 3.23Å; N46-S96 WeakPolarHBondContact CA-O 3.39Å; F47-S96 PolarHBondContact N-O 2.69Å; F47-S96 WeakPolarHBondContact O-CB 3.29Å; E94-S96 PolarHBondContact O-N 3.47Å
97A86.2Confident88.9Confident4 Ų446 Ų463%0.03324%0.242CC..EExtended strand (participates in β ladder)trans-113108.9-165.800000113.1F44 N46 L93 E94 F99F44-A97 HydrophobicContact CE2-CB 4.22Å; N46-A97 HydrophobicContact CB-CB 4.36Å; L93-A97 PolarHBondContact N-O 3.33Å; L93-A97 VanDerWaalsContact N-O 3.11Å; E94-A97 HydrophobicContact CB-CB 3.87Å; E94-A97 HydrophobicContact CG-CB 4.36Å; E94-A97 PolarHBondContact O-N 2.86Å; A97-F99 HydrophobicContact CB-CE2 4.4Å
98Y90.6Very high88.9Confident6 Ų648.8 Ų48.82%0.02426%0.258CS..EExtended strand (participates in β ladder)trans-121.8144.5-172.4-62.5-106.5000111.4C45 I56 Y72 K91 I92 P95 F117C45-Y98 PolarHBondContact N-O 3.41Å; C45-Y98 PolarHBondContact O-N 2.88Å; C45-Y98 VanDerWaalsContact O-O 3.06Å; I56-Y98 HydrophobicContact CB-CD1 4.22Å; I56-Y98 HydrophobicContact CB-CE1 4.45Å; I56-Y98 VanDerWaalsContact CD1-CB 3.46Å; I56-Y98 HydrophobicContact CD1-CD1 4.12Å; I56-Y98 HydrophobicContact CD1-CD2 4.29Å; I56-Y98 HydrophobicContact CD1-CG 3.71Å; I56-Y98 HydrophobicContact CG2-CD1 3.54Å; I56-Y98 HydrophobicContact CG2-CE1 3.87Å; I56-Y98 HydrophobicContact CG2-CG 4.24Å; Y72-Y98 HydrophobicContact CD1-CE1 4.17Å; K91-Y98 WeakPolarHBondContact O-CA 3.35Å; I92-Y98 HydrophobicContact CD1-CD1 3.85Å; I92-Y98 HydrophobicContact CD1-CE1 3.43Å; I92-Y98 VanDerWaalsContact CD1-CE1 3.43Å; I92-Y98 HydrophobicContact CG1-CD1 3.62Å; I92-Y98 HydrophobicContact CG1-CE1 3.72Å; I92-Y98 HydrophobicContact CG2-CE1 4.41Å; P95-Y98 WeakPolarHBondContact O-CE2 3.3Å; P95-Y98 PolarHBondContact O-OH 3.29Å; Y98-F117 HydrophobicContact CD2-CD1 4.49Å; Y98-F117 AromaticContact CD2-CE1 3.44Å; Y98-F117 HydrophobicContact CD2-CE1 3.44Å; Y98-F117 VanDerWaalsContact CD2-CE1 3.44Å; Y98-F117 HydrophobicContact CD2-CZ 4Å; Y98-F117 HydrophobicContact CE2-CD1 4.43Å; Y98-F117 AromaticContact CE2-CE1 3.7Å; Y98-F117 HydrophobicContact CE2-CE1 3.7Å; Y98-F117 HydrophobicContact CG-CE1 4.29Å
99F92.4Very high89Confident46 Ų4648.6 Ų48.620%0.20226%0.257CS..EExtended strand (participates in β ladder)trans-132138.8-175.6-65.8-104.4000110I43 F44 C90 K91 L93 A97I43-F99 CarbonylContact O-C 3.55Å; I43-F99 WeakPolarHBondContact O-CA 3.41Å; F44-F99 HydrophobicContact CB-CD1 3.9Å; F44-F99 HydrophobicContact CB-CE1 3.72Å; F44-F99 HydrophobicContact CB-CZ 4.39Å; F44-F99 HydrophobicContact CD2-CD1 4Å; F44-F99 HydrophobicContact CD2-CD2 4.18Å; F44-F99 AromaticContact CD2-CE1 3.41Å; F44-F99 HydrophobicContact CD2-CE1 3.41Å; F44-F99 VanDerWaalsContact CD2-CE1 3.41Å; F44-F99 AromaticContact CD2-CE2 3.57Å; F44-F99 HydrophobicContact CD2-CE2 3.57Å; F44-F99 HydrophobicContact CD2-CG 4.37Å; F44-F99 AromaticContact CD2-CZ 3.17Å; F44-F99 HydrophobicContact CD2-CZ 3.17Å; F44-F99 HydrophobicContact CE2-CE1 4.28Å; F44-F99 AromaticContact CE2-CE2 3.87Å; F44-F99 HydrophobicContact CE2-CE2 3.87Å; F44-F99 AromaticContact CE2-CZ 3.61Å; F44-F99 HydrophobicContact CE2-CZ 3.61Å; F44-F99 HydrophobicContact CG-CD1 4.41Å; F44-F99 AromaticContact CG-CE1 3.87Å; F44-F99 HydrophobicContact CG-CE1 3.87Å; F44-F99 HydrophobicContact CG-CZ 4.05Å; C90-F99 CarbonylContact C-O 3.54Å; C90-F99 WeakPolarHBondContact CA-O 3.25Å; K91-F99 HydrophobicContact CB-CB 4.39Å; K91-F99 PolarHBondContact N-O 3.09Å; K91-F99 PolarHBondContact O-N 3.44Å; L93-F99 HydrophobicContact CB-CE2 4.08Å; L93-F99 HydrophobicContact CD1-CD2 3.83Å; L93-F99 HydrophobicContact CD1-CE1 4.48Å; L93-F99 HydrophobicContact CD1-CE2 3.36Å; L93-F99 HydrophobicContact CD1-CZ 3.71Å; L93-F99 HydrophobicContact CG-CE2 4.23Å; A97-F99 HydrophobicContact CB-CE2 4.4Å
100M94.6Very high89.1Confident0 Ų048.6 Ų48.60%026%0.257CS..EExtended strand (participates in β ladder)trans-114109.3169.4177.6-174.36800109S42 I43 W58 I69 L88 Q89 I102 Y113S42-M100 CarbonylContact C-O 3.59Å; S42-M100 WeakPolarHBondContact CA-O 3.43Å; I43-M100 HydrophobicContact CB-CE 4.14Å; I43-M100 HydrophobicContact CD1-CE 3.78Å; I43-M100 HydrophobicContact CG1-CE 4.26Å; I43-M100 PolarHBondContact N-O 3.04Å; I43-M100 PolarHBondContact O-N 3.5Å; W58-M100 HydrophobicContact CB-SD 3.83Å; W58-M100 HydrophobicContact CD2-CB 3.64Å; W58-M100 HydrophobicContact CD2-CE 4.45Å; W58-M100 HydrophobicContact CD2-CG 4.2Å; W58-M100 HydrophobicContact CD2-SD 3.78Å; W58-M100 HydrophobicContact CE3-CB 3.82Å; W58-M100 HydrophobicContact CE3-CE 3.8Å; W58-M100 HydrophobicContact CE3-CG 4.39Å; W58-M100 HydrophobicContact CE3-SD 3.72Å; W58-M100 HydrophobicContact CG-CB 4.24Å; W58-M100 HydrophobicContact CG-CG 4.39Å; W58-M100 HydrophobicContact CG-SD 3.83Å; W58-M100 HydrophobicContact CH2-CB 3.88Å; W58-M100 HydrophobicContact CZ2-CB 3.72Å; W58-M100 HydrophobicContact CZ3-CB 3.93Å; W58-M100 HydrophobicContact CZ3-CE 4.15Å; I69-M100 HydrophobicContact CD1-CE 4.35Å; I69-M100 HydrophobicContact CD1-SD 3.63Å; I69-M100 HydrophobicContact CG1-SD 4.4Å; L88-M100 HydrophobicContact CD1-CG 4.01Å; L88-M100 HydrophobicContact CD1-SD 3.71Å; L88-M100 HydrophobicContact CD2-CG 3.7Å; L88-M100 HydrophobicContact CD2-SD 4.35Å; L88-M100 HydrophobicContact CG-CG 3.72Å; L88-M100 HydrophobicContact CG-SD 4.13Å; Q89-M100 CarbonylContact O-C 3.56Å; Q89-M100 WeakPolarHBondContact O-CA 3.25Å; M100-I102 HydrophobicContact CE-CD1 4.07Å; M100-I102 HydrophobicContact CE-CG1 4.36Å; M100-Y113 HydrophobicContact CE-CD1 3.74Å; M100-Y113 HydrophobicContact CE-CE1 4.35Å; M100-Y113 HydrophobicContact CE-CG 3.97Å
101T95.9Very high89.4Confident13 Ų1348.4 Ų48.48%0.0826%0.256CS..EExtended strand (participates in β ladder)trans-91.6122173-55.10000110.1I41 S42 L88 Q89 Q103I41-T101 CarbonylContact O-C 3.58Å; I41-T101 WeakPolarHBondContact O-CA 3.45Å; S42-T101 PolarHBondContact OG-OG1 2.92Å; L88-T101 CarbonylContact C-O 3.57Å; L88-T101 VanDerWaalsContact CA-O 3.28Å; L88-T101 WeakPolarHBondContact CA-O 3.46Å; Q89-T101 PolarHBondContact N-O 2.81Å; Q89-T101 PolarHBondContact O-N 3.08Å; T101-Q103 HydrophobicContact CG2-CG 4.38Å
102I97.1Very high90.1Very high0 Ų045 Ų450%025%0.245CC..EExtended strand (participates in β ladder)trans-101.1126.8168-55.3175.1000107.9N40 I41 Y84 L88 M100 V105 Y113N40-I102 WeakPolarHBondContact CA-O 3.47Å; I41-I102 HydrophobicContact CG2-CB 4.13Å; I41-I102 PolarHBondContact N-O 3.05Å; I41-I102 PolarHBondContact O-N 3.36Å; Y84-I102 HydrophobicContact CE1-CD1 4.36Å; Y84-I102 HydrophobicContact CE1-CG2 4.42Å; L88-I102 HydrophobicContact CG-CG1 4.45Å; M100-I102 HydrophobicContact CE-CD1 4.07Å; M100-I102 HydrophobicContact CE-CG1 4.36Å; I102-V105 HydrophobicContact CB-CG1 4.29Å; I102-V105 HydrophobicContact CG2-CG1 4.05Å; I102-Y113 HydrophobicContact CD1-CE1 4.01Å
103Q96.9Very high90.7Very high65 Ų6542.4 Ų42.430%0.30423%0.232SC..PPolyproline II helixtrans-99.4141-179.9-59-17615.400112.2N40 R87 Q89 T101N40-Q103 WeakPolarHBondContact OD1-CA 3.49Å; R87-Q103 PolarHBondContact NE-O 2.78Å; R87-Q103 PolarHBondContact NH2-O 2.9Å; R87-Q103 WeakPolarHBondContact O-CB 3.5Å; R87-Q103 PolarHBondContact O-N 3.16Å; Q89-Q103 VanDerWaalsContact CD-NE2 3.34Å; T101-Q103 HydrophobicContact CG2-CG 4.38Å
104G96.8Very high91.7Very high28 Ų2839.2 Ų39.229%0.28921%0.212SC..SBendtrans5660.2179.800000111.8G39 N40 R87G39-G104 CarbonylContact O-C 3.5Å; G39-G104 WeakPolarHBondContact O-CA 3.34Å; G39-G104 PolarHBondContact O-N 3.3Å; G39-G104 VanDerWaalsContact O-N 3.12Å; N40-G104 PolarHBondContact OD1-N 3.09Å; R87-G104 PolarHBondContact NH2-O 3.1Å
105V97.3Very high92.9Very high1 Ų134 Ų341%0.00619%0.188CC..  trans-61.9141.9-174.7-61.70000112.1A35 V36 G38 G39 I41 I102 I133A35-V105 HydrophobicContact CB-CG1 4.41Å; A35-V105 HydrophobicContact CB-CG2 3.86Å; V36-V105 WeakPolarHBondContact O-CG2 3.32Å; G38-V105 PolarHBondContact N-O 3.33Å; G39-V105 PolarHBondContact O-N 3.42Å; I41-V105 HydrophobicContact CB-CG1 4.45Å; I41-V105 HydrophobicContact CG2-CG1 3.62Å; I102-V105 HydrophobicContact CB-CG1 4.29Å; I102-V105 HydrophobicContact CG2-CG1 4.05Å; V105-I133 HydrophobicContact CB-CD1 3.88Å; V105-I133 HydrophobicContact CG2-CD1 3.81Å
106T96.4Very high93.9Very high56 Ų5630.4 Ų30.434%0.34416%0.163SC..  trans-122165.9179.466.20000109.8E108 D109 I133T106-E108 PolarHBondContact O-N 3.17Å; T106-D109 PolarHBondContact N-OD2 3.49Å; T106-D109 WeakPolarHBondContact O-CB 3.5Å; T106-D109 PolarHBondContact O-N 3.22Å; T106-D109 PolarHBondContact OG1-OD2 3.37Å; T106-I133 WeakPolarHBondContact O-CG1 3.41Å
107F96.1Very high94.8Very high41 Ų4128.8 Ų28.818%0.1815%0.152CC..G310 helixtrans-59.2-26.3175-64.2-69.4000113.5L37 D109 E110 I133 T135 K162 N188 T190L37-F107 HydrophobicContact CD1-CD2 3.91Å; L37-F107 HydrophobicContact CD1-CE1 4.47Å; L37-F107 HydrophobicContact CD1-CE2 3.81Å; L37-F107 HydrophobicContact CD1-CG 4.32Å; L37-F107 HydrophobicContact CD1-CZ 4.11Å; L37-F107 HydrophobicContact CD2-CE2 3.69Å; L37-F107 HydrophobicContact CD2-CZ 3.86Å; L37-F107 HydrophobicContact CG-CE2 4.39Å; F107-D109 PolarHBondContact O-N 2.87Å; F107-E110 WeakPolarHBondContact O-CB 3.33Å; F107-E110 PolarHBondContact O-N 3.37Å; F107-E110 VanDerWaalsContact O-N 3.12Å; F107-I133 HydrophobicContact CD1-CB 4.02Å; F107-I133 HydrophobicContact CD1-CG2 3.98Å; F107-I133 HydrophobicContact CE1-CB 4.33Å; F107-I133 HydrophobicContact CE1-CG2 3.99Å; F107-T135 HydrophobicContact CE1-CG2 4.45Å; F107-T135 HydrophobicContact CZ-CG2 3.93Å; F107-K162 HydrophobicContact CD1-CD 4.49Å; F107-K162 HydrophobicContact CE1-CD 3.96Å; F107-N188 HydrophobicContact CB-CB 4.03Å; F107-N188 HydrophobicContact CD1-CB 3.83Å; F107-N188 HydrophobicContact CD2-CB 3.64Å; F107-N188 WeakPolarHBondContact CD2-ND2 3.03Å; F107-N188 HydrophobicContact CE1-CB 4.12Å; F107-N188 HydrophobicContact CE2-CB 3.92Å; F107-N188 HydrophobicContact CG-CB 3.56Å; F107-N188 HydrophobicContact CZ-CB 4.15Å; F107-T190 HydrophobicContact CE1-CG2 4.21Å; F107-T190 HydrophobicContact CZ-CG2 3.78Å
108E94Very high95.1Very high123 Ų12330.9 Ų30.958%0.57516%0.162SC*.G310 helixtrans-67-20.4172.9-65.1-57.9143.900113.1K60 T106 E110K60-E108 WeakPolarHBondContact CE-O 3.5Å; K60-E108 PolarHBondContact NZ-O 2.75Å; T106-E108 PolarHBondContact O-N 3.17Å; E108-E110 VanDerWaalsContact C-N 3.27Å
109D95.1Very high95.2Very high2 Ų231 Ų311%0.01116%0.164CC..G310 helixtrans-83.4-2.3175.4-54.1-63.1000112.2Y84 R87 T106 F107 A111 Y113Y84-D109 WeakPolarHBondContact CE1-OD1 3.33Å; Y84-D109 PolarHBondContact OH-OD1 3.24Å; R87-D109 IonicContact CZ-OD2 3.4Å; R87-D109 IonicContact NH1-OD1 2.73Å; R87-D109 PolarHBondContact NH1-OD1 2.92Å; R87-D109 IonicContact NH1-OD2 2.7Å; R87-D109 IonicContact NH2-OD1 2.75Å; R87-D109 IonicContact NH2-OD2 2.67Å; R87-D109 PolarHBondContact NH2-OD2 2.9Å; T106-D109 PolarHBondContact N-OD2 3.49Å; T106-D109 WeakPolarHBondContact O-CB 3.5Å; T106-D109 PolarHBondContact O-N 3.22Å; T106-D109 PolarHBondContact OG1-OD2 3.37Å; F107-D109 PolarHBondContact O-N 2.87Å; D109-A111 PolarHBondContact O-N 2.85Å; D109-A111 VanDerWaalsContact O-N 3.12Å; D109-Y113 WeakPolarHBondContact CA-OH 3.3Å; D109-Y113 WeakPolarHBondContact O-CE2 3.36Å; D109-Y113 PolarHBondContact O-OH 2.83Å
110E95.3Very high94.8Very high72 Ų7236.8 Ų36.834%0.33619%0.189SC..  trans-69.5101.1171.9-172.5149136.100110.8F107 E108 I133 K162F107-E110 WeakPolarHBondContact O-CB 3.33Å; F107-E110 PolarHBondContact O-N 3.37Å; F107-E110 VanDerWaalsContact O-N 3.12Å; E108-E110 VanDerWaalsContact C-N 3.27Å; E110-I133 HydrophobicContact CB-CG1 4.16Å; E110-I133 PolarHBondContact OE2-N 3.41Å; E110-K162 IonicContact OE1-NZ 3.62Å; E110-K162 PolarHBondContact OE1-NZ 2.91Å; E110-K162 IonicContact OE2-NZ 2.81Å; E110-K162 PolarHBondContact OE2-NZ 2.84Å
111A95.6Very high94.6Very high13 Ų1341.1 Ų41.111%0.10722%0.217CC..SBendtrans-162.5169.1-17600000111.4K60 D109 Y113 L131K60-A111 HydrophobicContact CD-CB 4.22Å; K60-A111 HydrophobicContact CG-CB 3.67Å; D109-A111 PolarHBondContact O-N 2.85Å; D109-A111 VanDerWaalsContact O-N 3.12Å; A111-Y113 HydrophobicContact CB-CE2 3.95Å; A111-Y113 WeakPolarHBondContact O-CD2 3.41Å; A111-Y113 WeakPolarHBondContact O-CE2 3.5Å; A111-L131 PolarHBondContact N-O 3.49Å; A111-L131 PolarHBondContact O-N 3Å
112C95.8Very high94.1Very high34 Ų3446 Ų4623%0.2324%0.239CC..EExtended strand (participates in β ladder)trans-87.3131.2162.7-59.90000110.2I61 Q128 C130I61-C112 WeakPolarHBondContact CA-O 3.38Å; I61-C112 HydrophobicContact CB-CB 4.35Å; I61-C112 VanDerWaalsContact CB-O 3.28Å; I61-C112 WeakPolarHBondContact CB-O 3.49Å; I61-C112 HydrophobicContact CD1-CB 4.13Å; I61-C112 WeakPolarHBondContact CG1-O 3.45Å; I61-C112 PolarHBondContact N-O 2.78Å; C112-Q128 HydrophobicContact CB-CG 4.09Å; C112-C130 HydrophobicContact CB-CB 4.13Å; C112-C130 WeakPolarHBondContact CB-SG 3.41Å; C112-C130 WeakPolarHBondContact SG-CB 3.42Å; C112-C130 CovalentContact SG-SG 2.05Å; C112-C130 PolarHBondContact SG-SG 2.83Å
113Y96.3Very high93.8Very high1 Ų147.8 Ų47.80%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-109.6136.2179.6-66.2-89.6000109.6I43 Q59 K60 I69 M100 I102 D109 A111 Q128 T129 L131I43-Y113 HydrophobicContact CD1-CD2 3.65Å; I43-Y113 HydrophobicContact CD1-CE2 4.4Å; I43-Y113 HydrophobicContact CD1-CG 3.89Å; Q59-Y113 CarbonylContact O-C 3.53Å; Q59-Y113 WeakPolarHBondContact O-CA 3.24Å; K60-Y113 HydrophobicContact CB-CD1 4.16Å; K60-Y113 HydrophobicContact CB-CE1 3.9Å; K60-Y113 HydrophobicContact CD-CE1 4.39Å; K60-Y113 HydrophobicContact CG-CD1 4.37Å; K60-Y113 HydrophobicContact CG-CE1 3.82Å; I69-Y113 HydrophobicContact CD1-CD1 3.63Å; I69-Y113 HydrophobicContact CD1-CE1 3.67Å; M100-Y113 HydrophobicContact CE-CD1 3.74Å; M100-Y113 HydrophobicContact CE-CE1 4.35Å; M100-Y113 HydrophobicContact CE-CG 3.97Å; I102-Y113 HydrophobicContact CD1-CE1 4.01Å; D109-Y113 WeakPolarHBondContact CA-OH 3.3Å; D109-Y113 WeakPolarHBondContact O-CE2 3.36Å; D109-Y113 PolarHBondContact O-OH 2.83Å; A111-Y113 HydrophobicContact CB-CE2 3.95Å; A111-Y113 WeakPolarHBondContact O-CD2 3.41Å; A111-Y113 WeakPolarHBondContact O-CE2 3.5Å; Y113-Q128 CarbonylContact O-C 3.54Å; Y113-Q128 WeakPolarHBondContact O-CA 3.44Å; Y113-T129 PolarHBondContact N-O 2.98Å; Y113-T129 PolarHBondContact O-N 2.9Å; Y113-L131 HydrophobicContact CD2-CB 4.11Å; Y113-L131 HydrophobicContact CE2-CB 3.88Å; Y113-L131 HydrophobicContact CE2-CD2 4.03Å
114K95.6Very high93.5Very high66 Ų6647.5 Ų47.529%0.28726%0.262SS..EExtended strand (participates in β ladder)trans-107.1133.4171.8-88.4173.3-178.4176.40110.5W58 Q59 I61 L116 G127 Q128W58-K114 CarbonylContact C-O 3.49Å; W58-K114 WeakPolarHBondContact CA-O 3.2Å; Q59-K114 HydrophobicContact CB-CB 4.24Å; Q59-K114 PolarHBondContact N-O 3.49Å; Q59-K114 PolarHBondContact O-N 3.41Å; I61-K114 HydrophobicContact CD1-CD 3.86Å; I61-K114 HydrophobicContact CD1-CG 3.98Å; I61-K114 HydrophobicContact CG1-CD 4.5Å; K114-L116 HydrophobicContact CB-CD2 4.48Å; K114-G127 VanDerWaalsContact CA-O 3.27Å; K114-G127 WeakPolarHBondContact CA-O 3.15Å; K114-Q128 HydrophobicContact CG-CB 3.99Å; K114-Q128 HydrophobicContact CG-CG 4.14Å
115C95Very high93.3Very high1 Ų147.9 Ų47.91%0.00726%0.257CS..EExtended strand (participates in β ladder)trans-96129.7159.352.80000107.9C45 I56 W58 F117 G126 G127C45-C115 HydrophobicContact CB-CB 3.63Å; C45-C115 WeakPolarHBondContact CB-SG 3.31Å; C45-C115 WeakPolarHBondContact SG-CB 3.46Å; C45-C115 CovalentContact SG-SG 2.02Å; C45-C115 PolarHBondContact SG-SG 2.86Å; I56-C115 HydrophobicContact CD1-CB 4.27Å; W58-C115 HydrophobicContact CD2-CB 4.33Å; W58-C115 HydrophobicContact CE3-CB 3.9Å; W58-C115 HydrophobicContact CH2-CB 3.76Å; W58-C115 HydrophobicContact CZ2-CB 4.16Å; W58-C115 HydrophobicContact CZ3-CB 3.61Å; C115-F117 HydrophobicContact CB-CE2 4.48Å; C115-G126 CarbonylContact O-C 3.55Å; C115-G126 WeakPolarHBondContact O-CA 3.41Å; C115-G127 PolarHBondContact N-O 2.88Å; C115-G127 PolarHBondContact O-N 2.86Å; C115-G127 PolarHBondContact SG-O 2.81Å
116L94.8Very high93Very high32 Ų3250.1 Ų50.117%0.16828%0.28CS..EExtended strand (participates in β ladder)trans-121.6109.1178.8-62.9-177000109.2I56 T57 Q59 K114 N118 H125I56-L116 CarbonylContact C-O 3.6Å; I56-L116 WeakPolarHBondContact CA-O 3.4Å; T57-L116 PolarHBondContact N-O 3.19Å; T57-L116 PolarHBondContact O-N 2.95Å; Q59-L116 VanDerWaalsContact CD-CD1 3.49Å; Q59-L116 HydrophobicContact CG-CD1 4.12Å; K114-L116 HydrophobicContact CB-CD2 4.48Å; L116-N118 PolarHBondContact O-ND2 2.86Å; L116-H125 CarbonylContact C-O 3.51Å; L116-H125 WeakPolarHBondContact CA-O 3.46Å
117F93.4Very high92.8Very high0 Ų047.6 Ų47.60%027%0.265CS..EExtended strand (participates in β ladder)trans-80.2126.5169.1-64.2-96.5000107.6I27 C45 F47 V53 I56 Y98 C115 S124 H125I27-F117 HydrophobicContact CD1-CD2 3.54Å; I27-F117 HydrophobicContact CD1-CE2 4.03Å; I27-F117 HydrophobicContact CG1-CD2 3.85Å; I27-F117 HydrophobicContact CG1-CE2 3.99Å; I27-F117 HydrophobicContact CG2-CE2 4Å; C45-F117 HydrophobicContact CB-CE2 3.85Å; C45-F117 HydrophobicContact CB-CZ 4Å; F47-F117 HydrophobicContact CB-CD1 3.55Å; F47-F117 HydrophobicContact CB-CD2 4.12Å; F47-F117 HydrophobicContact CB-CE1 3.48Å; F47-F117 VanDerWaalsContact CB-CE1 3.48Å; F47-F117 HydrophobicContact CB-CE2 4.08Å; F47-F117 HydrophobicContact CB-CG 3.87Å; F47-F117 HydrophobicContact CB-CZ 3.76Å; F47-F117 HydrophobicContact CD1-CD1 4.35Å; F47-F117 HydrophobicContact CD2-CB 4.28Å; F47-F117 HydrophobicContact CD2-CD2 4.37Å; F47-F117 HydrophobicContact CD2-CG 4.17Å; F47-F117 HydrophobicContact CG-CB 4.33Å; F47-F117 AromaticContact CG-CD1 3.98Å; F47-F117 HydrophobicContact CG-CD1 3.98Å; F47-F117 HydrophobicContact CG-CD2 4.46Å; F47-F117 HydrophobicContact CG-CE1 4.4Å; F47-F117 AromaticContact CG-CG 4Å; F47-F117 HydrophobicContact CG-CG 4Å; V53-F117 HydrophobicContact CG1-CD1 3.93Å; V53-F117 HydrophobicContact CG2-CD1 3.87Å; I56-F117 HydrophobicContact CD1-CE1 4.01Å; I56-F117 HydrophobicContact CD1-CE2 4.24Å; I56-F117 HydrophobicContact CD1-CZ 3.86Å; Y98-F117 HydrophobicContact CD2-CD1 4.49Å; Y98-F117 AromaticContact CD2-CE1 3.44Å; Y98-F117 HydrophobicContact CD2-CE1 3.44Å; Y98-F117 VanDerWaalsContact CD2-CE1 3.44Å; Y98-F117 HydrophobicContact CD2-CZ 4Å; Y98-F117 HydrophobicContact CE2-CD1 4.43Å; Y98-F117 AromaticContact CE2-CE1 3.7Å; Y98-F117 HydrophobicContact CE2-CE1 3.7Å; Y98-F117 HydrophobicContact CG-CE1 4.29Å; C115-F117 HydrophobicContact CB-CE2 4.48Å; F117-S124 CarbonylContact O-C 3.57Å; F117-S124 WeakPolarHBondContact O-CA 3.18Å; F117-S124 PolarHBondContact O-OG 2.85Å; F117-H125 PolarHBondContact N-O 2.84Å; F117-H125 PolarHBondContact O-N 2.83Å
118N92.8Very high92.8Very high48 Ų4849 Ų4926%0.25727%0.272SS..EExtended strand (participates in β ladder)trans-106.8117.2177-53.4-85.7000107.4E54 Q55 T57 L116 G123 S124E54-N118 PolarHBondContact N-O 3.49Å; Q55-N118 WeakPolarHBondContact O-CB 3.36Å; Q55-N118 PolarHBondContact O-N 3.42Å; Q55-N118 PolarHBondContact O-ND2 2.78Å; T57-N118 PolarHBondContact OG1-ND2 3.02Å; L116-N118 PolarHBondContact O-ND2 2.86Å; N118-G123 WeakPolarHBondContact CA-O 3.32Å; N118-S124 PolarHBondContact OD1-OG 2.7Å
119T91.2Very high92.9Very high9 Ų943.2 Ų43.26%0.05525%0.245CC..EExtended strand (participates in β ladder)trans-118150.9178.969.60000109.4F47 E51 N52 V53 G123F47-T119 HydrophobicContact CE1-CG2 3.67Å; F47-T119 HydrophobicContact CZ-CG2 3.75Å; E51-T119 HydrophobicContact CB-CG2 4.01Å; E51-T119 PolarHBondContact OE2-OG1 2.86Å; N52-T119 WeakPolarHBondContact O-CA 3.28Å; N52-T119 WeakPolarHBondContact O-CB 3.45Å; N52-T119 WeakPolarHBondContact O-CG2 3.1Å; V53-T119 HydrophobicContact CG2-CG2 4.44Å; T119-G123 PolarHBondContact N-O 2.83Å; T119-G123 PolarHBondContact O-N 2.75Å
120F85.6Confident92.9Very high168 Ų16844.6 Ų44.674%0.73725%0.254SS*.THydrogen-bonded Turntrans-116134.2173-175.4-93.2000109.7E54E54-F120 HydrophobicContact CG-CB 4.41Å
121P89Confident93Very high91 Ų9141.3 Ų41.359%0.59124%0.239SC*.THydrogen-bonded Turncis-8820.636.3-36.9000115G123P121-G123 VanDerWaalsContact C-N 3.33Å; P121-G123 PolarHBondContact O-N 2.71Å
122H86.9Confident93.1Very high116 Ų11642 Ų4254%0.53724%0.242SC..THydrogen-bonded Turntrans-78.8-6.8-164.3-45.1112.9000116E51E51-H122 WeakPolarHBondContact OE2-CB 3.33Å; E51-H122 IonicContact OE2-CG 3.42Å; E51-H122 IonicContact OE2-ND1 2.91Å; E51-H122 PolarHBondContact OE2-ND1 3.39Å
123G89.8Confident93.2Very high37 Ų3740.4 Ų40.438%0.38123%0.231SC..EExtended strand (participates in β ladder)trans98.9-132.9169.400000112.9N118 T119 P121N118-G123 WeakPolarHBondContact CA-O 3.32Å; T119-G123 PolarHBondContact N-O 2.83Å; T119-G123 PolarHBondContact O-N 2.75Å; P121-G123 VanDerWaalsContact C-N 3.33Å; P121-G123 PolarHBondContact O-N 2.71Å
124S91Very high93.2Very high58 Ų5841 Ų4141%0.40623%0.234SC..EExtended strand (participates in β ladder)trans-123.6134.3-179.6-171.80000112.8F117 N118F117-S124 CarbonylContact O-C 3.57Å; F117-S124 WeakPolarHBondContact O-CA 3.18Å; F117-S124 PolarHBondContact O-OG 2.85Å; N118-S124 PolarHBondContact OD1-OG 2.7Å
125H91.9Very high93.4Very high37 Ų3739.4 Ų39.417%0.17123%0.23CC..EExtended strand (participates in β ladder)trans-112.2134.7173.3-59.6-61.8000108.8R26 I27 F47 E51 L116 F117R26-H125 PolarHBondContact NH1-CE1 2.88Å; R26-H125 PolarHBondContact NH1-NE2 3.44Å; I27-H125 HydrophobicContact CD1-CB 3.79Å; I27-H125 WeakPolarHBondContact CD1-O 3.38Å; F47-H125 HydrophobicContact CD2-CB 4.46Å; F47-H125 HydrophobicContact CE2-CB 3.79Å; F47-H125 AromaticContact CE2-CD2 3.61Å; F47-H125 AromaticContact CE2-CG 3.88Å; F47-H125 AromaticContact CZ-CD2 3.63Å; E51-H125 IonicContact OE1-NE2 3.9Å; E51-H125 IonicContact OE2-NE2 3.7Å; L116-H125 CarbonylContact C-O 3.51Å; L116-H125 WeakPolarHBondContact CA-O 3.46Å; F117-H125 PolarHBondContact N-O 2.84Å; F117-H125 PolarHBondContact O-N 2.83Å
126G91.4Very high93.5Very high48 Ų4839.8 Ų39.850%0.49523%0.232SC..EExtended strand (participates in β ladder)trans-129.8139.5-17400000115.5I27 C115I27-G126 VanDerWaalsContact CD1-CA 3.46Å; I27-G126 VanDerWaalsContact CD1-N 3.26Å; C115-G126 CarbonylContact O-C 3.55Å; C115-G126 WeakPolarHBondContact O-CA 3.41Å
127G93.3Very high93.6Very high2 Ų240.2 Ų40.22%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-112.1153.5166.700000110.7H29 K114 C115H29-G127 VanDerWaalsContact CD2-CA 3.44Å; H29-G127 WeakPolarHBondContact CD2-CA 3.31Å; K114-G127 VanDerWaalsContact CA-O 3.27Å; K114-G127 WeakPolarHBondContact CA-O 3.15Å; C115-G127 PolarHBondContact N-O 2.88Å; C115-G127 PolarHBondContact O-N 2.86Å; C115-G127 PolarHBondContact SG-O 2.81Å
128Q94.7Very high93.8Very high72 Ų7247 Ų4734%0.33627%0.27SS..EExtended strand (participates in β ladder)trans-130125.4-178.3-174.7179.1-59.700112.5H29 I61 C112 Y113 K114H29-Q128 PolarHBondContact CE1-N 3.49Å; H29-Q128 PolarHBondContact CE1-O 2.78Å; H29-Q128 PolarHBondContact ND1-O 2.83Å; H29-Q128 VanDerWaalsContact ND1-O 3.15Å; H29-Q128 PolarHBondContact NE2-N 2.76Å; I61-Q128 HydrophobicContact CD1-CG 4.22Å; C112-Q128 HydrophobicContact CB-CG 4.09Å; Y113-Q128 CarbonylContact O-C 3.54Å; Y113-Q128 WeakPolarHBondContact O-CA 3.44Å; K114-Q128 HydrophobicContact CG-CB 3.99Å; K114-Q128 HydrophobicContact CG-CG 4.14Å
129T96.3Very high94.1Very high1 Ų144.7 Ų44.71%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-120.3123.5177.9-53.30000110.1N30 E33 I43 Y113N30-T129 WeakPolarHBondContact O-CA 3.28Å; N30-T129 VanDerWaalsContact O-CB 3.26Å; N30-T129 WeakPolarHBondContact O-CB 3.42Å; N30-T129 VanDerWaalsContact O-CG2 3.27Å; N30-T129 WeakPolarHBondContact O-CG2 3.33Å; N30-T129 PolarHBondContact O-OG1 2.84Å; E33-T129 HydrophobicContact CB-CG2 4.12Å; E33-T129 HydrophobicContact CG-CG2 3.53Å; I43-T129 HydrophobicContact CD1-CG2 4.46Å; I43-T129 HydrophobicContact CG2-CG2 3.96Å; Y113-T129 PolarHBondContact N-O 2.98Å; Y113-T129 PolarHBondContact O-N 2.9Å
130C96.3Very high94.4Very high30 Ų3048.2 Ų48.220%0.20328%0.278CS..EExtended strand (participates in β ladder)trans-95119.4176.7-590000111.3T31 Y32 E33 C112T31-C130 PolarHBondContact O-N 2.96Å; Y32-C130 CarbonylContact C-O 3.49Å; Y32-C130 VanDerWaalsContact CA-O 3.31Å; Y32-C130 WeakPolarHBondContact CA-O 3.22Å; Y32-C130 HydrophobicContact CD2-CB 4.27Å; Y32-C130 VanDerWaalsContact CD2-O 3.24Å; Y32-C130 WeakPolarHBondContact CD2-O 3.36Å; E33-C130 PolarHBondContact N-O 2.9Å; C112-C130 HydrophobicContact CB-CB 4.13Å; C112-C130 WeakPolarHBondContact CB-SG 3.41Å; C112-C130 WeakPolarHBondContact SG-CB 3.42Å; C112-C130 CovalentContact SG-SG 2.05Å; C112-C130 PolarHBondContact SG-SG 2.83Å
131L96.9Very high95Very high3 Ų341.6 Ų41.62%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-92.6134.3179.1178.359.9000110.1E33 A35 I41 A111 Y113 I133E33-L131 HydrophobicContact CB-CD1 4.06Å; E33-L131 WeakPolarHBondContact O-CA 3.15Å; A35-L131 HydrophobicContact CB-CD1 3.88Å; I41-L131 HydrophobicContact CG1-CD1 4.03Å; I41-L131 HydrophobicContact CG2-CD1 4.36Å; I41-L131 HydrophobicContact CG2-CD2 3.93Å; A111-L131 PolarHBondContact N-O 3.49Å; A111-L131 PolarHBondContact O-N 3Å; Y113-L131 HydrophobicContact CD2-CB 4.11Å; Y113-L131 HydrophobicContact CE2-CB 3.88Å; Y113-L131 HydrophobicContact CE2-CD2 4.03Å; L131-I133 HydrophobicContact CD2-CD1 4.18Å; L131-I133 HydrophobicContact CG-CD1 4.15Å
132T96.5Very high95.3Very high28 Ų2841.3 Ų41.317%0.17224%0.243CC..EExtended strand (participates in β ladder)trans-122.5137.7167.7-62.30000110.9Y32 E33 R34 A35Y32-T132 WeakPolarHBondContact CE2-OG1 3.29Å; Y32-T132 WeakPolarHBondContact OH-CB 3.35Å; Y32-T132 PolarHBondContact OH-OG1 2.83Å; E33-T132 PolarHBondContact O-N 2.67Å; R34-T132 WeakPolarHBondContact CA-O 3.38Å; A35-T132 PolarHBondContact N-O 3.49Å
133I97.8Very high95.7Very high0 Ų038 Ų380%023%0.229CC..EExtended strand (participates in β ladder)trans-90130.6176.4-50.8-54.6000109.4A35 L37 V105 T106 F107 E110 L131 K162A35-I133 HydrophobicContact CB-CD1 4.19Å; A35-I133 WeakPolarHBondContact O-CA 3.17Å; L37-I133 HydrophobicContact CB-CG2 3.88Å; L37-I133 HydrophobicContact CD1-CG2 3.89Å; V105-I133 HydrophobicContact CB-CD1 3.88Å; V105-I133 HydrophobicContact CG2-CD1 3.81Å; T106-I133 WeakPolarHBondContact O-CG1 3.41Å; F107-I133 HydrophobicContact CD1-CB 4.02Å; F107-I133 HydrophobicContact CD1-CG2 3.98Å; F107-I133 HydrophobicContact CE1-CB 4.33Å; F107-I133 HydrophobicContact CE1-CG2 3.99Å; E110-I133 HydrophobicContact CB-CG1 4.16Å; E110-I133 PolarHBondContact OE2-N 3.41Å; L131-I133 HydrophobicContact CD2-CD1 4.18Å; L131-I133 HydrophobicContact CG-CD1 4.15Å; I133-K162 WeakPolarHBondContact O-CD 3.27Å; I133-K162 PolarHBondContact O-NZ 3.1Å
134I98.1Very high95.8Very high15 Ų1542.7 Ų42.78%0.07724%0.235CC..EExtended strand (participates in β ladder)trans-117.1148.7175.958.2172.9000110.4R34 A35 V36 L37 K162 V220R34-I134 HydrophobicContact CB-CD1 4.29Å; A35-I134 WeakPolarHBondContact O-CG1 2.92Å; A35-I134 PolarHBondContact O-N 2.9Å; V36-I134 CarbonylContact C-O 3.47Å; V36-I134 WeakPolarHBondContact CA-O 3.39Å; V36-I134 HydrophobicContact CG2-CG1 4.38Å; L37-I134 PolarHBondContact N-O 3.4Å; I134-K162 WeakPolarHBondContact CA-O 3.11Å; I134-K162 VanDerWaalsContact CB-O 3.24Å; I134-K162 WeakPolarHBondContact CB-O 3.26Å; I134-K162 WeakPolarHBondContact CG2-O 3.45Å; I134-V220 HydrophobicContact CB-CG2 4.05Å; I134-V220 HydrophobicContact CD1-CG2 3.63Å; I134-V220 HydrophobicContact CG1-CG2 3.68Å
135T98.1Very high95.5Very high31 Ų3143.8 Ų43.819%0.1924%0.243CC..EExtended strand (participates in β ladder)trans-157.3159.2179.1-169.60000111F107 G161 K162 T190 H218F107-T135 HydrophobicContact CE1-CG2 4.45Å; F107-T135 HydrophobicContact CZ-CG2 3.93Å; T135-G161 CarbonylContact O-C 3.57Å; T135-G161 WeakPolarHBondContact O-CA 3.17Å; T135-K162 HydrophobicContact CG2-CB 4.26Å; T135-K162 PolarHBondContact N-O 3.01Å; T135-K162 VanDerWaalsContact N-O 3.08Å; T135-K162 PolarHBondContact O-N 2.89Å; T135-T190 HydrophobicContact CG2-CG2 4.09Å; T135-H218 PolarHBondContact N-CE1 2.75Å; T135-H218 VanDerWaalsContact N-CE1 3.32Å; T135-H218 PolarHBondContact O-CE1 2.79Å; T135-H218 PolarHBondContact O-NE2 2.89Å
136V98.2Very high95Very high9 Ų942.9 Ų42.96%0.05524%0.242CC..EExtended strand (participates in β ladder)trans-150.6137.5168.372.40000111.1V160 P165 M216 H218 V220 R221V136-V160 CarbonylContact C-O 3.47Å; V136-V160 VanDerWaalsContact CA-O 3.29Å; V136-V160 WeakPolarHBondContact CA-O 3.49Å; V136-P165 HydrophobicContact CG2-CB 4.09Å; V136-P165 HydrophobicContact CG2-CG 4.36Å; V136-M216 HydrophobicContact CG1-CE 4.33Å; V136-M216 HydrophobicContact CG2-CE 3.75Å; V136-M216 HydrophobicContact CG2-SD 3.61Å; V136-H218 HydrophobicContact CB-CB 4.24Å; V136-H218 HydrophobicContact CG1-CB 4.27Å; V136-H218 HydrophobicContact CG2-CB 4.06Å; V136-V220 HydrophobicContact CG1-CB 4.05Å; V136-V220 HydrophobicContact CG1-CG1 4.35Å; V136-R221 HydrophobicContact CG1-CG 3.73Å; V136-R221 PolarHBondContact O-NH1 2.94Å
137S97.6Very high94.1Very high42 Ų4247.2 Ų47.229%0.29426%0.261SS..  trans-74.1172.8172.974.40000111.5V160 M216 R221S137-V160 PolarHBondContact N-O 3.02Å; S137-V160 PolarHBondContact OG-N 2.83Å; S137-M216 WeakPolarHBondContact O-CE 3.44Å; S137-R221 PolarHBondContact O-NH2 2.87Å
138E97.4Very high93Very high142 Ų14251.4 Ų51.466%0.66430%0.304SS*.  trans-64.4155.9162.7-66.8177.9-177.800111.4V140 R221E138-V140 PolarHBondContact O-N 2.82Å; E138-R221 VanDerWaalsContact N-NH2 3.14Å
139L98.2Very high91.9Very high0 Ų050.6 Ų50.60%031%0.306CS..  trans-81.1109.9176.6176.459.9000109.7T141 I167 V214 M216 E223 K225L139-T141 HydrophobicContact CD1-CG2 4.46Å; L139-T141 HydrophobicContact CD2-CG2 4.4Å; L139-T141 HydrophobicContact CG-CG2 4.05Å; L139-I167 HydrophobicContact CD1-CD1 4.26Å; L139-V214 HydrophobicContact CD1-CG1 4.35Å; L139-V214 HydrophobicContact CD2-CB 4.05Å; L139-V214 HydrophobicContact CD2-CG1 3.82Å; L139-V214 WeakPolarHBondContact CD2-O 3.39Å; L139-M216 HydrophobicContact CB-CB 4.34Å; L139-M216 HydrophobicContact CD1-CB 4.28Å; L139-M216 HydrophobicContact CD2-CB 4.03Å; L139-M216 HydrophobicContact CG-CB 4.44Å; L139-E223 WeakPolarHBondContact CB-OE1 3.41Å; L139-E223 PolarHBondContact N-OE1 2.8Å; L139-K225 HydrophobicContact CD2-CB 3.96Å; L139-K225 VanDerWaalsContact O-CD 3.29Å; L139-K225 WeakPolarHBondContact O-CD 3.31Å; L139-K225 PolarHBondContact O-NZ 2.85Å
140V97.9Very high90.9Very high82 Ų8257.9 Ų57.950%0.49734%0.34SS..EExtended strand (participates in β ladder)trans-86130.8173.6-175.40000108.7E138 C157 S158E138-V140 PolarHBondContact O-N 2.82Å; V140-C157 CarbonylContact O-C 3.57Å; V140-C157 WeakPolarHBondContact O-CA 3.42Å; V140-S158 WeakPolarHBondContact CB-O 3.36Å; V140-S158 PolarHBondContact N-O 2.87Å; V140-S158 PolarHBondContact O-N 3.02Å
141T97.6Very high90.3Very high30 Ų3059.1 Ų59.118%0.18435%0.345CS..EExtended strand (participates in β ladder)trans-135.1129.5178.555.90000109.3L139 L156 V214 K225 V227L139-T141 HydrophobicContact CD1-CG2 4.46Å; L139-T141 HydrophobicContact CD2-CG2 4.4Å; L139-T141 HydrophobicContact CG-CG2 4.05Å; T141-L156 CarbonylContact C-O 3.49Å; T141-L156 WeakPolarHBondContact CA-O 3.28Å; T141-V214 HydrophobicContact CG2-CB 4.02Å; T141-V214 HydrophobicContact CG2-CG1 4.16Å; T141-V214 HydrophobicContact CG2-CG2 3.86Å; T141-K225 HydrophobicContact CG2-CB 4.37Å; T141-K225 HydrophobicContact CG2-CD 3.96Å; T141-K225 HydrophobicContact CG2-CG 4.27Å; T141-K225 WeakPolarHBondContact OG1-CD 3.24Å; T141-K225 VanDerWaalsContact OG1-CE 3.25Å; T141-K225 WeakPolarHBondContact OG1-CE 3.12Å; T141-V227 HydrophobicContact CG2-CG2 4.16Å
142E96.4Very high90.1Very high84 Ų8461.5 Ų61.539%0.39336%0.357SS..EExtended strand (participates in β ladder)trans-135.6125.6178.4-165.2-175161.900110.1R144 L156E142-R144 VanDerWaalsContact CD-NE 3.27Å; E142-R144 HydrophobicContact CG-CG 4.36Å; E142-R144 IonicContact OE1-CZ 3.2Å; E142-R144 IonicContact OE1-NE 3.56Å; E142-R144 PolarHBondContact OE1-NE 2.86Å; E142-R144 IonicContact OE1-NH2 2.86Å; E142-R144 PolarHBondContact OE1-NH2 3.48Å; E142-R144 IonicContact OE2-CZ 3.47Å; E142-R144 IonicContact OE2-NE 2.74Å; E142-R144 IonicContact OE2-NH2 2.75Å; E142-R144 PolarHBondContact OE2-NH2 2.95Å; E142-L156 PolarHBondContact N-O 3.35Å; E142-L156 PolarHBondContact O-N 2.86Å
143L94.3Very high89.9Confident48 Ų4860.7 Ų60.725%0.25135%0.352SS..EExtended strand (participates in β ladder)trans-103.3121178-171.370.6000109.2H153 L155 V227 L229L143-H153 HydrophobicContact CD1-CB 3.86Å; L143-H153 HydrophobicContact CG-CB 4.34Å; L143-L155 HydrophobicContact CD1-CB 3.82Å; L143-L155 HydrophobicContact CD1-CD1 4.41Å; L143-V227 HydrophobicContact CB-CG1 4.19Å; L143-V227 HydrophobicContact CD2-CG1 4.27Å; L143-L229 HydrophobicContact CD2-CD2 4.11Å
144R91.8Very high89.7Confident134 Ų13462.1 Ų62.151%0.50636%0.362SS..EExtended strand (participates in β ladder)trans-122.1143.6178.7-62.5-179.6178.7163.24.5110.1E142 H153 S154E142-R144 VanDerWaalsContact CD-NE 3.27Å; E142-R144 HydrophobicContact CG-CG 4.36Å; E142-R144 IonicContact OE1-CZ 3.2Å; E142-R144 IonicContact OE1-NE 3.56Å; E142-R144 PolarHBondContact OE1-NE 2.86Å; E142-R144 IonicContact OE1-NH2 2.86Å; E142-R144 PolarHBondContact OE1-NH2 3.48Å; E142-R144 IonicContact OE2-CZ 3.47Å; E142-R144 IonicContact OE2-NE 2.74Å; E142-R144 IonicContact OE2-NH2 2.75Å; E142-R144 PolarHBondContact OE2-NH2 2.95Å; R144-H153 CarbonylContact O-C 3.5Å; R144-H153 WeakPolarHBondContact O-CA 3.45Å; R144-S154 PolarHBondContact N-O 3.35Å; R144-S154 PolarHBondContact O-N 3.4Å
145S85.7Confident89.6Confident82 Ų8261.4 Ų61.457%0.57336%0.358SS*.EExtended strand (participates in β ladder)trans-69139170.3-47.30000110.1H153S145-H153 PolarHBondContact OG-NE2 3.32Å
146A79.9Confident89.5Confident17 Ų1762 Ų6214%0.1436%0.36CS..PPolyproline II helixtrans-76.9138.1178.100000110.6G148 S149 L152A146-G148 PolarHBondContact O-N 3.34Å; A146-S149 PolarHBondContact O-N 2.99Å; A146-L152 HydrophobicContact CB-CB 4.04Å; A146-L152 HydrophobicContact CB-CD2 3.91Å; A146-L152 HydrophobicContact CB-CG 3.96Å; A146-L152 VanDerWaalsContact CB-O 3.25Å; A146-L152 WeakPolarHBondContact CB-O 3.39Å; A146-L152 PolarHBondContact N-O 2.86Å
147P73.1Confident89.5Confident139 Ų13961.5 Ų61.590%0.90336%0.357SS*.THydrogen-bonded Turntrans-62.5124.5177.425.5-33000110.5
148G70.1Confident89.5Confident90 Ų9060.6 Ų60.693%0.92835%0.351SS*.THydrogen-bonded Turntrans952.3177.400000116.5A146A146-G148 PolarHBondContact O-N 3.34Å
149S72.2Confident89.6Confident55 Ų5553.9 Ų53.939%0.38532%0.32SS..  trans-153.9126172.1179.30000112.5A146 D151 L152A146-S149 PolarHBondContact O-N 2.99Å; S149-D151 VanDerWaalsContact C-N 3.3Å; S149-D151 PolarHBondContact O-N 3.09Å; S149-D151 PolarHBondContact OG-N 3.41Å; S149-L152 PolarHBondContact OG-N 2.79Å
150E74.3Confident89.6Confident154 Ų15456.2 Ų56.272%0.7233%0.333SS*.THydrogen-bonded Turntrans-70.5-25.3174.1-62.9-169.3168.800113H153E150-H153 PolarHBondContact O-CE1 3.12Å; E150-H153 VanDerWaalsContact O-CE1 3.24Å
151D85.2Confident89.6Confident57 Ų5752.3 Ų52.331%0.30531%0.31SS..THydrogen-bonded Turntrans-88-9.4-177.7-86.2-23.8000113.6S149 L201 R205S149-D151 VanDerWaalsContact C-N 3.3Å; S149-D151 PolarHBondContact O-N 3.09Å; S149-D151 PolarHBondContact OG-N 3.41Å; D151-L201 WeakPolarHBondContact O-CB 3.16Å; D151-L201 PolarHBondContact O-N 2.91Å; D151-R205 IonicContact OD1-CZ 3.61Å; D151-R205 IonicContact OD1-NH1 2.69Å; D151-R205 PolarHBondContact OD1-NH1 2.88Å; D151-R205 IonicContact OD1-NH2 3.78Å
152L91.3Very high89.6Confident52 Ų5251.6 Ų51.627%0.27230%0.304SS..EExtended strand (participates in β ladder)trans-108.3126.9178.9-170.272.3000110.4A146 S149 V176 N198A146-L152 HydrophobicContact CB-CB 4.04Å; A146-L152 HydrophobicContact CB-CD2 3.91Å; A146-L152 HydrophobicContact CB-CG 3.96Å; A146-L152 VanDerWaalsContact CB-O 3.25Å; A146-L152 WeakPolarHBondContact CB-O 3.39Å; A146-L152 PolarHBondContact N-O 2.86Å; S149-L152 PolarHBondContact OG-N 2.79Å; L152-V176 HydrophobicContact CD1-CG2 3.84Å; L152-N198 HydrophobicContact CD1-CB 4.35Å
153H92.6Very high89.6Confident12 Ų1251.1 Ų51.16%0.05631%0.308CS..EExtended strand (participates in β ladder)trans-123.2143.2177.6-7855.7000111L143 R144 S145 E150 N198 I199 L201L143-H153 HydrophobicContact CD1-CB 3.86Å; L143-H153 HydrophobicContact CG-CB 4.34Å; R144-H153 CarbonylContact O-C 3.5Å; R144-H153 WeakPolarHBondContact O-CA 3.45Å; S145-H153 PolarHBondContact OG-NE2 3.32Å; E150-H153 PolarHBondContact O-CE1 3.12Å; E150-H153 VanDerWaalsContact O-CE1 3.24Å; H153-N198 CarbonylContact O-C 3.54Å; H153-I199 PolarHBondContact N-O 2.98Å; H153-I199 PolarHBondContact O-N 2.82Å; H153-L201 WeakPolarHBondContact ND1-CD1 3.49Å
154S94.1Very high89.8Confident30 Ų3050.9 Ų50.921%0.2131%0.313CS..EExtended strand (participates in β ladder)trans-97.1113.2172.9-1690000108.6R144 I196 Y197R144-S154 PolarHBondContact N-O 3.35Å; R144-S154 PolarHBondContact O-N 3.4Å; S154-I196 WeakPolarHBondContact OG-CG2 3.34Å; S154-Y197 WeakPolarHBondContact CA-O 3.39Å
155L95.7Very high90.1Very high0 Ų044.8 Ų44.80%029%0.291CS..EExtended strand (participates in β ladder)trans-96.4108.1172.3171.155.7000108.5L143 V169 I196 Y197 I199 L212 V214 V227L143-L155 HydrophobicContact CD1-CB 3.82Å; L143-L155 HydrophobicContact CD1-CD1 4.41Å; L155-V169 HydrophobicContact CD2-CG1 4.43Å; L155-V169 HydrophobicContact CD2-CG2 4.21Å; L155-I196 WeakPolarHBondContact O-CA 3.45Å; L155-Y197 PolarHBondContact N-O 3.18Å; L155-Y197 PolarHBondContact O-N 3.23Å; L155-I199 HydrophobicContact CB-CG1 3.89Å; L155-L212 HydrophobicContact CD2-CD1 4.02Å; L155-V214 HydrophobicContact CD2-CG2 4.01Å; L155-V227 HydrophobicContact CD1-CG1 4.12Å; L155-V227 HydrophobicContact CD1-CG2 4.21Å
156L97.1Very high90.7Very high42 Ų4242.2 Ų42.222%0.2228%0.277CS..EExtended strand (participates in β ladder)trans-91.6124.1173.6-178.3145000109.3T141 E142 T194 I196T141-L156 CarbonylContact C-O 3.49Å; T141-L156 WeakPolarHBondContact CA-O 3.28Å; E142-L156 PolarHBondContact N-O 3.35Å; E142-L156 PolarHBondContact O-N 2.86Å; L156-T194 HydrophobicContact CD1-CG2 4.2Å; L156-T194 HydrophobicContact CD2-CG2 4.48Å; L156-T194 HydrophobicContact CG-CG2 4.11Å; L156-I196 HydrophobicContact CD1-CD1 4.42Å; L156-I196 HydrophobicContact CD1-CG1 4.37Å
157C97.6Very high91.5Very high0 Ų041.8 Ų41.80%027%0.273CS..EExtended strand (participates in β ladder)trans-119.5131176.3-57.70000108.6V140 I167 T194 K195 V214V140-C157 CarbonylContact O-C 3.57Å; V140-C157 WeakPolarHBondContact O-CA 3.42Å; C157-I167 HydrophobicContact CB-CG2 3.82Å; C157-T194 CarbonylContact O-C 3.59Å; C157-T194 WeakPolarHBondContact O-CA 3.45Å; C157-K195 PolarHBondContact N-O 3.45Å; C157-K195 PolarHBondContact O-N 2.84Å; C157-V214 HydrophobicContact CB-CG1 4.11Å; C157-V214 WeakPolarHBondContact SG-CG1 3.38Å
158S98.2Very high92.6Very high23 Ų2338 Ų3816%0.16125%0.249CC..EExtended strand (participates in β ladder)trans-142139.9-179.5-164.40000112.2V140 V193 T194V140-S158 WeakPolarHBondContact CB-O 3.36Å; V140-S158 PolarHBondContact N-O 2.87Å; V140-S158 PolarHBondContact O-N 3.02Å; S158-V193 VanDerWaalsContact CA-O 3.3Å; S158-V193 WeakPolarHBondContact CA-O 3.42Å; S158-V193 PolarHBondContact OG-O 2.93Å; S158-T194 PolarHBondContact OG-OG1 2.86Å
159A98.3Very high93.9Very high1 Ų134.3 Ų34.31%0.00821%0.209CC..EExtended strand (participates in β ladder)trans-151.1150.4173.200000110.8P165 I167 V193 M216A159-P165 HydrophobicContact CB-CG 3.88Å; A159-I167 HydrophobicContact CB-CD1 4.21Å; A159-V193 PolarHBondContact N-O 3.44Å; A159-V193 PolarHBondContact O-N 2.83Å; A159-M216 HydrophobicContact CB-SD 3.41Å; A159-M216 WeakPolarHBondContact CB-SD 3.37Å
160V98.2Very high95Very high48 Ų4839 Ų3929%0.29122%0.219SC..EExtended strand (participates in β ladder)trans-110.3134.8178.1-169.90000109V136 S137 V191 T192V136-V160 CarbonylContact C-O 3.47Å; V136-V160 VanDerWaalsContact CA-O 3.29Å; V136-V160 WeakPolarHBondContact CA-O 3.49Å; S137-V160 PolarHBondContact N-O 3.02Å; S137-V160 PolarHBondContact OG-N 2.83Å; V160-V191 WeakPolarHBondContact CA-O 3.2Å; V160-T192 HydrophobicContact CG2-CG2 4.11Å
161G97.8Very high95.9Very high0 Ų032.3 Ų32.30%019%0.189CC..EExtended strand (participates in β ladder)trans-156.9167.6174.500000115.3T135 P163 V191T135-G161 CarbonylContact O-C 3.57Å; T135-G161 WeakPolarHBondContact O-CA 3.17Å; G161-P163 CarbonylContact C-O 3.53Å; G161-V191 PolarHBondContact N-O 3.08Å; G161-V191 PolarHBondContact O-N 3.38Å
162K97.5Very high96.2Very high16 Ų1633.2 Ų33.27%0.0720%0.2CC..EExtended strand (participates in β ladder)trans-132.8111167.1-174.7169.9-173.4-80.50107.8F107 E110 I133 I134 T135 N188 T190 H218F107-K162 HydrophobicContact CD1-CD 4.49Å; F107-K162 HydrophobicContact CE1-CD 3.96Å; E110-K162 IonicContact OE1-NZ 3.62Å; E110-K162 PolarHBondContact OE1-NZ 2.91Å; E110-K162 IonicContact OE2-NZ 2.81Å; E110-K162 PolarHBondContact OE2-NZ 2.84Å; I133-K162 WeakPolarHBondContact O-CD 3.27Å; I133-K162 PolarHBondContact O-NZ 3.1Å; I134-K162 WeakPolarHBondContact CA-O 3.11Å; I134-K162 VanDerWaalsContact CB-O 3.24Å; I134-K162 WeakPolarHBondContact CB-O 3.26Å; I134-K162 WeakPolarHBondContact CG2-O 3.45Å; T135-K162 HydrophobicContact CG2-CB 4.26Å; T135-K162 PolarHBondContact N-O 3.01Å; T135-K162 VanDerWaalsContact N-O 3.08Å; T135-K162 PolarHBondContact O-N 2.89Å; K162-N188 VanDerWaalsContact CD-O 3.29Å; K162-N188 WeakPolarHBondContact CD-O 3.24Å; K162-N188 VanDerWaalsContact CE-O 3.26Å; K162-N188 WeakPolarHBondContact CE-O 3.18Å; K162-T190 HydrophobicContact CB-CG2 4.09Å; K162-T190 HydrophobicContact CD-CG2 4.47Å; K162-H218 PolarHBondContact N-NE2 3.32Å; K162-H218 VanDerWaalsContact N-NE2 3.2Å; K162-H218 PolarHBondContact O-CE1 3.11Å; K162-H218 PolarHBondContact O-NE2 2.85Å
163P97.1Very high96.1Very high74 Ų7436.5 Ų36.548%0.48121%0.214SC..SBendcis-62.5177-9.231.2-38.2000112.9G161 H218G161-P163 CarbonylContact C-O 3.53Å; P163-H218 VanDerWaalsContact CA-NE2 3.28Å; P163-H218 WeakPolarHBondContact CA-NE2 3.28Å; P163-H218 WeakPolarHBondContact CD-NE2 3.23Å; P163-H218 WeakPolarHBondContact CG-NE2 3.49Å; P163-H218 PolarHBondContact O-CD2 2.7Å; P163-H218 VanDerWaalsContact O-CD2 3.29Å; P163-H218 PolarHBondContact O-NE2 2.85Å
164A97.8Very high96Very high43 Ų4335.9 Ų35.936%0.35521%0.211SC..PPolyproline II helixtrans-57.1132.817600000111.7V191 V193A164-V191 HydrophobicContact CB-CB 3.92Å; A164-V191 HydrophobicContact CB-CG1 3.95Å; A164-V191 HydrophobicContact CB-CG2 4.46Å; A164-V193 HydrophobicContact CB-CG2 3.87Å
165P98.1Very high95.8Very high5 Ų535.9 Ų35.93%0.03221%0.21CC..PPolyproline II helixtrans-75.6147.8177.130.1-34.9000112.6V136 A159 V193 M216 H218V136-P165 HydrophobicContact CG2-CB 4.09Å; V136-P165 HydrophobicContact CG2-CG 4.36Å; A159-P165 HydrophobicContact CB-CG 3.88Å; P165-V193 HydrophobicContact CG-CB 4.36Å; P165-V193 HydrophobicContact CG-CG2 4.16Å; P165-M216 HydrophobicContact CB-CG 3.89Å; P165-M216 HydrophobicContact CB-SD 3.98Å; P165-M216 HydrophobicContact CG-SD 4.43Å; P165-H218 HydrophobicContact CB-CB 4.37Å
166G97.8Very high95.4Very high28 Ų2839.8 Ų39.829%0.28923%0.233SC..EExtended strand (participates in β ladder)trans-79.8141.6166.800000110.5M216 T217G166-M216 CarbonylContact O-C 3.57Å; G166-M216 VanDerWaalsContact O-CA 3.28Å; G166-M216 WeakPolarHBondContact O-CA 3.4Å; G166-T217 PolarHBondContact N-O 2.67Å; G166-T217 PolarHBondContact O-N 2.87Å
167I98.1Very high94.9Very high9 Ų943.9 Ų43.95%0.04625%0.251CS..EExtended strand (participates in β ladder)trans-129.4132.4173.6-60.2177.3000108.9L139 C157 A159 V193 K195 Y197 V214L139-I167 HydrophobicContact CD1-CD1 4.26Å; C157-I167 HydrophobicContact CB-CG2 3.82Å; A159-I167 HydrophobicContact CB-CD1 4.21Å; I167-V193 HydrophobicContact CD1-CB 4.4Å; I167-V193 HydrophobicContact CD1-CG1 4.11Å; I167-V193 HydrophobicContact CG1-CG1 4.49Å; I167-K195 HydrophobicContact CB-CD 3.97Å; I167-K195 HydrophobicContact CB-CG 4.35Å; I167-K195 HydrophobicContact CG2-CD 4.26Å; I167-K195 WeakPolarHBondContact O-CD 3.42Å; I167-K195 VanDerWaalsContact O-CE 3.26Å; I167-K195 WeakPolarHBondContact O-CE 3.17Å; I167-K195 PolarHBondContact O-NZ 3.4Å; I167-Y197 PolarHBondContact O-OH 3.38Å; I167-V214 HydrophobicContact CG2-CG1 4.05Å
168S96.6Very high94.5Very high58 Ų5848.1 Ų48.141%0.40629%0.286SS..EExtended strand (participates in β ladder)trans-136.6163.4174.860.70000111.5V214 S215S168-V214 WeakPolarHBondContact O-CA 3.24Å; S168-V214 WeakPolarHBondContact O-CG1 3.21Å; S168-S215 PolarHBondContact N-O 2.67Å; S168-S215 PolarHBondContact O-N 2.84Å; S168-S215 PolarHBondContact OG-O 3.12Å
169V96.7Very high94.3Very high14 Ų1449.5 Ų49.59%0.08530%0.295CS..EExtended strand (participates in β ladder)trans-130.9137.3176.5174.60000109.3L155 Y197 L212 V213 V214L155-V169 HydrophobicContact CD2-CG1 4.43Å; L155-V169 HydrophobicContact CD2-CG2 4.21Å; V169-Y197 HydrophobicContact CB-CD1 4.08Å; V169-Y197 HydrophobicContact CB-CE1 3.89Å; V169-Y197 HydrophobicContact CB-CE2 4.47Å; V169-Y197 HydrophobicContact CB-CG 4.48Å; V169-Y197 HydrophobicContact CG2-CD1 3.93Å; V169-Y197 HydrophobicContact CG2-CD2 3.66Å; V169-Y197 HydrophobicContact CG2-CE1 3.75Å; V169-Y197 HydrophobicContact CG2-CE2 3.45Å; V169-Y197 VanDerWaalsContact CG2-CE2 3.45Å; V169-Y197 HydrophobicContact CG2-CG 3.9Å; V169-L212 HydrophobicContact CG1-CB 4.45Å; V169-L212 HydrophobicContact CG1-CD1 4.29Å; V169-V213 CarbonylContact C-O 3.53Å; V169-V213 WeakPolarHBondContact CA-O 3.45Å; V169-V214 HydrophobicContact CG2-CB 4.49Å; V169-V214 HydrophobicContact CG2-CG1 4.13Å; V169-V214 HydrophobicContact CG2-CG2 4.14Å
170Y94.9Very high94.1Very high154 Ų15453.8 Ų53.860%0.60431%0.314SS*.EExtended strand (participates in β ladder)trans-127.9139.3175.9-179.1-92.1000110.7V213Y170-V213 PolarHBondContact N-O 3.12Å; Y170-V213 PolarHBondContact O-N 2.68Å
171P93.2Very high94Very high13 Ų1355.4 Ų55.48%0.08432%0.319CS..SBendcis-73.6141.6-6.4-18.535.2000112.2Q173 V174 L209P171-Q173 VanDerWaalsContact C-N 3.31Å; P171-Q173 PolarHBondContact O-N 2.93Å; P171-V174 HydrophobicContact CB-CG2 4.3Å; P171-V174 WeakPolarHBondContact O-CG2 3.2Å; P171-L209 HydrophobicContact CB-CD1 4.27Å; P171-L209 HydrophobicContact CG-CD1 3.66Å; P171-L209 HydrophobicContact CG-CD2 3.92Å; P171-L209 HydrophobicContact CG-CG 4.46Å
172S91.1Very high94Very high75 Ų7561.4 Ų61.452%0.52434%0.343SS..G310 helixtrans-71.4-26.1-175.756.20000113.3V174 T175S172-V174 PolarHBondContact O-N 2.79Å; S172-V174 VanDerWaalsContact O-N 3.1Å; S172-T175 WeakPolarHBondContact O-CB 3.32Å; S172-T175 PolarHBondContact O-N 3.03Å; S172-T175 PolarHBondContact O-OG1 3.29Å
173Q89.6Confident94Very high121 Ų12166.9 Ų66.957%0.56537%0.366SS*.G310 helixtrans-61.5-18.4-178.3-56.684-9.200113.6P171 T203 L207P171-Q173 VanDerWaalsContact C-N 3.31Å; P171-Q173 PolarHBondContact O-N 2.93Å; Q173-T203 WeakPolarHBondContact O-CG2 3.21Å; Q173-L207 HydrophobicContact CB-CD1 4.27Å
174V90.2Very high94Very high0 Ų065.7 Ų65.70%036%0.363CS..G310 helixtrans-77.3-15.1177.9-157.10000111.7P171 S172 I199 S200 A204 L207 L209 L212P171-V174 HydrophobicContact CB-CG2 4.3Å; P171-V174 WeakPolarHBondContact O-CG2 3.2Å; S172-V174 PolarHBondContact O-N 2.79Å; S172-V174 VanDerWaalsContact O-N 3.1Å; V174-I199 HydrophobicContact CG1-CG2 3.67Å; V174-S200 WeakPolarHBondContact CG1-O 3.38Å; V174-S200 PolarHBondContact O-N 3.48Å; V174-A204 HydrophobicContact CG1-CB 3.65Å; V174-L207 HydrophobicContact CG2-CD1 4.4Å; V174-L209 HydrophobicContact CG2-CD1 3.52Å; V174-L212 HydrophobicContact CB-CD2 4.27Å; V174-L212 HydrophobicContact CG1-CD2 4.46Å; V174-L212 HydrophobicContact CG2-CD2 3.95Å
175T89.8Confident93.9Very high30 Ų3071.5 Ų71.518%0.18438%0.383CS..BIsolated β-bridgetrans-84.3128179.6-33.80000110.6S172 Q177 Y197 N198S172-T175 WeakPolarHBondContact O-CB 3.32Å; S172-T175 PolarHBondContact O-N 3.03Å; S172-T175 PolarHBondContact O-OG1 3.29Å; T175-Q177 WeakPolarHBondContact CG2-O 3.47Å; T175-Y197 HydrophobicContact CG2-CD1 4.02Å; T175-N198 CarbonylContact C-O 3.53Å; T175-N198 WeakPolarHBondContact CA-O 3.31Å; T175-N198 WeakPolarHBondContact CG2-O 3.32Å
176V86.9Confident93.8Very high82 Ų8274.4 Ų74.450%0.49740%0.398SS..SBendtrans-77.2-25.5-175.4-175.30000112.6L152 N198L152-V176 HydrophobicContact CD1-CG2 3.84Å; V176-N198 PolarHBondContact N-O 2.84Å
177Q87.8Confident93.5Very high128 Ų12876.6 Ų76.660%0.59841%0.414SS*.SBendtrans-146.3170.4-174.7-67.6177.3-9.200110.2T175T175-Q177 WeakPolarHBondContact CG2-O 3.47Å
178A89.8Confident93.3Very high88 Ų8880.3 Ų80.373%0.72743%0.434SS*.PPolyproline II helixtrans-57.9139.416800000110.5
179P92.7Very high93.1Very high52 Ų5280.2 Ų80.234%0.33844%0.436SS..PPolyproline II helixtrans-66.4144.5179.128-34.4000111.1I196 Y197P179-I196 VanDerWaalsContact CA-O 3.31Å; P179-I196 WeakPolarHBondContact CA-O 3.48Å; P179-Y197 HydrophobicContact CB-CD1 3.75Å; P179-Y197 HydrophobicContact CB-CD2 4.49Å; P179-Y197 HydrophobicContact CB-CE1 3.63Å; P179-Y197 HydrophobicContact CB-CE2 4.39Å; P179-Y197 HydrophobicContact CB-CG 4.17Å; P179-Y197 HydrophobicContact CG-CD1 4.31Å; P179-Y197 HydrophobicContact CG-CE1 3.81Å
180Q94.4Very high93.1Very high91 Ų9180.3 Ų80.343%0.42544%0.437SS..EExtended strand (participates in β ladder)trans-79.7128.1169.4-62.5170.7-10.700108Y182 K195 I196Q180-Y182 HydrophobicContact CB-CE2 3.78Å; Q180-K195 CarbonylContact O-C 3.58Å; Q180-K195 VanDerWaalsContact O-CA 3.27Å; Q180-K195 WeakPolarHBondContact O-CA 3.22Å; Q180-I196 HydrophobicContact CB-CB 4.33Å; Q180-I196 PolarHBondContact N-O 2.94Å; Q180-I196 PolarHBondContact O-N 3.18Å
181E96.5Very high93.3Very high83 Ų8374.4 Ų74.439%0.38842%0.417SS..EExtended strand (participates in β ladder)trans-124.5127.9-174.8179.9164.7-16200110.4F183 K195E181-F183 HydrophobicContact CG-CD2 4.45Å; E181-F183 HydrophobicContact CG-CE2 3.67Å; E181-F183 HydrophobicContact CG-CZ 3.83Å; E181-F183 WeakPolarHBondContact OE1-CZ 3.42Å; E181-K195 HydrophobicContact CB-CG 4.24Å; E181-K195 HydrophobicContact CG-CD 4.43Å; E181-K195 HydrophobicContact CG-CG 4.07Å; E181-K195 WeakPolarHBondContact OE1-CE 3.26Å; E181-K195 IonicContact OE1-NZ 3.23Å; E181-K195 PolarHBondContact OE1-NZ 3.35Å; E181-K195 WeakPolarHBondContact OE2-CE 3.29Å; E181-K195 IonicContact OE2-NZ 2.83Å; E181-K195 PolarHBondContact OE2-NZ 2.9Å
182Y97Very high93.5Very high126 Ų12675.1 Ų75.149%0.49442%0.421SS..EExtended strand (participates in β ladder)trans-126.8135.5-176.2-57.8-82.8000110.3Q180 T194 I196Q180-Y182 HydrophobicContact CB-CE2 3.78Å; Y182-T194 PolarHBondContact N-O 2.8Å; Y182-T194 PolarHBondContact O-N 2.74Å; Y182-I196 HydrophobicContact CE2-CD1 4.08Å
183F97.8Very high93.9Very high130 Ų13071.6 Ų71.657%0.5740%0.396SS*.EExtended strand (participates in β ladder)trans-116120.8175.2-61.3-87.6000109.1E181 V191 T192 V193E181-F183 HydrophobicContact CG-CD2 4.45Å; E181-F183 HydrophobicContact CG-CE2 3.67Å; E181-F183 HydrophobicContact CG-CZ 3.83Å; E181-F183 WeakPolarHBondContact OE1-CZ 3.42Å; F183-V191 HydrophobicContact CB-CG1 4.22Å; F183-V191 HydrophobicContact CD1-CG1 3.98Å; F183-T192 WeakPolarHBondContact CA-O 3.28Å; F183-V193 HydrophobicContact CD1-CG2 3.78Å; F183-V193 HydrophobicContact CE1-CG1 4.27Å; F183-V193 HydrophobicContact CE1-CG2 3.75Å
184A97.3Very high94.3Very high50 Ų5067.3 Ų67.341%0.41338%0.378SS..EExtended strand (participates in β ladder)trans-111.9121.9170.200000109.4V191 T192A184-V191 CarbonylContact O-C 3.58Å; A184-V191 WeakPolarHBondContact O-CA 3.48Å; A184-T192 PolarHBondContact N-O 2.96Å; A184-T192 PolarHBondContact O-N 3.11Å
185Q96.7Very high94.6Very high164 Ų16468.4 Ų68.477%0.76638%0.383SS*.EExtended strand (participates in β ladder)trans-82.7127.3174.9-175.1176-0.500109.5
186N94.9Very high94.9Very high67 Ų6768.5 Ų68.536%0.35838%0.382SS..  trans-108.7-177.4178-41.7-71.5000110.8T190 T192N186-T190 PolarHBondContact N-O 2.81Å; N186-T190 PolarHBondContact ND2-O 3.18Å; N186-T192 PolarHBondContact ND2-N 2.96Å; N186-T192 PolarHBondContact ND2-OG1 2.74Å; N186-T192 PolarHBondContact OD1-OG1 2.89Å
187A92.3Very high95.3Very high74 Ų7465.2 Ų65.261%0.61236%0.361SS*.G310 helixtrans-54.9160.6168.100000112.4A189 T190A187-A189 PolarHBondContact O-N 2.87Å; A187-A189 VanDerWaalsContact O-N 3.14Å; A187-T190 PolarHBondContact O-N 3.28Å; A187-T190 PolarHBondContact O-OG1 3.49Å
188N92.9Very high95.6Very high87 Ų8760.8 Ų60.847%0.46534%0.341SS..G310 helixtrans57.824.1179.5-51.1-24.3000114.2F107 K162 T190F107-N188 HydrophobicContact CB-CB 4.03Å; F107-N188 HydrophobicContact CD1-CB 3.83Å; F107-N188 HydrophobicContact CD2-CB 3.64Å; F107-N188 WeakPolarHBondContact CD2-ND2 3.03Å; F107-N188 HydrophobicContact CE1-CB 4.12Å; F107-N188 HydrophobicContact CE2-CB 3.92Å; F107-N188 HydrophobicContact CG-CB 3.56Å; F107-N188 HydrophobicContact CZ-CB 4.15Å; K162-N188 VanDerWaalsContact CD-O 3.29Å; K162-N188 WeakPolarHBondContact CD-O 3.24Å; K162-N188 VanDerWaalsContact CE-O 3.26Å; K162-N188 WeakPolarHBondContact CE-O 3.18Å; N188-T190 PolarHBondContact O-N 2.73Å
189A92.9Very high95.9Very high55 Ų5556.6 Ų56.646%0.45531%0.307SS..G310 helixtrans53.230.8-175.700000114.2A187A187-A189 PolarHBondContact O-N 2.87Å; A187-A189 VanDerWaalsContact O-N 3.14Å
190T97.3Very high95.8Very high17 Ų1754.9 Ų54.910%0.10430%0.296CS..  trans-82.1150.9167.360.20000110.1F107 T135 K162 N186 A187 N188F107-T190 HydrophobicContact CE1-CG2 4.21Å; F107-T190 HydrophobicContact CZ-CG2 3.78Å; T135-T190 HydrophobicContact CG2-CG2 4.09Å; K162-T190 HydrophobicContact CB-CG2 4.09Å; K162-T190 HydrophobicContact CD-CG2 4.47Å; N186-T190 PolarHBondContact N-O 2.81Å; N186-T190 PolarHBondContact ND2-O 3.18Å; A187-T190 PolarHBondContact O-N 3.28Å; A187-T190 PolarHBondContact O-OG1 3.49Å; N188-T190 PolarHBondContact O-N 2.73Å
191V98.1Very high95.7Very high30 Ų3050.7 Ų50.718%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-125.4126-178.7-178.70000109.4V160 G161 A164 F183 A184 V193V160-V191 WeakPolarHBondContact CA-O 3.2Å; G161-V191 PolarHBondContact N-O 3.08Å; G161-V191 PolarHBondContact O-N 3.38Å; A164-V191 HydrophobicContact CB-CB 3.92Å; A164-V191 HydrophobicContact CB-CG1 3.95Å; A164-V191 HydrophobicContact CB-CG2 4.46Å; F183-V191 HydrophobicContact CB-CG1 4.22Å; F183-V191 HydrophobicContact CD1-CG1 3.98Å; A184-V191 CarbonylContact O-C 3.58Å; A184-V191 WeakPolarHBondContact O-CA 3.48Å; V191-V193 HydrophobicContact CG1-CG2 4.32Å
192T98.3Very high95.4Very high28 Ų2853.9 Ų53.917%0.17229%0.289CS..EExtended strand (participates in β ladder)trans-84.5121.4167-53.10000108.5V160 F183 A184 N186V160-T192 HydrophobicContact CG2-CG2 4.11Å; F183-T192 WeakPolarHBondContact CA-O 3.28Å; A184-T192 PolarHBondContact N-O 2.96Å; A184-T192 PolarHBondContact O-N 3.11Å; N186-T192 PolarHBondContact ND2-N 2.96Å; N186-T192 PolarHBondContact ND2-OG1 2.74Å; N186-T192 PolarHBondContact OD1-OG1 2.89Å
193V98.4Very high95.1Very high0 Ų050.1 Ų50.10%028%0.279CS..EExtended strand (participates in β ladder)trans-103.1124.7172.6179.80000107.6S158 A159 A164 P165 I167 F183 V191 K195S158-V193 VanDerWaalsContact CA-O 3.3Å; S158-V193 WeakPolarHBondContact CA-O 3.42Å; S158-V193 PolarHBondContact OG-O 2.93Å; A159-V193 PolarHBondContact N-O 3.44Å; A159-V193 PolarHBondContact O-N 2.83Å; A164-V193 HydrophobicContact CB-CG2 3.87Å; P165-V193 HydrophobicContact CG-CB 4.36Å; P165-V193 HydrophobicContact CG-CG2 4.16Å; I167-V193 HydrophobicContact CD1-CB 4.4Å; I167-V193 HydrophobicContact CD1-CG1 4.11Å; I167-V193 HydrophobicContact CG1-CG1 4.49Å; F183-V193 HydrophobicContact CD1-CG2 3.78Å; F183-V193 HydrophobicContact CE1-CG1 4.27Å; F183-V193 HydrophobicContact CE1-CG2 3.75Å; V191-V193 HydrophobicContact CG1-CG2 4.32Å; V193-K195 HydrophobicContact CG1-CG 4.47Å
194T98.1Very high94.8Very high31 Ų3144 Ų4419%0.1925%0.252CS..EExtended strand (participates in β ladder)trans-124.8124.1174.6-61.50000109.3L156 C157 S158 Y182L156-T194 HydrophobicContact CD1-CG2 4.2Å; L156-T194 HydrophobicContact CD2-CG2 4.48Å; L156-T194 HydrophobicContact CG-CG2 4.11Å; C157-T194 CarbonylContact O-C 3.59Å; C157-T194 WeakPolarHBondContact O-CA 3.45Å; S158-T194 PolarHBondContact OG-OG1 2.86Å; Y182-T194 PolarHBondContact N-O 2.8Å; Y182-T194 PolarHBondContact O-N 2.74Å
195K97.6Very high94.5Very high23 Ų2346.2 Ų46.210%0.125%0.25CS..EExtended strand (participates in β ladder)trans-115.5139.1174.3-64.7-163.5-169.7-143.80111.1C157 I167 Q180 E181 V193 Y197C157-K195 PolarHBondContact N-O 3.45Å; C157-K195 PolarHBondContact O-N 2.84Å; I167-K195 HydrophobicContact CB-CD 3.97Å; I167-K195 HydrophobicContact CB-CG 4.35Å; I167-K195 HydrophobicContact CG2-CD 4.26Å; I167-K195 WeakPolarHBondContact O-CD 3.42Å; I167-K195 VanDerWaalsContact O-CE 3.26Å; I167-K195 WeakPolarHBondContact O-CE 3.17Å; I167-K195 PolarHBondContact O-NZ 3.4Å; Q180-K195 CarbonylContact O-C 3.58Å; Q180-K195 VanDerWaalsContact O-CA 3.27Å; Q180-K195 WeakPolarHBondContact O-CA 3.22Å; E181-K195 HydrophobicContact CB-CG 4.24Å; E181-K195 HydrophobicContact CG-CD 4.43Å; E181-K195 HydrophobicContact CG-CG 4.07Å; E181-K195 WeakPolarHBondContact OE1-CE 3.26Å; E181-K195 IonicContact OE1-NZ 3.23Å; E181-K195 PolarHBondContact OE1-NZ 3.35Å; E181-K195 WeakPolarHBondContact OE2-CE 3.29Å; E181-K195 IonicContact OE2-NZ 2.83Å; E181-K195 PolarHBondContact OE2-NZ 2.9Å; V193-K195 HydrophobicContact CG1-CG 4.47Å; K195-Y197 HydrophobicContact CB-CD2 4.23Å; K195-Y197 HydrophobicContact CB-CE2 3.52Å; K195-Y197 HydrophobicContact CD-CE2 4.23Å; K195-Y197 WeakPolarHBondContact CD-OH 3.37Å
196I96.1Very high94.2Very high32 Ų3243 Ų4316%0.16425%0.245CC..EExtended strand (participates in β ladder)trans-119.6118.9176.6-53-179.7000108.5S154 L155 L156 P179 Q180 Y182S154-I196 WeakPolarHBondContact OG-CG2 3.34Å; L155-I196 WeakPolarHBondContact O-CA 3.45Å; L156-I196 HydrophobicContact CD1-CD1 4.42Å; L156-I196 HydrophobicContact CD1-CG1 4.37Å; P179-I196 VanDerWaalsContact CA-O 3.31Å; P179-I196 WeakPolarHBondContact CA-O 3.48Å; Q180-I196 HydrophobicContact CB-CB 4.33Å; Q180-I196 PolarHBondContact N-O 2.94Å; Q180-I196 PolarHBondContact O-N 3.18Å; Y182-I196 HydrophobicContact CE2-CD1 4.08Å
197Y95.3Very high94.1Very high14 Ų1444.1 Ų44.16%0.05525%0.251CS..EExtended strand (participates in β ladder)trans-107.7128.4179.3-64.1-98.6000110S154 L155 I167 V169 T175 P179 K195 I199S154-Y197 WeakPolarHBondContact CA-O 3.39Å; L155-Y197 PolarHBondContact N-O 3.18Å; L155-Y197 PolarHBondContact O-N 3.23Å; I167-Y197 PolarHBondContact O-OH 3.38Å; V169-Y197 HydrophobicContact CB-CD1 4.08Å; V169-Y197 HydrophobicContact CB-CE1 3.89Å; V169-Y197 HydrophobicContact CB-CE2 4.47Å; V169-Y197 HydrophobicContact CB-CG 4.48Å; V169-Y197 HydrophobicContact CG2-CD1 3.93Å; V169-Y197 HydrophobicContact CG2-CD2 3.66Å; V169-Y197 HydrophobicContact CG2-CE1 3.75Å; V169-Y197 HydrophobicContact CG2-CE2 3.45Å; V169-Y197 VanDerWaalsContact CG2-CE2 3.45Å; V169-Y197 HydrophobicContact CG2-CG 3.9Å; T175-Y197 HydrophobicContact CG2-CD1 4.02Å; P179-Y197 HydrophobicContact CB-CD1 3.75Å; P179-Y197 HydrophobicContact CB-CD2 4.49Å; P179-Y197 HydrophobicContact CB-CE1 3.63Å; P179-Y197 HydrophobicContact CB-CE2 4.39Å; P179-Y197 HydrophobicContact CB-CG 4.17Å; P179-Y197 HydrophobicContact CG-CD1 4.31Å; P179-Y197 HydrophobicContact CG-CE1 3.81Å; K195-Y197 HydrophobicContact CB-CD2 4.23Å; K195-Y197 HydrophobicContact CB-CE2 3.52Å; K195-Y197 HydrophobicContact CD-CE2 4.23Å; K195-Y197 WeakPolarHBondContact CD-OH 3.37Å; Y197-I199 PolarHBondContact O-N 3.14Å
198N94.1Very high94Very high35 Ų3543.4 Ų43.419%0.18725%0.251CS..EExtended strand (participates in β ladder)trans-91.8101.3174.3-71-22.1000109.2L152 H153 T175 V176L152-N198 HydrophobicContact CD1-CB 4.35Å; H153-N198 CarbonylContact O-C 3.54Å; T175-N198 CarbonylContact C-O 3.53Å; T175-N198 WeakPolarHBondContact CA-O 3.31Å; T175-N198 WeakPolarHBondContact CG2-O 3.32Å; V176-N198 PolarHBondContact N-O 2.84Å
199I94.3Very high93.9Very high0 Ų041.5 Ų41.50%024%0.24CC..EExtended strand (participates in β ladder)trans-94.3126.7-172.3-55.1-55.3000110.8H153 L155 V174 Y197 L212 L229H153-I199 PolarHBondContact N-O 2.98Å; H153-I199 PolarHBondContact O-N 2.82Å; L155-I199 HydrophobicContact CB-CG1 3.89Å; V174-I199 HydrophobicContact CG1-CG2 3.67Å; Y197-I199 PolarHBondContact O-N 3.14Å; I199-L212 HydrophobicContact CD1-CD1 3.83Å; I199-L212 HydrophobicContact CG1-CD1 3.97Å; I199-L212 HydrophobicContact CG2-CD1 3.95Å; I199-L229 HydrophobicContact CG2-CD2 4.1Å
200S92.6Very high93.8Very high16 Ų1645.4 Ų45.411%0.11225%0.249CC..EExtended strand (participates in β ladder)trans-90.6110.1172167.70000110.9V174 K202 T203 A204V174-S200 WeakPolarHBondContact CG1-O 3.38Å; V174-S200 PolarHBondContact O-N 3.48Å; S200-K202 VanDerWaalsContact C-N 3.27Å; S200-K202 PolarHBondContact O-N 2.86Å; S200-T203 VanDerWaalsContact CB-OG1 3.3Å; S200-T203 WeakPolarHBondContact CB-OG1 3.36Å; S200-T203 PolarHBondContact O-N 2.91Å; S200-T203 WeakPolarHBondContact OG-CB 3.48Å; S200-T203 PolarHBondContact OG-N 3.05Å; S200-T203 PolarHBondContact OG-OG1 2.83Å; S200-A204 PolarHBondContact O-N 2.81Å
201L91.2Very high93.7Very high2 Ų247.9 Ų47.91%0.0126%0.262CS..Hα-helixtrans-63.2-34.7173.4-63.3-177.6000111.9D151 H153 T203 A204 R205 L229 P230D151-L201 WeakPolarHBondContact O-CB 3.16Å; D151-L201 PolarHBondContact O-N 2.91Å; H153-L201 WeakPolarHBondContact ND1-CD1 3.49Å; L201-T203 VanDerWaalsContact C-N 3.29Å; L201-T203 PolarHBondContact O-N 2.69Å; L201-A204 PolarHBondContact O-N 2.86Å; L201-R205 WeakPolarHBondContact O-CB 3.06Å; L201-R205 WeakPolarHBondContact O-CD 3.33Å; L201-R205 WeakPolarHBondContact O-CG 3.41Å; L201-R205 PolarHBondContact O-N 2.81Å; L201-L229 HydrophobicContact CD2-CB 4.1Å; L201-L229 HydrophobicContact CD2-CD1 4.46Å; L201-L229 HydrophobicContact CD2-CD2 4.09Å; L201-L229 HydrophobicContact CD2-CG 4.46Å; L201-P230 HydrophobicContact CD1-CG 3.69Å; L201-P230 HydrophobicContact CD2-CG 3.95Å; L201-P230 HydrophobicContact CG-CG 4.48Å
202K90.4Very high93.5Very high150 Ų15046.5 Ų46.565%0.65225%0.253SS*.Hα-helixtrans-59.6-42.8174.5-175.6176.2179.6178.60111.1S200 S206S200-K202 VanDerWaalsContact C-N 3.27Å; S200-K202 PolarHBondContact O-N 2.86Å; K202-S206 WeakPolarHBondContact O-CB 3.5Å; K202-S206 PolarHBondContact O-N 2.8Å; K202-S206 PolarHBondContact O-OG 3.01Å
203T91Very high93.5Very high47 Ų4747.2 Ų47.229%0.28826%0.258SS..Hα-helixtrans-67.5-45.7175.8-52.60000110.7Q173 S200 L201 R205 S206 L207Q173-T203 WeakPolarHBondContact O-CG2 3.21Å; S200-T203 VanDerWaalsContact CB-OG1 3.3Å; S200-T203 WeakPolarHBondContact CB-OG1 3.36Å; S200-T203 PolarHBondContact O-N 2.91Å; S200-T203 WeakPolarHBondContact OG-CB 3.48Å; S200-T203 PolarHBondContact OG-N 3.05Å; S200-T203 PolarHBondContact OG-OG1 2.83Å; L201-T203 VanDerWaalsContact C-N 3.29Å; L201-T203 PolarHBondContact O-N 2.69Å; T203-R205 PolarHBondContact O-N 3.03Å; T203-S206 WeakPolarHBondContact CA-OG 3.46Å; T203-S206 PolarHBondContact O-N 2.97Å; T203-S206 VanDerWaalsContact O-N 3.17Å; T203-S206 PolarHBondContact O-OG 3.2Å; T203-L207 HydrophobicContact CG2-CD1 4.11Å; T203-L207 WeakPolarHBondContact O-CG 3.3Å; T203-L207 PolarHBondContact O-N 1.91Å; T203-L207 VanDerWaalsContact O-N 3.1Å
204A92Very high93.4Very high1 Ų147.2 Ų47.21%0.00826%0.258CS..Hα-helixtrans-54.5-51.1176.500000112.2V174 S200 L201 S206 L207 G208 L209 L229V174-A204 HydrophobicContact CG1-CB 3.65Å; S200-A204 PolarHBondContact O-N 2.81Å; L201-A204 PolarHBondContact O-N 2.86Å; A204-S206 VanDerWaalsContact C-N 3.34Å; A204-S206 PolarHBondContact O-N 2.84Å; A204-L207 CarbonylContact O-C 3.53Å; A204-L207 PolarHBondContact O-N 3.11Å; A204-L207 VanDerWaalsContact O-N 3.09Å; A204-G208 PolarHBondContact O-N 2.96Å; A204-G208 VanDerWaalsContact O-N 3.16Å; A204-L209 HydrophobicContact CB-CB 4.32Å; A204-L209 PolarHBondContact O-N 3.02Å; A204-L229 HydrophobicContact CB-CD1 3.42Å; A204-L229 VanDerWaalsContact CB-CD1 3.42Å
205R90.1Very high93.4Very high98 Ų9846.5 Ų46.537%0.3725%0.254SS..Hα-helixtrans-59.7-41.8177.3-68165.6-168.3154.14.8111.8D151 L201 T203 L207 G208 N232D151-R205 IonicContact OD1-CZ 3.61Å; D151-R205 IonicContact OD1-NH1 2.69Å; D151-R205 PolarHBondContact OD1-NH1 2.88Å; D151-R205 IonicContact OD1-NH2 3.78Å; L201-R205 WeakPolarHBondContact O-CB 3.06Å; L201-R205 WeakPolarHBondContact O-CD 3.33Å; L201-R205 WeakPolarHBondContact O-CG 3.41Å; L201-R205 PolarHBondContact O-N 2.81Å; T203-R205 PolarHBondContact O-N 3.03Å; R205-L207 PolarHBondContact O-N 3.5Å; R205-G208 PolarHBondContact O-N 2.91Å; R205-N232 PolarHBondContact NH2-ND2 3.2Å; R205-N232 PolarHBondContact NH2-OD1 2.88Å; R205-N232 VanDerWaalsContact NH2-OD1 3.09Å
206S91Very high93.4Very high95 Ų9545.4 Ų45.466%0.66425%0.249SC*.Hα-helixtrans-64.7-24.6176.973.10000113.9K202 T203 A204K202-S206 WeakPolarHBondContact O-CB 3.5Å; K202-S206 PolarHBondContact O-N 2.8Å; K202-S206 PolarHBondContact O-OG 3.01Å; T203-S206 WeakPolarHBondContact CA-OG 3.46Å; T203-S206 PolarHBondContact O-N 2.97Å; T203-S206 VanDerWaalsContact O-N 3.17Å; T203-S206 PolarHBondContact O-OG 3.2Å; A204-S206 VanDerWaalsContact C-N 3.34Å; A204-S206 PolarHBondContact O-N 2.84Å
207L91.3Very high93.5Very high92 Ų9247.4 Ų47.448%0.48226%0.263SS..THydrogen-bonded Turntrans-93.82.1175.1-63.9172.8000112.8Q173 V174 T203 A204 R205 L209Q173-L207 HydrophobicContact CB-CD1 4.27Å; V174-L207 HydrophobicContact CG2-CD1 4.4Å; T203-L207 HydrophobicContact CG2-CD1 4.11Å; T203-L207 WeakPolarHBondContact O-CG 3.3Å; T203-L207 PolarHBondContact O-N 1.91Å; T203-L207 VanDerWaalsContact O-N 3.1Å; A204-L207 CarbonylContact O-C 3.53Å; A204-L207 PolarHBondContact O-N 3.11Å; A204-L207 VanDerWaalsContact O-N 3.09Å; R205-L207 PolarHBondContact O-N 3.5Å; L207-L209 HydrophobicContact CB-CD1 3.72Å; L207-L209 HydrophobicContact CB-CG 3.8Å; L207-L209 HydrophobicContact CD1-CD1 3.86Å; L207-L209 HydrophobicContact CG-CD1 4.46Å; L207-L209 PolarHBondContact O-N 3.32Å
208G90.4Very high93.7Very high59 Ų5947.6 Ų47.661%0.60826%0.264SS*.THydrogen-bonded Turntrans7014.3-176.100000114.8A204 R205A204-G208 PolarHBondContact O-N 2.96Å; A204-G208 VanDerWaalsContact O-N 3.16Å; R205-G208 PolarHBondContact O-N 2.91Å
209L91.3Very high93.7Very high47 Ų4749 Ų4925%0.24628%0.276CS..  trans-82.7126.7-175-60.4168.1000111.2P171 V174 A204 L207P171-L209 HydrophobicContact CB-CD1 4.27Å; P171-L209 HydrophobicContact CG-CD1 3.66Å; P171-L209 HydrophobicContact CG-CD2 3.92Å; P171-L209 HydrophobicContact CG-CG 4.46Å; V174-L209 HydrophobicContact CG2-CD1 3.52Å; A204-L209 HydrophobicContact CB-CB 4.32Å; A204-L209 PolarHBondContact O-N 3.02Å; L207-L209 HydrophobicContact CB-CD1 3.72Å; L207-L209 HydrophobicContact CB-CG 3.8Å; L207-L209 HydrophobicContact CD1-CD1 3.86Å; L207-L209 HydrophobicContact CG-CD1 4.46Å; L207-L209 PolarHBondContact O-N 3.32Å
210Q91.3Very high93.8Very high136 Ų13651.1 Ų51.164%0.63629%0.289SS*.SBendtrans-103.1-23.9172.5-65.7176.457.900112.1L229Q210-L229 WeakPolarHBondContact O-CB 3.27Å; Q210-L229 PolarHBondContact O-N 3.46Å
211D94.1Very high94Very high69 Ų6954.4 Ų54.437%0.36930%0.3SS..EExtended strand (participates in β ladder)trans-130151.7-175.6-65.9-36.4000110.8I226 R228D211-I226 HydrophobicContact CB-CG2 3.69Å; D211-R228 WeakPolarHBondContact OD1-CA 3Å; D211-R228 VanDerWaalsContact OD1-CG 3.31Å; D211-R228 WeakPolarHBondContact OD1-CG 3.47Å
212L95.4Very high94.3Very high1 Ų159.9 Ų59.91%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-111.4151164.5-60.9179.1000109.7L155 V169 V174 I199 I226 V227 L229L155-L212 HydrophobicContact CD2-CD1 4.02Å; V169-L212 HydrophobicContact CG1-CB 4.45Å; V169-L212 HydrophobicContact CG1-CD1 4.29Å; V174-L212 HydrophobicContact CB-CD2 4.27Å; V174-L212 HydrophobicContact CG1-CD2 4.46Å; V174-L212 HydrophobicContact CG2-CD2 3.95Å; I199-L212 HydrophobicContact CD1-CD1 3.83Å; I199-L212 HydrophobicContact CG1-CD1 3.97Å; I199-L212 HydrophobicContact CG2-CD1 3.95Å; L212-I226 CarbonylContact O-C 3.03Å; L212-I226 WeakPolarHBondContact O-CA 2.97Å; L212-V227 HydrophobicContact CB-CB 4.49Å; L212-V227 PolarHBondContact N-O 2.76Å; L212-V227 PolarHBondContact O-N 2.84Å; L212-L229 HydrophobicContact CD1-CD2 3.86Å; L212-L229 HydrophobicContact CD2-CD1 4.29Å; L212-L229 HydrophobicContact CG-CD1 4.1Å; L212-L229 HydrophobicContact CG-CD2 4Å; L212-L229 HydrophobicContact CG-CG 4.16Å
213V97.1Very high94.6Very high43 Ų4354.8 Ų54.826%0.26131%0.307SS..EExtended strand (participates in β ladder)trans-106.6123.1169.7-177.10000108.5V169 Y170 E224V169-V213 CarbonylContact C-O 3.53Å; V169-V213 WeakPolarHBondContact CA-O 3.45Å; Y170-V213 PolarHBondContact N-O 3.12Å; Y170-V213 PolarHBondContact O-N 2.68Å; V213-E224 HydrophobicContact CG1-CB 4.16Å
214V97.9Very high95Very high0 Ų059.2 Ų59.20%033%0.325CS..EExtended strand (participates in β ladder)trans-100.3122.2168.5-168.40000107.6L139 T141 L155 C157 I167 S168 V169 E224 K225 V227L139-V214 HydrophobicContact CD1-CG1 4.35Å; L139-V214 HydrophobicContact CD2-CB 4.05Å; L139-V214 HydrophobicContact CD2-CG1 3.82Å; L139-V214 WeakPolarHBondContact CD2-O 3.39Å; T141-V214 HydrophobicContact CG2-CB 4.02Å; T141-V214 HydrophobicContact CG2-CG1 4.16Å; T141-V214 HydrophobicContact CG2-CG2 3.86Å; L155-V214 HydrophobicContact CD2-CG2 4.01Å; C157-V214 HydrophobicContact CB-CG1 4.11Å; C157-V214 WeakPolarHBondContact SG-CG1 3.38Å; I167-V214 HydrophobicContact CG2-CG1 4.05Å; S168-V214 WeakPolarHBondContact O-CA 3.24Å; S168-V214 WeakPolarHBondContact O-CG1 3.21Å; V169-V214 HydrophobicContact CG2-CB 4.49Å; V169-V214 HydrophobicContact CG2-CG1 4.13Å; V169-V214 HydrophobicContact CG2-CG2 4.14Å; V214-E224 CarbonylContact O-C 3.58Å; V214-E224 WeakPolarHBondContact O-CA 3.35Å; V214-K225 PolarHBondContact N-O 2.84Å; V214-K225 PolarHBondContact O-N 3.44Å; V214-V227 HydrophobicContact CG2-CG2 3.71Å
215S97.8Very high95.2Very high16 Ų1662.9 Ų62.911%0.11234%0.34CS..EExtended strand (participates in β ladder)trans-111.8127.4-179.8-49.70000109.7S168 E224S168-S215 PolarHBondContact N-O 2.67Å; S168-S215 PolarHBondContact O-N 2.84Å; S168-S215 PolarHBondContact OG-O 3.12Å; S215-E224 PolarHBondContact OG-OE1 2.9Å
216M97.9Very high95.5Very high1 Ų163.6 Ų63.61%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-101.2130.4169.3-178.9-177.965.200109.4V136 S137 L139 A159 P165 G166 N222 E223V136-M216 HydrophobicContact CG1-CE 4.33Å; V136-M216 HydrophobicContact CG2-CE 3.75Å; V136-M216 HydrophobicContact CG2-SD 3.61Å; S137-M216 WeakPolarHBondContact O-CE 3.44Å; L139-M216 HydrophobicContact CB-CB 4.34Å; L139-M216 HydrophobicContact CD1-CB 4.28Å; L139-M216 HydrophobicContact CD2-CB 4.03Å; L139-M216 HydrophobicContact CG-CB 4.44Å; A159-M216 HydrophobicContact CB-SD 3.41Å; A159-M216 WeakPolarHBondContact CB-SD 3.37Å; P165-M216 HydrophobicContact CB-CG 3.89Å; P165-M216 HydrophobicContact CB-SD 3.98Å; P165-M216 HydrophobicContact CG-SD 4.43Å; G166-M216 CarbonylContact O-C 3.57Å; G166-M216 VanDerWaalsContact O-CA 3.28Å; G166-M216 WeakPolarHBondContact O-CA 3.4Å; M216-N222 VanDerWaalsContact O-CA 3.28Å; M216-N222 WeakPolarHBondContact O-CA 3.34Å; M216-E223 HydrophobicContact CB-CB 4.38Å; M216-E223 HydrophobicContact CE-CB 3.73Å; M216-E223 PolarHBondContact N-O 2.87Å; M216-E223 PolarHBondContact O-N 2.9Å
217T97.9Very high95.8Very high74 Ų7459.7 Ų59.745%0.45432%0.323SS..EExtended strand (participates in β ladder)trans-113.4127.4175.255.10000111.3G166 N222G166-T217 PolarHBondContact N-O 2.67Å; G166-T217 PolarHBondContact O-N 2.87Å; T217-N222 VanDerWaalsContact CA-OD1 3.31Å; T217-N222 WeakPolarHBondContact CA-OD1 3.38Å
218H98Very high95.9Very high18 Ų1864.9 Ų64.98%0.08334%0.336CS..  trans-153.2154.1177.9-168.4-97000112.3T135 V136 K162 P163 P165 V220 R221 N222T135-H218 PolarHBondContact N-CE1 2.75Å; T135-H218 VanDerWaalsContact N-CE1 3.32Å; T135-H218 PolarHBondContact O-CE1 2.79Å; T135-H218 PolarHBondContact O-NE2 2.89Å; V136-H218 HydrophobicContact CB-CB 4.24Å; V136-H218 HydrophobicContact CG1-CB 4.27Å; V136-H218 HydrophobicContact CG2-CB 4.06Å; K162-H218 PolarHBondContact N-NE2 3.32Å; K162-H218 VanDerWaalsContact N-NE2 3.2Å; K162-H218 PolarHBondContact O-CE1 3.11Å; K162-H218 PolarHBondContact O-NE2 2.85Å; P163-H218 VanDerWaalsContact CA-NE2 3.28Å; P163-H218 WeakPolarHBondContact CA-NE2 3.28Å; P163-H218 WeakPolarHBondContact CD-NE2 3.23Å; P163-H218 WeakPolarHBondContact CG-NE2 3.49Å; P163-H218 PolarHBondContact O-CD2 2.7Å; P163-H218 VanDerWaalsContact O-CD2 3.29Å; P163-H218 PolarHBondContact O-NE2 2.85Å; P165-H218 HydrophobicContact CB-CB 4.37Å; H218-V220 WeakPolarHBondContact CE1-CG2 3.25Å; H218-V220 PolarHBondContact ND1-N 2.76Å; H218-V220 PolarHBondContact O-N 2.92Å; H218-R221 WeakPolarHBondContact CB-O 3.33Å; H218-R221 PolarHBondContact N-O 2.85Å; H218-R221 CarbonylContact O-C 3.53Å; H218-R221 PolarHBondContact O-N 2.88Å; H218-N222 PolarHBondContact N-OD1 2.98Å; H218-N222 VanDerWaalsContact N-OD1 3.09Å; H218-N222 PolarHBondContact O-OD1 2.9Å
219S95.6Very high96Very high63 Ų6362.8 Ų62.844%0.44131%0.311SS..SBendtrans-64-18.1179.755.90000114.9
220V96.5Very high95.8Very high45 Ų4562.9 Ų62.927%0.27331%0.314SS..SBendtrans-88.9-47.8175.8175.90000111.3V36 I134 V136 H218V36-V220 HydrophobicContact CG1-CG1 3.82Å; V36-V220 HydrophobicContact CG1-CG2 4.4Å; V36-V220 HydrophobicContact CG2-CG1 4.08Å; V36-V220 HydrophobicContact CG2-CG2 4.16Å; I134-V220 HydrophobicContact CB-CG2 4.05Å; I134-V220 HydrophobicContact CD1-CG2 3.63Å; I134-V220 HydrophobicContact CG1-CG2 3.68Å; V136-V220 HydrophobicContact CG1-CB 4.05Å; V136-V220 HydrophobicContact CG1-CG1 4.35Å; H218-V220 WeakPolarHBondContact CE1-CG2 3.25Å; H218-V220 PolarHBondContact ND1-N 2.76Å; H218-V220 PolarHBondContact O-N 2.92Å
221R96.3Very high95.1Very high86 Ų8661.1 Ų61.133%0.32531%0.312SS..  trans-156.6153175.968.6178.2-167.8-9812.3111V136 S137 E138 H218 E223V136-R221 HydrophobicContact CG1-CG 3.73Å; V136-R221 PolarHBondContact O-NH1 2.94Å; S137-R221 PolarHBondContact O-NH2 2.87Å; E138-R221 VanDerWaalsContact N-NH2 3.14Å; H218-R221 WeakPolarHBondContact CB-O 3.33Å; H218-R221 PolarHBondContact N-O 2.85Å; H218-R221 CarbonylContact O-C 3.53Å; H218-R221 PolarHBondContact O-N 2.88Å; R221-E223 IonicContact CZ-OE2 3.59Å; R221-E223 VanDerWaalsContact CZ-OE2 3.23Å; R221-E223 IonicContact NE-OE2 3.79Å; R221-E223 PolarHBondContact NE-OE2 3.46Å; R221-E223 IonicContact NH2-OE2 2.71Å; R221-E223 PolarHBondContact NH2-OE2 2.71Å
222N97.1Very high93.6Very high116 Ų11661.7 Ų61.762%0.6232%0.315SS*.  trans-98.5147.5161.9-59.6-29.6000108.4M216 T217 H218M216-N222 VanDerWaalsContact O-CA 3.28Å; M216-N222 WeakPolarHBondContact O-CA 3.34Å; T217-N222 VanDerWaalsContact CA-OD1 3.31Å; T217-N222 WeakPolarHBondContact CA-OD1 3.38Å; H218-N222 PolarHBondContact N-OD1 2.98Å; H218-N222 VanDerWaalsContact N-OD1 3.09Å; H218-N222 PolarHBondContact O-OD1 2.9Å
223E97.6Very high91.5Very high43 Ų4370.5 Ų70.520%0.20136%0.356CS..EExtended strand (participates in β ladder)trans-141.4135-175.9-164174.9123.700109.1L139 M216 R221L139-E223 WeakPolarHBondContact CB-OE1 3.41Å; L139-E223 PolarHBondContact N-OE1 2.8Å; M216-E223 HydrophobicContact CB-CB 4.38Å; M216-E223 HydrophobicContact CE-CB 3.73Å; M216-E223 PolarHBondContact N-O 2.87Å; M216-E223 PolarHBondContact O-N 2.9Å; R221-E223 IonicContact CZ-OE2 3.59Å; R221-E223 VanDerWaalsContact CZ-OE2 3.23Å; R221-E223 IonicContact NE-OE2 3.79Å; R221-E223 PolarHBondContact NE-OE2 3.46Å; R221-E223 IonicContact NH2-OE2 2.71Å; R221-E223 PolarHBondContact NH2-OE2 2.71Å
224E97.7Very high89.2Confident141 Ų14171.1 Ų71.166%0.65937%0.372SS*.EExtended strand (participates in β ladder)trans-122.4139.5177.9-59.2-157.6132.700110.6V213 V214 S215V213-E224 HydrophobicContact CG1-CB 4.16Å; V214-E224 CarbonylContact O-C 3.58Å; V214-E224 WeakPolarHBondContact O-CA 3.35Å; S215-E224 PolarHBondContact OG-OE1 2.9Å
225K97.4Very high86.7Confident77 Ų7774.1 Ų74.134%0.33540%0.403SS..EExtended strand (participates in β ladder)trans-134.5122.5-174.5-166.7155.4-178.7166.10111L139 T141 V214L139-K225 HydrophobicContact CD2-CB 3.96Å; L139-K225 VanDerWaalsContact O-CD 3.29Å; L139-K225 WeakPolarHBondContact O-CD 3.31Å; L139-K225 PolarHBondContact O-NZ 2.85Å; T141-K225 HydrophobicContact CG2-CB 4.37Å; T141-K225 HydrophobicContact CG2-CD 3.96Å; T141-K225 HydrophobicContact CG2-CG 4.27Å; T141-K225 WeakPolarHBondContact OG1-CD 3.24Å; T141-K225 VanDerWaalsContact OG1-CE 3.25Å; T141-K225 WeakPolarHBondContact OG1-CE 3.12Å; V214-K225 PolarHBondContact N-O 2.84Å; V214-K225 PolarHBondContact O-N 3.44Å
226I96.8Very high84.2Confident114 Ų11479 Ų7959%0.58543%0.432SS*.EExtended strand (participates in β ladder)trans-82.6120.1178.6-54.9179.3000108.7D211 L212D211-I226 HydrophobicContact CB-CG2 3.69Å; L212-I226 CarbonylContact O-C 3.03Å; L212-I226 WeakPolarHBondContact O-CA 2.97Å
227V96.4Very high81.9Confident13 Ų1384.4 Ų84.48%0.07947%0.465CS..EExtended strand (participates in β ladder)trans-107.4111.2176.4176.20000108.2T141 L143 L155 L212 V214T141-V227 HydrophobicContact CG2-CG2 4.16Å; L143-V227 HydrophobicContact CB-CG1 4.19Å; L143-V227 HydrophobicContact CD2-CG1 4.27Å; L155-V227 HydrophobicContact CD1-CG1 4.12Å; L155-V227 HydrophobicContact CD1-CG2 4.21Å; L212-V227 HydrophobicContact CB-CB 4.49Å; L212-V227 PolarHBondContact N-O 2.76Å; L212-V227 PolarHBondContact O-N 2.84Å; V214-V227 HydrophobicContact CG2-CG2 3.71Å
228R94.3Very high80.3Confident201 Ų20185.3 Ų85.376%0.75847%0.467SS*.EExtended strand (participates in β ladder)trans-72.9132.3178.3-52.3-160.2172.41401110.6D211D211-R228 WeakPolarHBondContact OD1-CA 3Å; D211-R228 VanDerWaalsContact OD1-CG 3.31Å; D211-R228 WeakPolarHBondContact OD1-CG 3.47Å
229L91.9Very high78.7Confident15 Ų1589.6 Ų89.68%0.07950%0.497CS..  trans-85.3145175.1-63177.5000110.6L143 I199 L201 A204 Q210 L212 V231L143-L229 HydrophobicContact CD2-CD2 4.11Å; I199-L229 HydrophobicContact CG2-CD2 4.1Å; L201-L229 HydrophobicContact CD2-CB 4.1Å; L201-L229 HydrophobicContact CD2-CD1 4.46Å; L201-L229 HydrophobicContact CD2-CD2 4.09Å; L201-L229 HydrophobicContact CD2-CG 4.46Å; A204-L229 HydrophobicContact CB-CD1 3.42Å; A204-L229 VanDerWaalsContact CB-CD1 3.42Å; Q210-L229 WeakPolarHBondContact O-CB 3.27Å; Q210-L229 PolarHBondContact O-N 3.46Å; L212-L229 HydrophobicContact CD1-CD2 3.86Å; L212-L229 HydrophobicContact CD2-CD1 4.29Å; L212-L229 HydrophobicContact CG-CD1 4.1Å; L212-L229 HydrophobicContact CG-CD2 4Å; L212-L229 HydrophobicContact CG-CG 4.16Å; L229-V231 PolarHBondContact O-N 3.11Å; L229-V231 VanDerWaalsContact O-N 3.08Å
230P86.3Confident77.5Confident49 Ų4990.9 Ų90.932%0.31851%0.505SS..  trans-64.4112.9173.926.2-34.7000110.7L201 N232L201-P230 HydrophobicContact CD1-CG 3.69Å; L201-P230 HydrophobicContact CD2-CG 3.95Å; L201-P230 HydrophobicContact CG-CG 4.48Å; P230-N232 PolarHBondContact O-N 3.46Å
231V77.1Confident76.6Confident99 Ų9993.4 Ų93.460%0.652%0.516SS*.  trans-74112165.5179.50000107.1L229 Q233L229-V231 PolarHBondContact O-N 3.11Å; L229-V231 VanDerWaalsContact O-N 3.08Å; V231-Q233 VanDerWaalsContact C-N 3.34Å; V231-Q233 PolarHBondContact O-N 2.9Å
232N63Low75.6Confident81 Ų8193.8 Ų93.843%0.43353%0.525SS..  trans-64.2103.1163.9-77.719.5000106.6R205 P230 G234R205-N232 PolarHBondContact NH2-ND2 3.2Å; R205-N232 PolarHBondContact NH2-OD1 2.88Å; R205-N232 VanDerWaalsContact NH2-OD1 3.09Å; P230-N232 PolarHBondContact O-N 3.46Å; N232-G234 PolarHBondContact O-N 2.86Å
233Q51.1Low74.8Confident185 Ų18597.4 Ų97.486%0.86453%0.53SS*.  trans-68.665.5154.6-68.6-173.614.600108.1V231 G235V231-Q233 VanDerWaalsContact C-N 3.34Å; V231-Q233 PolarHBondContact O-N 2.9Å; Q233-G235 PolarHBondContact O-N 2.78Å
234G48.7Very low74.2Confident57 Ų57100.3 Ų100.359%0.58855%0.545SS*.  trans-58.8101.814900000104.5N232 T236N232-G234 PolarHBondContact O-N 2.86Å; G234-T236 VanDerWaalsContact C-N 3.3Å; G234-T236 PolarHBondContact O-N 2.87Å
235G46.3Very low73.7Confident63 Ų6398.2 Ų98.265%0.64954%0.537SS*.  trans-59.198.2-178.900000108.1Q233 T237Q233-G235 PolarHBondContact O-N 2.78Å; G235-T237 PolarHBondContact O-N 2.9Å
236T44.3Very low73.2Confident119 Ų11997.2 Ų97.273%0.7354%0.537SS*.  trans-69.479.8169.323.60000107G234 N238G234-T236 VanDerWaalsContact C-N 3.3Å; G234-T236 PolarHBondContact O-N 2.87Å; T236-N238 PolarHBondContact O-N 2.85Å
237T50.6Low72.9Confident114 Ų11493.6 Ų93.670%0.69952%0.524SS*.  trans-55.483.3149.143.50000106.1G235 P239G235-T237 PolarHBondContact O-N 2.9Å; T237-P239 WeakPolarHBondContact O-CD 3.26Å
238N62.6Low72.7Confident93 Ų9397.2 Ų97.250%0.49754%0.542SS..  trans-47.6112.2-178.4-96.8-57.5000107.2T236 C240 L241 N242T236-N238 PolarHBondContact O-N 2.85Å; N238-C240 PolarHBondContact O-N 2.95Å; N238-C240 VanDerWaalsContact O-N 3.11Å; N238-L241 HydrophobicContact CB-CB 3.59Å; N238-L241 WeakPolarHBondContact O-CA 3.42Å; N238-L241 WeakPolarHBondContact O-CB 3.16Å; N238-L241 PolarHBondContact O-N 2.02Å; N238-N242 PolarHBondContact O-N 3.49Å
239P66.4Low72.7Confident108 Ų10890.3 Ų90.370%0.70153%0.528SS*.Hα-helixtrans-59-34-172.3-27.636.1000110.8T237 W243T237-P239 WeakPolarHBondContact O-CD 3.26Å; P239-W243 WeakPolarHBondContact O-CB 3.26Å; P239-W243 PolarHBondContact O-N 2.8Å
240C70.4Confident72.8Confident90 Ų9096.5 Ų96.561%0.60856%0.555SS**Hα-helixtrans-63.4-41.7171.6-168.60000113.8N238 W243 M244N238-C240 PolarHBondContact O-N 2.95Å; N238-C240 VanDerWaalsContact O-N 3.11Å; C240-W243 PolarHBondContact O-N 2.86Å; C240-M244 WeakPolarHBondContact O-CB 3.49Å; C240-M244 PolarHBondContact O-N 2.84Å
241L75.9Confident73.3Confident98 Ų9899 Ų9951%0.51356%0.564SS.*Hα-helixtrans-67.9-43.1177.7-169.278.4000110.9N238 W243 M244 I245N238-L241 HydrophobicContact CB-CB 3.59Å; N238-L241 WeakPolarHBondContact O-CA 3.42Å; N238-L241 WeakPolarHBondContact O-CB 3.16Å; N238-L241 PolarHBondContact O-N 2.02Å; L241-W243 VanDerWaalsContact C-N 3.34Å; L241-M244 WeakPolarHBondContact O-CB 3.17Å; L241-M244 PolarHBondContact O-N 3.5Å; L241-I245 HydrophobicContact CG-CD1 4.25Å; L241-I245 VanDerWaalsContact O-CG1 3.29Å; L241-I245 WeakPolarHBondContact O-CG1 3.4Å; L241-I245 PolarHBondContact O-N 2.85Å
242N75.3Confident74.1Confident93 Ų9398.9 Ų98.950%0.49756%0.559SS.*Hα-helixtrans-67.3-37.9177.7-154.925.3000111.2N238 I245 T246N238-N242 PolarHBondContact O-N 3.49Å; N242-I245 PolarHBondContact O-N 2.67Å; N242-T246 WeakPolarHBondContact O-CG2 3.23Å; N242-T246 PolarHBondContact O-N 3.2Å; N242-T246 PolarHBondContact O-OG1 2.91Å
243W81.8Confident75.7Confident193 Ų193100.7 Ų100.773%0.73157%0.568SS**Hα-helixtrans-64.2-38.9171.7-175.6-92.1000113.1P239 C240 L241 T246 A247P239-W243 WeakPolarHBondContact O-CB 3.26Å; P239-W243 PolarHBondContact O-N 2.8Å; C240-W243 PolarHBondContact O-N 2.86Å; L241-W243 VanDerWaalsContact C-N 3.34Å; W243-T246 WeakPolarHBondContact CA-OG1 3.16Å; W243-T246 PolarHBondContact O-OG1 3.03Å; W243-T246 VanDerWaalsContact O-OG1 3.07Å; W243-A247 VanDerWaalsContact O-CB 3.24Å; W243-A247 WeakPolarHBondContact O-CB 3.44Å; W243-A247 PolarHBondContact O-N 2.83Å
244M83.9Confident77.8Confident104 Ų10498.6 Ų98.651%0.51256%0.557SS.*Hα-helixtrans-61.4-45.7171-88.7-179.660.500111.4C240 L241 A247 I248C240-M244 WeakPolarHBondContact O-CB 3.49Å; C240-M244 PolarHBondContact O-N 2.84Å; L241-M244 WeakPolarHBondContact O-CB 3.17Å; L241-M244 PolarHBondContact O-N 3.5Å; M244-A247 PolarHBondContact O-N 2.84Å; M244-I248 WeakPolarHBondContact O-CB 3.27Å; M244-I248 WeakPolarHBondContact O-CD1 3.22Å; M244-I248 WeakPolarHBondContact O-CG1 3.13Å; M244-I248 PolarHBondContact O-N 2.8Å
245I87.4Confident80Confident97 Ų97100.5 Ų100.550%0.49755%0.553SS.*Hα-helixtrans-62.8-44.7-179.9-68.4162.9000110.9L241 N242 A249L241-I245 HydrophobicContact CG-CD1 4.25Å; L241-I245 VanDerWaalsContact O-CG1 3.29Å; L241-I245 WeakPolarHBondContact O-CG1 3.4Å; L241-I245 PolarHBondContact O-N 2.85Å; N242-I245 PolarHBondContact O-N 2.67Å; I245-A249 WeakPolarHBondContact O-CB 3.44Å; I245-A249 PolarHBondContact O-N 2.05Å
246T87.5Confident82.3Confident56 Ų56100.9 Ų100.934%0.34454%0.543SS..Hα-helixtrans-66.4-43.2176.954.90000112.1N242 W243 I248 A249 F250N242-T246 WeakPolarHBondContact O-CG2 3.23Å; N242-T246 PolarHBondContact O-N 3.2Å; N242-T246 PolarHBondContact O-OG1 2.91Å; W243-T246 WeakPolarHBondContact CA-OG1 3.16Å; W243-T246 PolarHBondContact O-OG1 3.03Å; W243-T246 VanDerWaalsContact O-OG1 3.07Å; T246-I248 PolarHBondContact O-N 3.35Å; T246-A249 PolarHBondContact O-N 2.88Å; T246-F250 WeakPolarHBondContact O-CD2 3.18Å; T246-F250 PolarHBondContact O-N 2.84Å
247A90.1Very high84.7Confident38 Ų3898.3 Ų98.331%0.31453%0.53SS..Hα-helixtrans-60-44.4176.400000112.4W243 M244 A249 F250 I251W243-A247 VanDerWaalsContact O-CB 3.24Å; W243-A247 WeakPolarHBondContact O-CB 3.44Å; W243-A247 PolarHBondContact O-N 2.83Å; M244-A247 PolarHBondContact O-N 2.84Å; A247-A249 PolarHBondContact O-N 2.86Å; A247-F250 PolarHBondContact O-N 3.03Å; A247-I251 WeakPolarHBondContact O-CG1 3.44Å; A247-I251 PolarHBondContact O-N 3.15Å
248I93.1Very high86.8Confident88 Ų8895.6 Ų95.645%0.45152%0.515SS..Hα-helixtrans-61.8-43.2175.8-69.5164.2000110.7M244 T246 F250 I251 I252M244-I248 WeakPolarHBondContact O-CB 3.27Å; M244-I248 WeakPolarHBondContact O-CD1 3.22Å; M244-I248 WeakPolarHBondContact O-CG1 3.13Å; M244-I248 PolarHBondContact O-N 2.8Å; T246-I248 PolarHBondContact O-N 3.35Å; I248-F250 PolarHBondContact O-N 2.99Å; I248-I251 PolarHBondContact O-N 3.06Å; I248-I252 HydrophobicContact CG2-CD1 3.81Å; I248-I252 WeakPolarHBondContact O-CG1 3.39Å; I248-I252 PolarHBondContact O-N 3.46Å
249A93.3Very high88.3Confident56 Ų5696.4 Ų96.446%0.46352%0.518SS..Hα-helixtrans-61.5-41.9177.400000112.6I245 T246 A247 I252 L253I245-A249 WeakPolarHBondContact O-CB 3.44Å; I245-A249 PolarHBondContact O-N 2.05Å; T246-A249 PolarHBondContact O-N 2.88Å; A247-A249 PolarHBondContact O-N 2.86Å; A249-I252 PolarHBondContact O-N 3.39Å; A249-L253 WeakPolarHBondContact O-CB 3.23Å; A249-L253 PolarHBondContact O-N 3.35Å
250F94.8Very high89.7Confident145 Ų14595.6 Ų95.664%0.63651%0.507SS*.Hα-helixtrans-64.6-40175.4-76.8-63.4000112.9T246 A247 I248 L253 F254T246-F250 WeakPolarHBondContact O-CD2 3.18Å; T246-F250 PolarHBondContact O-N 2.84Å; A247-F250 PolarHBondContact O-N 3.03Å; I248-F250 PolarHBondContact O-N 2.99Å; F250-L253 PolarHBondContact O-N 2.84Å; F250-F254 WeakPolarHBondContact O-CB 3.38Å; F250-F254 PolarHBondContact O-N 3.42Å
251I95.1Very high90.6Very high102 Ų10294.5 Ų94.552%0.52350%0.5SS..Hα-helixtrans-62.3-45.8176-67.7163.9000110.5A247 I248 L253 F254 L255A247-I251 WeakPolarHBondContact O-CG1 3.44Å; A247-I251 PolarHBondContact O-N 3.15Å; I248-I251 PolarHBondContact O-N 3.06Å; I251-L253 PolarHBondContact O-N 3.15Å; I251-F254 PolarHBondContact O-N 2.87Å; I251-L255 HydrophobicContact CG2-CD1 4.09Å; I251-L255 WeakPolarHBondContact O-CG 3.36Å; I251-L255 PolarHBondContact O-N 2.81Å
252I95.1Very high91.4Very high96 Ų9692.1 Ų92.149%0.49249%0.494SS..Hα-helixtrans-61.6-45.3177.6-66.8166000110.7I248 A249 F254 L255 V256I248-I252 HydrophobicContact CG2-CD1 3.81Å; I248-I252 WeakPolarHBondContact O-CG1 3.39Å; I248-I252 PolarHBondContact O-N 3.46Å; A249-I252 PolarHBondContact O-N 3.39Å; I252-F254 VanDerWaalsContact C-N 3.33Å; I252-F254 PolarHBondContact O-N 3.29Å; I252-L255 PolarHBondContact O-N 3.01Å; I252-V256 HydrophobicContact CG2-CG2 4.47Å; I252-V256 WeakPolarHBondContact O-CG2 3.41Å; I252-V256 PolarHBondContact O-N 3.01Å
253L95.6Very high92.2Very high119 Ų11992 Ų9262%0.62350%0.497SS*.Hα-helixtrans-61-41.5178.6-16775.8000112A249 F250 I251 V256 S257A249-L253 WeakPolarHBondContact O-CB 3.23Å; A249-L253 PolarHBondContact O-N 3.35Å; F250-L253 PolarHBondContact O-N 2.84Å; I251-L253 PolarHBondContact O-N 3.15Å; L253-V256 PolarHBondContact O-N 2.82Å; L253-S257 WeakPolarHBondContact O-CB 3.49Å; L253-S257 PolarHBondContact O-N 3.02Å
254F95.1Very high92.7Very high141 Ų14186.9 Ų86.962%0.61848%0.483SS*.Hα-helixtrans-62.9-47.6175.9-177.9-100.1000111.7F250 I251 I252 V256 S257 C258F250-F254 WeakPolarHBondContact O-CB 3.38Å; F250-F254 PolarHBondContact O-N 3.42Å; I251-F254 PolarHBondContact O-N 2.87Å; I252-F254 VanDerWaalsContact C-N 3.33Å; I252-F254 PolarHBondContact O-N 3.29Å; F254-V256 PolarHBondContact O-N 2.91Å; F254-S257 WeakPolarHBondContact O-CB 3.47Å; F254-S257 PolarHBondContact O-N 3.41Å; F254-C258 PolarHBondContact O-N 3.41Å; F254-C258 PolarHBondContact O-SG 3.48Å; F254-C258 VanDerWaalsContact O-SG 3.37Å
255L95.1Very high93Very high97 Ų9789 Ų8951%0.50849%0.487SS..Hα-helixtrans-60.1-43.3177.6-69.3172000112.2I251 I252 C258 I259I251-L255 HydrophobicContact CG2-CD1 4.09Å; I251-L255 WeakPolarHBondContact O-CG 3.36Å; I251-L255 PolarHBondContact O-N 2.81Å; I252-L255 PolarHBondContact O-N 3.01Å; L255-C258 PolarHBondContact O-N 2.92Å; L255-I259 VanDerWaalsContact O-CG1 3.32Å; L255-I259 WeakPolarHBondContact O-CG1 3.5Å; L255-I259 PolarHBondContact O-N 3.43Å
256V95.7Very high93.1Very high72 Ų7289.7 Ų89.744%0.43649%0.49SS..Hα-helixtrans-62.4-42.7175.3171.80000111.2I252 L253 F254 C258 I259 I260I252-V256 HydrophobicContact CG2-CG2 4.47Å; I252-V256 WeakPolarHBondContact O-CG2 3.41Å; I252-V256 PolarHBondContact O-N 3.01Å; L253-V256 PolarHBondContact O-N 2.82Å; F254-V256 PolarHBondContact O-N 2.91Å; V256-C258 PolarHBondContact O-N 2.74Å; V256-I259 PolarHBondContact O-N 2.79Å; V256-I260 HydrophobicContact CG1-CD1 3.8Å; V256-I260 HydrophobicContact CG1-CG1 4.45Å; V256-I260 WeakPolarHBondContact O-CG1 3.21Å; V256-I260 PolarHBondContact O-N 3.3Å
257S94.8Very high93.1Very high65 Ų6593.8 Ų93.846%0.45550%0.5SS..Hα-helixtrans-61.5-42.3175.7-174.20000112.6L253 F254 I260 S261L253-S257 WeakPolarHBondContact O-CB 3.49Å; L253-S257 PolarHBondContact O-N 3.02Å; F254-S257 WeakPolarHBondContact O-CB 3.47Å; F254-S257 PolarHBondContact O-N 3.41Å; S257-I260 PolarHBondContact O-N 2.74Å; S257-S261 WeakPolarHBondContact O-CB 3.34Å; S257-S261 PolarHBondContact O-N 3.29Å; S257-S261 PolarHBondContact O-OG 3.41Å
258C94.3Very high92.6Very high57 Ų5797.9 Ų97.939%0.38551%0.511SS..Hα-helixtrans-62.2-42.6174.3-69.40000112.2F254 L255 V256 S261 A262F254-C258 PolarHBondContact O-N 3.41Å; F254-C258 PolarHBondContact O-SG 3.48Å; F254-C258 VanDerWaalsContact O-SG 3.37Å; L255-C258 PolarHBondContact O-N 2.92Å; V256-C258 PolarHBondContact O-N 2.74Å; C258-S261 PolarHBondContact O-N 3.3Å; C258-A262 WeakPolarHBondContact O-CB 3.36Å; C258-A262 PolarHBondContact O-N 3.25Å
259I94.6Very high91.9Very high110 Ų11098.1 Ų98.156%0.56451%0.51SS*.Hα-helixtrans-63.3-47.6177-68.6164.7000110.8L255 V256 S261 A262 V263L255-I259 VanDerWaalsContact O-CG1 3.32Å; L255-I259 WeakPolarHBondContact O-CG1 3.5Å; L255-I259 PolarHBondContact O-N 3.43Å; V256-I259 PolarHBondContact O-N 2.79Å; I259-S261 VanDerWaalsContact C-N 3.32Å; I259-S261 PolarHBondContact O-N 2.77Å; I259-A262 PolarHBondContact O-N 2.75Å; I259-V263 HydrophobicContact CG2-CG2 4.47Å; I259-V263 WeakPolarHBondContact O-CG2 3.44Å; I259-V263 PolarHBondContact O-N 3.02Å
260I94.3Very high91.2Very high91 Ų91102.5 Ų102.547%0.46752%0.519SS..Hα-helixtrans-59.3-45.2177-67.8166.1000110.5V256 S257 A262 V263 L264V256-I260 HydrophobicContact CG1-CD1 3.8Å; V256-I260 HydrophobicContact CG1-CG1 4.45Å; V256-I260 WeakPolarHBondContact O-CG1 3.21Å; V256-I260 PolarHBondContact O-N 3.3Å; S257-I260 PolarHBondContact O-N 2.74Å; I260-A262 PolarHBondContact O-N 2.76Å; I260-V263 PolarHBondContact O-N 3.47Å; I260-L264 HydrophobicContact CG2-CD1 3.92Å; I260-L264 HydrophobicContact CG2-CG 4.39Å; I260-L264 WeakPolarHBondContact O-CB 3.45Å; I260-L264 WeakPolarHBondContact O-CG 3.37Å; I260-L264 PolarHBondContact O-N 3.11Å
261S90.9Very high90.2Very high66 Ų66101 Ų10146%0.46251%0.512SS..Hα-helixtrans-62.7-41178.8-59.20000112.3S257 C258 I259 Y265S257-S261 WeakPolarHBondContact O-CB 3.34Å; S257-S261 PolarHBondContact O-N 3.29Å; S257-S261 PolarHBondContact O-OG 3.41Å; C258-S261 PolarHBondContact O-N 3.3Å; I259-S261 VanDerWaalsContact C-N 3.32Å; I259-S261 PolarHBondContact O-N 2.77Å; S261-Y265 VanDerWaalsContact O-CB 3.31Å; S261-Y265 WeakPolarHBondContact O-CB 3.17Å; S261-Y265 PolarHBondContact O-N 3.44Å
262A92.3Very high88.6Confident49 Ų49104.7 Ų104.741%0.40552%0.52SS..Hα-helixtrans-66.4-42.8175.700000112.2C258 I259 I260 Y265 I266C258-A262 WeakPolarHBondContact O-CB 3.36Å; C258-A262 PolarHBondContact O-N 3.25Å; I259-A262 PolarHBondContact O-N 2.75Å; I260-A262 PolarHBondContact O-N 2.76Å; A262-Y265 PolarHBondContact O-N 2.73Å; A262-I266 VanDerWaalsContact O-CG1 3.27Å; A262-I266 WeakPolarHBondContact O-CG1 3.24Å; A262-I266 PolarHBondContact O-N 3.31Å
263V92.6Very high86.9Confident91 Ų91104.8 Ų104.855%0.55253%0.529SS*.Hα-helixtrans-63-44.3175.8170.70000111.1I259 I260 I266 Y267I259-V263 HydrophobicContact CG2-CG2 4.47Å; I259-V263 WeakPolarHBondContact O-CG2 3.44Å; I259-V263 PolarHBondContact O-N 3.02Å; I260-V263 PolarHBondContact O-N 3.47Å; V263-I266 PolarHBondContact O-N 3.44Å; V263-Y267 WeakPolarHBondContact O-CB 3.43Å; V263-Y267 PolarHBondContact O-N 3.47Å
264L90.9Very high85.2Confident85 Ų85104.9 Ų104.945%0.44553%0.53SS..Hα-helixtrans-61.9-44.6174.3-72.7172.6000111.4I260 I266 Y267 F268I260-L264 HydrophobicContact CG2-CD1 3.92Å; I260-L264 HydrophobicContact CG2-CG 4.39Å; I260-L264 WeakPolarHBondContact O-CB 3.45Å; I260-L264 WeakPolarHBondContact O-CG 3.37Å; I260-L264 PolarHBondContact O-N 3.11Å; L264-I266 PolarHBondContact O-N 2.98Å; L264-Y267 WeakPolarHBondContact O-CB 3.45Å; L264-Y267 PolarHBondContact O-N 3.46Å; L264-F268 HydrophobicContact CB-CD2 4.43Å; L264-F268 HydrophobicContact CB-CE2 4.46Å; L264-F268 WeakPolarHBondContact O-CD2 3.3Å; L264-F268 PolarHBondContact O-N 2.91Å
265Y91.2Very high83.4Confident148 Ų148103.8 Ų103.858%0.5853%0.53SS*.Hα-helixtrans-59.4-45.7176.7-179.9-94.6000112.1S261 A262 F268 Q269S261-Y265 VanDerWaalsContact O-CB 3.31Å; S261-Y265 WeakPolarHBondContact O-CB 3.17Å; S261-Y265 PolarHBondContact O-N 3.44Å; A262-Y265 PolarHBondContact O-N 2.73Å; Y265-F268 PolarHBondContact O-N 2.89Å; Y265-Q269 HydrophobicContact CD1-CG 4.12Å; Y265-Q269 HydrophobicContact CE1-CG 3.71Å; Y265-Q269 HydrophobicContact CE2-CG 4.48Å; Y265-Q269 WeakPolarHBondContact O-CB 3.43Å; Y265-Q269 WeakPolarHBondContact O-CG 3.47Å; Y265-Q269 PolarHBondContact O-N 3.48Å; Y265-Q269 PolarHBondContact OH-NE2 3.33Å
266I89.3Confident81Confident111 Ų111106.3 Ų106.357%0.56954%0.541SS*.Hα-helixtrans-63.6-41.2176-68164.1000111A262 V263 L264 Q269 K270A262-I266 VanDerWaalsContact O-CG1 3.27Å; A262-I266 WeakPolarHBondContact O-CG1 3.24Å; A262-I266 PolarHBondContact O-N 3.31Å; V263-I266 PolarHBondContact O-N 3.44Å; L264-I266 PolarHBondContact O-N 2.98Å; I266-Q269 PolarHBondContact O-N 2.97Å; I266-K270 WeakPolarHBondContact O-CB 3.42Å; I266-K270 PolarHBondContact O-N 2.94Å
267Y87.1Confident78.8Confident143 Ų143108.1 Ų108.156%0.56156%0.555SS**Hα-helixtrans-63-44.4175.4176.5-103.5000112.2V263 L264 K270 K271V263-Y267 WeakPolarHBondContact O-CB 3.43Å; V263-Y267 PolarHBondContact O-N 3.47Å; L264-Y267 WeakPolarHBondContact O-CB 3.45Å; L264-Y267 PolarHBondContact O-N 3.46Å; Y267-K270 PolarHBondContact O-N 3.47Å; Y267-K271 WeakPolarHBondContact O-CB 3.42Å; Y267-K271 PolarHBondContact O-N 3.27Å
268F80.3Confident76.5Confident123 Ų123114.2 Ų114.254%0.53958%0.576SS.*Hα-helixtrans-68-39.5176.3-79-64.9000112.6L264 Y265 K271 R272L264-F268 HydrophobicContact CB-CD2 4.43Å; L264-F268 HydrophobicContact CB-CE2 4.46Å; L264-F268 WeakPolarHBondContact O-CD2 3.3Å; L264-F268 PolarHBondContact O-N 2.91Å; Y265-F268 PolarHBondContact O-N 2.89Å; F268-K271 PolarHBondContact O-N 2.93Å; F268-R272 WeakPolarHBondContact O-CB 3.31Å; F268-R272 PolarHBondContact O-N 3.4Å
269Q78.1Confident74.1Confident93 Ų93117 Ų11744%0.43559%0.594SS.*Hα-helixtrans-57.8-49171-80.6-78.32600111.1Y265 I266 K271 R272 S273Y265-Q269 HydrophobicContact CD1-CG 4.12Å; Y265-Q269 HydrophobicContact CE1-CG 3.71Å; Y265-Q269 HydrophobicContact CE2-CG 4.48Å; Y265-Q269 WeakPolarHBondContact O-CB 3.43Å; Y265-Q269 WeakPolarHBondContact O-CG 3.47Å; Y265-Q269 PolarHBondContact O-N 3.48Å; Y265-Q269 PolarHBondContact OH-NE2 3.33Å; I266-Q269 PolarHBondContact O-N 2.97Å; Q269-K271 PolarHBondContact O-N 2.99Å; Q269-R272 PolarHBondContact O-N 3.05Å; Q269-R272 VanDerWaalsContact O-N 3.14Å; Q269-S273 PolarHBondContact O-N 3.36Å
270K78.4Confident71.3Confident148 Ų148117.8 Ų117.864%0.64361%0.609SS**Hα-helixtrans-64-39.9177.8-169166.1-175.8172.10112.3I266 Y267 R272 S273 N274I266-K270 WeakPolarHBondContact O-CB 3.42Å; I266-K270 PolarHBondContact O-N 2.94Å; Y267-K270 PolarHBondContact O-N 3.47Å; K270-R272 VanDerWaalsContact C-N 3.32Å; K270-R272 PolarHBondContact O-N 3.46Å; K270-S273 PolarHBondContact O-N 2.9Å; K270-N274 PolarHBondContact O-N 3.13Å; K270-N274 PolarHBondContact O-OD1 3.46Å
271K73.4Confident68.6Low113 Ų113118.3 Ų118.349%0.49162%0.621SS.*Hα-helixtrans-63.9-35.9173.1-172.8174.6179.5179.60112Y267 F268 Q269 N274 N275Y267-K271 WeakPolarHBondContact O-CB 3.42Å; Y267-K271 PolarHBondContact O-N 3.27Å; F268-K271 PolarHBondContact O-N 2.93Å; Q269-K271 PolarHBondContact O-N 2.99Å; K271-N274 PolarHBondContact O-N 3.36Å; K271-N275 PolarHBondContact O-ND2 3.17Å
272R62.3Low66Low181 Ų181121.2 Ų121.268%0.68364%0.636SS**Hα-helixtrans-71.6-39.2177-163175.3-171.2174.22112F268 Q269 K270 N274 N275F268-R272 WeakPolarHBondContact O-CB 3.31Å; F268-R272 PolarHBondContact O-N 3.4Å; Q269-R272 PolarHBondContact O-N 3.05Å; Q269-R272 VanDerWaalsContact O-N 3.14Å; K270-R272 VanDerWaalsContact C-N 3.32Å; K270-R272 PolarHBondContact O-N 3.46Å; R272-N274 PolarHBondContact O-N 3.3Å; R272-N275 PolarHBondContact O-N 3.34Å
273S59.8Low63.1Low98 Ų98127.9 Ų127.969%0.68566%0.659SS**Hα-helixtrans-62-28.1174-169.10000113.5Q269 K270Q269-S273 PolarHBondContact O-N 3.36Å; K270-S273 PolarHBondContact O-N 2.9Å
274N58.8Low60.3Low120 Ų120130.8 Ų130.864%0.64267%0.668SS**THydrogen-bonded Turntrans-85.8-2179.2-70.63.1000114K270 K271 R272K270-N274 PolarHBondContact O-N 3.13Å; K270-N274 PolarHBondContact O-OD1 3.46Å; K271-N274 PolarHBondContact O-N 3.36Å; R272-N274 PolarHBondContact O-N 3.3Å
275N56.5Low58.4Low118 Ų118132.4 Ų132.463%0.63168%0.684SS**SBendtrans-13428.5-168-74.2-71.4000114.3K271 R272K271-N275 PolarHBondContact O-ND2 3.17Å; R272-N275 PolarHBondContact O-N 3.34Å
276M44.7Very low55.5Low150 Ų150131.6 Ų131.674%0.73969%0.689SS**  trans-118.3123.1174.5-162.5100.492.500111.5
277P51.1Low54Low111 Ų111131.8 Ų131.872%0.72170%0.698SS**PPolyproline II helixtrans-69.9159.6167.9-1731.7000112.9
278E45.4Very low51.3Low192 Ų192132.4 Ų132.490%0.89771%0.71SS**PPolyproline II helixtrans-67.9129.8177.6-176.9177.2-162.300112.8
279P44.4Very low49.2Very low116 Ų116131.1 Ų131.175%0.75372%0.716SS**PPolyproline II helixtrans-103.3133.717134.8-27.6000112.9
280S34.9Very low47Very low126 Ų126132.4 Ų132.488%0.88173%0.73SS**  trans-76.5174.2176.153.60000114.1
281S37.9Very low44.9Very low103 Ų103133.1 Ų133.172%0.7274%0.741SS**  trans-89.9172.1-153.360.20000118.6
282T36.8Very low43.2Very low127 Ų127133.6 Ų133.678%0.77975%0.753SS**  trans77.2134.3158.16.30000115.7
283Q32.3Very low42.5Very low189 Ų189129.9 Ų129.988%0.88375%0.752SS**  cis-172.6164.549-164.7168.37.400111.2
284M33.7Very low41.2Very low151 Ų151131.5 Ų131.574%0.74476%0.758SS**  trans-108.6161.1173-130.3-144.4-150.900110
285P50.2Low41.1Very low120 Ų120131.1 Ų131.178%0.77976%0.762SS**  -153.5176.960.439.6-16.6000119.8
286N29.3Very low40.7Very low131 Ų131130.6 Ų130.670%0.70177%0.765SS**  trans-36.2-179.1161.6-85.6-8.9000119.7
287P58.7Low40.2Very low115 Ų115128.3 Ų128.375%0.74776%0.764SS**  cis-141.2-162.4-32.839.1-18.9000114
288L31.5Very low39.5Very low155 Ų155128.5 Ų128.581%0.81276%0.763SS**  137.3137.2128.9-168.561.1000119.4
289S34.9Very low39Very low96 Ų96127.2 Ų127.267%0.67176%0.757SS**  trans62.9134.5162.7-70.70000120.9
290T31.8Very low38.7Very low120 Ų120127 Ų12774%0.73675%0.753SS**  cis99.511125.9-59.80000114.5
291L34.7Very low38.9Very low164 Ų164129.1 Ų129.186%0.85975%0.75SS**  trans-168.6163.8139.3-134.584.8000115.3
292V36.8Very low38.7Very low123 Ų123131.6 Ų131.675%0.74576%0.755SS**  trans-164.3-179.4-172.9-118.90000107.8
293P48.9Very low38.6Very low102 Ų102132.5 Ų132.566%0.66275%0.754SS**  cis-141.4179.5-6.931.4-7.4000117.7
294T32.6Very low38.8Very low133 Ų133131 Ų13182%0.81675%0.749SS**  trans80.6156.214038.80000124.6
295P56.8Low38.9Very low112 Ų112135.6 Ų135.673%0.72776%0.758SS**  trans-111.8-159.4-162.644.2-32.4000114.3
296P48Very low38.4Very low107 Ų107137 Ų13770%0.69575%0.754SS**  -158.2170.883.842.2-21.2000120.1
297S34.1Very low38.8Very low102 Ų102139 Ų13971%0.71376%0.759SS**  trans58.8156.5144.861.90000121
298T36.3Very low37.9Very low114 Ų114139.6 Ų139.670%0.69976%0.764SS**  cis-155.416513.2-19.80000111.8
299E34.8Very low38.5Very low166 Ų166140.2 Ų140.278%0.77676%0.762SS**  trans-15.1161.9151-73164.3118.200119.9
300T37.3Very low38.6Very low110 Ų110140.4 Ų140.468%0.67576%0.764SS**  cis-157.6161.236.74.10000115.4
301E39.4Very low39.4Very low172 Ų172144.1 Ų144.180%0.80477%0.773SS**  trans49.194.9143.4-68.4179.2119.300124.5
302N33.3Very low40Very low155 Ų155146.2 Ų146.283%0.82979%0.793SS**  20.5125.7108.7-80.5-26.2000122.9
303L36.3Very low40.2Very low146 Ų146147.4 Ų147.476%0.76480%0.795SS**  84.2116.5120.3-153.479.1000122
304M34.6Very low39.7Very low156 Ų156149.7 Ų149.777%0.76880%0.802SS**  trans41124.4149.8-65.6-178.317300121.1
305R36.7Very low40.1Very low249 Ų249150.7 Ų150.794%0.9480%0.801SS**  trans-133.3135.1134.7-158.3177.6-64.8-174.92.3111.6
306H39.4Very low39.1Very low150 Ų150152.9 Ų152.969%0.69481%0.806SS**  trans-80.5161.6-173.4-111.9-97.9000113.9
307H37.8Very low38.6Very low173 Ų173155.8 Ų155.880%0.80181%0.813SS**  trans55.9114.7153.1-106.1-59.1000119.7
308C39.8Very low38.9Very low126 Ų126159.4 Ų159.485%0.85182%0.819SS**  trans-97.1170.1143.8-150.90000109.8
309Q43.3Very low39Very low168 Ų168162.6 Ų162.679%0.78583%0.828SS**  trans-138.9153.3-156-173.3174.7-1.500111.3
310S37.9Very low39.4Very low101 Ų101162.4 Ų162.471%0.70683%0.832SS**  trans53.6129.1163.160.50000120.1
311E48.9Very low39.5Very low197 Ų197166.8 Ų166.892%0.92185%0.845SS**  -137.3148.7126-119.2170.6-168.800109.2
312T47.2Very low39.6Very low208 Ų208166.3 Ų166.3100%1.27685%0.849SS**  trans-97.40-173.948.10000112.3

Retrieved 312 of 312 residues in 399.3 ms (Link to these results)