A0A087YF24_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087YF24, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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
1L39.1Very low40Very low196 Ų196132.5 Ų132.5100%1.02681%0.814SS**  085.40-68.4163.1000110.6
2N40.2Very low40.2Very low141 Ų141130.7 Ų130.775%0.75480%0.795SS**  trans-99.195.5160.7-82.7-2.8000106
3N34.3Very low40.4Very low148 Ų148126.4 Ų126.479%0.79177%0.772SS**  trans-171.770.9161.2-94.7-19.8000107.9
4V37.8Very low41.3Very low101 Ų101125.1 Ų125.161%0.61276%0.757SS**  trans-91.5111.9148.3-178.90000104.1V6V4-V6 PolarHBondContact O-N 3.19Å; V4-V6 VanDerWaalsContact O-N 3.08Å
5P38.8Very low42Very low110 Ų110123.7 Ų123.771%0.71475%0.753SS**  trans-66.1114.7-178.4-1225.7000108.6G7P5-G7 PolarHBondContact O-N 2.74Å
6V45.6Very low43Very low150 Ų150121.5 Ų121.591%0.90975%0.745SS**  trans-76.398.1162.1-1790000106.2V4V4-V6 PolarHBondContact O-N 3.19Å; V4-V6 VanDerWaalsContact O-N 3.08Å
7G48.7Very low44.5Very low66 Ų66119.9 Ų119.968%0.6872%0.722SS**  trans7193.5161.300000117.2P5P5-G7 PolarHBondContact O-N 2.74Å
8M36.4Very low46.7Very low185 Ų185116.1 Ų116.191%0.91171%0.711SS**  trans-143.1117.5137.8-89.8-166.1177.900108.8Q10M8-Q10 PolarHBondContact O-N 3.3Å
9G39Very low49Very low86 Ų86112.8 Ų112.889%0.88769%0.694SS**  trans-64.5103.5170.200000110.2
10Q38.4Very low51.1Low166 Ų166108.9 Ų108.978%0.77667%0.668SS**  trans-116.9106.5145.2-77.3-172-7.100106.2M8 L12M8-Q10 PolarHBondContact O-N 3.3Å; Q10-L12 PolarHBondContact O-N 2.92Å
11A41.4Very low53.2Low108 Ų108107.6 Ų107.689%0.89366%0.66SS**  trans-65.579.1168.400000108.6C13A11-C13 PolarHBondContact O-N 2.71Å
12L42.9Very low55.8Low111 Ų11198.4 Ų98.458%0.58161%0.612SS**  trans-63116.7159.1-80.4158.4000106Q10 I14Q10-L12 PolarHBondContact O-N 2.92Å; L12-I14 PolarHBondContact O-N 3.16Å; L12-I14 VanDerWaalsContact O-N 3.08Å
13C43.1Very low58.3Low75 Ų7596.9 Ų96.951%0.50760%0.604SS.*  trans-43119.2175.7-153.50000108.7A11 C15 S16A11-C13 PolarHBondContact O-N 2.71Å; C13-C15 HydrophobicContact CB-CB 3.91Å; C13-C15 WeakPolarHBondContact CB-SG 3.37Å; C13-C15 PolarHBondContact O-N 3.12Å; C13-C15 WeakPolarHBondContact SG-CB 3.48Å; C13-C15 CovalentContact SG-SG 2.05Å; C13-C15 PolarHBondContact SG-SG 3Å; C13-S16 PolarHBondContact O-N 3.31Å; C13-S16 PolarHBondContact O-OG 3.48Å; C13-S16 VanDerWaalsContact O-OG 3.12Å
14I52Low61.1Low108 Ų10897.6 Ų97.655%0.55461%0.607SS**G310 helixtrans-50.7-22.1173.6-67.5167.4000111.3L12 S16 Y28L12-I14 PolarHBondContact O-N 3.16Å; L12-I14 VanDerWaalsContact O-N 3.08Å; I14-S16 VanDerWaalsContact C-N 3.3Å; I14-S16 PolarHBondContact O-N 3.42Å; I14-Y28 HydrophobicContact CG2-CD1 4.33Å; I14-Y28 HydrophobicContact CG2-CE1 3.6Å; I14-Y28 HydrophobicContact CG2-CE2 4.09Å; I14-Y28 VanDerWaalsContact CG2-CZ 3.46Å; I14-Y28 WeakPolarHBondContact CG2-OH 3.38Å
15C52.6Low63.8Low104 Ų10498.3 Ų98.370%0.70360%0.602SS**G310 helixtrans-58-24.9176.6-20.30000115.6C13C13-C15 HydrophobicContact CB-CB 3.91Å; C13-C15 WeakPolarHBondContact CB-SG 3.37Å; C13-C15 PolarHBondContact O-N 3.12Å; C13-C15 WeakPolarHBondContact SG-CB 3.48Å; C13-C15 CovalentContact SG-SG 2.05Å; C13-C15 PolarHBondContact SG-SG 3Å
16S58Low66.5Low89 Ų8997.5 Ų97.562%0.62259%0.587SS**G310 helixtrans-111-5.4-174.457.90000114.8C13 I14C13-S16 PolarHBondContact O-N 3.31Å; C13-S16 PolarHBondContact O-OG 3.48Å; C13-S16 VanDerWaalsContact O-OG 3.12Å; I14-S16 VanDerWaalsContact C-N 3.3Å; I14-S16 PolarHBondContact O-N 3.42Å
17R68.1Low69Low95 Ų9590.5 Ų90.536%0.35855%0.545SS..SBendtrans-76.3129.9174.9-74.3-176.7164.6176-5.7109.8S19 Y28 E45R17-S19 PolarHBondContact O-N 2.93Å; R17-Y28 HydrophobicContact CB-CD1 4.41Å; R17-E45 IonicContact NH1-OE2 2.72Å
18G83.6Confident71.3Confident51 Ų5189.4 Ų89.453%0.52652%0.52SS..  trans-52.9134.6166.700000109.7F29G18-F29 WeakPolarHBondContact O-CB 3.41Å; G18-F29 PolarHBondContact O-N 3.48Å
19S90.6Very high74.1Confident54 Ų5484.5 Ų84.538%0.37849%0.494SS..EExtended strand (participates in β ladder)trans-131.6146.2-179.2680000110.9R17 K26 Y27R17-S19 PolarHBondContact O-N 2.93Å; S19-K26 WeakPolarHBondContact OG-CE 3.46Å; S19-Y27 VanDerWaalsContact CA-O 3.24Å; S19-Y27 WeakPolarHBondContact CA-O 3.37Å; S19-Y27 WeakPolarHBondContact CB-O 3.47Å
20I92Very high76.9Confident34 Ų3482.4 Ų82.417%0.17446%0.464CS..EExtended strand (participates in β ladder)trans-117.9161.8172.360.5152.1000110.2I22 K26 Y27 L55 W102I20-I22 HydrophobicContact CD1-CD1 3.74Å; I20-I22 HydrophobicContact CD1-CG1 4.04Å; I20-K26 WeakPolarHBondContact O-CA 3.09Å; I20-Y27 PolarHBondContact N-O 3.49Å; I20-Y27 PolarHBondContact O-N 2.9Å; I20-L55 HydrophobicContact CD1-CD1 3.71Å; I20-L55 HydrophobicContact CD1-CD2 3.36Å; I20-L55 HydrophobicContact CD1-CG 4.14Å; I20-L55 HydrophobicContact CG1-CD2 4.33Å; I20-W102 HydrophobicContact CB-CH2 4.31Å; I20-W102 HydrophobicContact CB-CZ3 3.97Å; I20-W102 HydrophobicContact CD1-CE3 4.23Å; I20-W102 HydrophobicContact CD1-CZ3 4.38Å; I20-W102 HydrophobicContact CG2-CH2 4.03Å; I20-W102 HydrophobicContact CG2-CZ3 4.16Å
21T94.1Very high79.6Confident81 Ų8179 Ų7950%0.49745%0.448SS..EExtended strand (participates in β ladder)trans-125.3126.5174-57.20000109.4K25T21-K25 VanDerWaalsContact CA-O 3.29Å; T21-K25 WeakPolarHBondContact CA-O 3.49Å
22I94.6Very high82.1Confident3 Ų378 Ų782%0.01542%0.423CS..EExtended strand (participates in β ladder)trans-129.3129.5173-56.4174.3000106.5I20 N24 K25 Y27 L55 A89 A91 W102 L104I20-I22 HydrophobicContact CD1-CD1 3.74Å; I20-I22 HydrophobicContact CD1-CG1 4.04Å; I22-N24 VanDerWaalsContact C-N 3.3Å; I22-N24 PolarHBondContact O-N 2.8Å; I22-K25 PolarHBondContact N-O 3.3Å; I22-K25 WeakPolarHBondContact O-CB 3.31Å; I22-K25 PolarHBondContact O-N 2.87Å; I22-Y27 HydrophobicContact CB-CE2 4.11Å; I22-L55 HydrophobicContact CD1-CD1 3.75Å; I22-A89 HydrophobicContact CG2-CB 3.57Å; I22-A91 HydrophobicContact CG2-CB 4.28Å; I22-W102 HydrophobicContact CD1-CB 4.31Å; I22-W102 HydrophobicContact CD1-CE3 4.23Å; I22-W102 HydrophobicContact CG1-CE3 4Å; I22-L104 HydrophobicContact CD1-CB 4.17Å
23D92.3Very high84.5Confident110 Ų11075.6 Ų75.659%0.58841%0.411SS*.THydrogen-bonded Turntrans48.546.8-178.2-63.9-20.9000114.1K25D23-K25 PolarHBondContact O-N 3.03Å
24N92.4Very high86.7Confident162 Ų16277 Ų7787%0.86641%0.413SS*.THydrogen-bonded Turntrans58.415.9-177.4-58-41.5000115I22I22-N24 VanDerWaalsContact C-N 3.3Å; I22-N24 PolarHBondContact O-N 2.8Å
25K95.8Very high88.4Confident117 Ų11777.4 Ų77.451%0.50941%0.413SS..EExtended strand (participates in β ladder)trans-107.3134.8172.3-63.7176.8-175.5175.70109.7T21 I22 D23 Y27T21-K25 VanDerWaalsContact CA-O 3.29Å; T21-K25 WeakPolarHBondContact CA-O 3.49Å; I22-K25 PolarHBondContact N-O 3.3Å; I22-K25 WeakPolarHBondContact O-CB 3.31Å; I22-K25 PolarHBondContact O-N 2.87Å; D23-K25 PolarHBondContact O-N 3.03Å; K25-Y27 HydrophobicContact CB-CE2 3.74Å; K25-Y27 WeakPolarHBondContact CD-OH 3.48Å; K25-Y27 WeakPolarHBondContact O-CD2 3.4Å; K25-Y27 VanDerWaalsContact O-CE2 3.27Å; K25-Y27 WeakPolarHBondContact O-CE2 3.24Å
26K96.2Very high89.5Confident92 Ų9274 Ų7440%0.440%0.395SS..EExtended strand (participates in β ladder)trans-92.3135.9-179.4-171.1173.2-173.7173.80110.4S19 I20 Y28 A47S19-K26 WeakPolarHBondContact OG-CE 3.46Å; I20-K26 WeakPolarHBondContact O-CA 3.09Å; K26-Y28 HydrophobicContact CD-CE1 4.21Å; K26-A47 HydrophobicContact CB-CB 3.93Å; K26-A47 HydrophobicContact CG-CB 4.36Å; K26-A47 WeakPolarHBondContact O-CB 3.31Å; K26-A47 PolarHBondContact O-N 3.39Å
27Y97.1Very high90.3Very high3 Ų373.1 Ų73.11%0.01240%0.4CS..EExtended strand (participates in β ladder)trans-126.7135.3175.5-54.2-92.3000109.8S19 I20 I22 K25 V44 E45 Y53 L104S19-Y27 VanDerWaalsContact CA-O 3.24Å; S19-Y27 WeakPolarHBondContact CA-O 3.37Å; S19-Y27 WeakPolarHBondContact CB-O 3.47Å; I20-Y27 PolarHBondContact N-O 3.49Å; I20-Y27 PolarHBondContact O-N 2.9Å; I22-Y27 HydrophobicContact CB-CE2 4.11Å; K25-Y27 HydrophobicContact CB-CE2 3.74Å; K25-Y27 WeakPolarHBondContact CD-OH 3.48Å; K25-Y27 WeakPolarHBondContact O-CD2 3.4Å; K25-Y27 VanDerWaalsContact O-CE2 3.27Å; K25-Y27 WeakPolarHBondContact O-CE2 3.24Å; Y27-V44 HydrophobicContact CD1-CG2 4.29Å; Y27-V44 HydrophobicContact CG-CG2 4.38Å; Y27-E45 CarbonylContact C-O 3.46Å; Y27-E45 VanDerWaalsContact CA-O 3.31Å; Y27-E45 WeakPolarHBondContact CA-O 3.21Å; Y27-Y53 HydrophobicContact CD1-CD2 4.03Å; Y27-Y53 HydrophobicContact CD1-CE2 4.37Å; Y27-Y53 AromaticContact CE1-CD2 3.93Å; Y27-Y53 HydrophobicContact CE1-CD2 3.93Å; Y27-Y53 AromaticContact CE1-CE2 3.93Å; Y27-Y53 HydrophobicContact CE1-CE2 3.93Å; Y27-L104 HydrophobicContact CD1-CD1 4.41Å; Y27-L104 HydrophobicContact CD1-CD2 4.27Å; Y27-L104 HydrophobicContact CE1-CD1 4.43Å; Y27-L104 HydrophobicContact CE1-CD2 3.52Å; Y27-L104 HydrophobicContact CE2-CD2 3.9Å; Y27-L104 VanDerWaalsContact OH-CD2 3.27Å; Y27-L104 WeakPolarHBondContact OH-CD2 3.23Å
28Y96.8Very high91Very high43 Ų4375.5 Ų75.517%0.16941%0.413CS..EExtended strand (participates in β ladder)trans-97.6132.3179.2-63.3-71.1000110.3I14 R17 K26 V44 E45 A47I14-Y28 HydrophobicContact CG2-CD1 4.33Å; I14-Y28 HydrophobicContact CG2-CE1 3.6Å; I14-Y28 HydrophobicContact CG2-CE2 4.09Å; I14-Y28 VanDerWaalsContact CG2-CZ 3.46Å; I14-Y28 WeakPolarHBondContact CG2-OH 3.38Å; R17-Y28 HydrophobicContact CB-CD1 4.41Å; K26-Y28 HydrophobicContact CD-CE1 4.21Å; Y28-V44 CarbonylContact O-C 3.33Å; Y28-V44 VanDerWaalsContact O-CA 3.22Å; Y28-V44 WeakPolarHBondContact O-CA 3.41Å; Y28-E45 PolarHBondContact N-O 2.92Å; Y28-E45 PolarHBondContact O-N 3.44Å; Y28-A47 HydrophobicContact CD2-CB 3.94Å; Y28-A47 HydrophobicContact CE2-CB 3.3Å
29F96.3Very high91.2Very high83 Ų8374.5 Ų74.536%0.36440%0.398SS..EExtended strand (participates in β ladder)trans-62.3136.5172.1175.5-95.5000111G18 Q31 D42G18-F29 WeakPolarHBondContact O-CB 3.41Å; G18-F29 PolarHBondContact O-N 3.48Å; F29-Q31 VanDerWaalsContact CZ-C 3.44Å; F29-Q31 VanDerWaalsContact CZ-CA 3.49Å; F29-D42 HydrophobicContact CD2-CB 4.04Å; F29-D42 HydrophobicContact CE2-CB 3.96Å
30V95.9Very high91.3Very high41 Ų4174.6 Ų74.625%0.24839%0.391CS..EExtended strand (participates in β ladder)trans-112.7-61177.1-176.90000110.2L43 E45 F52V30-L43 HydrophobicContact CB-CB 4.24Å; V30-L43 HydrophobicContact CB-CD2 4.12Å; V30-L43 HydrophobicContact CB-CG 4.07Å; V30-L43 WeakPolarHBondContact CB-O 3.3Å; V30-L43 HydrophobicContact CG1-CD2 3.88Å; V30-L43 HydrophobicContact CG1-CG 4.38Å; V30-L43 HydrophobicContact CG2-CG 4.47Å; V30-L43 PolarHBondContact N-O 2.59Å; V30-E45 HydrophobicContact CG2-CB 3.85Å; V30-F52 HydrophobicContact CG1-CE1 4.44Å; V30-F52 HydrophobicContact CG2-CD1 4.28Å; V30-F52 HydrophobicContact CG2-CE1 3.97Å
31Q94.9Very high91.5Very high94 Ų9474.3 Ų74.344%0.43939%0.39SS..EExtended strand (participates in β ladder)trans-160.2163.2179.464.8179.948.900111.1F29 L43F29-Q31 VanDerWaalsContact CZ-C 3.44Å; F29-Q31 VanDerWaalsContact CZ-CA 3.49Å; Q31-L43 HydrophobicContact CG-CB 3.82Å; Q31-L43 HydrophobicContact CG-CD2 3.93Å; Q31-L43 PolarHBondContact N-O 3.17Å; Q31-L43 PolarHBondContact O-N 3.01Å
32K95.1Very high91.6Very high88 Ų8870.9 Ų70.938%0.38337%0.369SS..EExtended strand (participates in β ladder)trans-75.4136.2169-162.3176.1-160.81770109.9E35K32-E35 IonicContact NZ-OE1 3.63Å; K32-E35 PolarHBondContact NZ-OE1 3.13Å; K32-E35 IonicContact NZ-OE2 2.7Å; K32-E35 PolarHBondContact NZ-OE2 3.4Å
33L92.2Very high91.7Very high61 Ų6171.3 Ų71.332%0.31937%0.371SS..EExtended strand (participates in β ladder)trans-100.8-42.9174.2-66.7176.5000111.7V41 L43 A54 F107L33-V41 WeakPolarHBondContact CA-O 3.46Å; L33-V41 HydrophobicContact CB-CB 4.3Å; L33-V41 HydrophobicContact CB-CG1 4.14Å; L33-V41 WeakPolarHBondContact CB-O 3.4Å; L33-V41 HydrophobicContact CD1-CG1 4.13Å; L33-V41 PolarHBondContact N-O 2.97Å; L33-L43 HydrophobicContact CD1-CB 3.97Å; L33-L43 HydrophobicContact CD1-CD1 4.3Å; L33-L43 HydrophobicContact CD2-CB 4.01Å; L33-L43 HydrophobicContact CG-CB 3.85Å; L33-A54 HydrophobicContact CD1-CB 4.19Å; L33-F107 HydrophobicContact CD1-CD2 4.05Å; L33-F107 HydrophobicContact CD1-CE2 4.04Å; L33-F107 HydrophobicContact CD2-CE2 4.2Å
34D90.2Very high92Very high104 Ų10466.2 Ų66.256%0.55634%0.344SS*.EExtended strand (participates in β ladder)trans-152.9157.6-177.1-159.38000112.7V41D34-V41 HydrophobicContact CB-CB 4.01Å; D34-V41 HydrophobicContact CB-CG2 4.15Å; D34-V41 PolarHBondContact N-O 2.63Å; D34-V41 PolarHBondContact O-N 3.44Å
35E87.5Confident92.3Very high117 Ų11761.2 Ų61.255%0.54732%0.316SS..EExtended strand (participates in β ladder)trans-139.2107.8176-175.9161.3-137.800110.4K32 Y40K32-E35 IonicContact NZ-OE1 3.63Å; K32-E35 PolarHBondContact NZ-OE1 3.13Å; K32-E35 IonicContact NZ-OE2 2.7Å; K32-E35 PolarHBondContact NZ-OE2 3.4Å; E35-Y40 HydrophobicContact CG-CD1 3.95Å; E35-Y40 HydrophobicContact CG-CE1 3.91Å; E35-Y40 WeakPolarHBondContact OE1-CE1 3.36Å
36G76.3Confident92.3Very high32 Ų3255.8 Ų55.833%0.3329%0.293SS..  trans-98.7174.1167.900000111.9F38 S39G36-F38 PolarHBondContact O-N 2.96Å; G36-S39 WeakPolarHBondContact CA-O 3.13Å; G36-S39 PolarHBondContact N-O 2.98Å
37G75.1Confident92.3Very high70 Ų7053.8 Ų53.872%0.72229%0.294SS*.SBendtrans-59.9-30.5-179.800000114.6
38F81.2Confident92.3Very high146 Ų14663.5 Ų63.564%0.6434%0.336SS*.SBendtrans-131.15.5-175.8-55.4-74000113.9G36 L59G36-F38 PolarHBondContact O-N 2.96Å; F38-L59 PolarHBondContact O-N 3.29Å
39S89.3Confident92.2Very high29 Ų2964.8 Ų64.820%0.20335%0.346CS..EExtended strand (participates in β ladder)trans-149.4153.6178.171.30000112.5G36 R57G36-S39 WeakPolarHBondContact CA-O 3.13Å; G36-S39 PolarHBondContact N-O 2.98Å; S39-R57 CarbonylContact C-O 3.58Å; S39-R57 WeakPolarHBondContact CA-O 3.5Å; S39-R57 WeakPolarHBondContact CB-O 3.27Å
40Y92.4Very high92.2Very high56 Ų5662.5 Ų62.522%0.2235%0.346CS..EExtended strand (participates in β ladder)trans-122.6146.9176.6-49.6-80.1000109.1E35 K56 R57 L59E35-Y40 HydrophobicContact CG-CD1 3.95Å; E35-Y40 HydrophobicContact CG-CE1 3.91Å; E35-Y40 WeakPolarHBondContact OE1-CE1 3.36Å; Y40-K56 CarbonylContact O-C 3.53Å; Y40-K56 WeakPolarHBondContact O-CA 3.41Å; Y40-R57 PolarHBondContact N-O 2.94Å; Y40-R57 PolarHBondContact O-N 3.36Å; Y40-L59 HydrophobicContact CE2-CD1 3.79Å; Y40-L59 HydrophobicContact CE2-CD2 4.08Å; Y40-L59 HydrophobicContact CE2-CG 3.86Å
41V95.4Very high92.3Very high28 Ų2866 Ų6617%0.1736%0.359CS..EExtended strand (participates in β ladder)trans-121.4121.1171.1-170.40000108.5L33 D34 A54 L55 K56L33-V41 WeakPolarHBondContact CA-O 3.46Å; L33-V41 HydrophobicContact CB-CB 4.3Å; L33-V41 HydrophobicContact CB-CG1 4.14Å; L33-V41 WeakPolarHBondContact CB-O 3.4Å; L33-V41 HydrophobicContact CD1-CG1 4.13Å; L33-V41 PolarHBondContact N-O 2.97Å; D34-V41 HydrophobicContact CB-CB 4.01Å; D34-V41 HydrophobicContact CB-CG2 4.15Å; D34-V41 PolarHBondContact N-O 2.63Å; D34-V41 PolarHBondContact O-N 3.44Å; V41-A54 HydrophobicContact CG1-CB 4.05Å; V41-L55 WeakPolarHBondContact CA-O 3.22Å; V41-K56 HydrophobicContact CG2-CB 4.39Å; V41-K56 HydrophobicContact CG2-CG 4.33Å
42D96.6Very high92.4Very high9 Ų965 Ų655%0.04835%0.353CS..EExtended strand (participates in β ladder)trans-112.1142.8177.7-61.5-48.7000110.5F29 V44 A54 L55 R57F29-D42 HydrophobicContact CD2-CB 4.04Å; F29-D42 HydrophobicContact CE2-CB 3.96Å; D42-V44 HydrophobicContact CB-CG1 4.37Å; D42-A54 CarbonylContact O-C 3.49Å; D42-A54 WeakPolarHBondContact O-CA 3.41Å; D42-L55 PolarHBondContact N-O 3.18Å; D42-L55 PolarHBondContact O-N 3.43Å; D42-R57 IonicContact OD1-NH2 2.75Å; D42-R57 IonicContact OD2-CZ 3.66Å; D42-R57 IonicContact OD2-NE 3.25Å; D42-R57 PolarHBondContact OD2-NE 3.39Å; D42-R57 IonicContact OD2-NH2 3.47Å; D42-R57 PolarHBondContact OD2-NH2 2.73Å
43L97.3Very high92.6Very high13 Ų1362.3 Ų62.37%0.06834%0.341CS..EExtended strand (participates in β ladder)trans-79.4125.1164.6-174.266.2000108.1V30 Q31 L33 F52 Y53 F107V30-L43 HydrophobicContact CB-CB 4.24Å; V30-L43 HydrophobicContact CB-CD2 4.12Å; V30-L43 HydrophobicContact CB-CG 4.07Å; V30-L43 WeakPolarHBondContact CB-O 3.3Å; V30-L43 HydrophobicContact CG1-CD2 3.88Å; V30-L43 HydrophobicContact CG1-CG 4.38Å; V30-L43 HydrophobicContact CG2-CG 4.47Å; V30-L43 PolarHBondContact N-O 2.59Å; Q31-L43 HydrophobicContact CG-CB 3.82Å; Q31-L43 HydrophobicContact CG-CD2 3.93Å; Q31-L43 PolarHBondContact N-O 3.17Å; Q31-L43 PolarHBondContact O-N 3.01Å; L33-L43 HydrophobicContact CD1-CB 3.97Å; L33-L43 HydrophobicContact CD1-CD1 4.3Å; L33-L43 HydrophobicContact CD2-CB 4.01Å; L33-L43 HydrophobicContact CG-CB 3.85Å; L43-F52 HydrophobicContact CD1-CB 3.99Å; L43-F52 HydrophobicContact CD1-CD1 4.17Å; L43-F52 HydrophobicContact CD1-CG 4.42Å; L43-F52 HydrophobicContact CD2-CD1 4.18Å; L43-F52 HydrophobicContact CG-CD1 4.1Å; L43-Y53 WeakPolarHBondContact CA-O 3.15Å; L43-F107 HydrophobicContact CD1-CB 4.13Å; L43-F107 HydrophobicContact CD1-CD1 3.88Å; L43-F107 HydrophobicContact CD1-CD2 3.6Å; L43-F107 HydrophobicContact CD1-CE1 4.17Å; L43-F107 HydrophobicContact CD1-CE2 3.91Å; L43-F107 HydrophobicContact CD1-CG 3.58Å; L43-F107 HydrophobicContact CD1-CZ 4.19Å
44V97.9Very high92.8Very high3 Ų360 Ų602%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-126.7151.7176.8-55.80000111Y27 Y28 D42 F52 Y53 L55 L104Y27-V44 HydrophobicContact CD1-CG2 4.29Å; Y27-V44 HydrophobicContact CG-CG2 4.38Å; Y28-V44 CarbonylContact O-C 3.33Å; Y28-V44 VanDerWaalsContact O-CA 3.22Å; Y28-V44 WeakPolarHBondContact O-CA 3.41Å; D42-V44 HydrophobicContact CB-CG1 4.37Å; V44-F52 CarbonylContact O-C 3.52Å; V44-F52 WeakPolarHBondContact O-CA 3.1Å; V44-Y53 PolarHBondContact N-O 3.07Å; V44-Y53 PolarHBondContact O-N 3.32Å; V44-L55 HydrophobicContact CG1-CB 3.94Å; V44-L55 HydrophobicContact CG1-CD2 4.16Å; V44-L55 HydrophobicContact CG2-CB 4.19Å; V44-L104 HydrophobicContact CG2-CD1 3.79Å
45E97.9Very high93.2Very high57 Ų5755.2 Ų55.227%0.26631%0.305SS..EExtended strand (participates in β ladder)trans-112.3127.7178.5-175.5-177.3178.300109.8R17 Y27 Y28 V30 A47 Q51 F52R17-E45 IonicContact NH1-OE2 2.72Å; Y27-E45 CarbonylContact C-O 3.46Å; Y27-E45 VanDerWaalsContact CA-O 3.31Å; Y27-E45 WeakPolarHBondContact CA-O 3.21Å; Y28-E45 PolarHBondContact N-O 2.92Å; Y28-E45 PolarHBondContact O-N 3.44Å; V30-E45 HydrophobicContact CG2-CB 3.85Å; E45-A47 PolarHBondContact O-N 3.22Å; E45-Q51 CarbonylContact C-O 3.57Å; E45-Q51 WeakPolarHBondContact CA-O 3.46Å; E45-F52 HydrophobicContact CB-CD1 4.23Å; E45-F52 HydrophobicContact CB-CE1 4.11Å; E45-F52 HydrophobicContact CG-CE1 4.25Å
46G97.8Very high93.6Very high3 Ų350.8 Ų50.83%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-68.2122.1176.800000111.5K48 D49 G50 Q51G46-K48 PolarHBondContact O-N 3.48Å; G46-K48 VanDerWaalsContact O-N 3.11Å; G46-D49 WeakPolarHBondContact CA-OD1 3.31Å; G46-G50 WeakPolarHBondContact O-CA 3.43Å; G46-G50 PolarHBondContact O-N 3.03Å; G46-Q51 PolarHBondContact N-O 3.45Å
47A96.2Very high94.5Very high50 Ų5052 Ų5241%0.41328%0.279SS..THydrogen-bonded Turntrans-61.9-24.5-175.400000113.9K26 Y28 E45K26-A47 HydrophobicContact CB-CB 3.93Å; K26-A47 HydrophobicContact CG-CB 4.36Å; K26-A47 WeakPolarHBondContact O-CB 3.31Å; K26-A47 PolarHBondContact O-N 3.39Å; Y28-A47 HydrophobicContact CD2-CB 3.94Å; Y28-A47 HydrophobicContact CE2-CB 3.3Å; E45-A47 PolarHBondContact O-N 3.22Å
48K95.1Very high95.4Very high206 Ų20649.7 Ų49.790%0.89625%0.25SC*.THydrogen-bonded Turntrans-98.2-37.5-174.9-173.5178.5178.2-178.20113.2G46G46-K48 PolarHBondContact O-N 3.48Å; G46-K48 VanDerWaalsContact O-N 3.11Å
49D96.4Very high95.9Very high71 Ų7143.9 Ų43.938%0.3823%0.225SC..THydrogen-bonded Turntrans-108.7-9.6-172.654.122.4000113.8G46 Q51 Y53G46-D49 WeakPolarHBondContact CA-OD1 3.31Å; D49-Q51 HydrophobicContact CB-CG 4.04Å; D49-Q51 PolarHBondContact O-N 2.85Å; D49-Q51 VanDerWaalsContact O-N 3.17Å; D49-Q51 PolarHBondContact OD1-N 3.32Å; D49-Y53 PolarHBondContact OD2-OH 3.47Å; D49-Y53 VanDerWaalsContact OD2-OH 3.05Å
50G96.1Very high96.1Very high35 Ų3543 Ų4336%0.36122%0.219SC..  trans64.212.3-176.900000113.6G46G46-G50 WeakPolarHBondContact O-CA 3.43Å; G46-G50 PolarHBondContact O-N 3.03Å
51Q97.1Very high96Very high113 Ų11346.6 Ų46.653%0.52824%0.237SC..  trans-82.6147.3-177.9-63.3-57.3-44.600110.7E45 G46 D49 Y53E45-Q51 CarbonylContact C-O 3.57Å; E45-Q51 WeakPolarHBondContact CA-O 3.46Å; G46-Q51 PolarHBondContact N-O 3.45Å; D49-Q51 HydrophobicContact CB-CG 4.04Å; D49-Q51 PolarHBondContact O-N 2.85Å; D49-Q51 VanDerWaalsContact O-N 3.17Å; D49-Q51 PolarHBondContact OD1-N 3.32Å; Q51-Y53 HydrophobicContact CB-CE2 3.68Å; Q51-Y53 VanDerWaalsContact O-CD2 3.31Å; Q51-Y53 WeakPolarHBondContact O-CD2 3.49Å; Q51-Y53 WeakPolarHBondContact O-CE2 3.1Å
52F97.6Very high95.7Very high73 Ų7349.7 Ų49.732%0.3225%0.253SS..EExtended strand (participates in β ladder)trans-89.9140175.3-68.3-74.6000111.2V30 L43 V44 E45 F107V30-F52 HydrophobicContact CG1-CE1 4.44Å; V30-F52 HydrophobicContact CG2-CD1 4.28Å; V30-F52 HydrophobicContact CG2-CE1 3.97Å; L43-F52 HydrophobicContact CD1-CB 3.99Å; L43-F52 HydrophobicContact CD1-CD1 4.17Å; L43-F52 HydrophobicContact CD1-CG 4.42Å; L43-F52 HydrophobicContact CD2-CD1 4.18Å; L43-F52 HydrophobicContact CG-CD1 4.1Å; V44-F52 CarbonylContact O-C 3.52Å; V44-F52 WeakPolarHBondContact O-CA 3.1Å; E45-F52 HydrophobicContact CB-CD1 4.23Å; E45-F52 HydrophobicContact CB-CE1 4.11Å; E45-F52 HydrophobicContact CG-CE1 4.25Å; F52-F107 HydrophobicContact CB-CB 4.13Å; F52-F107 HydrophobicContact CB-CD1 3.94Å; F52-F107 HydrophobicContact CB-CG 4.34Å; F52-F107 WeakPolarHBondContact O-CB 3.3Å
53Y98.3Very high95.4Very high32 Ų3260 Ų6013%0.12529%0.291CS..EExtended strand (participates in β ladder)trans-134153.3179.4-59.7-85.9000110.4Y27 L43 V44 D49 Q51 V88 L104 L105Y27-Y53 HydrophobicContact CD1-CD2 4.03Å; Y27-Y53 HydrophobicContact CD1-CE2 4.37Å; Y27-Y53 AromaticContact CE1-CD2 3.93Å; Y27-Y53 HydrophobicContact CE1-CD2 3.93Å; Y27-Y53 AromaticContact CE1-CE2 3.93Å; Y27-Y53 HydrophobicContact CE1-CE2 3.93Å; L43-Y53 WeakPolarHBondContact CA-O 3.15Å; V44-Y53 PolarHBondContact N-O 3.07Å; V44-Y53 PolarHBondContact O-N 3.32Å; D49-Y53 PolarHBondContact OD2-OH 3.47Å; D49-Y53 VanDerWaalsContact OD2-OH 3.05Å; Q51-Y53 HydrophobicContact CB-CE2 3.68Å; Q51-Y53 VanDerWaalsContact O-CD2 3.31Å; Q51-Y53 WeakPolarHBondContact O-CD2 3.49Å; Q51-Y53 WeakPolarHBondContact O-CE2 3.1Å; Y53-V88 HydrophobicContact CD1-CG1 4.49Å; Y53-V88 HydrophobicContact CD1-CG2 4.06Å; Y53-V88 HydrophobicContact CE1-CG1 4.06Å; Y53-V88 HydrophobicContact CE1-CG2 4.03Å; Y53-L104 HydrophobicContact CD1-CD2 4.4Å; Y53-L104 HydrophobicContact CD1-CG 4.26Å; Y53-L104 HydrophobicContact CG-CD1 4.09Å; Y53-L104 HydrophobicContact CG-CD2 4.42Å; Y53-L104 HydrophobicContact CG-CG 4.23Å; Y53-L105 CarbonylContact C-O 3.58Å; Y53-L105 WeakPolarHBondContact CA-O 3.4Å; Y53-L105 WeakPolarHBondContact CB-O 3.39Å
54A98Very high95.1Very high13 Ų1365.5 Ų65.511%0.10732%0.317CS..EExtended strand (participates in β ladder)trans-95.2120.3166.500000108.7L33 V41 D42 L105L33-A54 HydrophobicContact CD1-CB 4.19Å; V41-A54 HydrophobicContact CG1-CB 4.05Å; D42-A54 CarbonylContact O-C 3.49Å; D42-A54 WeakPolarHBondContact O-CA 3.41Å; A54-L105 HydrophobicContact CB-CB 4.37Å; A54-L105 PolarHBondContact N-O 3.49Å; A54-L105 WeakPolarHBondContact O-CB 3.31Å; A54-L105 PolarHBondContact O-N 3.37Å
55L97.4Very high94.8Very high4 Ų466.3 Ų66.32%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-99.6106.1174.7176.474.1000108.9I20 I22 V41 D42 V44 R57 W102 L104I20-L55 HydrophobicContact CD1-CD1 3.71Å; I20-L55 HydrophobicContact CD1-CD2 3.36Å; I20-L55 HydrophobicContact CD1-CG 4.14Å; I20-L55 HydrophobicContact CG1-CD2 4.33Å; I22-L55 HydrophobicContact CD1-CD1 3.75Å; V41-L55 WeakPolarHBondContact CA-O 3.22Å; D42-L55 PolarHBondContact N-O 3.18Å; D42-L55 PolarHBondContact O-N 3.43Å; V44-L55 HydrophobicContact CG1-CB 3.94Å; V44-L55 HydrophobicContact CG1-CD2 4.16Å; V44-L55 HydrophobicContact CG2-CB 4.19Å; L55-R57 HydrophobicContact CD2-CG 3.89Å; L55-R57 HydrophobicContact CG-CG 3.92Å; L55-W102 HydrophobicContact CD1-CB 4.15Å; L55-L104 HydrophobicContact CB-CD1 4.46Å; L55-L104 HydrophobicContact CD1-CD1 4.29Å
56K96.3Very high94.6Very high23 Ų2367.8 Ų67.810%0.133%0.327CS..EExtended strand (participates in β ladder)trans-85123.9170.1-175.9175.4-179.2-177.70109Y40 V41 I58 E72 W102 L103 L105 D173Y40-K56 CarbonylContact O-C 3.53Å; Y40-K56 WeakPolarHBondContact O-CA 3.41Å; V41-K56 HydrophobicContact CG2-CB 4.39Å; V41-K56 HydrophobicContact CG2-CG 4.33Å; K56-I58 HydrophobicContact CG-CG1 4.21Å; K56-E72 VanDerWaalsContact NZ-CD 3.31Å; K56-E72 IonicContact NZ-OE1 3.82Å; K56-E72 PolarHBondContact NZ-OE1 3.28Å; K56-E72 IonicContact NZ-OE2 2.7Å; K56-E72 PolarHBondContact NZ-OE2 2.93Å; K56-E72 VanDerWaalsContact NZ-OE2 3.15Å; K56-W102 CarbonylContact O-C 3.5Å; K56-W102 WeakPolarHBondContact O-CA 3.34Å; K56-L103 HydrophobicContact CB-CB 4.31Å; K56-L103 PolarHBondContact N-O 3.12Å; K56-L103 PolarHBondContact O-N 3.12Å; K56-L105 HydrophobicContact CB-CD1 4.33Å; K56-D173 IonicContact NZ-OD1 2.76Å; K56-D173 PolarHBondContact NZ-OD1 2.86Å
57R94.6Very high94.3Very high59 Ų5972.7 Ų72.722%0.22335%0.349CS..EExtended strand (participates in β ladder)trans-114.9115.5176.7-60-173.2-74134-1.3108.9S39 Y40 D42 L55 E100 A101 W102S39-R57 CarbonylContact C-O 3.58Å; S39-R57 WeakPolarHBondContact CA-O 3.5Å; S39-R57 WeakPolarHBondContact CB-O 3.27Å; Y40-R57 PolarHBondContact N-O 2.94Å; Y40-R57 PolarHBondContact O-N 3.36Å; D42-R57 IonicContact OD1-NH2 2.75Å; D42-R57 IonicContact OD2-CZ 3.66Å; D42-R57 IonicContact OD2-NE 3.25Å; D42-R57 PolarHBondContact OD2-NE 3.39Å; D42-R57 IonicContact OD2-NH2 3.47Å; D42-R57 PolarHBondContact OD2-NH2 2.73Å; L55-R57 HydrophobicContact CD2-CG 3.89Å; L55-R57 HydrophobicContact CG-CG 3.92Å; R57-E100 IonicContact NH1-OE2 3.3Å; R57-A101 CarbonylContact C-O 3.56Å; R57-A101 WeakPolarHBondContact CA-O 3.44Å; R57-W102 HydrophobicContact CG-CG 4.37Å
58I94.2Very high94.1Very high20 Ų2073.5 Ų73.510%0.10334%0.344CS..EExtended strand (participates in β ladder)trans-103.6125.6-178.9-54.6171.1000108.1K56 C60 A69 E72 E100 A101 L103K56-I58 HydrophobicContact CG-CG1 4.21Å; I58-C60 PolarHBondContact O-N 2.83Å; I58-A69 HydrophobicContact CB-CB 4.41Å; I58-A69 HydrophobicContact CD1-CB 4.01Å; I58-A69 HydrophobicContact CG2-CB 4.22Å; I58-E72 WeakPolarHBondContact CD1-OE2 3.44Å; I58-E100 CarbonylContact O-C 3.58Å; I58-E100 VanDerWaalsContact O-CA 3.26Å; I58-E100 WeakPolarHBondContact O-CA 3.49Å; I58-A101 HydrophobicContact CB-CB 4.31Å; I58-A101 PolarHBondContact N-O 2.87Å; I58-A101 PolarHBondContact O-N 3.03Å; I58-L103 HydrophobicContact CD1-CD1 4.04Å
59L92.8Very high94.1Very high25 Ų2563.8 Ų63.813%0.13130%0.302CS..EExtended strand (participates in β ladder)trans-78.7119.7175.4-61.7-177.6000109.8F38 Y40 E100F38-L59 PolarHBondContact O-N 3.29Å; Y40-L59 HydrophobicContact CE2-CD1 3.79Å; Y40-L59 HydrophobicContact CE2-CD2 4.08Å; Y40-L59 HydrophobicContact CE2-CG 3.86Å; L59-E100 HydrophobicContact CD2-CG 3.85Å; L59-E100 WeakPolarHBondContact CD2-OE1 3.27Å
60C93Very high94.1Very high10 Ų1062.6 Ų62.67%0.06829%0.294CS..EExtended strand (participates in β ladder)trans-101.393.4177.8-56.30000109.5I58 A65 R66 T99I58-C60 PolarHBondContact O-N 2.83Å; C60-A65 HydrophobicContact CB-CB 4.45Å; C60-R66 HydrophobicContact CB-CB 4.04Å; C60-T99 HydrophobicContact CB-CG2 3.76Å; C60-T99 WeakPolarHBondContact CB-O 3.2Å; C60-T99 PolarHBondContact N-O 3.28Å
61H89.9Confident94Very high131 Ų13163.2 Ų63.261%0.60629%0.291SS*.  trans-77.4-22.1-178.4-62.2-60.9000113.9
62D90.1Very high93.9Very high94 Ų9458.4 Ų58.450%0.50327%0.269SS..SBendtrans-147.2-178.1178.462.930.9000111.1Q64 A65 R66D62-Q64 VanDerWaalsContact C-N 3.27Å; D62-Q64 PolarHBondContact O-N 3.31Å; D62-Q64 WeakPolarHBondContact OD1-CA 3.49Å; D62-Q64 WeakPolarHBondContact OD1-CB 3.42Å; D62-Q64 PolarHBondContact OD1-N 2.98Å; D62-A65 PolarHBondContact OD1-N 3.47Å; D62-R66 PolarHBondContact O-N 2.86Å
63R90.4Very high93.8Very high224 Ų22455 Ų5585%0.84525%0.254SS*.Hα-helixtrans-64.4-31.7178.3-174.3177.9177.6-175.4-0.3112.4Q67R63-Q67 PolarHBondContact O-N 3.5Å
64Q91.1Very high93.8Very high129 Ų12957.2 Ų57.260%0.60327%0.266SS*.Hα-helixtrans-70.8-49.3-179.2-179.4178.8-23.700110.4D62 R66 Q67 E68D62-Q64 VanDerWaalsContact C-N 3.27Å; D62-Q64 PolarHBondContact O-N 3.31Å; D62-Q64 WeakPolarHBondContact OD1-CA 3.49Å; D62-Q64 WeakPolarHBondContact OD1-CB 3.42Å; D62-Q64 PolarHBondContact OD1-N 2.98Å; Q64-R66 PolarHBondContact O-N 3.36Å; Q64-Q67 CarbonylContact O-C 3.59Å; Q64-Q67 WeakPolarHBondContact O-CA 3.4Å; Q64-Q67 WeakPolarHBondContact O-CB 3.33Å; Q64-Q67 PolarHBondContact O-N 3.05Å; Q64-E68 PolarHBondContact NE2-OE1 3.28Å; Q64-E68 WeakPolarHBondContact O-CG 3.26Å; Q64-E68 PolarHBondContact O-N 3.13Å
65A90.9Very high93.7Very high20 Ų2057 Ų5717%0.16526%0.263CS..Hα-helixtrans-58.5-37.3175.600000111.9C60 D62 E68 A69C60-A65 HydrophobicContact CB-CB 4.45Å; D62-A65 PolarHBondContact OD1-N 3.47Å; A65-E68 PolarHBondContact O-N 3.21Å; A65-A69 PolarHBondContact O-N 3.04Å
66R92.6Very high93.7Very high88 Ų8857.1 Ų57.133%0.33226%0.263SS..Hα-helixtrans-64-42.1172.6-170.9176.5179.7123.11.4112.3C60 D62 Q64 E68 A69 Q70 F92 D94C60-R66 HydrophobicContact CB-CB 4.04Å; D62-R66 PolarHBondContact O-N 2.86Å; Q64-R66 PolarHBondContact O-N 3.36Å; R66-E68 VanDerWaalsContact C-N 3.34Å; R66-A69 PolarHBondContact O-N 2.76Å; R66-Q70 WeakPolarHBondContact O-CB 3.46Å; R66-Q70 PolarHBondContact O-N 2.72Å; R66-F92 HydrophobicContact CG-CD1 4.26Å; R66-F92 HydrophobicContact CG-CE1 3.97Å; R66-D94 IonicContact NH1-OD1 2.84Å; R66-D94 PolarHBondContact NH1-OD1 3.07Å; R66-D94 IonicContact NH1-OD2 3.89Å; R66-D94 PolarHBondContact NH1-OD2 2.88Å
67Q93.1Very high93.7Very high107 Ų10761.1 Ų61.150%0.528%0.282SS..Hα-helixtrans-67.4-35.4177.4-17460.953.500112.2R63 Q64 Q70 T71R63-Q67 PolarHBondContact O-N 3.5Å; Q64-Q67 CarbonylContact O-C 3.59Å; Q64-Q67 WeakPolarHBondContact O-CA 3.4Å; Q64-Q67 WeakPolarHBondContact O-CB 3.33Å; Q64-Q67 PolarHBondContact O-N 3.05Å; Q67-Q70 PolarHBondContact O-N 2.75Å; Q67-T71 WeakPolarHBondContact O-CB 3.49Å; Q67-T71 PolarHBondContact O-N 3.22Å; Q67-T71 PolarHBondContact O-OG1 3.14Å
68E92.3Very high93.8Very high66 Ų6660.9 Ų60.931%0.30828%0.284SS..Hα-helixtrans-65.8-45.3174.9-69.8175-174.300111Q64 A65 R66 Q70 T71 E72 R200Q64-E68 PolarHBondContact NE2-OE1 3.28Å; Q64-E68 WeakPolarHBondContact O-CG 3.26Å; Q64-E68 PolarHBondContact O-N 3.13Å; A65-E68 PolarHBondContact O-N 3.21Å; R66-E68 VanDerWaalsContact C-N 3.34Å; E68-Q70 VanDerWaalsContact C-N 3.33Å; E68-Q70 PolarHBondContact O-N 2.7Å; E68-T71 WeakPolarHBondContact O-CB 3.21Å; E68-T71 PolarHBondContact O-N 2.83Å; E68-E72 PolarHBondContact O-N 3.1Å; E68-R200 IonicContact OE1-NH2 2.72Å; E68-R200 PolarHBondContact OE1-NH2 2.98Å; E68-R200 IonicContact OE2-CZ 3.06Å; E68-R200 IonicContact OE2-NH1 3.46Å; E68-R200 IonicContact OE2-NH2 3.99Å; E68-R200 PolarHBondContact OE2-NH2 3.03Å
69A94.4Very high93.9Very high2 Ų260.5 Ų60.52%0.01728%0.281CS..Hα-helixtrans-62.8-38.9174.300000112.6I58 A65 R66 E72 V73 F92 A101I58-A69 HydrophobicContact CB-CB 4.41Å; I58-A69 HydrophobicContact CD1-CB 4.01Å; I58-A69 HydrophobicContact CG2-CB 4.22Å; A65-A69 PolarHBondContact O-N 3.04Å; R66-A69 PolarHBondContact O-N 2.76Å; A69-E72 PolarHBondContact O-N 3.17Å; A69-V73 WeakPolarHBondContact O-CG2 3.05Å; A69-V73 PolarHBondContact O-N 3.09Å; A69-V73 VanDerWaalsContact O-N 3.1Å; A69-F92 HydrophobicContact CB-CE1 4.47Å; A69-A101 HydrophobicContact CB-CB 3.55Å
70Q95.3Very high94Very high46 Ų4667 Ų6722%0.21532%0.316CS..Hα-helixtrans-63.7-42.2174.1179.457.846.700111.6R66 Q67 E68 E72 V73 E74 F92R66-Q70 WeakPolarHBondContact O-CB 3.46Å; R66-Q70 PolarHBondContact O-N 2.72Å; Q67-Q70 PolarHBondContact O-N 2.75Å; E68-Q70 VanDerWaalsContact C-N 3.33Å; E68-Q70 PolarHBondContact O-N 2.7Å; Q70-E72 VanDerWaalsContact C-N 3.31Å; Q70-E72 PolarHBondContact O-N 2.98Å; Q70-V73 WeakPolarHBondContact O-CB 3.34Å; Q70-V73 PolarHBondContact O-N 3.38Å; Q70-E74 WeakPolarHBondContact CG-OE1 3.35Å; Q70-E74 PolarHBondContact NE2-OE1 3.18Å; Q70-E74 WeakPolarHBondContact O-CG 3.33Å; Q70-E74 PolarHBondContact O-N 3.13Å; Q70-F92 HydrophobicContact CB-CZ 4.07Å; Q70-F92 VanDerWaalsContact OE1-CZ 3.27Å
71T94.3Very high94.2Very high48 Ų4868.2 Ų68.229%0.29432%0.321SS..Hα-helixtrans-58.5-44173.7-54.50000110.8Q67 E68 V73 E74 M75Q67-T71 WeakPolarHBondContact O-CB 3.49Å; Q67-T71 PolarHBondContact O-N 3.22Å; Q67-T71 PolarHBondContact O-OG1 3.14Å; E68-T71 WeakPolarHBondContact O-CB 3.21Å; E68-T71 PolarHBondContact O-N 2.83Å; T71-V73 PolarHBondContact O-N 2.93Å; T71-E74 WeakPolarHBondContact O-CB 3.3Å; T71-E74 PolarHBondContact O-N 3.25Å; T71-M75 HydrophobicContact CG2-CE 4.08Å; T71-M75 HydrophobicContact CG2-CG 4.48Å; T71-M75 WeakPolarHBondContact O-CG 3.43Å; T71-M75 PolarHBondContact O-N 3.22Å
72E95.4Very high94.6Very high13 Ų1365.7 Ų65.76%0.06132%0.316CS..Hα-helixtrans-60.8-42.3177.6-172.2177.116500112.3K56 I58 E68 A69 Q70 E74 M75 H76 L103K56-E72 VanDerWaalsContact NZ-CD 3.31Å; K56-E72 IonicContact NZ-OE1 3.82Å; K56-E72 PolarHBondContact NZ-OE1 3.28Å; K56-E72 IonicContact NZ-OE2 2.7Å; K56-E72 PolarHBondContact NZ-OE2 2.93Å; K56-E72 VanDerWaalsContact NZ-OE2 3.15Å; I58-E72 WeakPolarHBondContact CD1-OE2 3.44Å; E68-E72 PolarHBondContact O-N 3.1Å; A69-E72 PolarHBondContact O-N 3.17Å; Q70-E72 VanDerWaalsContact C-N 3.31Å; Q70-E72 PolarHBondContact O-N 2.98Å; E72-E74 PolarHBondContact O-N 3.42Å; E72-M75 PolarHBondContact O-N 3.15Å; E72-H76 PolarHBondContact O-CD2 3.3Å; E72-H76 PolarHBondContact O-N 3.43Å; E72-H76 VanDerWaalsContact O-N 3.09Å; E72-L103 HydrophobicContact CG-CD2 4.07Å
73V96.6Very high95Very high1 Ų161.9 Ų61.91%0.00630%0.296CS..Hα-helixtrans-59-46.6173.4170.10000111.1A69 Q70 T71 M75 H76 Q77 L87 Y90 L103A69-V73 WeakPolarHBondContact O-CG2 3.05Å; A69-V73 PolarHBondContact O-N 3.09Å; A69-V73 VanDerWaalsContact O-N 3.1Å; Q70-V73 WeakPolarHBondContact O-CB 3.34Å; Q70-V73 PolarHBondContact O-N 3.38Å; T71-V73 PolarHBondContact O-N 2.93Å; V73-M75 VanDerWaalsContact C-N 3.33Å; V73-M75 PolarHBondContact O-N 3.35Å; V73-H76 PolarHBondContact O-N 2.98Å; V73-Q77 HydrophobicContact CG1-CG 4.47Å; V73-Q77 WeakPolarHBondContact O-CG 3.49Å; V73-Q77 PolarHBondContact O-N 3.36Å; V73-L87 HydrophobicContact CG1-CD2 3.98Å; V73-Y90 HydrophobicContact CG1-CD1 3.92Å; V73-Y90 HydrophobicContact CG1-CD2 3.79Å; V73-Y90 HydrophobicContact CG1-CE1 4.08Å; V73-Y90 HydrophobicContact CG1-CE2 3.94Å; V73-Y90 HydrophobicContact CG1-CG 3.77Å; V73-Y90 HydrophobicContact CG2-CD2 4.07Å; V73-Y90 HydrophobicContact CG2-CG 4.2Å; V73-L103 HydrophobicContact CG2-CD1 3.98Å; V73-L103 HydrophobicContact CG2-CD2 4.1Å; V73-L103 HydrophobicContact CG2-CG 3.93Å
74E96.7Very high95.4Very high79 Ų7951.6 Ų51.637%0.36926%0.258SS..Hα-helixtrans-62.5-38.9178.9-72.5167.6-163.600112.1Q70 T71 E72 Q77 M78Q70-E74 WeakPolarHBondContact CG-OE1 3.35Å; Q70-E74 PolarHBondContact NE2-OE1 3.18Å; Q70-E74 WeakPolarHBondContact O-CG 3.33Å; Q70-E74 PolarHBondContact O-N 3.13Å; T71-E74 WeakPolarHBondContact O-CB 3.3Å; T71-E74 PolarHBondContact O-N 3.25Å; E72-E74 PolarHBondContact O-N 3.42Å; E74-Q77 PolarHBondContact O-N 2.78Å; E74-M78 WeakPolarHBondContact O-CB 3.39Å; E74-M78 PolarHBondContact O-N 3.37Å
75M97Very high95.8Very high9 Ų945.9 Ų45.94%0.04423%0.231CC..Hα-helixtrans-61.4-46.1174.6-66.4-55.8114.900110.9T71 E72 V73 Q77 M78 F79 Y151 L174 M177T71-M75 HydrophobicContact CG2-CE 4.08Å; T71-M75 HydrophobicContact CG2-CG 4.48Å; T71-M75 WeakPolarHBondContact O-CG 3.43Å; T71-M75 PolarHBondContact O-N 3.22Å; E72-M75 PolarHBondContact O-N 3.15Å; V73-M75 VanDerWaalsContact C-N 3.33Å; V73-M75 PolarHBondContact O-N 3.35Å; M75-Q77 VanDerWaalsContact C-N 3.35Å; M75-Q77 PolarHBondContact O-N 3.23Å; M75-M78 HydrophobicContact CE-CE 4.37Å; M75-M78 WeakPolarHBondContact O-CB 3.46Å; M75-M78 PolarHBondContact O-N 2.91Å; M75-F79 WeakPolarHBondContact O-CD2 3.42Å; M75-F79 WeakPolarHBondContact O-CE2 3.28Å; M75-Y151 HydrophobicContact CE-CD1 4.37Å; M75-Y151 HydrophobicContact CE-CE1 3.72Å; M75-Y151 HydrophobicContact SD-CD1 3.81Å; M75-Y151 HydrophobicContact SD-CE1 3.78Å; M75-L174 HydrophobicContact CB-CB 3.84Å; M75-L174 HydrophobicContact CB-CD1 4.19Å; M75-M177 HydrophobicContact CB-SD 4.38Å; M75-M177 HydrophobicContact CG-CB 3.93Å; M75-M177 HydrophobicContact SD-CB 3.94Å
76H97.1Very high96Very high5 Ų547.6 Ų47.62%0.02324%0.242CC..Hα-helixtrans-61.6-41.6175.9-86.1-77.9000112.9E72 V73 M78 F79 L85 L87 L174E72-H76 PolarHBondContact O-CD2 3.3Å; E72-H76 PolarHBondContact O-N 3.43Å; E72-H76 VanDerWaalsContact O-N 3.09Å; V73-H76 PolarHBondContact O-N 2.98Å; H76-M78 PolarHBondContact O-N 3.03Å; H76-F79 PolarHBondContact O-N 3.33Å; H76-L85 PolarHBondContact CE1-O 3.03Å; H76-L85 PolarHBondContact ND1-O 3.36Å; H76-L87 HydrophobicContact CB-CB 3.65Å; H76-L87 HydrophobicContact CB-CD2 4.2Å; H76-L87 HydrophobicContact CB-CG 4.45Å; H76-L174 HydrophobicContact CB-CD1 4.3Å
77Q96.4Very high96.3Very high108 Ų10845 Ų4551%0.50524%0.235SC..Hα-helixtrans-67.4-25.1178.6-71.6177.6-22.700112.8V73 E74 M75 F79 L87 Y90V73-Q77 HydrophobicContact CG1-CG 4.47Å; V73-Q77 WeakPolarHBondContact O-CG 3.49Å; V73-Q77 PolarHBondContact O-N 3.36Å; E74-Q77 PolarHBondContact O-N 2.78Å; M75-Q77 VanDerWaalsContact C-N 3.35Å; M75-Q77 PolarHBondContact O-N 3.23Å; Q77-F79 VanDerWaalsContact C-N 3.31Å; Q77-F79 PolarHBondContact O-N 3.4Å; Q77-L87 HydrophobicContact CG-CD2 4.18Å; Q77-Y90 VanDerWaalsContact NE2-CE1 3.3Å
78M96.4Very high96.5Very high54 Ų5442.9 Ų42.927%0.26623%0.229SC..Hα-helixtrans-69.2-28.3-179.1-170172-59.600112.9E74 M75 H76 K149 Y151E74-M78 WeakPolarHBondContact O-CB 3.39Å; E74-M78 PolarHBondContact O-N 3.37Å; M75-M78 HydrophobicContact CE-CE 4.37Å; M75-M78 WeakPolarHBondContact O-CB 3.46Å; M75-M78 PolarHBondContact O-N 2.91Å; H76-M78 PolarHBondContact O-N 3.03Å; M78-K149 HydrophobicContact CG-CD 3.74Å; M78-K149 PolarHBondContact O-NZ 3.04Å; M78-K149 HydrophobicContact SD-CB 4.49Å; M78-K149 HydrophobicContact SD-CD 4.08Å; M78-Y151 HydrophobicContact CE-CE1 4.48Å; M78-Y151 HydrophobicContact CE-CE2 3.67Å; M78-Y151 WeakPolarHBondContact CE-OH 3.47Å; M78-Y151 HydrophobicContact SD-CD2 3.74Å; M78-Y151 HydrophobicContact SD-CE2 3.35Å; M78-Y151 WeakPolarHBondContact SD-CE2 3.26Å
79F95.8Very high96.8Very high11 Ų1140.1 Ų40.15%0.04822%0.217CC..  trans-114.3134.6-171.2-55.1-69000112M75 H76 Q77 I84 T145 I146 K149 L174 M177M75-F79 WeakPolarHBondContact O-CD2 3.42Å; M75-F79 WeakPolarHBondContact O-CE2 3.28Å; H76-F79 PolarHBondContact O-N 3.33Å; Q77-F79 VanDerWaalsContact C-N 3.31Å; Q77-F79 PolarHBondContact O-N 3.4Å; F79-I84 HydrophobicContact CB-CB 4.48Å; F79-I84 HydrophobicContact CB-CD1 3.86Å; F79-I84 HydrophobicContact CB-CG2 4.01Å; F79-I84 HydrophobicContact CD1-CD1 4.17Å; F79-I84 HydrophobicContact CG-CD1 3.97Å; F79-T145 HydrophobicContact CD1-CG2 4.11Å; F79-I146 HydrophobicContact CD1-CG1 4.46Å; F79-I146 HydrophobicContact CE1-CB 4.35Å; F79-I146 HydrophobicContact CE1-CG1 4.07Å; F79-I146 HydrophobicContact CE2-CG1 4.32Å; F79-I146 HydrophobicContact CZ-CB 4.31Å; F79-I146 HydrophobicContact CZ-CG1 4.02Å; F79-I146 HydrophobicContact CZ-CG2 4.25Å; F79-K149 HydrophobicContact CD1-CD 3.97Å; F79-K149 HydrophobicContact CE1-CB 4.03Å; F79-K149 HydrophobicContact CE1-CD 3.67Å; F79-K149 HydrophobicContact CE1-CG 4.07Å; F79-L174 HydrophobicContact CD2-CD1 4.48Å; F79-M177 HydrophobicContact CE2-SD 3.93Å
80N95.4Very high96.9Very high161 Ų16144 Ų4486%0.86123%0.232SC*.  trans-130.894168.3-178.419.8000107.9
81H98.2Very high96.9Very high37 Ų3743.1 Ų43.117%0.17123%0.233CC..  trans-152140.2-174.1-174.6-91.2000110.1N83 I84 S141 T145H81-N83 PolarHBondContact CE1-OD1 3.05Å; H81-N83 PolarHBondContact ND1-N 3.31Å; H81-N83 PolarHBondContact O-N 3.34Å; H81-N83 VanDerWaalsContact O-N 3.09Å; H81-I84 HydrophobicContact CB-CB 4.4Å; H81-I84 HydrophobicContact CB-CD1 4.03Å; H81-I84 HydrophobicContact CB-CG1 4.2Å; H81-I84 PolarHBondContact O-N 2.95Å; H81-S141 PolarHBondContact CE1-OG 3.43Å; H81-S141 PolarHBondContact NE2-OG 3.13Å; H81-T145 HydrophobicContact CB-CG2 4.22Å; H81-T145 PolarHBondContact CD2-OG1 3.02Å; H81-T145 VanDerWaalsContact CD2-OG1 3.23Å
82P97.8Very high96.9Very high78 Ų7843.2 Ų43.251%0.50623%0.229SC..THydrogen-bonded Turntrans-63.6-18.7-175.625.8-37.4000114.7
83N98.7Very high96.5Very high14 Ų1443.8 Ų43.88%0.07524%0.235CC..THydrogen-bonded Turntrans-101.714.2176-53.9110.2000114H81 G138 R168 P169 L171H81-N83 PolarHBondContact CE1-OD1 3.05Å; H81-N83 PolarHBondContact ND1-N 3.31Å; H81-N83 PolarHBondContact O-N 3.34Å; H81-N83 VanDerWaalsContact O-N 3.09Å; N83-G138 WeakPolarHBondContact CB-O 3.41Å; N83-G138 PolarHBondContact OD1-O 3.02Å; N83-R168 WeakPolarHBondContact ND2-CG 3.15Å; N83-P169 VanDerWaalsContact CA-O 3.3Å; N83-P169 WeakPolarHBondContact CA-O 3.41Å; N83-P169 WeakPolarHBondContact CB-O 3.35Å; N83-P169 PolarHBondContact ND2-O 2.94Å; N83-L171 WeakPolarHBondContact O-CB 3.49Å; N83-L171 WeakPolarHBondContact O-CG 3.3Å; N83-L171 PolarHBondContact O-N 3.29Å
84I98.6Very high96.1Very high8 Ų848.6 Ų48.64%0.04126%0.26CS..BIsolated β-bridgetrans-128.7131.8174.3-57.7172.9000107.8F79 H81 S86 T145 I146 L174F79-I84 HydrophobicContact CB-CB 4.48Å; F79-I84 HydrophobicContact CB-CD1 3.86Å; F79-I84 HydrophobicContact CB-CG2 4.01Å; F79-I84 HydrophobicContact CD1-CD1 4.17Å; F79-I84 HydrophobicContact CG-CD1 3.97Å; H81-I84 HydrophobicContact CB-CB 4.4Å; H81-I84 HydrophobicContact CB-CD1 4.03Å; H81-I84 HydrophobicContact CB-CG1 4.2Å; H81-I84 PolarHBondContact O-N 2.95Å; I84-S86 PolarHBondContact O-N 3.3Å; I84-S86 VanDerWaalsContact O-N 3.16Å; I84-T145 HydrophobicContact CD1-CG2 4.07Å; I84-I146 HydrophobicContact CD1-CD1 4.05Å; I84-I146 HydrophobicContact CD1-CG1 3.76Å; I84-I146 HydrophobicContact CG1-CD1 4.42Å; I84-L174 HydrophobicContact CG2-CD1 4.32Å; I84-L174 HydrophobicContact CG2-CD2 4.44Å
85L98Very high95.2Very high8 Ų848.5 Ų48.54%0.04227%0.268CS..PPolyproline II helixtrans-64.5117.8-176-169.765.5000110.3H76 L105 P106 V108 L162 V170 L171 M172H76-L85 PolarHBondContact CE1-O 3.03Å; H76-L85 PolarHBondContact ND1-O 3.36Å; L85-L105 HydrophobicContact CD2-CB 4.13Å; L85-L105 HydrophobicContact CD2-CD1 3.93Å; L85-L105 HydrophobicContact CD2-CD2 4.21Å; L85-L105 HydrophobicContact CD2-CG 4.31Å; L85-L105 HydrophobicContact CG-CD2 4.43Å; L85-P106 HydrophobicContact CD1-CB 4.43Å; L85-P106 HydrophobicContact CD1-CG 4.28Å; L85-V108 HydrophobicContact CD1-CG2 4.4Å; L85-L162 HydrophobicContact CD1-CD1 4.25Å; L85-L162 HydrophobicContact CD2-CD1 4.29Å; L85-V170 HydrophobicContact CB-CG1 3.82Å; L85-V170 HydrophobicContact CD1-CG1 3.96Å; L85-L171 VanDerWaalsContact CB-O 3.3Å; L85-L171 WeakPolarHBondContact CB-O 3.45Å; L85-L171 PolarHBondContact N-O 3.28Å; L85-M172 HydrophobicContact CB-CB 4.28Å; L85-M172 HydrophobicContact CD2-CB 3.81Å
86S97.1Very high93.9Very high57 Ų5752.2 Ų52.240%0.39931%0.309SS..PPolyproline II helixtrans-72.9152.1176.960.20000111.6I84 P106I84-S86 PolarHBondContact O-N 3.3Å; I84-S86 VanDerWaalsContact O-N 3.16Å; S86-P106 WeakPolarHBondContact O-CD 3.33Å; S86-P106 WeakPolarHBondContact OG-CG 3.49Å
87L97.9Very high92.9Very high34 Ų3456.2 Ų56.218%0.17835%0.352CS..PPolyproline II helixtrans-92.2125.7168179.771.3000110.2V73 H76 Q77 A89 Y90 L103 L105V73-L87 HydrophobicContact CG1-CD2 3.98Å; H76-L87 HydrophobicContact CB-CB 3.65Å; H76-L87 HydrophobicContact CB-CD2 4.2Å; H76-L87 HydrophobicContact CB-CG 4.45Å; Q77-L87 HydrophobicContact CG-CD2 4.18Å; L87-A89 VanDerWaalsContact CD1-O 3.3Å; L87-A89 WeakPolarHBondContact CD1-O 3.4Å; L87-Y90 HydrophobicContact CD2-CD1 4Å; L87-Y90 HydrophobicContact CD2-CG 4.39Å; L87-L103 HydrophobicContact CD1-CB 3.9Å; L87-L103 HydrophobicContact CD1-CD2 4.34Å; L87-L103 HydrophobicContact CD1-CG 4.08Å; L87-L105 HydrophobicContact CD1-CD2 3.99Å
88V97.6Very high92.1Very high62 Ų6258.1 Ų58.138%0.37636%0.358SS..  trans-81.1-47.3177.9-179.60000110.5Y53 L104 P106Y53-V88 HydrophobicContact CD1-CG1 4.49Å; Y53-V88 HydrophobicContact CD1-CG2 4.06Å; Y53-V88 HydrophobicContact CE1-CG1 4.06Å; Y53-V88 HydrophobicContact CE1-CG2 4.03Å; V88-L104 WeakPolarHBondContact CA-O 3.45Å; V88-L104 HydrophobicContact CB-CB 4.36Å; V88-L104 HydrophobicContact CB-CD2 4.13Å; V88-L104 HydrophobicContact CB-CG 4.21Å; V88-L104 VanDerWaalsContact CB-O 3.29Å; V88-L104 WeakPolarHBondContact CB-O 3.35Å; V88-L104 HydrophobicContact CG1-CD2 3.86Å; V88-L104 HydrophobicContact CG1-CG 4.46Å; V88-L104 PolarHBondContact N-O 2.89Å; V88-P106 HydrophobicContact CG2-CG 4.05Å
89A97.3Very high91.8Very high8 Ų857 Ų577%0.06636%0.355CS..EExtended strand (participates in β ladder)trans-161.8163.6178.600000109.7I22 L87 L104I22-A89 HydrophobicContact CG2-CB 3.57Å; L87-A89 VanDerWaalsContact CD1-O 3.3Å; L87-A89 WeakPolarHBondContact CD1-O 3.4Å; A89-L104 HydrophobicContact CB-CB 4.24Å; A89-L104 HydrophobicContact CB-CD2 4.29Å; A89-L104 PolarHBondContact N-O 3.37Å; A89-L104 WeakPolarHBondContact O-CB 3.33Å; A89-L104 PolarHBondContact O-N 3.07Å
90Y97.1Very high91.7Very high84 Ų8458.2 Ų58.233%0.32936%0.36SS..EExtended strand (participates in β ladder)trans-144.9158.6172.573.3-75.1000111.2V73 Q77 L87 F92 W102V73-Y90 HydrophobicContact CG1-CD1 3.92Å; V73-Y90 HydrophobicContact CG1-CD2 3.79Å; V73-Y90 HydrophobicContact CG1-CE1 4.08Å; V73-Y90 HydrophobicContact CG1-CE2 3.94Å; V73-Y90 HydrophobicContact CG1-CG 3.77Å; V73-Y90 HydrophobicContact CG2-CD2 4.07Å; V73-Y90 HydrophobicContact CG2-CG 4.2Å; Q77-Y90 VanDerWaalsContact NE2-CE1 3.3Å; L87-Y90 HydrophobicContact CD2-CD1 4Å; L87-Y90 HydrophobicContact CD2-CG 4.39Å; Y90-F92 HydrophobicContact CD2-CD2 4.34Å; Y90-F92 HydrophobicContact CD2-CE2 4.05Å; Y90-F92 HydrophobicContact CE2-CD2 4.39Å; Y90-F92 HydrophobicContact CE2-CE2 4.07Å; Y90-W102 CarbonylContact C-O 3.58Å; Y90-W102 WeakPolarHBondContact CA-O 3.38Å; Y90-W102 WeakPolarHBondContact CB-O 3.3Å
91A95.7Very high91.7Very high27 Ų2750.6 Ų50.622%0.22332%0.32CS..EExtended strand (participates in β ladder)trans-149.5152172.700000110.6I22 W102I22-A91 HydrophobicContact CG2-CB 4.28Å; A91-W102 HydrophobicContact CB-CE3 4.49Å; A91-W102 PolarHBondContact N-O 3.35Å; A91-W102 PolarHBondContact O-N 3.03Å
92F93.5Very high91.6Very high49 Ų4950.6 Ų50.622%0.21532%0.318CS..EExtended strand (participates in β ladder)trans-105.4119.9163.9-72-93.9000107.9R66 A69 Q70 Y90 E100 A101R66-F92 HydrophobicContact CG-CD1 4.26Å; R66-F92 HydrophobicContact CG-CE1 3.97Å; A69-F92 HydrophobicContact CB-CE1 4.47Å; Q70-F92 HydrophobicContact CB-CZ 4.07Å; Q70-F92 VanDerWaalsContact OE1-CZ 3.27Å; Y90-F92 HydrophobicContact CD2-CD2 4.34Å; Y90-F92 HydrophobicContact CD2-CE2 4.05Å; Y90-F92 HydrophobicContact CE2-CD2 4.39Å; Y90-F92 HydrophobicContact CE2-CE2 4.07Å; F92-E100 CarbonylContact C-O 3.6Å; F92-E100 WeakPolarHBondContact CA-O 3.43Å; F92-A101 HydrophobicContact CD1-CB 3.92Å; F92-A101 HydrophobicContact CE1-CB 3.61Å; F92-A101 HydrophobicContact CZ-CB 4.2Å
93S88.3Confident91.6Very high26 Ų2646.9 Ų46.918%0.18229%0.294CS..EExtended strand (participates in β ladder)trans-107.7117-179.8-177.80000109.5T99 E100S93-T99 WeakPolarHBondContact O-CA 3.46Å; S93-E100 PolarHBondContact N-O 3.24Å; S93-E100 PolarHBondContact O-N 3.39Å
94D86.9Confident91.5Very high101 Ų10146.2 Ų46.254%0.5429%0.291SS..EExtended strand (participates in β ladder)trans-100112172.2-66.4-51.3000108R66 T99R66-D94 IonicContact NH1-OD1 2.84Å; R66-D94 PolarHBondContact NH1-OD1 3.07Å; R66-D94 IonicContact NH1-OD2 3.89Å; R66-D94 PolarHBondContact NH1-OD2 2.88Å; D94-T99 VanDerWaalsContact OD1-CB 3.29Å; D94-T99 WeakPolarHBondContact OD1-CB 3.15Å; D94-T99 WeakPolarHBondContact OD1-CG2 3.4Å; D94-T99 PolarHBondContact OD1-OG1 2.69Å
95S78.9Confident91.5Very high77 Ų7746.3 Ų46.354%0.53829%0.291SS..EExtended strand (participates in β ladder)trans-144.4124.8-176.5-73.50000111.6G97 K98S95-G97 VanDerWaalsContact C-N 3.26Å; S95-G97 PolarHBondContact O-N 3.16Å; S95-K98 PolarHBondContact N-O 2.75Å; S95-K98 PolarHBondContact O-N 3.03Å
96G70.2Confident91.5Very high87 Ų8747.8 Ų47.890%0.89730%0.301SS*.THydrogen-bonded Turntrans59.232.717500000114.5K98G96-K98 VanDerWaalsContact C-N 3.28Å; G96-K98 PolarHBondContact O-N 3.35Å
97G75.1Confident91.5Very high90 Ų9047.9 Ų47.993%0.92830%0.295SS*.THydrogen-bonded Turntrans78.17.1-177.300000114.8S95S95-G97 VanDerWaalsContact C-N 3.26Å; S95-G97 PolarHBondContact O-N 3.16Å
98K80.2Confident91.4Very high147 Ų14747.2 Ų47.264%0.63929%0.292SS*.EExtended strand (participates in β ladder)trans-110.4134.3172.2-60.5-179.2-177.7-1790109.4S95 G96S95-K98 PolarHBondContact N-O 2.75Å; S95-K98 PolarHBondContact O-N 3.03Å; G96-K98 VanDerWaalsContact C-N 3.28Å; G96-K98 PolarHBondContact O-N 3.35Å
99T89.6Confident91.1Very high31 Ų3150.5 Ų50.519%0.1930%0.298CS..EExtended strand (participates in β ladder)trans-99.1131169.5-62.50000108.5C60 S93 D94C60-T99 HydrophobicContact CB-CG2 3.76Å; C60-T99 WeakPolarHBondContact CB-O 3.2Å; C60-T99 PolarHBondContact N-O 3.28Å; S93-T99 WeakPolarHBondContact O-CA 3.46Å; D94-T99 VanDerWaalsContact OD1-CB 3.29Å; D94-T99 WeakPolarHBondContact OD1-CB 3.15Å; D94-T99 WeakPolarHBondContact OD1-CG2 3.4Å; D94-T99 PolarHBondContact OD1-OG1 2.69Å
100E93.1Very high90.9Very high37 Ų3752.9 Ų52.917%0.17331%0.307CS..EExtended strand (participates in β ladder)trans-121.8139.8169.2-60.4-172176.200110.4R57 I58 L59 F92 S93 W102R57-E100 IonicContact NH1-OE2 3.3Å; I58-E100 CarbonylContact O-C 3.58Å; I58-E100 VanDerWaalsContact O-CA 3.26Å; I58-E100 WeakPolarHBondContact O-CA 3.49Å; L59-E100 HydrophobicContact CD2-CG 3.85Å; L59-E100 WeakPolarHBondContact CD2-OE1 3.27Å; F92-E100 CarbonylContact C-O 3.6Å; F92-E100 WeakPolarHBondContact CA-O 3.43Å; S93-E100 PolarHBondContact N-O 3.24Å; S93-E100 PolarHBondContact O-N 3.39Å; E100-W102 PolarHBondContact OE2-NE1 3.48Å
101A95.4Very high90.8Very high1 Ų150 Ų501%0.00830%0.302CS..EExtended strand (participates in β ladder)trans-97128.7164.200000109.2R57 I58 A69 F92 L103R57-A101 CarbonylContact C-O 3.56Å; R57-A101 WeakPolarHBondContact CA-O 3.44Å; I58-A101 HydrophobicContact CB-CB 4.31Å; I58-A101 PolarHBondContact N-O 2.87Å; I58-A101 PolarHBondContact O-N 3.03Å; A69-A101 HydrophobicContact CB-CB 3.55Å; F92-A101 HydrophobicContact CD1-CB 3.92Å; F92-A101 HydrophobicContact CE1-CB 3.61Å; F92-A101 HydrophobicContact CZ-CB 4.2Å; A101-L103 HydrophobicContact CB-CD1 4.33Å
102W96.6Very high90.9Very high36 Ų3649.9 Ų49.914%0.13630%0.299CS..EExtended strand (participates in β ladder)trans-111123.2179.4-64.2-5.5000109.1I20 I22 L55 K56 R57 Y90 A91 E100I20-W102 HydrophobicContact CB-CH2 4.31Å; I20-W102 HydrophobicContact CB-CZ3 3.97Å; I20-W102 HydrophobicContact CD1-CE3 4.23Å; I20-W102 HydrophobicContact CD1-CZ3 4.38Å; I20-W102 HydrophobicContact CG2-CH2 4.03Å; I20-W102 HydrophobicContact CG2-CZ3 4.16Å; I22-W102 HydrophobicContact CD1-CB 4.31Å; I22-W102 HydrophobicContact CD1-CE3 4.23Å; I22-W102 HydrophobicContact CG1-CE3 4Å; L55-W102 HydrophobicContact CD1-CB 4.15Å; K56-W102 CarbonylContact O-C 3.5Å; K56-W102 WeakPolarHBondContact O-CA 3.34Å; R57-W102 HydrophobicContact CG-CG 4.37Å; Y90-W102 CarbonylContact C-O 3.58Å; Y90-W102 WeakPolarHBondContact CA-O 3.38Å; Y90-W102 WeakPolarHBondContact CB-O 3.3Å; A91-W102 HydrophobicContact CB-CE3 4.49Å; A91-W102 PolarHBondContact N-O 3.35Å; A91-W102 PolarHBondContact O-N 3.03Å; E100-W102 PolarHBondContact OE2-NE1 3.48Å
103L97.5Very high91.2Very high0 Ų047.6 Ų47.60%029%0.288CS..EExtended strand (participates in β ladder)trans-116.5115.9175-72.673.7000108K56 I58 E72 V73 L87 A101K56-L103 HydrophobicContact CB-CB 4.31Å; K56-L103 PolarHBondContact N-O 3.12Å; K56-L103 PolarHBondContact O-N 3.12Å; I58-L103 HydrophobicContact CD1-CD1 4.04Å; E72-L103 HydrophobicContact CG-CD2 4.07Å; V73-L103 HydrophobicContact CG2-CD1 3.98Å; V73-L103 HydrophobicContact CG2-CD2 4.1Å; V73-L103 HydrophobicContact CG2-CG 3.93Å; L87-L103 HydrophobicContact CD1-CB 3.9Å; L87-L103 HydrophobicContact CD1-CD2 4.34Å; L87-L103 HydrophobicContact CD1-CG 4.08Å; A101-L103 HydrophobicContact CB-CD1 4.33Å
104L98.1Very high91.6Very high0 Ų048.7 Ų48.70%029%0.289CS..EExtended strand (participates in β ladder)trans-91.4119.3174.9-169.873.6000109I22 Y27 V44 Y53 L55 V88 A89I22-L104 HydrophobicContact CD1-CB 4.17Å; Y27-L104 HydrophobicContact CD1-CD1 4.41Å; Y27-L104 HydrophobicContact CD1-CD2 4.27Å; Y27-L104 HydrophobicContact CE1-CD1 4.43Å; Y27-L104 HydrophobicContact CE1-CD2 3.52Å; Y27-L104 HydrophobicContact CE2-CD2 3.9Å; Y27-L104 VanDerWaalsContact OH-CD2 3.27Å; Y27-L104 WeakPolarHBondContact OH-CD2 3.23Å; V44-L104 HydrophobicContact CG2-CD1 3.79Å; Y53-L104 HydrophobicContact CD1-CD2 4.4Å; Y53-L104 HydrophobicContact CD1-CG 4.26Å; Y53-L104 HydrophobicContact CG-CD1 4.09Å; Y53-L104 HydrophobicContact CG-CD2 4.42Å; Y53-L104 HydrophobicContact CG-CG 4.23Å; L55-L104 HydrophobicContact CB-CD1 4.46Å; L55-L104 HydrophobicContact CD1-CD1 4.29Å; V88-L104 WeakPolarHBondContact CA-O 3.45Å; V88-L104 HydrophobicContact CB-CB 4.36Å; V88-L104 HydrophobicContact CB-CD2 4.13Å; V88-L104 HydrophobicContact CB-CG 4.21Å; V88-L104 VanDerWaalsContact CB-O 3.29Å; V88-L104 WeakPolarHBondContact CB-O 3.35Å; V88-L104 HydrophobicContact CG1-CD2 3.86Å; V88-L104 HydrophobicContact CG1-CG 4.46Å; V88-L104 PolarHBondContact N-O 2.89Å; A89-L104 HydrophobicContact CB-CB 4.24Å; A89-L104 HydrophobicContact CB-CD2 4.29Å; A89-L104 PolarHBondContact N-O 3.37Å; A89-L104 WeakPolarHBondContact O-CB 3.33Å; A89-L104 PolarHBondContact O-N 3.07Å
105L98Very high92.1Very high10 Ų1045.9 Ų45.95%0.05228%0.277CS..EExtended strand (participates in β ladder)trans-122.6152.4-172.5-57.3168.8000110Y53 A54 K56 L85 L87 F107Y53-L105 CarbonylContact C-O 3.58Å; Y53-L105 WeakPolarHBondContact CA-O 3.4Å; Y53-L105 WeakPolarHBondContact CB-O 3.39Å; A54-L105 HydrophobicContact CB-CB 4.37Å; A54-L105 PolarHBondContact N-O 3.49Å; A54-L105 WeakPolarHBondContact O-CB 3.31Å; A54-L105 PolarHBondContact O-N 3.37Å; K56-L105 HydrophobicContact CB-CD1 4.33Å; L85-L105 HydrophobicContact CD2-CB 4.13Å; L85-L105 HydrophobicContact CD2-CD1 3.93Å; L85-L105 HydrophobicContact CD2-CD2 4.21Å; L85-L105 HydrophobicContact CD2-CG 4.31Å; L85-L105 HydrophobicContact CG-CD2 4.43Å; L87-L105 HydrophobicContact CD1-CD2 3.99Å; L105-F107 PolarHBondContact O-N 3.45Å
106P97.5Very high93Very high40 Ų4043.5 Ų43.526%0.2626%0.259SS..EExtended strand (participates in β ladder)trans-58.4137.2170.8-2132.6000110.9L85 S86 V88L85-P106 HydrophobicContact CD1-CB 4.43Å; L85-P106 HydrophobicContact CD1-CG 4.28Å; S86-P106 WeakPolarHBondContact O-CD 3.33Å; S86-P106 WeakPolarHBondContact OG-CG 3.49Å; V88-P106 HydrophobicContact CG2-CG 4.05Å
107F97.6Very high94.3Very high59 Ų5939.3 Ų39.326%0.25922%0.216SC..  trans-83.2118.3171.3176.6-115000110.4L33 L43 F52 L105 R109L33-F107 HydrophobicContact CD1-CD2 4.05Å; L33-F107 HydrophobicContact CD1-CE2 4.04Å; L33-F107 HydrophobicContact CD2-CE2 4.2Å; L43-F107 HydrophobicContact CD1-CB 4.13Å; L43-F107 HydrophobicContact CD1-CD1 3.88Å; L43-F107 HydrophobicContact CD1-CD2 3.6Å; L43-F107 HydrophobicContact CD1-CE1 4.17Å; L43-F107 HydrophobicContact CD1-CE2 3.91Å; L43-F107 HydrophobicContact CD1-CG 3.58Å; L43-F107 HydrophobicContact CD1-CZ 4.19Å; F52-F107 HydrophobicContact CB-CB 4.13Å; F52-F107 HydrophobicContact CB-CD1 3.94Å; F52-F107 HydrophobicContact CB-CG 4.34Å; F52-F107 WeakPolarHBondContact O-CB 3.3Å; L105-F107 PolarHBondContact O-N 3.45Å; F107-R109 HydrophobicContact CE1-CB 4.17Å; F107-R109 HydrophobicContact CE1-CG 4.46Å
108V95.9Very high95.4Very high20 Ų2038 Ų3812%0.12119%0.186CC..  trans-99.4109.9177.8-173.30000109.6L85 K110 G111 L162 L163 D164L85-V108 HydrophobicContact CD1-CG2 4.4Å; V108-K110 PolarHBondContact O-N 2.81Å; V108-G111 PolarHBondContact O-N 3.03Å; V108-L162 HydrophobicContact CB-CB 4.01Å; V108-L162 HydrophobicContact CB-CD1 3.99Å; V108-L162 HydrophobicContact CB-CG 4.42Å; V108-L162 HydrophobicContact CG1-CB 3.98Å; V108-L162 HydrophobicContact CG2-CB 4.2Å; V108-L162 HydrophobicContact CG2-CD1 3.75Å; V108-L163 VanDerWaalsContact CG1-C 3.46Å; V108-L163 WeakPolarHBondContact CG1-O 3.35Å; V108-D164 HydrophobicContact CG1-CB 4.21Å
109R90.4Very high96.2Very high130 Ų13034.6 Ų34.649%0.49117%0.171SC..THydrogen-bonded Turntrans-66.8-37.7-162.6-179.6-176.1-58.1-83.6-0.9115.1F107 G111 E165F107-R109 HydrophobicContact CE1-CB 4.17Å; F107-R109 HydrophobicContact CE1-CG 4.46Å; R109-G111 PolarHBondContact O-N 2.97Å; R109-E165 WeakPolarHBondContact CB-OE1 3.22Å; R109-E165 WeakPolarHBondContact CD-OE1 3.43Å
110K93.6Very high96.5Very high59 Ų5934.6 Ų34.626%0.25717%0.17SC..THydrogen-bonded Turntrans-70-12.2178.8-59.4-169.9176.8143.30113.1V108 L163 D164 E165 D167V108-K110 PolarHBondContact O-N 2.81Å; K110-L163 VanDerWaalsContact CB-O 3.3Å; K110-L163 WeakPolarHBondContact CB-O 3.46Å; K110-D164 WeakPolarHBondContact CD-O 3.22Å; K110-D164 WeakPolarHBondContact CE-O 3.49Å; K110-D164 PolarHBondContact NZ-O 2.81Å; K110-E165 WeakPolarHBondContact CE-OE2 3.35Å; K110-E165 PolarHBondContact NZ-O 3.32Å; K110-D167 IonicContact NZ-OD1 2.63Å; K110-D167 PolarHBondContact NZ-OD1 3.06Å
111G95.6Very high96.7Very high22 Ų2237.8 Ų37.823%0.22718%0.18CC..  trans76.2-148.2-179.300000112.1V108 R109 L162 L163V108-G111 PolarHBondContact O-N 3.03Å; R109-G111 PolarHBondContact O-N 2.97Å; G111-L162 WeakPolarHBondContact O-CA 3.4Å; G111-L163 PolarHBondContact O-N 2.87Å
112T97.9Very high96.7Very high26 Ų2643.8 Ų43.816%0.1621%0.212CC..BIsolated β-bridgetrans-82.6154.6-173.367.20000112.3W114 S115 V116 T159 V161 L162T112-W114 PolarHBondContact O-N 3.21Å; T112-S115 PolarHBondContact O-N 3.17Å; T112-S115 VanDerWaalsContact O-N 3.17Å; T112-S115 PolarHBondContact OG1-N 2.96Å; T112-S115 VanDerWaalsContact OG1-N 3.16Å; T112-S115 PolarHBondContact OG1-OG 2.96Å; T112-V116 PolarHBondContact O-N 3.18Å; T112-T159 WeakPolarHBondContact CG2-O 3.16Å; T112-V161 CarbonylContact C-O 3.58Å; T112-V161 VanDerWaalsContact CA-O 3.3Å; T112-V161 WeakPolarHBondContact CA-O 3.19Å; T112-L162 HydrophobicContact CG2-CD2 4.09Å
113L98.6Very high96.8Very high0 Ų050 Ų500%024%0.24CC..Hα-helixtrans-55.6-41.8169.8172.962.4000109.9S115 V116 L117 M127 I135 I139 P158 V161 L163 V231 M235L113-S115 PolarHBondContact O-N 3.14Å; L113-V116 WeakPolarHBondContact O-CA 3.42Å; L113-V116 WeakPolarHBondContact O-CB 3.44Å; L113-V116 PolarHBondContact O-N 3.1Å; L113-L117 HydrophobicContact CD1-CD2 4.33Å; L113-L117 HydrophobicContact CD1-CG 4.23Å; L113-L117 HydrophobicContact CG-CD1 4.18Å; L113-L117 HydrophobicContact CG-CG 4.35Å; L113-L117 WeakPolarHBondContact O-CG 3.47Å; L113-L117 PolarHBondContact O-N 3.28Å; L113-M127 HydrophobicContact CD1-CE 4.16Å; L113-I135 HydrophobicContact CD1-CD1 4.47Å; L113-I135 HydrophobicContact CD1-CG2 4.49Å; L113-I139 HydrophobicContact CD2-CD1 4.46Å; L113-P158 HydrophobicContact CB-CB 4.44Å; L113-P158 WeakPolarHBondContact CB-O 3.47Å; L113-P158 HydrophobicContact CD2-CB 4.32Å; L113-P158 HydrophobicContact CG-CB 4.28Å; L113-P158 PolarHBondContact N-O 2.92Å; L113-V161 HydrophobicContact CB-CB 4.03Å; L113-V161 HydrophobicContact CB-CG1 4.22Å; L113-V161 HydrophobicContact CD2-CB 4.37Å; L113-V161 HydrophobicContact CD2-CG1 4.4Å; L113-V161 PolarHBondContact N-O 3.19Å; L113-L163 HydrophobicContact CB-CG 4.46Å; L113-L163 HydrophobicContact CD1-CD1 3.96Å; L113-V231 HydrophobicContact CD2-CG1 3.9Å; L113-M235 HydrophobicContact CD1-CG 4.18Å; L113-M235 HydrophobicContact CD1-SD 4.25Å; L113-M235 HydrophobicContact CD2-CG 3.99Å; L113-M235 HydrophobicContact CD2-SD 3.97Å
114W97.9Very high96.7Very high49 Ų4953.6 Ų53.619%0.18628%0.277CS..Hα-helixtrans-52.7-50.5174.7-174.5-107.3000112.5T112 V116 L117 E118 P158 T159T112-W114 PolarHBondContact O-N 3.21Å; W114-V116 PolarHBondContact O-N 3.33Å; W114-L117 HydrophobicContact CE3-CD1 4.5Å; W114-L117 PolarHBondContact O-N 3.39Å; W114-E118 HydrophobicContact CD2-CG 4.37Å; W114-E118 HydrophobicContact CG-CG 4.45Å; W114-E118 HydrophobicContact CZ2-CG 4.28Å; W114-E118 PolarHBondContact NE1-OE1 3.18Å; W114-E118 PolarHBondContact NE1-OE2 3.08Å; W114-E118 WeakPolarHBondContact O-CG 3.45Å; W114-E118 PolarHBondContact O-N 3.2Å; W114-P158 HydrophobicContact CB-CB 3.95Å; W114-P158 HydrophobicContact CE3-CB 4.06Å; W114-P158 HydrophobicContact CE3-CG 4.31Å; W114-P158 PolarHBondContact N-O 3.15Å; W114-P158 VanDerWaalsContact N-O 3.11Å; W114-T159 HydrophobicContact CB-CG2 3.61Å; W114-T159 HydrophobicContact CG-CG2 3.81Å
115S96.7Very high96.6Very high43 Ų4356.6 Ų56.630%0.30130%0.298SS..Hα-helixtrans-61.5-26.7178.4-68.10000113.6T112 L113 K119T112-S115 PolarHBondContact O-N 3.17Å; T112-S115 VanDerWaalsContact O-N 3.17Å; T112-S115 PolarHBondContact OG1-N 2.96Å; T112-S115 VanDerWaalsContact OG1-N 3.16Å; T112-S115 PolarHBondContact OG1-OG 2.96Å; L113-S115 PolarHBondContact O-N 3.14Å; S115-K119 WeakPolarHBondContact O-CD 3.47Å; S115-K119 VanDerWaalsContact O-CG 3.26Å; S115-K119 WeakPolarHBondContact O-CG 3.23Å; S115-K119 PolarHBondContact O-N 3.41Å
116V97.1Very high96.5Very high26 Ų2659 Ų5916%0.15832%0.316CS..Hα-helixtrans-74.1-43.7172.61740000110.9T112 L113 W114 E118 K119 L120 M127 L163T112-V116 PolarHBondContact O-N 3.18Å; L113-V116 WeakPolarHBondContact O-CA 3.42Å; L113-V116 WeakPolarHBondContact O-CB 3.44Å; L113-V116 PolarHBondContact O-N 3.1Å; W114-V116 PolarHBondContact O-N 3.33Å; V116-E118 PolarHBondContact O-N 3.44Å; V116-K119 PolarHBondContact O-N 3.18Å; V116-L120 PolarHBondContact O-N 2.85Å; V116-L120 VanDerWaalsContact O-N 3.1Å; V116-M127 HydrophobicContact CG1-CE 4.21Å; V116-L163 HydrophobicContact CB-CD1 4.35Å; V116-L163 HydrophobicContact CG2-CD1 3.99Å
117L97.9Very high96.5Very high0 Ų057.1 Ų57.10%030%0.303CS..Hα-helixtrans-62.3-42177.2-60.3176.9000112L113 W114 K119 L120 R121 M127 P158 C234 M235 L238L113-L117 HydrophobicContact CD1-CD2 4.33Å; L113-L117 HydrophobicContact CD1-CG 4.23Å; L113-L117 HydrophobicContact CG-CD1 4.18Å; L113-L117 HydrophobicContact CG-CG 4.35Å; L113-L117 WeakPolarHBondContact O-CG 3.47Å; L113-L117 PolarHBondContact O-N 3.28Å; W114-L117 HydrophobicContact CE3-CD1 4.5Å; W114-L117 PolarHBondContact O-N 3.39Å; L117-K119 PolarHBondContact O-N 2.71Å; L117-L120 PolarHBondContact O-N 3.34Å; L117-R121 PolarHBondContact O-N 3.23Å; L117-M127 HydrophobicContact CD2-CE 3.7Å; L117-P158 HydrophobicContact CD1-CB 4.38Å; L117-C234 HydrophobicContact CD1-CB 3.78Å; L117-M235 HydrophobicContact CD2-CG 4.33Å; L117-L238 HydrophobicContact CB-CD2 4.29Å; L117-L238 HydrophobicContact CD2-CD2 3.73Å
118E97.4Very high96.4Very high63 Ų6357.4 Ų57.429%0.29431%0.312SS..Hα-helixtrans-59.5-45.1175-68.1-172.7126.300111.8W114 V116 L120 R121 D122W114-E118 HydrophobicContact CD2-CG 4.37Å; W114-E118 HydrophobicContact CG-CG 4.45Å; W114-E118 HydrophobicContact CZ2-CG 4.28Å; W114-E118 PolarHBondContact NE1-OE1 3.18Å; W114-E118 PolarHBondContact NE1-OE2 3.08Å; W114-E118 WeakPolarHBondContact O-CG 3.45Å; W114-E118 PolarHBondContact O-N 3.2Å; V116-E118 PolarHBondContact O-N 3.44Å; E118-L120 VanDerWaalsContact C-N 3.28Å; E118-L120 PolarHBondContact O-N 3.37Å; E118-R121 WeakPolarHBondContact O-CB 3.38Å; E118-R121 PolarHBondContact O-N 3.11Å; E118-R121 IonicContact OE1-NH2 2.69Å; E118-D122 PolarHBondContact O-N 3.5Å
119K97Very high96.5Very high75 Ų7558.5 Ų58.533%0.32632%0.315SS..Hα-helixtrans-62.8-33.1177.1-73.1170.7-175177.10112.9S115 V116 L117 K123S115-K119 WeakPolarHBondContact O-CD 3.47Å; S115-K119 VanDerWaalsContact O-CG 3.26Å; S115-K119 WeakPolarHBondContact O-CG 3.23Å; S115-K119 PolarHBondContact O-N 3.41Å; V116-K119 PolarHBondContact O-N 3.18Å; L117-K119 PolarHBondContact O-N 2.71Å; K119-K123 WeakPolarHBondContact O-CD 3.36Å; K119-K123 VanDerWaalsContact O-CG 3.22Å; K119-K123 WeakPolarHBondContact O-CG 3.39Å; K119-K123 PolarHBondContact O-N 3.14Å
120L97.1Very high96.8Very high30 Ų3057.7 Ų57.716%0.15732%0.321CS..Hα-helixtrans-70.2-44.7175.1-71.5172000110.6V116 L117 E118 K123 G124 S125 M127 L238V116-L120 PolarHBondContact O-N 2.85Å; V116-L120 VanDerWaalsContact O-N 3.1Å; L117-L120 PolarHBondContact O-N 3.34Å; E118-L120 VanDerWaalsContact C-N 3.28Å; E118-L120 PolarHBondContact O-N 3.37Å; L120-K123 CarbonylContact O-C 3.47Å; L120-K123 PolarHBondContact O-N 2.89Å; L120-K123 VanDerWaalsContact O-N 3.17Å; L120-G124 PolarHBondContact O-N 3.15Å; L120-G124 VanDerWaalsContact O-N 3.14Å; L120-S125 PolarHBondContact O-N 3.08Å; L120-M127 HydrophobicContact CD1-CB 3.9Å; L120-M127 HydrophobicContact CD1-CE 4.03Å; L120-L238 HydrophobicContact CB-CD1 4.04Å; L120-L238 HydrophobicContact CB-CD2 4.18Å; L120-L238 HydrophobicContact CD1-CD2 4.26Å
121R96.3Very high97Very high104 Ų10457.2 Ų57.239%0.39232%0.319SS..Hα-helixtrans-59-48.4176.9-176.6-179.364.9-149-0.1111.7L117 E118 K123 G124 L238L117-R121 PolarHBondContact O-N 3.23Å; E118-R121 WeakPolarHBondContact O-CB 3.38Å; E118-R121 PolarHBondContact O-N 3.11Å; E118-R121 IonicContact OE1-NH2 2.69Å; R121-K123 PolarHBondContact O-N 3.21Å; R121-G124 PolarHBondContact O-N 3.34Å; R121-L238 HydrophobicContact CB-CB 4.21Å; R121-L238 HydrophobicContact CB-CD1 4.14Å
122D96.9Very high97.2Very high127 Ų12756.1 Ų56.168%0.67931%0.308SS*.Hα-helixtrans-61.6-27.4179.5-67-10.4000112.5E118E118-D122 PolarHBondContact O-N 3.5Å
123K96.9Very high97.2Very high167 Ų16755 Ų5573%0.72630%0.301SS*.THydrogen-bonded Turntrans-88.6-4.7176.1-69.4175.5-176.5-177.60113.6K119 L120 R121 S125K119-K123 WeakPolarHBondContact O-CD 3.36Å; K119-K123 VanDerWaalsContact O-CG 3.22Å; K119-K123 WeakPolarHBondContact O-CG 3.39Å; K119-K123 PolarHBondContact O-N 3.14Å; L120-K123 CarbonylContact O-C 3.47Å; L120-K123 PolarHBondContact O-N 2.89Å; L120-K123 VanDerWaalsContact O-N 3.17Å; R121-K123 PolarHBondContact O-N 3.21Å; K123-S125 PolarHBondContact O-N 3.15Å
124G95.8Very high97.2Very high75 Ų7559.8 Ų59.877%0.77332%0.322SS*.THydrogen-bonded Turntrans6230.3-172.400000113.4L120 R121L120-G124 PolarHBondContact O-N 3.15Å; L120-G124 VanDerWaalsContact O-N 3.14Å; R121-G124 PolarHBondContact O-N 3.34Å
125S96.1Very high97.2Very high63 Ų6357.5 Ų57.544%0.44131%0.313SS..  trans-108.8169.1179.9-164.50000110.9L120 K123 L238L120-S125 PolarHBondContact O-N 3.08Å; K123-S125 PolarHBondContact O-N 3.15Å; S125-L238 WeakPolarHBondContact O-CD1 3.44Å
126S96.1Very high97.3Very high61 Ų6155.4 Ų55.443%0.42730%0.299SS..  trans-119.3161.217659.90000111.2P128S126-P128 WeakPolarHBondContact O-CD 3.17Å
127M97.3Very high97.4Very high0 Ų059.8 Ų59.80%031%0.313CS..  trans-81.1125.9172.5-171.5173-75.400109.3L113 V116 L117 L120 E129 Q131 I132 I135 M235 Y268L113-M127 HydrophobicContact CD1-CE 4.16Å; V116-M127 HydrophobicContact CG1-CE 4.21Å; L117-M127 HydrophobicContact CD2-CE 3.7Å; L120-M127 HydrophobicContact CD1-CB 3.9Å; L120-M127 HydrophobicContact CD1-CE 4.03Å; M127-E129 PolarHBondContact O-N 3.4Å; M127-Q131 HydrophobicContact CG-CB 4.08Å; M127-Q131 HydrophobicContact CG-CG 4.21Å; M127-Q131 HydrophobicContact SD-CG 4.35Å; M127-I132 HydrophobicContact CB-CD1 4.25Å; M127-I132 HydrophobicContact CB-CG1 3.94Å; M127-I132 HydrophobicContact CG-CD1 4.49Å; M127-I132 HydrophobicContact CG-CG1 3.65Å; M127-I132 HydrophobicContact SD-CG1 3.66Å; M127-I135 HydrophobicContact CE-CD1 4.16Å; M127-I135 HydrophobicContact SD-CD1 3.97Å; M127-M235 HydrophobicContact SD-CB 4.34Å; M127-M235 HydrophobicContact SD-CG 4.36Å; M127-M235 HydrophobicContact SD-SD 4.35Å; M127-Y268 VanDerWaalsContact O-CE1 3.31Å; M127-Y268 WeakPolarHBondContact O-CE1 3.43Å; M127-Y268 PolarHBondContact O-OH 3.04Å; M127-Y268 VanDerWaalsContact O-OH 3.14Å
128P97Very high97.4Very high66 Ų6660.1 Ų60.143%0.42932%0.316SS..  trans-56.3138173.7-28.837.6000112.6S126 N130 Q131 I132S126-P128 WeakPolarHBondContact O-CD 3.17Å; P128-N130 VanDerWaalsContact C-N 3.27Å; P128-N130 WeakPolarHBondContact CB-OD1 3.46Å; P128-N130 PolarHBondContact O-N 2.83Å; P128-Q131 HydrophobicContact CB-CB 4.29Å; P128-Q131 WeakPolarHBondContact O-CA 3.47Å; P128-Q131 VanDerWaalsContact O-CB 3.3Å; P128-Q131 WeakPolarHBondContact O-CB 3.45Å; P128-Q131 PolarHBondContact O-N 3.16Å; P128-I132 PolarHBondContact O-N 2.87Å
129E97.6Very high97.5Very high43 Ų4357.1 Ų57.120%0.20130%0.302CS..Hα-helixtrans-56.9-38.5-176.5-178.5162.4145.300113M127 Q131 I132 L133 Y268 S269 L272M127-E129 PolarHBondContact O-N 3.4Å; E129-Q131 VanDerWaalsContact C-N 3.29Å; E129-Q131 PolarHBondContact O-N 3.02Å; E129-I132 WeakPolarHBondContact O-CB 3.49Å; E129-I132 PolarHBondContact O-N 3.09Å; E129-L133 HydrophobicContact CG-CD1 4.21Å; E129-L133 HydrophobicContact CG-CG 4.42Å; E129-L133 WeakPolarHBondContact O-CG 3.48Å; E129-L133 PolarHBondContact O-N 3.2Å; E129-Y268 HydrophobicContact CB-CD1 4.1Å; E129-S269 VanDerWaalsContact OE1-CB 3.24Å; E129-S269 WeakPolarHBondContact OE1-CB 3.42Å; E129-S269 PolarHBondContact OE1-OG 2.84Å; E129-S269 WeakPolarHBondContact OE2-CB 3.44Å; E129-S269 PolarHBondContact OE2-N 2.72Å; E129-S269 PolarHBondContact OE2-OG 2.97Å; E129-L272 HydrophobicContact CG-CD2 4.13Å
130N96.9Very high97.6Very high113 Ų11353.6 Ų53.660%0.60429%0.287SS*.Hα-helixtrans-62.4-36175.263.5-22.5000112.6P128 K134P128-N130 VanDerWaalsContact C-N 3.27Å; P128-N130 WeakPolarHBondContact CB-OD1 3.46Å; P128-N130 PolarHBondContact O-N 2.83Å; N130-K134 WeakPolarHBondContact O-CB 3.42Å; N130-K134 PolarHBondContact O-N 3.43Å
131Q97.7Very high97.7Very high48 Ų4854 Ų5422%0.22429%0.293CS..Hα-helixtrans-69.7-42.9174.5-167.5179.826.800110.5M127 P128 E129 L133 K134 I135 D167M127-Q131 HydrophobicContact CG-CB 4.08Å; M127-Q131 HydrophobicContact CG-CG 4.21Å; M127-Q131 HydrophobicContact SD-CG 4.35Å; P128-Q131 HydrophobicContact CB-CB 4.29Å; P128-Q131 WeakPolarHBondContact O-CA 3.47Å; P128-Q131 VanDerWaalsContact O-CB 3.3Å; P128-Q131 WeakPolarHBondContact O-CB 3.45Å; P128-Q131 PolarHBondContact O-N 3.16Å; E129-Q131 VanDerWaalsContact C-N 3.29Å; E129-Q131 PolarHBondContact O-N 3.02Å; Q131-L133 PolarHBondContact O-N 3.02Å; Q131-K134 PolarHBondContact O-N 3.25Å; Q131-I135 HydrophobicContact CG-CD1 4.01Å; Q131-I135 WeakPolarHBondContact O-CG1 3.04Å; Q131-I135 PolarHBondContact O-N 2.81Å; Q131-D167 PolarHBondContact NE2-OD2 3.42Å
132I98.6Very high97.8Very high0 Ų049.1 Ų49.10%027%0.274CS..Hα-helixtrans-55-53172.4-62.2-177.7000109.9M127 P128 E129 K134 I135 F136 L232 M235 M236 Y268 L272M127-I132 HydrophobicContact CB-CD1 4.25Å; M127-I132 HydrophobicContact CB-CG1 3.94Å; M127-I132 HydrophobicContact CG-CD1 4.49Å; M127-I132 HydrophobicContact CG-CG1 3.65Å; M127-I132 HydrophobicContact SD-CG1 3.66Å; P128-I132 PolarHBondContact O-N 2.87Å; E129-I132 WeakPolarHBondContact O-CB 3.49Å; E129-I132 PolarHBondContact O-N 3.09Å; I132-K134 VanDerWaalsContact C-N 3.32Å; I132-K134 PolarHBondContact O-N 3.05Å; I132-I135 PolarHBondContact O-N 2.9Å; I132-F136 WeakPolarHBondContact O-CB 3.41Å; I132-F136 PolarHBondContact O-N 2.92Å; I132-L232 HydrophobicContact CG2-CD1 3.63Å; I132-M235 HydrophobicContact CD1-CB 4.24Å; I132-M235 HydrophobicContact CG1-CB 4.13Å; I132-M235 HydrophobicContact CG2-CB 4.13Å; I132-M235 HydrophobicContact CG2-CE 4.01Å; I132-M235 HydrophobicContact CG2-SD 4.35Å; I132-M236 HydrophobicContact CD1-CG 4.18Å; I132-Y268 HydrophobicContact CD1-CD1 4.02Å; I132-Y268 HydrophobicContact CD1-CE1 3.32Å; I132-L272 HydrophobicContact CD1-CD2 4.29Å; I132-L272 HydrophobicContact CG2-CD2 4.34Å
133L98.6Very high97.9Very high1 Ų143 Ų431%0.00524%0.242CC..Hα-helixtrans-62-38.1-178.5-68.9171.9000112.3E129 Q131 R137 L272 V297 L300 Q301E129-L133 HydrophobicContact CG-CD1 4.21Å; E129-L133 HydrophobicContact CG-CG 4.42Å; E129-L133 WeakPolarHBondContact O-CG 3.48Å; E129-L133 PolarHBondContact O-N 3.2Å; Q131-L133 PolarHBondContact O-N 3.02Å; L133-R137 WeakPolarHBondContact O-CB 3.19Å; L133-R137 PolarHBondContact O-N 3.24Å; L133-L272 HydrophobicContact CD2-CD1 3.94Å; L133-V297 HydrophobicContact CD2-CG1 4.17Å; L133-L300 HydrophobicContact CD1-CB 4.02Å; L133-L300 HydrophobicContact CD2-CB 4.05Å; L133-L300 HydrophobicContact CD2-CD1 4Å; L133-Q301 HydrophobicContact CB-CG 3.87Å; L133-Q301 HydrophobicContact CD1-CG 4.1Å; L133-Q301 PolarHBondContact O-NE2 2.86Å
134K98.3Very high98Very high102 Ų10238.5 Ų38.544%0.44322%0.222SC..Hα-helixtrans-62.2-51176-177.3-174.7-177.3-175.30111.6N130 Q131 I132 G138 E166N130-K134 WeakPolarHBondContact O-CB 3.42Å; N130-K134 PolarHBondContact O-N 3.43Å; Q131-K134 PolarHBondContact O-N 3.25Å; I132-K134 VanDerWaalsContact C-N 3.32Å; I132-K134 PolarHBondContact O-N 3.05Å; K134-G138 PolarHBondContact O-N 2.96Å; K134-E166 WeakPolarHBondContact CE-O 3.4Å; K134-E166 PolarHBondContact NZ-O 2.86Å
135I98.8Very high98.1Very high0 Ų036.6 Ų36.60%020%0.195CC..Hα-helixtrans-64.7-49.9178.8-67.4168.9000109.3L113 M127 Q131 I132 R137 G138 I139 L163 D167 P169 M235L113-I135 HydrophobicContact CD1-CD1 4.47Å; L113-I135 HydrophobicContact CD1-CG2 4.49Å; M127-I135 HydrophobicContact CE-CD1 4.16Å; M127-I135 HydrophobicContact SD-CD1 3.97Å; Q131-I135 HydrophobicContact CG-CD1 4.01Å; Q131-I135 WeakPolarHBondContact O-CG1 3.04Å; Q131-I135 PolarHBondContact O-N 2.81Å; I132-I135 PolarHBondContact O-N 2.9Å; I135-R137 VanDerWaalsContact C-N 3.32Å; I135-R137 PolarHBondContact O-N 2.95Å; I135-G138 PolarHBondContact O-N 2.88Å; I135-I139 HydrophobicContact CG2-CD1 3.9Å; I135-I139 HydrophobicContact CG2-CG1 4.44Å; I135-I139 WeakPolarHBondContact O-CG1 3.4Å; I135-I139 PolarHBondContact O-N 2.85Å; I135-L163 HydrophobicContact CD1-CD1 4.05Å; I135-L163 HydrophobicContact CD1-CD2 4.19Å; I135-L163 HydrophobicContact CG1-CD2 4.16Å; I135-L163 HydrophobicContact CG2-CD2 4.06Å; I135-D167 HydrophobicContact CD1-CB 4.45Å; I135-D167 HydrophobicContact CG1-CB 4.3Å; I135-P169 HydrophobicContact CG2-CB 4.24Å; I135-P169 WeakPolarHBondContact O-CG 3.4Å; I135-M235 HydrophobicContact CB-SD 4.16Å; I135-M235 HydrophobicContact CG2-SD 3.74Å
136F98.8Very high98.2Very high0 Ų033.6 Ų33.60%017%0.174CC..Hα-helixtrans-59.8-40.7-177.6-165.2-115.1000112.6I132 G138 I139 C140 L228 L232 M235 L275 I279 V293 V297I132-F136 WeakPolarHBondContact O-CB 3.41Å; I132-F136 PolarHBondContact O-N 2.92Å; F136-G138 PolarHBondContact O-N 2.92Å; F136-I139 PolarHBondContact O-N 3.46Å; F136-C140 PolarHBondContact O-N 3.2Å; F136-C140 PolarHBondContact O-SG 2.74Å; F136-L228 HydrophobicContact CD2-CD1 3.94Å; F136-L228 HydrophobicContact CE2-CD1 3.26Å; F136-L228 HydrophobicContact CE2-CD2 4.24Å; F136-L228 HydrophobicContact CE2-CG 3.47Å; F136-L228 VanDerWaalsContact CE2-CG 3.47Å; F136-L228 HydrophobicContact CZ-CD1 3.81Å; F136-L228 HydrophobicContact CZ-CD2 3.9Å; F136-L228 HydrophobicContact CZ-CG 3.56Å; F136-L232 HydrophobicContact CD2-CB 4.12Å; F136-L232 HydrophobicContact CD2-CD1 4.24Å; F136-L232 HydrophobicContact CE1-CD2 4.2Å; F136-L232 HydrophobicContact CE2-CB 3.62Å; F136-L232 HydrophobicContact CE2-CD1 4.41Å; F136-L232 HydrophobicContact CE2-CD2 4.33Å; F136-L232 HydrophobicContact CE2-CG 4.33Å; F136-L232 HydrophobicContact CG-CD1 4.34Å; F136-L232 HydrophobicContact CZ-CB 4.06Å; F136-L232 HydrophobicContact CZ-CD2 3.98Å; F136-L232 HydrophobicContact CZ-CG 4.47Å; F136-M235 HydrophobicContact CB-CE 3.92Å; F136-M235 HydrophobicContact CD2-CE 3.66Å; F136-M235 HydrophobicContact CG-CE 4.19Å; F136-L275 HydrophobicContact CD1-CD2 4.41Å; F136-L275 HydrophobicContact CE1-CD2 4.02Å; F136-I279 HydrophobicContact CZ-CD1 3.81Å; F136-V293 HydrophobicContact CE1-CG1 3.66Å; F136-V293 HydrophobicContact CZ-CG1 4.08Å; F136-V297 HydrophobicContact CD1-CG2 3.51Å; F136-V297 HydrophobicContact CE1-CG2 3.84Å
137R98.8Very high98.4Very high117 Ų11731.6 Ų31.644%0.44216%0.158SC..Hα-helixtrans-58.2-44.6173.3-177.9176.4164.6-172.5-4.2112.5L133 I135 C140 S141 L294 V297L133-R137 WeakPolarHBondContact O-CB 3.19Å; L133-R137 PolarHBondContact O-N 3.24Å; I135-R137 VanDerWaalsContact C-N 3.32Å; I135-R137 PolarHBondContact O-N 2.95Å; R137-C140 PolarHBondContact O-N 3.39Å; R137-S141 PolarHBondContact O-N 3.09Å; R137-L294 HydrophobicContact CG-CD2 4.26Å; R137-V297 HydrophobicContact CB-CG1 3.77Å; R137-V297 HydrophobicContact CG-CG1 4.42Å
138G98.8Very high98.4Very high8 Ų836.7 Ų36.78%0.08219%0.185CC..Hα-helixtrans-65.8-40.4179.500000112.5N83 K134 I135 F136 C140 S141 G142 P169N83-G138 WeakPolarHBondContact CB-O 3.41Å; N83-G138 PolarHBondContact OD1-O 3.02Å; K134-G138 PolarHBondContact O-N 2.96Å; I135-G138 PolarHBondContact O-N 2.88Å; F136-G138 PolarHBondContact O-N 2.92Å; G138-C140 VanDerWaalsContact C-N 3.35Å; G138-S141 WeakPolarHBondContact O-CB 3.24Å; G138-S141 PolarHBondContact O-N 3.24Å; G138-G142 PolarHBondContact O-N 3.17Å; G138-P169 VanDerWaalsContact C-CG 3.46Å; G138-P169 VanDerWaalsContact CA-CG 3.48Å
139I98.9Very high98.5Very high0 Ų038.5 Ų38.50%019%0.186CC..Hα-helixtrans-58.6-49173-64.6171.5000109.6L113 I135 F136 S141 G142 L143 L156 V161 P169 L171 L228 V231L113-I139 HydrophobicContact CD2-CD1 4.46Å; I135-I139 HydrophobicContact CG2-CD1 3.9Å; I135-I139 HydrophobicContact CG2-CG1 4.44Å; I135-I139 WeakPolarHBondContact O-CG1 3.4Å; I135-I139 PolarHBondContact O-N 2.85Å; F136-I139 PolarHBondContact O-N 3.46Å; I139-S141 VanDerWaalsContact C-N 3.31Å; I139-S141 PolarHBondContact O-N 3.27Å; I139-G142 PolarHBondContact O-N 2.93Å; I139-L143 HydrophobicContact CG2-CD1 4.26Å; I139-L143 PolarHBondContact O-N 3.41Å; I139-L156 HydrophobicContact CG2-CD1 4.39Å; I139-L156 HydrophobicContact CG2-CD2 4.41Å; I139-V161 HydrophobicContact CD1-CG1 4.02Å; I139-V161 HydrophobicContact CD1-CG2 4.16Å; I139-V161 HydrophobicContact CG1-CG1 4.05Å; I139-V161 HydrophobicContact CG1-CG2 4.42Å; I139-P169 HydrophobicContact CG1-CB 3.72Å; I139-P169 HydrophobicContact CG1-CG 3.97Å; I139-L171 HydrophobicContact CG2-CD2 4.1Å; I139-L228 HydrophobicContact CB-CD1 4.37Å; I139-L228 HydrophobicContact CG2-CD1 3.45Å; I139-L228 VanDerWaalsContact CG2-CD1 3.45Å; I139-V231 HydrophobicContact CD1-CG1 3.95Å
140C98.9Very high98.5Very high0 Ų037.8 Ų37.80%019%0.191CC..Hα-helixtrans-60.8-38.1177.8-64.40000112.4F136 R137 G138 L143 K144 V290 L294F136-C140 PolarHBondContact O-N 3.2Å; F136-C140 PolarHBondContact O-SG 2.74Å; R137-C140 PolarHBondContact O-N 3.39Å; G138-C140 VanDerWaalsContact C-N 3.35Å; C140-L143 PolarHBondContact O-N 2.97Å; C140-K144 VanDerWaalsContact O-CB 3.3Å; C140-K144 WeakPolarHBondContact O-CB 3.31Å; C140-K144 PolarHBondContact O-N 3.21Å; C140-V290 HydrophobicContact CB-CG2 4.06Å; C140-V290 WeakPolarHBondContact O-CG2 3.46Å; C140-L294 HydrophobicContact CB-CD1 4.48Å; C140-L294 HydrophobicContact CB-CD2 3.39Å; C140-L294 HydrophobicContact CB-CG 3.68Å
141S98.8Very high98.6Very high40 Ų4033.7 Ų33.728%0.2817%0.167SC..Hα-helixtrans-64.7-41.2176.5-164.20000112.2H81 R137 G138 I139 T145H81-S141 PolarHBondContact CE1-OG 3.43Å; H81-S141 PolarHBondContact NE2-OG 3.13Å; R137-S141 PolarHBondContact O-N 3.09Å; G138-S141 WeakPolarHBondContact O-CB 3.24Å; G138-S141 PolarHBondContact O-N 3.24Å; I139-S141 VanDerWaalsContact C-N 3.31Å; I139-S141 PolarHBondContact O-N 3.27Å; S141-T145 PolarHBondContact O-N 3.02Å; S141-T145 PolarHBondContact O-OG1 3.37Å; S141-T145 VanDerWaalsContact O-OG1 3.11Å
142G98.8Very high98.6Very high0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-62.5-50.8172.900000111.9G138 I139 K144 T145 I146G138-G142 PolarHBondContact O-N 3.17Å; I139-G142 PolarHBondContact O-N 2.93Å; G142-K144 VanDerWaalsContact C-N 3.34Å; G142-K144 PolarHBondContact O-N 3.37Å; G142-T145 WeakPolarHBondContact O-CB 3.44Å; G142-T145 PolarHBondContact O-N 3.17Å; G142-T145 VanDerWaalsContact O-N 3.14Å; G142-I146 PolarHBondContact O-N 2.81Å; G142-I146 VanDerWaalsContact O-N 3.15Å
143L98.8Very high98.6Very high0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-59.3-42.5177.3-75.5176.4000112.6I139 C140 T145 I146 H147 H153 L156 L171 D224 L228 V290I139-L143 HydrophobicContact CG2-CD1 4.26Å; I139-L143 PolarHBondContact O-N 3.41Å; C140-L143 PolarHBondContact O-N 2.97Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 3.16Å; L143-I146 HydrophobicContact CD2-CD1 4.41Å; L143-I146 WeakPolarHBondContact O-CA 3.39Å; L143-I146 WeakPolarHBondContact O-CB 3.42Å; L143-I146 PolarHBondContact O-N 3.37Å; L143-H147 WeakPolarHBondContact O-CB 3.5Å; L143-H147 PolarHBondContact O-CD2 2.71Å; L143-H147 VanDerWaalsContact O-CG 3.23Å; L143-H147 PolarHBondContact O-N 2.88Å; L143-H153 HydrophobicContact CD2-CB 4.02Å; L143-L156 HydrophobicContact CD1-CD2 3.68Å; L143-L156 HydrophobicContact CD2-CD2 4.32Å; L143-L156 HydrophobicContact CG-CD2 4.42Å; L143-L171 HydrophobicContact CD2-CD1 4.14Å; L143-L171 HydrophobicContact CG-CD1 4.11Å; L143-D224 HydrophobicContact CD2-CB 4.26Å; L143-L228 HydrophobicContact CD1-CB 4.26Å; L143-L228 HydrophobicContact CD1-CD1 3.95Å; L143-L228 HydrophobicContact CD1-CD2 4.06Å; L143-L228 HydrophobicContact CD1-CG 4.32Å; L143-V290 HydrophobicContact CB-CG2 4.07Å
144K98.7Very high98.6Very high72 Ų7231.6 Ų31.631%0.31316%0.157SC..Hα-helixtrans-56.1-44.6175.2176.6166172.646.60111.8C140 G142 I146 H147 D148 V290 L294C140-K144 VanDerWaalsContact O-CB 3.3Å; C140-K144 WeakPolarHBondContact O-CB 3.31Å; C140-K144 PolarHBondContact O-N 3.21Å; G142-K144 VanDerWaalsContact C-N 3.34Å; G142-K144 PolarHBondContact O-N 3.37Å; K144-I146 VanDerWaalsContact C-N 3.27Å; K144-I146 PolarHBondContact O-N 3.17Å; K144-H147 PolarHBondContact O-N 3.29Å; K144-D148 WeakPolarHBondContact CE-OD2 3.14Å; K144-D148 WeakPolarHBondContact CG-OD2 3.29Å; K144-D148 IonicContact NZ-OD1 3.28Å; K144-D148 PolarHBondContact NZ-OD1 3.25Å; K144-D148 IonicContact NZ-OD2 3.16Å; K144-D148 PolarHBondContact NZ-OD2 2.85Å; K144-D148 VanDerWaalsContact O-CB 3.28Å; K144-D148 WeakPolarHBondContact O-CB 3.09Å; K144-D148 PolarHBondContact O-N 3.18Å; K144-V290 HydrophobicContact CB-CG1 3.82Å; K144-V290 HydrophobicContact CB-CG2 4.28Å; K144-V290 HydrophobicContact CG-CG1 4.29Å; K144-L294 HydrophobicContact CB-CD1 4.04Å; K144-L294 HydrophobicContact CD-CD1 3.61Å; K144-L294 HydrophobicContact CG-CD1 4.43Å
145T98.6Very high98.6Very high34 Ų3427.2 Ų27.221%0.20914%0.139CC..Hα-helixtrans-61.5-37177-59.50000112F79 H81 I84 S141 G142 L143F79-T145 HydrophobicContact CD1-CG2 4.11Å; H81-T145 HydrophobicContact CB-CG2 4.22Å; H81-T145 PolarHBondContact CD2-OG1 3.02Å; H81-T145 VanDerWaalsContact CD2-OG1 3.23Å; I84-T145 HydrophobicContact CD1-CG2 4.07Å; S141-T145 PolarHBondContact O-N 3.02Å; S141-T145 PolarHBondContact O-OG1 3.37Å; S141-T145 VanDerWaalsContact O-OG1 3.11Å; G142-T145 WeakPolarHBondContact O-CB 3.44Å; G142-T145 PolarHBondContact O-N 3.17Å; G142-T145 VanDerWaalsContact O-N 3.14Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 3.16Å
146I98.6Very high98.6Very high0 Ų027.2 Ų27.20%014%0.139CC..Hα-helixtrans-68.4-49.3176.6-65.8155.9000110.7F79 I84 G142 L143 K144 K149 Y151 L171 M177F79-I146 HydrophobicContact CD1-CG1 4.46Å; F79-I146 HydrophobicContact CE1-CB 4.35Å; F79-I146 HydrophobicContact CE1-CG1 4.07Å; F79-I146 HydrophobicContact CE2-CG1 4.32Å; F79-I146 HydrophobicContact CZ-CB 4.31Å; F79-I146 HydrophobicContact CZ-CG1 4.02Å; F79-I146 HydrophobicContact CZ-CG2 4.25Å; I84-I146 HydrophobicContact CD1-CD1 4.05Å; I84-I146 HydrophobicContact CD1-CG1 3.76Å; I84-I146 HydrophobicContact CG1-CD1 4.42Å; G142-I146 PolarHBondContact O-N 2.81Å; G142-I146 VanDerWaalsContact O-N 3.15Å; L143-I146 HydrophobicContact CD2-CD1 4.41Å; L143-I146 WeakPolarHBondContact O-CA 3.39Å; L143-I146 WeakPolarHBondContact O-CB 3.42Å; L143-I146 PolarHBondContact O-N 3.37Å; K144-I146 VanDerWaalsContact C-N 3.27Å; K144-I146 PolarHBondContact O-N 3.17Å; I146-K149 PolarHBondContact O-N 2.89Å; I146-Y151 CarbonylContact C-O 3.59Å; I146-Y151 WeakPolarHBondContact CG2-O 3.35Å; I146-Y151 PolarHBondContact O-N 2.9Å; I146-L171 HydrophobicContact CD1-CD1 3.84Å; I146-M177 HydrophobicContact CD1-CE 3.4Å; I146-M177 HydrophobicContact CG1-CE 3.89Å; I146-M177 HydrophobicContact CG2-CE 4.04Å; I146-M177 HydrophobicContact CG2-SD 4.45Å
147H98.7Very high98.6Very high19 Ų1928.8 Ų28.89%0.08815%0.145CC..Hα-helixtrans-64.7-42.2-178.2-64.8-179.6000112L143 K144 K149 G150 Y151 E221 D224 V290L143-H147 WeakPolarHBondContact O-CB 3.5Å; L143-H147 PolarHBondContact O-CD2 2.71Å; L143-H147 VanDerWaalsContact O-CG 3.23Å; L143-H147 PolarHBondContact O-N 2.88Å; K144-H147 PolarHBondContact O-N 3.29Å; H147-K149 PolarHBondContact O-N 3.43Å; H147-K149 VanDerWaalsContact O-N 3.16Å; H147-G150 WeakPolarHBondContact O-CA 3.27Å; H147-G150 PolarHBondContact O-N 3.06Å; H147-Y151 WeakPolarHBondContact CA-O 3.49Å; H147-Y151 PolarHBondContact CD2-O 3.19Å; H147-E221 HydrophobicContact CB-CG 4.16Å; H147-D224 IonicContact CD2-OD2 2.97Å; H147-D224 IonicContact CE1-OD2 3.97Å; H147-D224 IonicContact NE2-OD2 3.21Å; H147-D224 PolarHBondContact NE2-OD2 3.16Å; H147-V290 HydrophobicContact CB-CG1 4.41Å; H147-V290 WeakPolarHBondContact ND1-CG1 3.43Å
148D98.3Very high98.5Very high107 Ų10723.2 Ų23.257%0.57213%0.125SC*.Hα-helixtrans-62.2-23.1177.4-71.6-12.4000112.4K144K144-D148 WeakPolarHBondContact CE-OD2 3.14Å; K144-D148 WeakPolarHBondContact CG-OD2 3.29Å; K144-D148 IonicContact NZ-OD1 3.28Å; K144-D148 PolarHBondContact NZ-OD1 3.25Å; K144-D148 IonicContact NZ-OD2 3.16Å; K144-D148 PolarHBondContact NZ-OD2 2.85Å; K144-D148 VanDerWaalsContact O-CB 3.28Å; K144-D148 WeakPolarHBondContact O-CB 3.09Å; K144-D148 PolarHBondContact O-N 3.18Å
149K98.1Very high98.5Very high104 Ų10425.5 Ų25.545%0.45214%0.137SC..THydrogen-bonded Turntrans-880.7172.4-68.9-156.2177-157.80114M78 F79 I146 H147 Y151M78-K149 HydrophobicContact CG-CD 3.74Å; M78-K149 PolarHBondContact O-NZ 3.04Å; M78-K149 HydrophobicContact SD-CB 4.49Å; M78-K149 HydrophobicContact SD-CD 4.08Å; F79-K149 HydrophobicContact CD1-CD 3.97Å; F79-K149 HydrophobicContact CE1-CB 4.03Å; F79-K149 HydrophobicContact CE1-CD 3.67Å; F79-K149 HydrophobicContact CE1-CG 4.07Å; I146-K149 PolarHBondContact O-N 2.89Å; H147-K149 PolarHBondContact O-N 3.43Å; H147-K149 VanDerWaalsContact O-N 3.16Å; K149-Y151 HydrophobicContact CB-CD2 4.23Å; K149-Y151 VanDerWaalsContact O-CD2 3.31Å; K149-Y151 WeakPolarHBondContact O-CD2 3.3Å
150G98.1Very high98.5Very high29 Ų2926 Ų2630%0.29914%0.14SC..THydrogen-bonded Turntrans78.827.8179.400000114.1H147 A180H147-G150 WeakPolarHBondContact O-CA 3.27Å; H147-G150 PolarHBondContact O-N 3.06Å; G150-A180 PolarHBondContact O-N 2.97Å
151Y98.6Very high98.5Very high27 Ų2726 Ų2611%0.10614%0.14CC..EExtended strand (participates in β ladder)trans-118.5162.1175.2-71.2-97.1000110.9M75 M78 I146 H147 K149 N178M75-Y151 HydrophobicContact CE-CD1 4.37Å; M75-Y151 HydrophobicContact CE-CE1 3.72Å; M75-Y151 HydrophobicContact SD-CD1 3.81Å; M75-Y151 HydrophobicContact SD-CE1 3.78Å; M78-Y151 HydrophobicContact CE-CE1 4.48Å; M78-Y151 HydrophobicContact CE-CE2 3.67Å; M78-Y151 WeakPolarHBondContact CE-OH 3.47Å; M78-Y151 HydrophobicContact SD-CD2 3.74Å; M78-Y151 HydrophobicContact SD-CE2 3.35Å; M78-Y151 WeakPolarHBondContact SD-CE2 3.26Å; I146-Y151 CarbonylContact C-O 3.59Å; I146-Y151 WeakPolarHBondContact CG2-O 3.35Å; I146-Y151 PolarHBondContact O-N 2.9Å; H147-Y151 WeakPolarHBondContact CA-O 3.49Å; H147-Y151 PolarHBondContact CD2-O 3.19Å; K149-Y151 HydrophobicContact CB-CD2 4.23Å; K149-Y151 VanDerWaalsContact O-CD2 3.31Å; K149-Y151 WeakPolarHBondContact O-CD2 3.3Å; Y151-N178 CarbonylContact C-O 3.53Å; Y151-N178 VanDerWaalsContact CA-O 3.28Å; Y151-N178 WeakPolarHBondContact CA-O 3.48Å; Y151-N178 WeakPolarHBondContact CD1-O 3.48Å
152A98.6Very high98.5Very high0 Ų024.9 Ų24.90%013%0.131CC..EExtended strand (participates in β ladder)trans-127.1148.2170.600000109.7R154 M177 N178 A180 E221 D224A152-R154 HydrophobicContact CB-CG 4.06Å; A152-M177 WeakPolarHBondContact O-CA 3.42Å; A152-M177 WeakPolarHBondContact O-CG 3.42Å; A152-N178 PolarHBondContact N-O 3.27Å; A152-N178 PolarHBondContact O-N 3.02Å; A152-A180 HydrophobicContact CB-CB 4.45Å; A152-E221 HydrophobicContact CB-CB 4.3Å; A152-D224 WeakPolarHBondContact CA-OD2 3.46Å
153H98.6Very high98.4Very high0 Ų024.9 Ų24.90%013%0.131CC..  trans-70-42.3179.6-167.5-65.8000112.6L143 D155 L156 M172 M177 D224L143-H153 HydrophobicContact CD2-CB 4.02Å; H153-D155 PolarHBondContact ND1-N 3.45Å; H153-D155 PolarHBondContact O-N 3.46Å; H153-L156 PolarHBondContact ND1-N 3.37Å; H153-M172 PolarHBondContact NE2-O 3.39Å; H153-M177 HydrophobicContact CB-CE 4.04Å; H153-M177 VanDerWaalsContact CD2-CE 3.44Å; H153-M177 WeakPolarHBondContact CD2-CE 3.42Å; H153-D224 PolarHBondContact N-OD1 3.33Å; H153-D224 PolarHBondContact N-OD2 3.19Å
154R98.1Very high98.3Very high5 Ų525.9 Ų25.92%0.01914%0.136CC..SBendtrans66.8-20.4175.4-54.8-70.5-164.3-160.3-1.7117.2A152 N178 R179 A180 W196 C201 D220 T223 D224A152-R154 HydrophobicContact CB-CG 4.06Å; R154-N178 PolarHBondContact NE-OD1 3.49Å; R154-N178 PolarHBondContact NH2-OD1 3.28Å; R154-R179 PolarHBondContact NH2-O 3.23Å; R154-A180 PolarHBondContact NH2-O 2.81Å; R154-W196 HydrophobicContact CB-CH2 3.76Å; R154-W196 HydrophobicContact CG-CH2 3.71Å; R154-W196 HydrophobicContact CG-CZ3 4.44Å; R154-C201 PolarHBondContact O-SG 2.82Å; R154-D220 PolarHBondContact NH1-O 2.89Å; R154-T223 VanDerWaalsContact NH1-CG2 3.3Å; R154-T223 PolarHBondContact NH1-OG1 3.04Å; R154-D224 PolarHBondContact N-OD1 3.02Å
155D98Very high98Very high9 Ų927.1 Ų27.15%0.04814%0.143CC..  trans-131.247.6173.6-161.640.1000112.9H153 K157 N160 T202H153-D155 PolarHBondContact ND1-N 3.45Å; H153-D155 PolarHBondContact O-N 3.46Å; D155-K157 PolarHBondContact O-N 3.22Å; D155-K157 IonicContact OD1-NZ 3.7Å; D155-K157 WeakPolarHBondContact OD2-CE 3.33Å; D155-K157 IonicContact OD2-NZ 2.66Å; D155-K157 PolarHBondContact OD2-NZ 3.09Å; D155-N160 PolarHBondContact O-ND2 3.37Å; D155-N160 PolarHBondContact OD2-ND2 3.16Å; D155-T202 VanDerWaalsContact OD1-CB 3.3Å; D155-T202 WeakPolarHBondContact OD1-CB 3.36Å; D155-T202 PolarHBondContact OD1-N 3.39Å; D155-T202 PolarHBondContact OD1-OG1 2.92Å
156L98.8Very high97.8Very high0 Ų031 Ų310%016%0.159CC..  trans-74.8124.7176.3-178.671.3000110.5I139 L143 H153 V161 L171 S227 L228 V231I139-L156 HydrophobicContact CG2-CD1 4.39Å; I139-L156 HydrophobicContact CG2-CD2 4.41Å; L143-L156 HydrophobicContact CD1-CD2 3.68Å; L143-L156 HydrophobicContact CD2-CD2 4.32Å; L143-L156 HydrophobicContact CG-CD2 4.42Å; H153-L156 PolarHBondContact ND1-N 3.37Å; L156-V161 HydrophobicContact CD1-CG2 4.18Å; L156-L171 HydrophobicContact CD1-CD2 3.69Å; L156-S227 WeakPolarHBondContact O-CB 3.18Å; L156-L228 HydrophobicContact CD2-CB 3.89Å; L156-L228 HydrophobicContact CD2-CD1 4.16Å; L156-V231 HydrophobicContact CG-CG2 4.19Å
157K98.6Very high97.6Very high33 Ų3332.5 Ų32.514%0.14317%0.166CC..  trans-161.7162.9-179.360.3-166.8-174.7-154.40109.9D155 T159 N160 T202 Y205D155-K157 PolarHBondContact O-N 3.22Å; D155-K157 IonicContact OD1-NZ 3.7Å; D155-K157 WeakPolarHBondContact OD2-CE 3.33Å; D155-K157 IonicContact OD2-NZ 2.66Å; D155-K157 PolarHBondContact OD2-NZ 3.09Å; K157-T159 WeakPolarHBondContact CE-OG1 3.39Å; K157-T159 WeakPolarHBondContact CG-OG1 3.42Å; K157-T159 PolarHBondContact O-N 3.35Å; K157-T159 VanDerWaalsContact O-N 3.11Å; K157-N160 WeakPolarHBondContact CE-ND2 3.19Å; K157-N160 HydrophobicContact CG-CB 4.07Å; K157-N160 PolarHBondContact O-N 3.31Å; K157-T202 HydrophobicContact CD-CG2 4.25Å; K157-T202 VanDerWaalsContact CD-OG1 3.29Å; K157-T202 WeakPolarHBondContact CD-OG1 3.46Å; K157-T202 PolarHBondContact NZ-OG1 2.8Å; K157-Y205 HydrophobicContact CB-CD1 3.86Å; K157-Y205 HydrophobicContact CB-CD2 3.92Å; K157-Y205 HydrophobicContact CB-CE1 4.07Å; K157-Y205 HydrophobicContact CB-CE2 4.11Å; K157-Y205 HydrophobicContact CB-CG 3.81Å
158P98.6Very high97.6Very high1 Ų137 Ų371%0.00618%0.183CC..G310 helixtrans-60.3-24.5-176.5-25.735.3000114.7L113 W114 L117 N160 Y205 V231 C234L113-P158 HydrophobicContact CB-CB 4.44Å; L113-P158 WeakPolarHBondContact CB-O 3.47Å; L113-P158 HydrophobicContact CD2-CB 4.32Å; L113-P158 HydrophobicContact CG-CB 4.28Å; L113-P158 PolarHBondContact N-O 2.92Å; W114-P158 HydrophobicContact CB-CB 3.95Å; W114-P158 HydrophobicContact CE3-CB 4.06Å; W114-P158 HydrophobicContact CE3-CG 4.31Å; W114-P158 PolarHBondContact N-O 3.15Å; W114-P158 VanDerWaalsContact N-O 3.11Å; L117-P158 HydrophobicContact CD1-CB 4.38Å; P158-N160 VanDerWaalsContact C-N 3.32Å; P158-Y205 VanDerWaalsContact CD-CZ 3.45Å; P158-Y205 WeakPolarHBondContact CD-OH 3.29Å; P158-Y205 HydrophobicContact CG-CE1 4.14Å; P158-V231 HydrophobicContact CG-CG2 4.28Å; P158-C234 HydrophobicContact CG-CB 3.77Å
159T97.6Very high97.6Very high55 Ų5532 Ų3234%0.33716%0.156SC..G310 helixtrans-76-19.6174.349.50000113.4T112 W114 K157T112-T159 WeakPolarHBondContact CG2-O 3.16Å; W114-T159 HydrophobicContact CB-CG2 3.61Å; W114-T159 HydrophobicContact CG-CG2 3.81Å; K157-T159 WeakPolarHBondContact CE-OG1 3.39Å; K157-T159 WeakPolarHBondContact CG-OG1 3.42Å; K157-T159 PolarHBondContact O-N 3.35Å; K157-T159 VanDerWaalsContact O-N 3.11Å
160N98.5Very high97.6Very high11 Ų1127.8 Ų27.86%0.05914%0.139CC..G310 helixtrans-98.515.5176-72.6-3.3000112.8D155 K157 P158 M172 D173D155-N160 PolarHBondContact O-ND2 3.37Å; D155-N160 PolarHBondContact OD2-ND2 3.16Å; K157-N160 WeakPolarHBondContact CE-ND2 3.19Å; K157-N160 HydrophobicContact CG-CB 4.07Å; K157-N160 PolarHBondContact O-N 3.31Å; P158-N160 VanDerWaalsContact C-N 3.32Å; N160-M172 HydrophobicContact CB-CG 4.4Å; N160-M172 WeakPolarHBondContact O-CG 3.49Å; N160-M172 PolarHBondContact O-N 3.37Å; N160-D173 PolarHBondContact ND2-OD2 2.8Å
161V98.8Very high97.6Very high0 Ų026.4 Ų26.40%013%0.125CC..EExtended strand (participates in β ladder)trans-119.6113.5171.5-177.70000108T112 L113 I139 L156 P169 L171T112-V161 CarbonylContact C-O 3.58Å; T112-V161 VanDerWaalsContact CA-O 3.3Å; T112-V161 WeakPolarHBondContact CA-O 3.19Å; L113-V161 HydrophobicContact CB-CB 4.03Å; L113-V161 HydrophobicContact CB-CG1 4.22Å; L113-V161 HydrophobicContact CD2-CB 4.37Å; L113-V161 HydrophobicContact CD2-CG1 4.4Å; L113-V161 PolarHBondContact N-O 3.19Å; I139-V161 HydrophobicContact CD1-CG1 4.02Å; I139-V161 HydrophobicContact CD1-CG2 4.16Å; I139-V161 HydrophobicContact CG1-CG1 4.05Å; I139-V161 HydrophobicContact CG1-CG2 4.42Å; L156-V161 HydrophobicContact CD1-CG2 4.18Å; V161-P169 HydrophobicContact CG1-CB 3.69Å; V161-L171 HydrophobicContact CG2-CD2 3.99Å
162L98.5Very high97.6Very high17 Ų1727.4 Ų27.49%0.08913%0.131CC..EExtended strand (participates in β ladder)trans-85.7152.8170.9-62.2167.6000110.1L85 V108 G111 T112 P169 V170 M172L85-L162 HydrophobicContact CD1-CD1 4.25Å; L85-L162 HydrophobicContact CD2-CD1 4.29Å; V108-L162 HydrophobicContact CB-CB 4.01Å; V108-L162 HydrophobicContact CB-CD1 3.99Å; V108-L162 HydrophobicContact CB-CG 4.42Å; V108-L162 HydrophobicContact CG1-CB 3.98Å; V108-L162 HydrophobicContact CG2-CB 4.2Å; V108-L162 HydrophobicContact CG2-CD1 3.75Å; G111-L162 WeakPolarHBondContact O-CA 3.4Å; T112-L162 HydrophobicContact CG2-CD2 4.09Å; L162-P169 CarbonylContact O-C 3.55Å; L162-P169 VanDerWaalsContact O-CA 3.26Å; L162-P169 WeakPolarHBondContact O-CA 3.46Å; L162-V170 HydrophobicContact CB-CB 4.3Å; L162-V170 PolarHBondContact N-O 3.21Å; L162-V170 PolarHBondContact O-N 2.98Å; L162-M172 HydrophobicContact CD1-CB 4.22Å; L162-M172 HydrophobicContact CD1-CG 4.36Å; L162-M172 HydrophobicContact CD1-SD 3.69Å; L162-M172 HydrophobicContact CD2-SD 3.71Å; L162-M172 HydrophobicContact CG-CG 4.21Å; L162-M172 HydrophobicContact CG-SD 3.53Å; L162-M172 VanDerWaalsContact CG-SD 3.53Å
163L98.2Very high97.3Very high0 Ų029.3 Ų29.30%014%0.141CC..EExtended strand (participates in β ladder)trans-119.5131.5171.6-62.8-178.1000110.1V108 K110 G111 L113 V116 I135 P169V108-L163 VanDerWaalsContact CG1-C 3.46Å; V108-L163 WeakPolarHBondContact CG1-O 3.35Å; K110-L163 VanDerWaalsContact CB-O 3.3Å; K110-L163 WeakPolarHBondContact CB-O 3.46Å; G111-L163 PolarHBondContact O-N 2.87Å; L113-L163 HydrophobicContact CB-CG 4.46Å; L113-L163 HydrophobicContact CD1-CD1 3.96Å; V116-L163 HydrophobicContact CB-CD1 4.35Å; V116-L163 HydrophobicContact CG2-CD1 3.99Å; I135-L163 HydrophobicContact CD1-CD1 4.05Å; I135-L163 HydrophobicContact CD1-CD2 4.19Å; I135-L163 HydrophobicContact CG1-CD2 4.16Å; I135-L163 HydrophobicContact CG2-CD2 4.06Å; L163-P169 HydrophobicContact CD2-CB 4.09Å
164D95.3Very high97.1Very high20 Ų2029.4 Ų29.411%0.10714%0.141CC..  trans-85.2-175.3171.170.112.7000112.9V108 K110 E166 D167 R168V108-D164 HydrophobicContact CG1-CB 4.21Å; K110-D164 WeakPolarHBondContact CD-O 3.22Å; K110-D164 WeakPolarHBondContact CE-O 3.49Å; K110-D164 PolarHBondContact NZ-O 2.81Å; D164-E166 PolarHBondContact O-N 2.83Å; D164-E166 VanDerWaalsContact O-N 3.17Å; D164-E166 PolarHBondContact OD1-N 2.73Å; D164-D167 PolarHBondContact O-N 3.47Å; D164-D167 PolarHBondContact OD1-N 2.99Å; D164-R168 PolarHBondContact N-O 3.34Å; D164-R168 VanDerWaalsContact N-O 3.16Å; D164-R168 WeakPolarHBondContact OD1-CB 3.31Å; D164-R168 PolarHBondContact OD1-N 2.77Å; D164-R168 WeakPolarHBondContact OD2-CB 3.17Å; D164-R168 IonicContact OD2-CZ 3.67Å; D164-R168 IonicContact OD2-NE 3.12Å; D164-R168 PolarHBondContact OD2-NE 2.76Å; D164-R168 IonicContact OD2-NH2 2.7Å; D164-R168 PolarHBondContact OD2-NH2 3.29Å
165E92.9Very high96.9Very high98 Ų9830.3 Ų30.346%0.45815%0.152SC..THydrogen-bonded Turntrans-62.9-22.7-176.5-61.5-55.6153.900113.5R109 K110R109-E165 WeakPolarHBondContact CB-OE1 3.22Å; R109-E165 WeakPolarHBondContact CD-OE1 3.43Å; K110-E165 WeakPolarHBondContact CE-OE2 3.35Å; K110-E165 PolarHBondContact NZ-O 3.32Å
166E94.3Very high96.7Very high117 Ų11730.5 Ų30.555%0.54715%0.154SC..THydrogen-bonded Turntrans-97.910.9176.9-63.173.9-150.600113.3K134 D164 R168K134-E166 WeakPolarHBondContact CE-O 3.4Å; K134-E166 PolarHBondContact NZ-O 2.86Å; D164-E166 PolarHBondContact O-N 2.83Å; D164-E166 VanDerWaalsContact O-N 3.17Å; D164-E166 PolarHBondContact OD1-N 2.73Å; E166-R168 PolarHBondContact O-N 3.35Å
167D94.7Very high96.6Very high30 Ų3031 Ų3116%0.1616%0.157CC..  trans59.226-174.3-58.7-29.8000113.3K110 Q131 I135 D164K110-D167 IonicContact NZ-OD1 2.63Å; K110-D167 PolarHBondContact NZ-OD1 3.06Å; Q131-D167 PolarHBondContact NE2-OD2 3.42Å; I135-D167 HydrophobicContact CD1-CB 4.45Å; I135-D167 HydrophobicContact CG1-CB 4.3Å; D164-D167 PolarHBondContact O-N 3.47Å; D164-D167 PolarHBondContact OD1-N 2.99Å
168R98Very high96.4Very high114 Ų11431.1 Ų31.143%0.4316%0.159SC..  trans-76.8126.4167.5167.8-178.454.4-158.6-8.7107.7N83 D164 E166N83-R168 WeakPolarHBondContact ND2-CG 3.15Å; D164-R168 PolarHBondContact N-O 3.34Å; D164-R168 VanDerWaalsContact N-O 3.16Å; D164-R168 WeakPolarHBondContact OD1-CB 3.31Å; D164-R168 PolarHBondContact OD1-N 2.77Å; D164-R168 WeakPolarHBondContact OD2-CB 3.17Å; D164-R168 IonicContact OD2-CZ 3.67Å; D164-R168 IonicContact OD2-NE 3.12Å; D164-R168 PolarHBondContact OD2-NE 2.76Å; D164-R168 IonicContact OD2-NH2 2.7Å; D164-R168 PolarHBondContact OD2-NH2 3.29Å; E166-R168 PolarHBondContact O-N 3.35Å
169P98.6Very high96.4Very high3 Ų338.1 Ų38.12%0.01919%0.186CC..EExtended strand (participates in β ladder)trans-77.4146.8179.534-39.2000111.3N83 I135 G138 I139 V161 L162 L163N83-P169 VanDerWaalsContact CA-O 3.3Å; N83-P169 WeakPolarHBondContact CA-O 3.41Å; N83-P169 WeakPolarHBondContact CB-O 3.35Å; N83-P169 PolarHBondContact ND2-O 2.94Å; I135-P169 HydrophobicContact CG2-CB 4.24Å; I135-P169 WeakPolarHBondContact O-CG 3.4Å; G138-P169 VanDerWaalsContact C-CG 3.46Å; G138-P169 VanDerWaalsContact CA-CG 3.48Å; I139-P169 HydrophobicContact CG1-CB 3.72Å; I139-P169 HydrophobicContact CG1-CG 3.97Å; V161-P169 HydrophobicContact CG1-CB 3.69Å; L162-P169 CarbonylContact O-C 3.55Å; L162-P169 VanDerWaalsContact O-CA 3.26Å; L162-P169 WeakPolarHBondContact O-CA 3.46Å; L163-P169 HydrophobicContact CD2-CB 4.09Å
170V98.6Very high96.4Very high14 Ų1435.7 Ų35.79%0.08517%0.171CC..EExtended strand (participates in β ladder)trans-131.5113.9174.9-174.90000108.2L85 L162L85-V170 HydrophobicContact CB-CG1 3.82Å; L85-V170 HydrophobicContact CD1-CG1 3.96Å; L162-V170 HydrophobicContact CB-CB 4.3Å; L162-V170 PolarHBondContact N-O 3.21Å; L162-V170 PolarHBondContact O-N 2.98Å
171L98.7Very high96.3Very high0 Ų041.9 Ų41.90%019%0.193CC..EExtended strand (participates in β ladder)trans-67132.4175.1-59-177.9000109.7N83 L85 I139 L143 I146 L156 V161N83-L171 WeakPolarHBondContact O-CB 3.49Å; N83-L171 WeakPolarHBondContact O-CG 3.3Å; N83-L171 PolarHBondContact O-N 3.29Å; L85-L171 VanDerWaalsContact CB-O 3.3Å; L85-L171 WeakPolarHBondContact CB-O 3.45Å; L85-L171 PolarHBondContact N-O 3.28Å; I139-L171 HydrophobicContact CG2-CD2 4.1Å; L143-L171 HydrophobicContact CD2-CD1 4.14Å; L143-L171 HydrophobicContact CG-CD1 4.11Å; I146-L171 HydrophobicContact CD1-CD1 3.84Å; L156-L171 HydrophobicContact CD1-CD2 3.69Å; V161-L171 HydrophobicContact CG2-CD2 3.99Å
172M97Very high96.3Very high48 Ų4843.7 Ų43.724%0.23620%0.203CC..  trans-129.5175.9177.870171.3-68.900111.4L85 H153 N160 L162L85-M172 HydrophobicContact CB-CB 4.28Å; L85-M172 HydrophobicContact CD2-CB 3.81Å; H153-M172 PolarHBondContact NE2-O 3.39Å; N160-M172 HydrophobicContact CB-CG 4.4Å; N160-M172 WeakPolarHBondContact O-CG 3.49Å; N160-M172 PolarHBondContact O-N 3.37Å; L162-M172 HydrophobicContact CD1-CB 4.22Å; L162-M172 HydrophobicContact CD1-CG 4.36Å; L162-M172 HydrophobicContact CD1-SD 3.69Å; L162-M172 HydrophobicContact CD2-SD 3.71Å; L162-M172 HydrophobicContact CG-CG 4.21Å; L162-M172 HydrophobicContact CG-SD 3.53Å; L162-M172 VanDerWaalsContact CG-SD 3.53Å
173D93.4Very high96.2Very high41 Ų4147 Ų4722%0.21922%0.217CC..  trans62.570.8178.4-162.224.5000113.4K56 N160 G175K56-D173 IonicContact NZ-OD1 2.76Å; K56-D173 PolarHBondContact NZ-OD1 2.86Å; N160-D173 PolarHBondContact ND2-OD2 2.8Å; D173-G175 PolarHBondContact O-N 3.2Å
174L94.8Very high96.2Very high1 Ų147.1 Ų47.11%0.00522%0.218CC..G310 helixtrans-83.96.6-177.2-44.4-175.3000112.6M75 H76 F79 I84 S176 M177M75-L174 HydrophobicContact CB-CB 3.84Å; M75-L174 HydrophobicContact CB-CD1 4.19Å; H76-L174 HydrophobicContact CB-CD1 4.3Å; F79-L174 HydrophobicContact CD2-CD1 4.48Å; I84-L174 HydrophobicContact CG2-CD1 4.32Å; I84-L174 HydrophobicContact CG2-CD2 4.44Å; L174-S176 VanDerWaalsContact C-N 3.26Å; L174-S176 PolarHBondContact O-N 2.83Å; L174-M177 HydrophobicContact CB-CE 4.37Å; L174-M177 HydrophobicContact CB-CG 4.21Å; L174-M177 HydrophobicContact CB-SD 3.81Å; L174-M177 HydrophobicContact CD1-SD 4.46Å; L174-M177 HydrophobicContact CD2-CE 3.43Å; L174-M177 VanDerWaalsContact CD2-CE 3.43Å; L174-M177 HydrophobicContact CD2-SD 3.96Å; L174-M177 HydrophobicContact CG-CE 4.36Å; L174-M177 HydrophobicContact CG-SD 4.27Å; L174-M177 VanDerWaalsContact O-CB 3.32Å; L174-M177 WeakPolarHBondContact O-CB 3.41Å; L174-M177 WeakPolarHBondContact O-CG 3.33Å; L174-M177 PolarHBondContact O-N 2.98Å; L174-M177 VanDerWaalsContact O-N 3.13Å
175G92.3Very high96.4Very high24 Ų2454 Ų5425%0.24724%0.243CC..G310 helixtrans-69.9-16.8-173.800000115.1D173D173-G175 PolarHBondContact O-N 3.2Å
176S94Very high96.6Very high13 Ų1350.1 Ų50.19%0.09123%0.229CC..G310 helixtrans-97-1.3173.7-68.80000113.4L174 W196 R200L174-S176 VanDerWaalsContact C-N 3.26Å; L174-S176 PolarHBondContact O-N 2.83Å; S176-W196 WeakPolarHBondContact O-CZ2 3.49Å; S176-R200 PolarHBondContact OG-O 3.19Å; S176-R200 VanDerWaalsContact OG-O 3.12Å
177M96.6Very high96.8Very high11 Ų1148.5 Ų48.55%0.05423%0.231CC..  trans-65.1138.8-178.8-74.2-170.1168.500112.1M75 F79 I146 A152 H153 L174M75-M177 HydrophobicContact CB-SD 4.38Å; M75-M177 HydrophobicContact CG-CB 3.93Å; M75-M177 HydrophobicContact SD-CB 3.94Å; F79-M177 HydrophobicContact CE2-SD 3.93Å; I146-M177 HydrophobicContact CD1-CE 3.4Å; I146-M177 HydrophobicContact CG1-CE 3.89Å; I146-M177 HydrophobicContact CG2-CE 4.04Å; I146-M177 HydrophobicContact CG2-SD 4.45Å; A152-M177 WeakPolarHBondContact O-CA 3.42Å; A152-M177 WeakPolarHBondContact O-CG 3.42Å; H153-M177 HydrophobicContact CB-CE 4.04Å; H153-M177 VanDerWaalsContact CD2-CE 3.44Å; H153-M177 WeakPolarHBondContact CD2-CE 3.42Å; L174-M177 HydrophobicContact CB-CE 4.37Å; L174-M177 HydrophobicContact CB-CG 4.21Å; L174-M177 HydrophobicContact CB-SD 3.81Å; L174-M177 HydrophobicContact CD1-SD 4.46Å; L174-M177 HydrophobicContact CD2-CE 3.43Å; L174-M177 VanDerWaalsContact CD2-CE 3.43Å; L174-M177 HydrophobicContact CD2-SD 3.96Å; L174-M177 HydrophobicContact CG-CE 4.36Å; L174-M177 HydrophobicContact CG-SD 4.27Å; L174-M177 VanDerWaalsContact O-CB 3.32Å; L174-M177 WeakPolarHBondContact O-CB 3.41Å; L174-M177 WeakPolarHBondContact O-CG 3.33Å; L174-M177 PolarHBondContact O-N 2.98Å; L174-M177 VanDerWaalsContact O-N 3.13Å
178N96.1Very high96.9Very high36 Ų3657 Ų5719%0.19326%0.26CS..EExtended strand (participates in β ladder)trans-148.1-178.4172.466.612.4000110.4Y151 A152 R154 A180 W196Y151-N178 CarbonylContact C-O 3.53Å; Y151-N178 VanDerWaalsContact CA-O 3.28Å; Y151-N178 WeakPolarHBondContact CA-O 3.48Å; Y151-N178 WeakPolarHBondContact CD1-O 3.48Å; A152-N178 PolarHBondContact N-O 3.27Å; A152-N178 PolarHBondContact O-N 3.02Å; R154-N178 PolarHBondContact NE-OD1 3.49Å; R154-N178 PolarHBondContact NH2-OD1 3.28Å; N178-A180 PolarHBondContact O-N 2.99Å; N178-W196 WeakPolarHBondContact ND2-CH2 3.28Å; N178-W196 WeakPolarHBondContact ND2-CZ2 3.33Å
179R97.5Very high96.9Very high148 Ų14855.2 Ų55.256%0.55826%0.257SS*.EExtended strand (participates in β ladder)trans-55.7133.4174.5-70.7-64.8-171.9177.7-0.8109.9R154R154-R179 PolarHBondContact NH2-O 3.23Å
180A96.9Very high96.9Very high3 Ų355.3 Ų55.33%0.02526%0.258CS..SBendtrans-56.6-54179.800000110.7G150 A152 R154 N178 D220 E221G150-A180 PolarHBondContact O-N 2.97Å; A152-A180 HydrophobicContact CB-CB 4.45Å; R154-A180 PolarHBondContact NH2-O 2.81Å; N178-A180 PolarHBondContact O-N 2.99Å; A180-D220 CarbonylContact O-C 3.59Å; A180-D220 WeakPolarHBondContact O-CA 3.09Å; A180-E221 HydrophobicContact CB-CB 3.9Å
181R97.5Very high96.9Very high142 Ų14259.5 Ų59.554%0.53628%0.278SS..  trans-90.4117.4-176.8-163.8177.2-176.2-89.35.5111.7E183 I218 I219R181-E183 IonicContact NH1-OE2 2.96Å; R181-I218 HydrophobicContact CG-CG2 3.63Å; R181-I219 CarbonylContact C-O 3.56Å; R181-I219 WeakPolarHBondContact CA-O 3.44Å
182I97.8Very high96.9Very high38 Ų3863.8 Ų63.820%0.19530%0.304CS..EExtended strand (participates in β ladder)trans-118.3115.7174.3-56.4170.6000107.1V184 V193 I218 I219I182-V184 HydrophobicContact CG2-CG2 4.35Å; I182-V193 HydrophobicContact CG2-CG2 4Å; I182-I218 WeakPolarHBondContact O-CA 3.5Å; I182-I219 HydrophobicContact CB-CB 4.37Å; I182-I219 PolarHBondContact N-O 2.83Å; I182-I219 PolarHBondContact O-N 3.11Å
183E98.1Very high96.9Very high85 Ų8562.3 Ų62.340%0.39730%0.298SS..EExtended strand (participates in β ladder)trans-92.4121.7174.6-170.9177.7158.800109.1R181 R185R181-E183 IonicContact NH1-OE2 2.96Å; E183-R185 VanDerWaalsContact CD-NH2 3.26Å; E183-R185 HydrophobicContact CG-CG 4.26Å; E183-R185 IonicContact OE1-CZ 3.68Å; E183-R185 IonicContact OE1-NE 3.17Å; E183-R185 PolarHBondContact OE1-NE 2.91Å; E183-R185 IonicContact OE1-NH2 2.68Å; E183-R185 PolarHBondContact OE1-NH2 3.39Å; E183-R185 IonicContact OE2-NH2 3.15Å; E183-R185 PolarHBondContact OE2-NH2 2.85Å
184V98.3Very high97.1Very high3 Ų362.8 Ų62.82%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-100.9123.3-178-178.60000109.1I182 E189 A190 V193 V213 E214 H216 C217I182-V184 HydrophobicContact CG2-CG2 4.35Å; V184-E189 HydrophobicContact CG1-CB 3.97Å; V184-A190 HydrophobicContact CG1-CB 3.75Å; V184-V193 HydrophobicContact CG2-CG2 4.21Å; V184-V213 HydrophobicContact CG1-CG1 4.47Å; V184-V213 HydrophobicContact CG2-CG1 4.14Å; V184-E214 WeakPolarHBondContact CG1-O 3.28Å; V184-H216 WeakPolarHBondContact O-CA 3.35Å; V184-C217 PolarHBondContact N-O 3.47Å
185R97.9Very high97.3Very high164 Ų16466.6 Ų66.662%0.61932%0.319SS*.EExtended strand (participates in β ladder)trans-124.662.9-175.2-62.3-176.3174.1175.23.7112.2E183 E189E183-R185 VanDerWaalsContact CD-NH2 3.26Å; E183-R185 HydrophobicContact CG-CG 4.26Å; E183-R185 IonicContact OE1-CZ 3.68Å; E183-R185 IonicContact OE1-NE 3.17Å; E183-R185 PolarHBondContact OE1-NE 2.91Å; E183-R185 IonicContact OE1-NH2 2.68Å; E183-R185 PolarHBondContact OE1-NH2 3.39Å; E183-R185 IonicContact OE2-NH2 3.15Å; E183-R185 PolarHBondContact OE2-NH2 2.85Å; R185-E189 WeakPolarHBondContact CA-OE2 3.32Å; R185-E189 PolarHBondContact N-OE2 2.9Å
186G98.1Very high97.5Very high17 Ų1768.5 Ų68.518%0.17532%0.319CS..SBendtrans123.9168.1171.300000112.6R188 E189 A190 S215G186-R188 PolarHBondContact O-N 2.9Å; G186-R188 VanDerWaalsContact O-N 3.16Å; G186-E189 PolarHBondContact O-N 3.11Å; G186-A190 PolarHBondContact O-N 3.24Å; G186-A190 VanDerWaalsContact O-N 3.1Å; G186-S215 VanDerWaalsContact CA-O 3.27Å; G186-S215 WeakPolarHBondContact CA-O 3.3Å; G186-S215 PolarHBondContact N-O 2.83Å
187S97.7Very high97.7Very high83 Ų8367.9 Ų67.958%0.5832%0.315SS*.Hα-helixtrans-63.2-26.9-171.2-46.70000114.2M191 S215S187-M191 PolarHBondContact O-N 2.92Å; S187-S215 WeakPolarHBondContact CA-OG 3.5Å; S187-S215 PolarHBondContact OG-OG 3.35Å
188R97.9Very high97.7Very high208 Ų20869.9 Ų69.979%0.78533%0.333SS*.Hα-helixtrans-69.8-42.9177.4-172.4179.470172.31.2112G186 A190 T192G186-R188 PolarHBondContact O-N 2.9Å; G186-R188 VanDerWaalsContact O-N 3.16Å; R188-A190 VanDerWaalsContact C-N 3.35Å; R188-T192 PolarHBondContact O-N 3.38Å; R188-T192 VanDerWaalsContact O-N 3.08Å; R188-T192 PolarHBondContact O-OG1 3.08Å
189E98.1Very high97.7Very high78 Ų7875.5 Ų75.536%0.36436%0.358SS..Hα-helixtrans-68.5-39.7176.8-68.7179.6-170.800110.3V184 R185 G186 M191 T192 V193V184-E189 HydrophobicContact CG1-CB 3.97Å; R185-E189 WeakPolarHBondContact CA-OE2 3.32Å; R185-E189 PolarHBondContact N-OE2 2.9Å; G186-E189 PolarHBondContact O-N 3.11Å; E189-M191 PolarHBondContact O-N 3.11Å; E189-T192 WeakPolarHBondContact O-CB 3.43Å; E189-T192 PolarHBondContact O-N 2.85Å; E189-T192 VanDerWaalsContact O-N 3.15Å; E189-V193 WeakPolarHBondContact O-CG2 3.42Å; E189-V193 PolarHBondContact O-N 2.86Å
190A98.3Very high97.5Very high4 Ų471.5 Ų71.53%0.03334%0.343CS..Hα-helixtrans-56.6-49.5174.400000112V184 G186 R188 T192 V193 Q194 V213V184-A190 HydrophobicContact CG1-CB 3.75Å; G186-A190 PolarHBondContact O-N 3.24Å; G186-A190 VanDerWaalsContact O-N 3.1Å; R188-A190 VanDerWaalsContact C-N 3.35Å; A190-T192 VanDerWaalsContact C-N 3.31Å; A190-T192 PolarHBondContact O-N 3.3Å; A190-V193 PolarHBondContact O-N 3.45Å; A190-Q194 WeakPolarHBondContact O-CB 3.46Å; A190-Q194 PolarHBondContact O-N 3.24Å; A190-V213 HydrophobicContact CB-CB 4.19Å; A190-V213 HydrophobicContact CB-CG1 3.94Å; A190-V213 WeakPolarHBondContact CB-O 3.35Å
191M98.1Very high97.5Very high103 Ų10371.6 Ų71.651%0.50734%0.343SS..Hα-helixtrans-59.9-41.6176.1-166.866.968.200111.9S187 E189 V193 Q194 D195S187-M191 PolarHBondContact O-N 2.92Å; E189-M191 PolarHBondContact O-N 3.11Å; M191-V193 PolarHBondContact O-N 2.97Å; M191-Q194 PolarHBondContact O-N 2.78Å; M191-D195 WeakPolarHBondContact O-CB 3.46Å; M191-D195 PolarHBondContact O-N 3.35Å
192T97.9Very high97.5Very high89 Ų8966.9 Ų66.955%0.54633%0.33SS..Hα-helixtrans-61.5-44178.6-54.40000111.7R188 E189 A190 W196R188-T192 PolarHBondContact O-N 3.38Å; R188-T192 VanDerWaalsContact O-N 3.08Å; R188-T192 PolarHBondContact O-OG1 3.08Å; E189-T192 WeakPolarHBondContact O-CB 3.43Å; E189-T192 PolarHBondContact O-N 2.85Å; E189-T192 VanDerWaalsContact O-N 3.15Å; A190-T192 VanDerWaalsContact C-N 3.31Å; A190-T192 PolarHBondContact O-N 3.3Å; T192-W196 VanDerWaalsContact O-CB 3.29Å; T192-W196 WeakPolarHBondContact O-CB 3.46Å; T192-W196 PolarHBondContact O-N 2.66Å
193V97.9Very high97.5Very high17 Ų1767.8 Ų67.810%0.10334%0.335CS..Hα-helixtrans-66.8-40.6177173.70000110.9I182 V184 E189 A190 M191 W196 A197 L210 V213I182-V193 HydrophobicContact CG2-CG2 4Å; V184-V193 HydrophobicContact CG2-CG2 4.21Å; E189-V193 WeakPolarHBondContact O-CG2 3.42Å; E189-V193 PolarHBondContact O-N 2.86Å; A190-V193 PolarHBondContact O-N 3.45Å; M191-V193 PolarHBondContact O-N 2.97Å; V193-W196 PolarHBondContact O-N 3.08Å; V193-A197 WeakPolarHBondContact O-CB 3.46Å; V193-A197 PolarHBondContact O-N 2.98Å; V193-L210 HydrophobicContact CG1-CD2 4.35Å; V193-V213 HydrophobicContact CB-CG1 4.33Å; V193-V213 HydrophobicContact CB-CG2 4.42Å; V193-V213 HydrophobicContact CG1-CG1 4.33Å; V193-V213 HydrophobicContact CG1-CG2 4.09Å
194Q98.2Very high97.4Very high51 Ų5164.1 Ų64.124%0.23832%0.319CS..Hα-helixtrans-63.7-46.9178.1-171174.7-71.100111.9A190 M191 W196 A197 A198 F211 V213A190-Q194 WeakPolarHBondContact O-CB 3.46Å; A190-Q194 PolarHBondContact O-N 3.24Å; M191-Q194 PolarHBondContact O-N 2.78Å; Q194-W196 VanDerWaalsContact C-N 3.34Å; Q194-W196 PolarHBondContact O-N 2.98Å; Q194-A197 PolarHBondContact O-N 3.43Å; Q194-A198 WeakPolarHBondContact O-CB 3.3Å; Q194-A198 PolarHBondContact O-N 3.31Å; Q194-F211 PolarHBondContact OE1-O 2.93Å; Q194-F211 VanDerWaalsContact OE1-O 3.08Å; Q194-V213 HydrophobicContact CB-CB 4.39Å; Q194-V213 HydrophobicContact CB-CG2 3.82Å; Q194-V213 HydrophobicContact CG-CG2 4.42Å
195D98.1Very high97.4Very high82 Ų8264.7 Ų64.744%0.43932%0.32SS..Hα-helixtrans-64-40.2177.2-72.3-19.1000111.4M191 A198 Q199M191-D195 WeakPolarHBondContact O-CB 3.46Å; M191-D195 PolarHBondContact O-N 3.35Å; D195-A198 WeakPolarHBondContact O-CB 3.47Å; D195-A198 PolarHBondContact O-N 3.44Å; D195-Q199 WeakPolarHBondContact O-CG 3.44Å; D195-Q199 PolarHBondContact O-N 3.42Å; D195-Q199 VanDerWaalsContact O-N 3.13Å
196W97.1Very high97.5Very high64 Ų6458 Ų5824%0.24230%0.295CS..Hα-helixtrans-61.4-47.1173.7174.887.7000111.6R154 S176 N178 T192 V193 Q194 A198 Q199 R200R154-W196 HydrophobicContact CB-CH2 3.76Å; R154-W196 HydrophobicContact CG-CH2 3.71Å; R154-W196 HydrophobicContact CG-CZ3 4.44Å; S176-W196 WeakPolarHBondContact O-CZ2 3.49Å; N178-W196 WeakPolarHBondContact ND2-CH2 3.28Å; N178-W196 WeakPolarHBondContact ND2-CZ2 3.33Å; T192-W196 VanDerWaalsContact O-CB 3.29Å; T192-W196 WeakPolarHBondContact O-CB 3.46Å; T192-W196 PolarHBondContact O-N 2.66Å; V193-W196 PolarHBondContact O-N 3.08Å; Q194-W196 VanDerWaalsContact C-N 3.34Å; Q194-W196 PolarHBondContact O-N 2.98Å; W196-A198 VanDerWaalsContact C-N 3.27Å; W196-A198 PolarHBondContact O-N 3.2Å; W196-Q199 PolarHBondContact O-N 3.31Å; W196-Q199 VanDerWaalsContact O-N 3.15Å; W196-R200 HydrophobicContact CD2-CB 4.45Å; W196-R200 HydrophobicContact CD2-CG 4.38Å; W196-R200 HydrophobicContact CG-CG 4.48Å; W196-R200 HydrophobicContact CH2-CB 4.39Å; W196-R200 HydrophobicContact CZ2-CB 4Å; W196-R200 HydrophobicContact CZ2-CG 4.18Å; W196-R200 WeakPolarHBondContact O-CB 3.39Å; W196-R200 WeakPolarHBondContact O-CG 3.46Å; W196-R200 PolarHBondContact O-N 2.93Å
197A97.8Very high97.5Very high0 Ų057.2 Ų57.20%029%0.287CS..Hα-helixtrans-64.7-34.717700000111.5V193 Q194 Q199 R200 C201 R206 L210V193-A197 WeakPolarHBondContact O-CB 3.46Å; V193-A197 PolarHBondContact O-N 2.98Å; Q194-A197 PolarHBondContact O-N 3.43Å; A197-Q199 VanDerWaalsContact C-N 3.25Å; A197-Q199 PolarHBondContact O-N 2.97Å; A197-R200 PolarHBondContact O-N 2.76Å; A197-C201 VanDerWaalsContact O-CB 3.29Å; A197-C201 WeakPolarHBondContact O-CB 3.31Å; A197-C201 PolarHBondContact O-N 3.39Å; A197-R206 VanDerWaalsContact O-CZ 3.3Å; A197-R206 PolarHBondContact O-NE 3.47Å; A197-R206 PolarHBondContact O-NH2 2.91Å; A197-R206 VanDerWaalsContact O-NH2 3.12Å; A197-L210 HydrophobicContact CB-CB 3.94Å; A197-L210 HydrophobicContact CB-CD1 4.23Å; A197-L210 HydrophobicContact CB-CD2 4.24Å; A197-L210 HydrophobicContact CB-CG 4.38Å
198A97.3Very high97.5Very high52 Ų5253.5 Ų53.543%0.4326%0.261SS..Hα-helixtrans-57.7-38.6173.700000112.5Q194 D195 W196 R206Q194-A198 WeakPolarHBondContact O-CB 3.3Å; Q194-A198 PolarHBondContact O-N 3.31Å; D195-A198 WeakPolarHBondContact O-CB 3.47Å; D195-A198 PolarHBondContact O-N 3.44Å; W196-A198 VanDerWaalsContact C-N 3.27Å; W196-A198 PolarHBondContact O-N 3.2Å; A198-R206 VanDerWaalsContact CA-NH2 3.31Å; A198-R206 PolarHBondContact O-NH2 3.05Å; A198-R206 VanDerWaalsContact O-NH2 3.17Å
199Q94.7Very high97.5Very high154 Ų15444.6 Ų44.672%0.7223%0.228SC*.Hα-helixtrans-85-33-179.3-67.2172.310.200113.8D195 W196 A197D195-Q199 WeakPolarHBondContact O-CG 3.44Å; D195-Q199 PolarHBondContact O-N 3.42Å; D195-Q199 VanDerWaalsContact O-N 3.13Å; W196-Q199 PolarHBondContact O-N 3.31Å; W196-Q199 VanDerWaalsContact O-N 3.15Å; A197-Q199 VanDerWaalsContact C-N 3.25Å; A197-Q199 PolarHBondContact O-N 2.97Å
200R94.3Very high97.5Very high65 Ų6541.1 Ų41.125%0.24521%0.212CC..Hα-helixtrans-110.5-21.7-166-64.5-71.6-178.9161.3-5.6115.3E68 S176 W196 A197E68-R200 IonicContact OE1-NH2 2.72Å; E68-R200 PolarHBondContact OE1-NH2 2.98Å; E68-R200 IonicContact OE2-CZ 3.06Å; E68-R200 IonicContact OE2-NH1 3.46Å; E68-R200 IonicContact OE2-NH2 3.99Å; E68-R200 PolarHBondContact OE2-NH2 3.03Å; S176-R200 PolarHBondContact OG-O 3.19Å; S176-R200 VanDerWaalsContact OG-O 3.12Å; W196-R200 HydrophobicContact CD2-CB 4.45Å; W196-R200 HydrophobicContact CD2-CG 4.38Å; W196-R200 HydrophobicContact CG-CG 4.48Å; W196-R200 HydrophobicContact CH2-CB 4.39Å; W196-R200 HydrophobicContact CZ2-CB 4Å; W196-R200 HydrophobicContact CZ2-CG 4.18Å; W196-R200 WeakPolarHBondContact O-CB 3.39Å; W196-R200 WeakPolarHBondContact O-CG 3.46Å; W196-R200 PolarHBondContact O-N 2.93Å; A197-R200 PolarHBondContact O-N 2.76Å
201C97.2Very high97.5Very high5 Ų542.3 Ų42.33%0.03422%0.217CC..SBendtrans-105.7123.3-178.9-54.10000109.3R154 A197 I203 R206R154-C201 PolarHBondContact O-SG 2.82Å; A197-C201 VanDerWaalsContact O-CB 3.29Å; A197-C201 WeakPolarHBondContact O-CB 3.31Å; A197-C201 PolarHBondContact O-N 3.39Å; C201-I203 PolarHBondContact O-N 3.23Å; C201-R206 HydrophobicContact CB-CB 4.31Å; C201-R206 HydrophobicContact CB-CG 4.07Å; C201-R206 PolarHBondContact O-NE 2.75Å; C201-R206 PolarHBondContact O-NH2 3.09Å
202T96.6Very high97.3Very high43 Ų4343 Ų4326%0.26422%0.222SC..  trans-59.1125.4177.9-57.80000110.7D155 K157 S204 Y205 R206D155-T202 VanDerWaalsContact OD1-CB 3.3Å; D155-T202 WeakPolarHBondContact OD1-CB 3.36Å; D155-T202 PolarHBondContact OD1-N 3.39Å; D155-T202 PolarHBondContact OD1-OG1 2.92Å; K157-T202 HydrophobicContact CD-CG2 4.25Å; K157-T202 VanDerWaalsContact CD-OG1 3.29Å; K157-T202 WeakPolarHBondContact CD-OG1 3.46Å; K157-T202 PolarHBondContact NZ-OG1 2.8Å; T202-S204 VanDerWaalsContact C-N 3.34Å; T202-S204 PolarHBondContact O-N 3.36Å; T202-Y205 HydrophobicContact CG2-CD2 3.92Å; T202-Y205 CarbonylContact O-C 3.54Å; T202-Y205 PolarHBondContact O-N 3.29Å; T202-R206 PolarHBondContact O-N 2.96Å
203I97.4Very high97.3Very high57 Ų5739.2 Ų39.229%0.29220%0.199SC..G310 helixtrans-55.7-40.5-167.7-168.3171.4000114C201 Y205 R206 F211 F246 V252C201-I203 PolarHBondContact O-N 3.23Å; I203-Y205 PolarHBondContact O-N 3.3Å; I203-R206 PolarHBondContact O-N 3.39Å; I203-F211 HydrophobicContact CD1-CE1 4.41Å; I203-F211 HydrophobicContact CG1-CE1 3.88Å; I203-F211 HydrophobicContact CG1-CZ 4.02Å; I203-F246 HydrophobicContact CD1-CD2 4.49Å; I203-F246 HydrophobicContact CG2-CD2 3.72Å; I203-F246 HydrophobicContact CG2-CE2 3.69Å; I203-F246 HydrophobicContact CG2-CG 4.22Å; I203-F246 HydrophobicContact CG2-CZ 4.16Å; I203-V252 HydrophobicContact CD1-CB 4.4Å; I203-V252 HydrophobicContact CG1-CB 4.24Å; I203-V252 HydrophobicContact CG1-CG1 4.21Å
204S97.3Very high97.3Very high8 Ų844.5 Ų44.56%0.05622%0.223CC..G310 helixtrans-76.7-6.6-179.955.40000114.5T202 Y242 D243T202-S204 VanDerWaalsContact C-N 3.34Å; T202-S204 PolarHBondContact O-N 3.36Å; S204-Y242 WeakPolarHBondContact O-CD2 3.5Å; S204-D243 WeakPolarHBondContact CB-OD1 3.29Å; S204-D243 PolarHBondContact OG-OD1 2.9Å
205Y98.4Very high97.3Very high14 Ų1444 Ų446%0.05523%0.225CC..G310 helixtrans-118.7-1.2177.5-63.5-95.3000112.3K157 P158 T202 I203 S227 C230 C234K157-Y205 HydrophobicContact CB-CD1 3.86Å; K157-Y205 HydrophobicContact CB-CD2 3.92Å; K157-Y205 HydrophobicContact CB-CE1 4.07Å; K157-Y205 HydrophobicContact CB-CE2 4.11Å; K157-Y205 HydrophobicContact CB-CG 3.81Å; P158-Y205 VanDerWaalsContact CD-CZ 3.45Å; P158-Y205 WeakPolarHBondContact CD-OH 3.29Å; P158-Y205 HydrophobicContact CG-CE1 4.14Å; T202-Y205 HydrophobicContact CG2-CD2 3.92Å; T202-Y205 CarbonylContact O-C 3.54Å; T202-Y205 PolarHBondContact O-N 3.29Å; I203-Y205 PolarHBondContact O-N 3.3Å; Y205-S227 PolarHBondContact O-OG 3.44Å; Y205-C230 HydrophobicContact CD1-CB 3.42Å; Y205-C230 VanDerWaalsContact CD1-CB 3.42Å; Y205-C230 HydrophobicContact CE1-CB 3.77Å; Y205-C230 HydrophobicContact CG-CB 4.36Å; Y205-C234 PolarHBondContact OH-SG 3.5Å
206R98.6Very high97.3Very high24 Ų2447 Ų479%0.09124%0.236CC..  trans-71.6135.3-177.8-175.1-177.6-55.8164.56.2110.4A197 A198 C201 T202 I203 L210 F211 W226A197-R206 VanDerWaalsContact O-CZ 3.3Å; A197-R206 PolarHBondContact O-NE 3.47Å; A197-R206 PolarHBondContact O-NH2 2.91Å; A197-R206 VanDerWaalsContact O-NH2 3.12Å; A198-R206 VanDerWaalsContact CA-NH2 3.31Å; A198-R206 PolarHBondContact O-NH2 3.05Å; A198-R206 VanDerWaalsContact O-NH2 3.17Å; C201-R206 HydrophobicContact CB-CB 4.31Å; C201-R206 HydrophobicContact CB-CG 4.07Å; C201-R206 PolarHBondContact O-NE 2.75Å; C201-R206 PolarHBondContact O-NH2 3.09Å; T202-R206 PolarHBondContact O-N 2.96Å; I203-R206 PolarHBondContact O-N 3.39Å; R206-L210 HydrophobicContact CG-CB 3.78Å; R206-L210 HydrophobicContact CG-CD1 4.19Å; R206-F211 HydrophobicContact CB-CE2 3.75Å; R206-F211 HydrophobicContact CB-CZ 3.86Å; R206-F211 HydrophobicContact CG-CD2 4.23Å; R206-F211 HydrophobicContact CG-CE2 3.82Å; R206-F211 HydrophobicContact CG-CZ 4.14Å; R206-F211 WeakPolarHBondContact O-CE2 3.27Å; R206-W226 PolarHBondContact O-NE1 3Å; R206-W226 VanDerWaalsContact O-NE1 3.14Å
207A98.3Very high97.3Very high1 Ų145.1 Ų45.11%0.00823%0.233CC..  trans-69146.317800000112.2E209 L210 F211 T223 W226A207-E209 VanDerWaalsContact C-N 3.27Å; A207-E209 VanDerWaalsContact CB-CD 3.48Å; A207-E209 HydrophobicContact CB-CG 4.34Å; A207-E209 WeakPolarHBondContact CB-OE1 3.41Å; A207-E209 WeakPolarHBondContact CB-OE2 3.29Å; A207-E209 PolarHBondContact O-N 2.93Å; A207-L210 HydrophobicContact CB-CD1 4.48Å; A207-L210 WeakPolarHBondContact O-CB 3.47Å; A207-L210 PolarHBondContact O-N 3.25Å; A207-F211 WeakPolarHBondContact O-CD2 3.38Å; A207-T223 HydrophobicContact CB-CG2 4.15Å; A207-W226 VanDerWaalsContact CA-CD1 3.48Å; A207-W226 HydrophobicContact CB-CB 3.83Å; A207-W226 HydrophobicContact CB-CG 3.97Å
208P98.3Very high97.3Very high4 Ų448.2 Ų48.23%0.02625%0.248CC..G310 helixtrans-52.3-41.9-178-30.637.4000114L210 F211 W226 V256P208-L210 PolarHBondContact O-N 3.45Å; P208-L210 VanDerWaalsContact O-N 3.07Å; P208-F211 PolarHBondContact O-N 2.83Å; P208-F211 VanDerWaalsContact O-N 3.07Å; P208-W226 VanDerWaalsContact CD-CD2 3.44Å; P208-W226 HydrophobicContact CG-CD2 4.13Å; P208-W226 HydrophobicContact CG-CE3 3.96Å; P208-W226 HydrophobicContact CG-CH2 3.64Å; P208-W226 HydrophobicContact CG-CZ2 3.81Å; P208-W226 HydrophobicContact CG-CZ3 3.72Å; P208-V256 HydrophobicContact CB-CG2 4.22Å; P208-V256 HydrophobicContact CG-CB 4.08Å; P208-V256 HydrophobicContact CG-CG2 4.12Å; P208-V256 WeakPolarHBondContact CG-O 3.35Å
209E98.2Very high97.3Very high22 Ų2246 Ų4610%0.10323%0.229CC..G310 helixtrans-64.6-10.1-179.463.2-90-155.800114.3A207 I219 T223 P284 R287A207-E209 VanDerWaalsContact C-N 3.27Å; A207-E209 VanDerWaalsContact CB-CD 3.48Å; A207-E209 HydrophobicContact CB-CG 4.34Å; A207-E209 WeakPolarHBondContact CB-OE1 3.41Å; A207-E209 WeakPolarHBondContact CB-OE2 3.29Å; A207-E209 PolarHBondContact O-N 2.93Å; E209-I219 HydrophobicContact CB-CD1 4.01Å; E209-I219 HydrophobicContact CG-CD1 3.91Å; E209-T223 HydrophobicContact CG-CG2 4.17Å; E209-T223 WeakPolarHBondContact OE1-CG2 3.44Å; E209-P284 HydrophobicContact CB-CG 4.21Å; E209-P284 HydrophobicContact CG-CG 4.29Å; E209-R287 IonicContact OE1-CZ 2.81Å; E209-R287 IonicContact OE1-NH1 3.77Å; E209-R287 PolarHBondContact OE1-NH1 3.45Å; E209-R287 IonicContact OE1-NH2 3.7Å; E209-R287 IonicContact OE2-CZ 3.02Å; E209-R287 IonicContact OE2-NH1 3.65Å; E209-R287 PolarHBondContact OE2-NH1 3.15Å; E209-R287 IonicContact OE2-NH2 3.69Å; E209-R287 PolarHBondContact OE2-NH2 3.4Å
210L98.2Very high97.5Very high4 Ų439.6 Ų39.62%0.02120%0.2CC..G310 helixtrans-99.4-5.6176.5-63.9177.4000113.7V193 A197 R206 A207 P208 I219 T223V193-L210 HydrophobicContact CG1-CD2 4.35Å; A197-L210 HydrophobicContact CB-CB 3.94Å; A197-L210 HydrophobicContact CB-CD1 4.23Å; A197-L210 HydrophobicContact CB-CD2 4.24Å; A197-L210 HydrophobicContact CB-CG 4.38Å; R206-L210 HydrophobicContact CG-CB 3.78Å; R206-L210 HydrophobicContact CG-CD1 4.19Å; A207-L210 HydrophobicContact CB-CD1 4.48Å; A207-L210 WeakPolarHBondContact O-CB 3.47Å; A207-L210 PolarHBondContact O-N 3.25Å; P208-L210 PolarHBondContact O-N 3.45Å; P208-L210 VanDerWaalsContact O-N 3.07Å; L210-I219 HydrophobicContact CD2-CG2 3.99Å; L210-T223 HydrophobicContact CD1-CG2 3.94Å; L210-T223 HydrophobicContact CD2-CG2 4.39Å; L210-T223 HydrophobicContact CG-CG2 4.1Å
211F97.5Very high97.7Very high29 Ų2939.3 Ų39.313%0.12720%0.201CC..THydrogen-bonded Turntrans-87-34.7174.7-75.6-84.5000112.9Q194 I203 R206 A207 P208 V252 A253 V256Q194-F211 PolarHBondContact OE1-O 2.93Å; Q194-F211 VanDerWaalsContact OE1-O 3.08Å; I203-F211 HydrophobicContact CD1-CE1 4.41Å; I203-F211 HydrophobicContact CG1-CE1 3.88Å; I203-F211 HydrophobicContact CG1-CZ 4.02Å; R206-F211 HydrophobicContact CB-CE2 3.75Å; R206-F211 HydrophobicContact CB-CZ 3.86Å; R206-F211 HydrophobicContact CG-CD2 4.23Å; R206-F211 HydrophobicContact CG-CE2 3.82Å; R206-F211 HydrophobicContact CG-CZ 4.14Å; R206-F211 WeakPolarHBondContact O-CE2 3.27Å; A207-F211 WeakPolarHBondContact O-CD2 3.38Å; P208-F211 PolarHBondContact O-N 2.83Å; P208-F211 VanDerWaalsContact O-N 3.07Å; F211-V252 HydrophobicContact CZ-CG1 4.02Å; F211-A253 HydrophobicContact CB-CB 4.25Å; F211-A253 HydrophobicContact CD1-CB 3.5Å; F211-A253 HydrophobicContact CE1-CB 3.98Å; F211-A253 HydrophobicContact CG-CB 3.99Å; F211-V256 HydrophobicContact CD2-CG2 3.83Å; F211-V256 HydrophobicContact CE2-CG1 4.22Å; F211-V256 HydrophobicContact CE2-CG2 3.78Å
212N94.9Very high97.8Very high118 Ų11840.8 Ų40.863%0.63121%0.206SC*.SBendtrans-134.585.7176-178.763.8000108E214N212-E214 PolarHBondContact O-N 3.25Å
213V97.8Very high97.9Very high10 Ų1038.9 Ų38.96%0.06119%0.194CC..  trans-74.2123-177.9-176.80000108.6V184 A190 V193 Q194V184-V213 HydrophobicContact CG1-CG1 4.47Å; V184-V213 HydrophobicContact CG2-CG1 4.14Å; A190-V213 HydrophobicContact CB-CB 4.19Å; A190-V213 HydrophobicContact CB-CG1 3.94Å; A190-V213 WeakPolarHBondContact CB-O 3.35Å; V193-V213 HydrophobicContact CB-CG1 4.33Å; V193-V213 HydrophobicContact CB-CG2 4.42Å; V193-V213 HydrophobicContact CG1-CG1 4.33Å; V193-V213 HydrophobicContact CG1-CG2 4.09Å; Q194-V213 HydrophobicContact CB-CB 4.39Å; Q194-V213 HydrophobicContact CB-CG2 3.82Å; Q194-V213 HydrophobicContact CG-CG2 4.42Å
214E97.5Very high98Very high127 Ų12736.1 Ų36.159%0.59318%0.18SC*.  trans-70.7149.1177.7-65-177.1177.200112.1V184 N212 H216 C217V184-E214 WeakPolarHBondContact CG1-O 3.28Å; N212-E214 PolarHBondContact O-N 3.25Å; E214-H216 PolarHBondContact O-N 3.39Å; E214-C217 HydrophobicContact CB-CB 4.03Å; E214-C217 PolarHBondContact O-SG 2.66Å
215S97.8Very high98Very high40 Ų4035.8 Ų35.828%0.2818%0.178SC..THydrogen-bonded Turntrans-64-22.2179.7-59.60000113.9G186 S187G186-S215 VanDerWaalsContact CA-O 3.27Å; G186-S215 WeakPolarHBondContact CA-O 3.3Å; G186-S215 PolarHBondContact N-O 2.83Å; S187-S215 WeakPolarHBondContact CA-OG 3.5Å; S187-S215 PolarHBondContact OG-OG 3.35Å
216H97.6Very high98Very high145 Ų14535.1 Ų35.167%0.67118%0.175SC*.EExtended strand (participates in β ladder)trans-139.878.4-177.9-67.3-65.5000110.8V184 E214V184-H216 WeakPolarHBondContact O-CA 3.35Å; E214-H216 PolarHBondContact O-N 3.39Å
217C97.6Very high98.1Very high26 Ų2634.2 Ų34.218%0.17617%0.172CC..EExtended strand (participates in β ladder)trans-140.4174.2-178.570.80000112.4V184 E214V184-C217 PolarHBondContact N-O 3.47Å; E214-C217 HydrophobicContact CB-CB 4.03Å; E214-C217 PolarHBondContact O-SG 2.66Å
218I97.8Very high98.1Very high65 Ų6534.1 Ų34.133%0.33317%0.172SC..EExtended strand (participates in β ladder)trans-118.3117.5169-63.7155.8000106.6R181 I182R181-I218 HydrophobicContact CG-CG2 3.63Å; I182-I218 WeakPolarHBondContact O-CA 3.5Å
219I98.3Very high98.1Very high6 Ų634 Ų343%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-90.2130.4165.2-57.4-60.9000106.8R181 I182 E209 L210 T223R181-I219 CarbonylContact C-O 3.56Å; R181-I219 WeakPolarHBondContact CA-O 3.44Å; I182-I219 HydrophobicContact CB-CB 4.37Å; I182-I219 PolarHBondContact N-O 2.83Å; I182-I219 PolarHBondContact O-N 3.11Å; E209-I219 HydrophobicContact CB-CD1 4.01Å; E209-I219 HydrophobicContact CG-CD1 3.91Å; L210-I219 HydrophobicContact CD2-CG2 3.99Å; I219-T223 HydrophobicContact CG2-CG2 3.74Å
220D98.4Very high98.1Very high19 Ų1932.9 Ų32.910%0.10217%0.166CC..  trans-126.9-168.6-18063.931.1000112R154 A180 R222R154-D220 PolarHBondContact NH1-O 2.89Å; A180-D220 CarbonylContact O-C 3.59Å; A180-D220 WeakPolarHBondContact O-CA 3.09Å; D220-R222 PolarHBondContact O-N 2.98Å; D220-R222 WeakPolarHBondContact OD1-CB 3.24Å; D220-R222 VanDerWaalsContact OD1-CG 3.31Å; D220-R222 WeakPolarHBondContact OD1-CG 3.44Å; D220-R222 IonicContact OD1-CZ 2.71Å; D220-R222 PolarHBondContact OD1-N 3.47Å; D220-R222 IonicContact OD1-NE 3.6Å; D220-R222 PolarHBondContact OD1-NE 3.04Å; D220-R222 IonicContact OD2-CZ 2.75Å; D220-R222 IonicContact OD2-NE 2.89Å; D220-R222 PolarHBondContact OD2-NE 2.93Å; D220-R222 IonicContact OD2-NH2 3.84Å; D220-R222 PolarHBondContact OD2-NH2 3.5Å
221E98.4Very high98.2Very high58 Ų5832.7 Ų32.727%0.27117%0.165SC..THydrogen-bonded Turntrans-66.4-10.8179.669.3-76.8175.800114.1H147 A152 A180 T223 D224H147-E221 HydrophobicContact CB-CG 4.16Å; A152-E221 HydrophobicContact CB-CB 4.3Å; A180-E221 HydrophobicContact CB-CB 3.9Å; E221-T223 PolarHBondContact O-N 3.23Å; E221-T223 VanDerWaalsContact O-N 3.09Å; E221-D224 WeakPolarHBondContact O-CB 3.46Å; E221-D224 PolarHBondContact O-N 2.71Å
222R98.7Very high98.2Very high37 Ų3731.3 Ų31.314%0.1416%0.159CC..Hα-helixtrans-65-13.9178-66.9177.4-77.1-170.8-5.5112.8D220 D224 I225 W226 P284 Q285 R287D220-R222 PolarHBondContact O-N 2.98Å; D220-R222 WeakPolarHBondContact OD1-CB 3.24Å; D220-R222 VanDerWaalsContact OD1-CG 3.31Å; D220-R222 WeakPolarHBondContact OD1-CG 3.44Å; D220-R222 IonicContact OD1-CZ 2.71Å; D220-R222 PolarHBondContact OD1-N 3.47Å; D220-R222 IonicContact OD1-NE 3.6Å; D220-R222 PolarHBondContact OD1-NE 3.04Å; D220-R222 IonicContact OD2-CZ 2.75Å; D220-R222 IonicContact OD2-NE 2.89Å; D220-R222 PolarHBondContact OD2-NE 2.93Å; D220-R222 IonicContact OD2-NH2 3.84Å; D220-R222 PolarHBondContact OD2-NH2 3.5Å; R222-D224 PolarHBondContact O-N 3.14Å; R222-I225 HydrophobicContact CB-CG1 4.5Å; R222-I225 WeakPolarHBondContact O-CB 3.41Å; R222-I225 PolarHBondContact O-N 2.99Å; R222-W226 PolarHBondContact O-N 3.13Å; R222-P284 VanDerWaalsContact CD-O 3.24Å; R222-P284 WeakPolarHBondContact CD-O 3.45Å; R222-P284 PolarHBondContact NE-O 2.87Å; R222-P284 PolarHBondContact NH1-O 2.92Å; R222-Q285 VanDerWaalsContact NH1-CA 3.33Å; R222-Q285 PolarHBondContact NH1-O 2.78Å; R222-Q285 VanDerWaalsContact NH2-CD 3.28Å; R222-Q285 VanDerWaalsContact NH2-NE2 3.17Å; R222-R287 WeakPolarHBondContact CD-O 3.26Å; R222-R287 WeakPolarHBondContact O-CD 3.35Å; R222-R287 PolarHBondContact O-NH1 3.23Å
223T98.7Very high98.4Very high2 Ų226.5 Ų26.51%0.01213%0.132CC..Hα-helixtrans-56.4-38.7166.963.30000111.6R154 A207 E209 L210 I219 E221 I225 W226 S227R154-T223 VanDerWaalsContact NH1-CG2 3.3Å; R154-T223 PolarHBondContact NH1-OG1 3.04Å; A207-T223 HydrophobicContact CB-CG2 4.15Å; E209-T223 HydrophobicContact CG-CG2 4.17Å; E209-T223 WeakPolarHBondContact OE1-CG2 3.44Å; L210-T223 HydrophobicContact CD1-CG2 3.94Å; L210-T223 HydrophobicContact CD2-CG2 4.39Å; L210-T223 HydrophobicContact CG-CG2 4.1Å; I219-T223 HydrophobicContact CG2-CG2 3.74Å; E221-T223 PolarHBondContact O-N 3.23Å; E221-T223 VanDerWaalsContact O-N 3.09Å; T223-I225 VanDerWaalsContact C-N 3.27Å; T223-I225 PolarHBondContact O-N 3.45Å; T223-W226 WeakPolarHBondContact O-CB 3.24Å; T223-W226 PolarHBondContact O-N 3.08Å; T223-S227 PolarHBondContact O-N 3.36Å; T223-S227 PolarHBondContact O-OG 2.8Å
224D98.9Very high98.4Very high0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-70-27.6178.2-67-15.2000111.7L143 H147 A152 H153 R154 E221 R222 W226 S227 L228L143-D224 HydrophobicContact CD2-CB 4.26Å; H147-D224 IonicContact CD2-OD2 2.97Å; H147-D224 IonicContact CE1-OD2 3.97Å; H147-D224 IonicContact NE2-OD2 3.21Å; H147-D224 PolarHBondContact NE2-OD2 3.16Å; A152-D224 WeakPolarHBondContact CA-OD2 3.46Å; H153-D224 PolarHBondContact N-OD1 3.33Å; H153-D224 PolarHBondContact N-OD2 3.19Å; R154-D224 PolarHBondContact N-OD1 3.02Å; E221-D224 WeakPolarHBondContact O-CB 3.46Å; E221-D224 PolarHBondContact O-N 2.71Å; R222-D224 PolarHBondContact O-N 3.14Å; D224-W226 VanDerWaalsContact C-N 3.33Å; D224-S227 PolarHBondContact O-N 2.7Å; D224-L228 WeakPolarHBondContact O-CB 3.24Å; D224-L228 PolarHBondContact O-N 2.95Å
225I98.9Very high98.5Very high0 Ų020 Ų200%010%0.101CC..Hα-helixtrans-69-35.3178.2-54.6-62.6000110.9R222 T223 L228 G229 I279 R287 P288 V290 V293R222-I225 HydrophobicContact CB-CG1 4.5Å; R222-I225 WeakPolarHBondContact O-CB 3.41Å; R222-I225 PolarHBondContact O-N 2.99Å; T223-I225 VanDerWaalsContact C-N 3.27Å; T223-I225 PolarHBondContact O-N 3.45Å; I225-L228 HydrophobicContact CD1-CD2 4.34Å; I225-L228 WeakPolarHBondContact O-CB 3.15Å; I225-L228 PolarHBondContact O-N 3.06Å; I225-G229 PolarHBondContact O-N 3.05Å; I225-I279 HydrophobicContact CG2-CB 3.84Å; I225-I279 HydrophobicContact CG2-CG2 4.07Å; I225-R287 HydrophobicContact CB-CG 4.18Å; I225-R287 HydrophobicContact CG2-CG 3.77Å; I225-P288 WeakPolarHBondContact CG2-O 3.48Å; I225-V290 HydrophobicContact CD1-CB 3.77Å; I225-V290 HydrophobicContact CD1-CG2 4.47Å; I225-V293 HydrophobicContact CG2-CG2 4.48Å
226W98.8Very high98.5Very high0 Ų018.4 Ų18.40%09%0.089CC..Hα-helixtrans-62.8-51.9170.1176.6-89.2000111.3R206 A207 P208 R222 T223 D224 L228 G229 C230 Y242 V256 M280R206-W226 PolarHBondContact O-NE1 3Å; R206-W226 VanDerWaalsContact O-NE1 3.14Å; A207-W226 VanDerWaalsContact CA-CD1 3.48Å; A207-W226 HydrophobicContact CB-CB 3.83Å; A207-W226 HydrophobicContact CB-CG 3.97Å; P208-W226 VanDerWaalsContact CD-CD2 3.44Å; P208-W226 HydrophobicContact CG-CD2 4.13Å; P208-W226 HydrophobicContact CG-CE3 3.96Å; P208-W226 HydrophobicContact CG-CH2 3.64Å; P208-W226 HydrophobicContact CG-CZ2 3.81Å; P208-W226 HydrophobicContact CG-CZ3 3.72Å; R222-W226 PolarHBondContact O-N 3.13Å; T223-W226 WeakPolarHBondContact O-CB 3.24Å; T223-W226 PolarHBondContact O-N 3.08Å; D224-W226 VanDerWaalsContact C-N 3.33Å; W226-L228 PolarHBondContact O-N 2.89Å; W226-G229 WeakPolarHBondContact O-CA 3.36Å; W226-G229 PolarHBondContact O-N 2.77Å; W226-C230 PolarHBondContact O-N 2.77Å; W226-Y242 WeakPolarHBondContact CH2-OH 3.46Å; W226-Y242 AromaticContact CZ2-CE2 3.64Å; W226-Y242 HydrophobicContact CZ2-CE2 3.64Å; W226-Y242 AromaticContact CZ2-CZ 3.72Å; W226-Y242 WeakPolarHBondContact CZ2-OH 3.32Å; W226-V256 HydrophobicContact CH2-CB 4.27Å; W226-V256 VanDerWaalsContact CH2-O 3.29Å; W226-V256 WeakPolarHBondContact CH2-O 3.48Å; W226-V256 HydrophobicContact CZ2-CB 3.74Å; W226-V256 HydrophobicContact CZ2-CG1 4Å; W226-M280 HydrophobicContact CH2-CE 4.34Å; W226-M280 HydrophobicContact CZ2-CE 4.14Å; W226-M280 HydrophobicContact CZ3-CB 4.45Å
227S98.8Very high98.4Very high5 Ų513.3 Ų13.34%0.0357%0.066CC..Hα-helixtrans-59.7-35.7178.5-53.50000111.9L156 Y205 T223 D224 G229 C230 V231L156-S227 WeakPolarHBondContact O-CB 3.18Å; Y205-S227 PolarHBondContact O-OG 3.44Å; T223-S227 PolarHBondContact O-N 3.36Å; T223-S227 PolarHBondContact O-OG 2.8Å; D224-S227 PolarHBondContact O-N 2.7Å; S227-G229 VanDerWaalsContact C-N 3.35Å; S227-C230 WeakPolarHBondContact O-CB 3.43Å; S227-C230 PolarHBondContact O-N 2.97Å; S227-V231 WeakPolarHBondContact O-CG2 3.41Å; S227-V231 PolarHBondContact O-N 3.31Å
228L98.9Very high98.4Very high0 Ų012.9 Ų12.90%06%0.062CC..Hα-helixtrans-62.6-40.6172.817967.8000111.3F136 I139 L143 L156 D224 I225 W226 V231 L232 V293F136-L228 HydrophobicContact CD2-CD1 3.94Å; F136-L228 HydrophobicContact CE2-CD1 3.26Å; F136-L228 HydrophobicContact CE2-CD2 4.24Å; F136-L228 HydrophobicContact CE2-CG 3.47Å; F136-L228 VanDerWaalsContact CE2-CG 3.47Å; F136-L228 HydrophobicContact CZ-CD1 3.81Å; F136-L228 HydrophobicContact CZ-CD2 3.9Å; F136-L228 HydrophobicContact CZ-CG 3.56Å; I139-L228 HydrophobicContact CB-CD1 4.37Å; I139-L228 HydrophobicContact CG2-CD1 3.45Å; I139-L228 VanDerWaalsContact CG2-CD1 3.45Å; L143-L228 HydrophobicContact CD1-CB 4.26Å; L143-L228 HydrophobicContact CD1-CD1 3.95Å; L143-L228 HydrophobicContact CD1-CD2 4.06Å; L143-L228 HydrophobicContact CD1-CG 4.32Å; L156-L228 HydrophobicContact CD2-CB 3.89Å; L156-L228 HydrophobicContact CD2-CD1 4.16Å; D224-L228 WeakPolarHBondContact O-CB 3.24Å; D224-L228 PolarHBondContact O-N 2.95Å; I225-L228 HydrophobicContact CD1-CD2 4.34Å; I225-L228 WeakPolarHBondContact O-CB 3.15Å; I225-L228 PolarHBondContact O-N 3.06Å; W226-L228 PolarHBondContact O-N 2.89Å; L228-V231 PolarHBondContact O-N 3.4Å; L228-L232 PolarHBondContact O-N 2.87Å; L228-V293 HydrophobicContact CD2-CG1 4.16Å
229G98.8Very high98.2Very high0 Ų014.2 Ų14.20%07%0.067CC..Hα-helixtrans-58.8-45.717000000112.8I225 W226 S227 V231 L232 Y233 L276I225-G229 PolarHBondContact O-N 3.05Å; W226-G229 WeakPolarHBondContact O-CA 3.36Å; W226-G229 PolarHBondContact O-N 2.77Å; S227-G229 VanDerWaalsContact C-N 3.35Å; G229-V231 VanDerWaalsContact C-N 3.31Å; G229-V231 PolarHBondContact O-N 3.44Å; G229-L232 PolarHBondContact O-N 3.34Å; G229-Y233 PolarHBondContact O-N 3.06Å; G229-L276 VanDerWaalsContact O-CD1 3.27Å; G229-L276 WeakPolarHBondContact O-CD1 3.29Å
230C98.8Very high98.1Very high0 Ų014.1 Ų14.10%07%0.067CC..Hα-helixtrans-60-40.2173.6-65.20000112.2Y205 W226 S227 Y233 C234 P241Y205-C230 HydrophobicContact CD1-CB 3.42Å; Y205-C230 VanDerWaalsContact CD1-CB 3.42Å; Y205-C230 HydrophobicContact CE1-CB 3.77Å; Y205-C230 HydrophobicContact CG-CB 4.36Å; W226-C230 PolarHBondContact O-N 2.77Å; S227-C230 WeakPolarHBondContact O-CB 3.43Å; S227-C230 PolarHBondContact O-N 2.97Å; C230-Y233 WeakPolarHBondContact O-CB 3.48Å; C230-Y233 PolarHBondContact O-N 3.08Å; C230-C234 PolarHBondContact O-N 2.98Å; C230-C234 PolarHBondContact O-SG 3.39Å; C230-P241 HydrophobicContact CB-CG 4.09Å
231V98.9Very high98Very high0 Ų014.2 Ų14.20%07%0.068CC..Hα-helixtrans-65.1-41.2175.6173.20000111.7L113 I139 L156 P158 S227 L228 G229 C234 M235L113-V231 HydrophobicContact CD2-CG1 3.9Å; I139-V231 HydrophobicContact CD1-CG1 3.95Å; L156-V231 HydrophobicContact CG-CG2 4.19Å; P158-V231 HydrophobicContact CG-CG2 4.28Å; S227-V231 WeakPolarHBondContact O-CG2 3.41Å; S227-V231 PolarHBondContact O-N 3.31Å; L228-V231 PolarHBondContact O-N 3.4Å; G229-V231 VanDerWaalsContact C-N 3.31Å; G229-V231 PolarHBondContact O-N 3.44Å; V231-C234 WeakPolarHBondContact O-CB 3.18Å; V231-C234 PolarHBondContact O-N 2.91Å; V231-M235 HydrophobicContact CG1-CE 4.28Å; V231-M235 PolarHBondContact O-N 3.05Å
232L98.9Very high98Very high0 Ų011.9 Ų11.90%06%0.057CC..Hα-helixtrans-61-46.4173.9179.255.7000111.2I132 F136 L228 G229 C234 M235 M236 L272 L275 L276 I279I132-L232 HydrophobicContact CG2-CD1 3.63Å; F136-L232 HydrophobicContact CD2-CB 4.12Å; F136-L232 HydrophobicContact CD2-CD1 4.24Å; F136-L232 HydrophobicContact CE1-CD2 4.2Å; F136-L232 HydrophobicContact CE2-CB 3.62Å; F136-L232 HydrophobicContact CE2-CD1 4.41Å; F136-L232 HydrophobicContact CE2-CD2 4.33Å; F136-L232 HydrophobicContact CE2-CG 4.33Å; F136-L232 HydrophobicContact CG-CD1 4.34Å; F136-L232 HydrophobicContact CZ-CB 4.06Å; F136-L232 HydrophobicContact CZ-CD2 3.98Å; F136-L232 HydrophobicContact CZ-CG 4.47Å; L228-L232 PolarHBondContact O-N 2.87Å; G229-L232 PolarHBondContact O-N 3.34Å; L232-C234 VanDerWaalsContact C-N 3.29Å; L232-C234 PolarHBondContact O-N 3.37Å; L232-M235 HydrophobicContact CD1-CE 4.18Å; L232-M235 PolarHBondContact O-N 2.05Å; L232-M235 VanDerWaalsContact O-N 3.12Å; L232-M236 HydrophobicContact CD1-CG 4.38Å; L232-M236 HydrophobicContact CD1-SD 4.19Å; L232-M236 HydrophobicContact CG-SD 3.99Å; L232-M236 WeakPolarHBondContact O-CG 3.48Å; L232-M236 PolarHBondContact O-N 2.79Å; L232-L272 HydrophobicContact CD1-CD1 3.97Å; L232-L272 HydrophobicContact CD2-CD1 4.46Å; L232-L275 HydrophobicContact CD2-CD2 4.36Å; L232-L275 HydrophobicContact CD2-CG 4.22Å; L232-L276 HydrophobicContact CB-CD1 4.18Å; L232-L276 HydrophobicContact CD2-CB 3.94Å; L232-L276 HydrophobicContact CD2-CD1 4.19Å; L232-L276 HydrophobicContact CG-CD1 4.19Å; L232-I279 HydrophobicContact CD2-CD1 4.24Å
233Y98.6Very high97.7Very high17 Ų1711.2 Ų11.27%0.0676%0.057CC..Hα-helixtrans-55.7-45.3174.6-172.6-76.3000111.1G229 C230 M235 M236 M237 E239 P241 V260 T261 L276G229-Y233 PolarHBondContact O-N 3.06Å; C230-Y233 WeakPolarHBondContact O-CB 3.48Å; C230-Y233 PolarHBondContact O-N 3.08Å; Y233-M235 VanDerWaalsContact C-N 3.32Å; Y233-M235 PolarHBondContact O-N 3.12Å; Y233-M236 PolarHBondContact O-N 2.97Å; Y233-M236 VanDerWaalsContact O-N 3.12Å; Y233-M237 HydrophobicContact CD1-CB 4.01Å; Y233-M237 HydrophobicContact CD1-CG 3.87Å; Y233-M237 HydrophobicContact CD2-CG 4.36Å; Y233-M237 HydrophobicContact CE1-CB 3.6Å; Y233-M237 HydrophobicContact CE1-CG 3.5Å; Y233-M237 VanDerWaalsContact CE1-CG 3.5Å; Y233-M237 HydrophobicContact CE2-CG 4.02Å; Y233-M237 HydrophobicContact CG-CG 4.28Å; Y233-M237 PolarHBondContact O-N 3.35Å; Y233-E239 VanDerWaalsContact CD1-O 3.23Å; Y233-E239 WeakPolarHBondContact CD1-O 3.32Å; Y233-E239 WeakPolarHBondContact CE1-O 3.48Å; Y233-P241 HydrophobicContact CD1-CB 3.79Å; Y233-P241 HydrophobicContact CD1-CG 4.1Å; Y233-P241 HydrophobicContact CD2-CB 3.92Å; Y233-P241 HydrophobicContact CE1-CB 3.94Å; Y233-P241 HydrophobicContact CE2-CB 4.07Å; Y233-P241 HydrophobicContact CG-CB 3.79Å; Y233-P241 HydrophobicContact CG-CG 4.03Å; Y233-V260 HydrophobicContact CD2-CG2 3.67Å; Y233-V260 HydrophobicContact CE2-CG2 3.74Å; Y233-T261 WeakPolarHBondContact CE2-O 3.49Å; Y233-L276 HydrophobicContact CD2-CD2 3.89Å
234C98.3Very high97.4Very high0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-59-41.5177-66.20000112.4L117 P158 Y205 C230 V231 L232 M236 L238 E239 G240L117-C234 HydrophobicContact CD1-CB 3.78Å; P158-C234 HydrophobicContact CG-CB 3.77Å; Y205-C234 PolarHBondContact OH-SG 3.5Å; C230-C234 PolarHBondContact O-N 2.98Å; C230-C234 PolarHBondContact O-SG 3.39Å; V231-C234 WeakPolarHBondContact O-CB 3.18Å; V231-C234 PolarHBondContact O-N 2.91Å; L232-C234 VanDerWaalsContact C-N 3.29Å; L232-C234 PolarHBondContact O-N 3.37Å; C234-M236 VanDerWaalsContact C-N 3.3Å; C234-M236 PolarHBondContact O-N 3.49Å; C234-L238 WeakPolarHBondContact O-CA 3.49Å; C234-L238 PolarHBondContact O-N 3.18Å; C234-E239 WeakPolarHBondContact CA-O 3.21Å; C234-G240 WeakPolarHBondContact SG-CA 3.33Å
235M98.6Very high97.2Very high0 Ų017.3 Ų17.30%09%0.088CC..Hα-helixtrans-66.8-34177.5-69.9-172.2-69.700112.4L113 L117 M127 I132 I135 F136 V231 L232 Y233L113-M235 HydrophobicContact CD1-CG 4.18Å; L113-M235 HydrophobicContact CD1-SD 4.25Å; L113-M235 HydrophobicContact CD2-CG 3.99Å; L113-M235 HydrophobicContact CD2-SD 3.97Å; L117-M235 HydrophobicContact CD2-CG 4.33Å; M127-M235 HydrophobicContact SD-CB 4.34Å; M127-M235 HydrophobicContact SD-CG 4.36Å; M127-M235 HydrophobicContact SD-SD 4.35Å; I132-M235 HydrophobicContact CD1-CB 4.24Å; I132-M235 HydrophobicContact CG1-CB 4.13Å; I132-M235 HydrophobicContact CG2-CB 4.13Å; I132-M235 HydrophobicContact CG2-CE 4.01Å; I132-M235 HydrophobicContact CG2-SD 4.35Å; I135-M235 HydrophobicContact CB-SD 4.16Å; I135-M235 HydrophobicContact CG2-SD 3.74Å; F136-M235 HydrophobicContact CB-CE 3.92Å; F136-M235 HydrophobicContact CD2-CE 3.66Å; F136-M235 HydrophobicContact CG-CE 4.19Å; V231-M235 HydrophobicContact CG1-CE 4.28Å; V231-M235 PolarHBondContact O-N 3.05Å; L232-M235 HydrophobicContact CD1-CE 4.18Å; L232-M235 PolarHBondContact O-N 2.05Å; L232-M235 VanDerWaalsContact O-N 3.12Å; Y233-M235 VanDerWaalsContact C-N 3.32Å; Y233-M235 PolarHBondContact O-N 3.12Å
236M97.9Very high96.9Very high6 Ų622.8 Ų22.83%0.0311%0.112CC..Hα-helixtrans-73.8-49.4177.1-66.1169.67000111.4I132 L232 Y233 C234 Y268 L272 Q273 L276I132-M236 HydrophobicContact CD1-CG 4.18Å; L232-M236 HydrophobicContact CD1-CG 4.38Å; L232-M236 HydrophobicContact CD1-SD 4.19Å; L232-M236 HydrophobicContact CG-SD 3.99Å; L232-M236 WeakPolarHBondContact O-CG 3.48Å; L232-M236 PolarHBondContact O-N 2.79Å; Y233-M236 PolarHBondContact O-N 2.97Å; Y233-M236 VanDerWaalsContact O-N 3.12Å; C234-M236 VanDerWaalsContact C-N 3.3Å; C234-M236 PolarHBondContact O-N 3.49Å; M236-Y268 HydrophobicContact CB-CD2 3.96Å; M236-Y268 HydrophobicContact CB-CE2 3.75Å; M236-Y268 HydrophobicContact CE-CD2 4.08Å; M236-Y268 HydrophobicContact CE-CG 4.3Å; M236-Y268 HydrophobicContact CG-CD2 4.1Å; M236-Y268 HydrophobicContact CG-CE2 4.21Å; M236-Y268 HydrophobicContact CG-CG 4.44Å; M236-Y268 WeakPolarHBondContact O-CE2 3.44Å; M236-Y268 PolarHBondContact O-OH 3.38Å; M236-Y268 VanDerWaalsContact O-OH 3.1Å; M236-L272 HydrophobicContact CE-CD2 4.09Å; M236-L272 HydrophobicContact CE-CG 4.18Å; M236-L272 HydrophobicContact CG-CD2 3.84Å; M236-L272 HydrophobicContact SD-CD2 3.91Å; M236-L272 HydrophobicContact SD-CG 3.97Å; M236-Q273 HydrophobicContact CE-CG 4.09Å; M236-L276 HydrophobicContact CE-CD2 4.21Å; M236-L276 HydrophobicContact SD-CB 4.41Å; M236-L276 HydrophobicContact SD-CD2 3.81Å
237M96.1Very high96.7Very high39 Ų3929.7 Ų29.719%0.19214%0.144CC..Hα-helixtrans-103.7-8.2-166-52.9-53.6173.900114.4Y233 E239 I262 P263 C266Y233-M237 HydrophobicContact CD1-CB 4.01Å; Y233-M237 HydrophobicContact CD1-CG 3.87Å; Y233-M237 HydrophobicContact CD2-CG 4.36Å; Y233-M237 HydrophobicContact CE1-CB 3.6Å; Y233-M237 HydrophobicContact CE1-CG 3.5Å; Y233-M237 VanDerWaalsContact CE1-CG 3.5Å; Y233-M237 HydrophobicContact CE2-CG 4.02Å; Y233-M237 HydrophobicContact CG-CG 4.28Å; Y233-M237 PolarHBondContact O-N 3.35Å; M237-E239 HydrophobicContact CB-CG 4.25Å; M237-E239 PolarHBondContact O-N 3Å; M237-I262 HydrophobicContact CE-CG2 3.85Å; M237-P263 HydrophobicContact SD-CG 4.43Å; M237-C266 HydrophobicContact CE-CB 4.26Å
238L96.4Very high96.5Very high17 Ų1736 Ų369%0.08917%0.171CC..SBendtrans62.315.5-176.4-46.8179000114.8L117 L120 R121 S125 C234L117-L238 HydrophobicContact CB-CD2 4.29Å; L117-L238 HydrophobicContact CD2-CD2 3.73Å; L120-L238 HydrophobicContact CB-CD1 4.04Å; L120-L238 HydrophobicContact CB-CD2 4.18Å; L120-L238 HydrophobicContact CD1-CD2 4.26Å; R121-L238 HydrophobicContact CB-CB 4.21Å; R121-L238 HydrophobicContact CB-CD1 4.14Å; S125-L238 WeakPolarHBondContact O-CD1 3.44Å; C234-L238 WeakPolarHBondContact O-CA 3.49Å; C234-L238 PolarHBondContact O-N 3.18Å
239E94.8Very high96.2Very high93 Ų9339.3 Ų39.344%0.43521%0.205SC..SBendtrans-147.9153.917363.2178.6-169.300109.4Y233 C234 M237Y233-E239 VanDerWaalsContact CD1-O 3.23Å; Y233-E239 WeakPolarHBondContact CD1-O 3.32Å; Y233-E239 WeakPolarHBondContact CE1-O 3.48Å; C234-E239 WeakPolarHBondContact CA-O 3.21Å; M237-E239 HydrophobicContact CB-CG 4.25Å; M237-E239 PolarHBondContact O-N 3Å
240G96Very high96.1Very high3 Ų343.9 Ų43.93%0.03123%0.229CC..  trans-74.6149.9174.900000112.7C234 Y242 D243C234-G240 WeakPolarHBondContact SG-CA 3.33Å; G240-Y242 PolarHBondContact O-N 3.07Å; G240-Y242 VanDerWaalsContact O-N 3.08Å; G240-D243 VanDerWaalsContact CA-OD2 3.22Å; G240-D243 WeakPolarHBondContact CA-OD2 3.46Å; G240-D243 PolarHBondContact N-OD2 2.71Å; G240-D243 PolarHBondContact O-N 2.84Å
241P96.9Very high96Very high21 Ų2146.7 Ų46.714%0.13625%0.249CC..THydrogen-bonded Turntrans-63.5-21.6-174.723.2-30.9000113.5C230 Y233 V260 M280C230-P241 HydrophobicContact CB-CG 4.09Å; Y233-P241 HydrophobicContact CD1-CB 3.79Å; Y233-P241 HydrophobicContact CD1-CG 4.1Å; Y233-P241 HydrophobicContact CD2-CB 3.92Å; Y233-P241 HydrophobicContact CE1-CB 3.94Å; Y233-P241 HydrophobicContact CE2-CB 4.07Å; Y233-P241 HydrophobicContact CG-CB 3.79Å; Y233-P241 HydrophobicContact CG-CG 4.03Å; P241-V260 HydrophobicContact CB-CG2 4.12Å; P241-M280 HydrophobicContact CB-CE 4.36Å; P241-M280 HydrophobicContact CG-CE 3.98Å
242Y97.1Very high95.9Very high9 Ų947 Ų474%0.03525%0.251CS..THydrogen-bonded Turntrans-123.46.2-176.4-50-66.7000113.2S204 W226 G240 I245 F246 A255 V256 M280S204-Y242 WeakPolarHBondContact O-CD2 3.5Å; W226-Y242 WeakPolarHBondContact CH2-OH 3.46Å; W226-Y242 AromaticContact CZ2-CE2 3.64Å; W226-Y242 HydrophobicContact CZ2-CE2 3.64Å; W226-Y242 AromaticContact CZ2-CZ 3.72Å; W226-Y242 WeakPolarHBondContact CZ2-OH 3.32Å; G240-Y242 PolarHBondContact O-N 3.07Å; G240-Y242 VanDerWaalsContact O-N 3.08Å; Y242-I245 HydrophobicContact CD1-CD1 4.17Å; Y242-I245 PolarHBondContact O-N 3.36Å; Y242-F246 PolarHBondContact O-N 3.1Å; Y242-F246 VanDerWaalsContact O-N 3.08Å; Y242-A255 HydrophobicContact CD1-CB 4.06Å; Y242-A255 HydrophobicContact CE1-CB 4.37Å; Y242-V256 HydrophobicContact CD1-CG1 4.24Å; Y242-V256 HydrophobicContact CD2-CG1 4Å; Y242-V256 HydrophobicContact CE1-CG1 4.12Å; Y242-V256 HydrophobicContact CE2-CG1 3.9Å; Y242-V256 HydrophobicContact CG-CG1 4.18Å; Y242-M280 HydrophobicContact CE2-CE 3.73Å; Y242-M280 WeakPolarHBondContact OH-CE 3.41Å
243D93.6Very high95.7Very high24 Ų2448.6 Ų48.613%0.12826%0.264CS..Hα-helixtrans-66.6-43.6-176.4-72.6-16.1000111.5S204 G240 I245 F246 Q247S204-D243 WeakPolarHBondContact CB-OD1 3.29Å; S204-D243 PolarHBondContact OG-OD1 2.9Å; G240-D243 VanDerWaalsContact CA-OD2 3.22Å; G240-D243 WeakPolarHBondContact CA-OD2 3.46Å; G240-D243 PolarHBondContact N-OD2 2.71Å; G240-D243 PolarHBondContact O-N 2.84Å; D243-I245 VanDerWaalsContact C-N 3.32Å; D243-I245 PolarHBondContact O-N 3.25Å; D243-F246 PolarHBondContact O-N 3.43Å; D243-Q247 WeakPolarHBondContact O-CB 3.09Å; D243-Q247 VanDerWaalsContact O-CG 3.24Å; D243-Q247 WeakPolarHBondContact O-CG 3.4Å; D243-Q247 PolarHBondContact O-N 3.3Å
244L92.1Very high95.6Very high81 Ų8153.5 Ų53.542%0.42429%0.291SS..Hα-helixtrans-65.5-36.2178.4-174.163.8000112.3Q247 K248L244-Q247 PolarHBondContact O-N 3.13Å; L244-K248 HydrophobicContact CD1-CD 4.47Å; L244-K248 HydrophobicContact CD1-CG 4.47Å; L244-K248 HydrophobicContact CG-CD 4.2Å; L244-K248 WeakPolarHBondContact O-CB 3.33Å; L244-K248 WeakPolarHBondContact O-CG 3.29Å; L244-K248 PolarHBondContact O-N 3.07Å
245I94.1Very high95.5Very high48 Ų4854.4 Ų54.425%0.24630%0.298CS..Hα-helixtrans-62.7-48176.7-61.2-177.1000109.2Y242 D243 Q247 K248 G249 D250 V252 A255Y242-I245 HydrophobicContact CD1-CD1 4.17Å; Y242-I245 PolarHBondContact O-N 3.36Å; D243-I245 VanDerWaalsContact C-N 3.32Å; D243-I245 PolarHBondContact O-N 3.25Å; I245-Q247 PolarHBondContact O-N 3.29Å; I245-K248 PolarHBondContact O-N 3.02Å; I245-G249 PolarHBondContact O-N 3.23Å; I245-D250 HydrophobicContact CG2-CB 3.59Å; I245-D250 PolarHBondContact O-N 3.03Å; I245-V252 HydrophobicContact CG2-CG2 4.18Å; I245-A255 HydrophobicContact CD1-CB 3.39Å; I245-A255 HydrophobicContact CG2-CB 4.1Å
246F93.4Very high95.4Very high115 Ų11554.4 Ų54.450%0.50430%0.298SS..Hα-helixtrans-60.8-45.6175.9-180-114.7000112.3I203 Y242 D243 K248 G249 V252I203-F246 HydrophobicContact CD1-CD2 4.49Å; I203-F246 HydrophobicContact CG2-CD2 3.72Å; I203-F246 HydrophobicContact CG2-CE2 3.69Å; I203-F246 HydrophobicContact CG2-CG 4.22Å; I203-F246 HydrophobicContact CG2-CZ 4.16Å; Y242-F246 PolarHBondContact O-N 3.1Å; Y242-F246 VanDerWaalsContact O-N 3.08Å; D243-F246 PolarHBondContact O-N 3.43Å; F246-K248 VanDerWaalsContact C-N 3.3Å; F246-K248 PolarHBondContact O-N 3.07Å; F246-G249 PolarHBondContact O-N 3.43Å; F246-V252 HydrophobicContact CB-CG2 3.81Å; F246-V252 HydrophobicContact CD2-CG2 4.25Å
247Q93.3Very high95.2Very high145 Ų14558.6 Ų58.668%0.67832%0.318SS*.Hα-helixtrans-63.8-33.3179.8-72.4169.825.100113.2D243 L244 I245 G249D243-Q247 WeakPolarHBondContact O-CB 3.09Å; D243-Q247 VanDerWaalsContact O-CG 3.24Å; D243-Q247 WeakPolarHBondContact O-CG 3.4Å; D243-Q247 PolarHBondContact O-N 3.3Å; L244-Q247 PolarHBondContact O-N 3.13Å; I245-Q247 PolarHBondContact O-N 3.29Å; Q247-G249 VanDerWaalsContact C-N 3.25Å; Q247-G249 PolarHBondContact O-N 2.97Å
248K94.8Very high95Very high139 Ų13961.4 Ų61.460%0.60433%0.334SS*.Hα-helixtrans-76.9-10.1175.5-73.9177.8177.8178.20113.6L244 I245 F246 D250L244-K248 HydrophobicContact CD1-CD 4.47Å; L244-K248 HydrophobicContact CD1-CG 4.47Å; L244-K248 HydrophobicContact CG-CD 4.2Å; L244-K248 WeakPolarHBondContact O-CB 3.33Å; L244-K248 WeakPolarHBondContact O-CG 3.29Å; L244-K248 PolarHBondContact O-N 3.07Å; I245-K248 PolarHBondContact O-N 3.02Å; F246-K248 VanDerWaalsContact C-N 3.3Å; F246-K248 PolarHBondContact O-N 3.07Å; K248-D250 VanDerWaalsContact C-N 3.29Å
249G93.6Very high94.8Very high68 Ų6865.8 Ų65.870%0.70136%0.363SS*.THydrogen-bonded Turntrans77.614.8-174.400000113.7I245 F246 Q247I245-G249 PolarHBondContact O-N 3.23Å; F246-G249 PolarHBondContact O-N 3.43Å; Q247-G249 VanDerWaalsContact C-N 3.25Å; Q247-G249 PolarHBondContact O-N 2.97Å
250D95.5Very high94.8Very high97 Ų9762.4 Ų62.452%0.51935%0.349SS..  trans-75.8161.1174.7-69.6-33.9000110.7I245 K248 V252I245-D250 HydrophobicContact CG2-CB 3.59Å; I245-D250 PolarHBondContact O-N 3.03Å; K248-D250 VanDerWaalsContact C-N 3.29Å; D250-V252 PolarHBondContact O-N 2.94Å
251S96.6Very high94.6Very high59 Ų5967.5 Ų67.541%0.41338%0.38SS..  trans-75.2100.2-177-176.70000112.4A253 L254 A255S251-A253 PolarHBondContact O-N 2.82Å; S251-L254 PolarHBondContact O-N 2.79Å; S251-L254 WeakPolarHBondContact OG-CG 3.44Å; S251-L254 PolarHBondContact OG-N 3.15Å; S251-A255 PolarHBondContact O-N 3.12Å
252V96.9Very high94.4Very high5 Ų568.2 Ų68.23%0.0338%0.382CS..Hα-helixtrans-56.4-39.9170.5179.90000110.9I203 F211 I245 F246 D250 L254 A255 V256I203-V252 HydrophobicContact CD1-CB 4.4Å; I203-V252 HydrophobicContact CG1-CB 4.24Å; I203-V252 HydrophobicContact CG1-CG1 4.21Å; F211-V252 HydrophobicContact CZ-CG1 4.02Å; I245-V252 HydrophobicContact CG2-CG2 4.18Å; F246-V252 HydrophobicContact CB-CG2 3.81Å; F246-V252 HydrophobicContact CD2-CG2 4.25Å; D250-V252 PolarHBondContact O-N 2.94Å; V252-L254 PolarHBondContact O-N 2.68Å; V252-A255 PolarHBondContact O-N 2.95Å; V252-V256 HydrophobicContact CG1-CG1 3.97Å; V252-V256 WeakPolarHBondContact O-CG1 3.37Å; V252-V256 PolarHBondContact O-N 3.35Å
253A96Very high94.1Very high35 Ų3570 Ų7029%0.28940%0.395SS..Hα-helixtrans-59.3-32.3179.900000113.3F211 S251 V256 Q257F211-A253 HydrophobicContact CB-CB 4.25Å; F211-A253 HydrophobicContact CD1-CB 3.5Å; F211-A253 HydrophobicContact CE1-CB 3.98Å; F211-A253 HydrophobicContact CG-CB 3.99Å; S251-A253 PolarHBondContact O-N 2.82Å; A253-V256 WeakPolarHBondContact O-CG2 3.38Å; A253-Q257 WeakPolarHBondContact O-CG 3.14Å
254L95.6Very high93.8Very high120 Ų12075.1 Ų75.163%0.62843%0.432SS*.Hα-helixtrans-81.8-38.6173.2-66.8178000111.7S251 V252 V256 Q257 N258S251-L254 PolarHBondContact O-N 2.79Å; S251-L254 WeakPolarHBondContact OG-CG 3.44Å; S251-L254 PolarHBondContact OG-N 3.15Å; V252-L254 PolarHBondContact O-N 2.68Å; L254-V256 PolarHBondContact O-N 3.33Å; L254-Q257 WeakPolarHBondContact O-CB 3.35Å; L254-Q257 PolarHBondContact O-N 2.78Å; L254-N258 PolarHBondContact O-ND2 2.79Å; L254-N258 VanDerWaalsContact O-ND2 3.08Å
255A96.1Very high93.6Very high18 Ų1877.2 Ų77.215%0.14945%0.449CS..Hα-helixtrans-60.6-44.2-17900000112.5Y242 I245 S251 V252 Q257 N258Y242-A255 HydrophobicContact CD1-CB 4.06Å; Y242-A255 HydrophobicContact CE1-CB 4.37Å; I245-A255 HydrophobicContact CD1-CB 3.39Å; I245-A255 HydrophobicContact CG2-CB 4.1Å; S251-A255 PolarHBondContact O-N 3.12Å; V252-A255 PolarHBondContact O-N 2.95Å; A255-Q257 PolarHBondContact O-N 3.27Å; A255-Q257 VanDerWaalsContact O-N 3.13Å; A255-N258 PolarHBondContact O-N 2.88Å
256V96.4Very high93.5Very high0 Ų076 Ų760%044%0.444CS..THydrogen-bonded Turntrans-65.7-14.2-179.3-59.90000113.8P208 F211 W226 Y242 V252 A253 L254 N258 S282P208-V256 HydrophobicContact CB-CG2 4.22Å; P208-V256 HydrophobicContact CG-CB 4.08Å; P208-V256 HydrophobicContact CG-CG2 4.12Å; P208-V256 WeakPolarHBondContact CG-O 3.35Å; F211-V256 HydrophobicContact CD2-CG2 3.83Å; F211-V256 HydrophobicContact CE2-CG1 4.22Å; F211-V256 HydrophobicContact CE2-CG2 3.78Å; W226-V256 HydrophobicContact CH2-CB 4.27Å; W226-V256 VanDerWaalsContact CH2-O 3.29Å; W226-V256 WeakPolarHBondContact CH2-O 3.48Å; W226-V256 HydrophobicContact CZ2-CB 3.74Å; W226-V256 HydrophobicContact CZ2-CG1 4Å; Y242-V256 HydrophobicContact CD1-CG1 4.24Å; Y242-V256 HydrophobicContact CD2-CG1 4Å; Y242-V256 HydrophobicContact CE1-CG1 4.12Å; Y242-V256 HydrophobicContact CE2-CG1 3.9Å; Y242-V256 HydrophobicContact CG-CG1 4.18Å; V252-V256 HydrophobicContact CG1-CG1 3.97Å; V252-V256 WeakPolarHBondContact O-CG1 3.37Å; V252-V256 PolarHBondContact O-N 3.35Å; A253-V256 WeakPolarHBondContact O-CG2 3.38Å; L254-V256 PolarHBondContact O-N 3.33Å; V256-N258 VanDerWaalsContact C-N 3.29Å; V256-S282 PolarHBondContact O-OG 3.28Å
257Q93.9Very high93.5Very high94 Ų9475.5 Ų75.544%0.43945%0.454SS..THydrogen-bonded Turntrans-77-20.5174.9-57-58.4-32.200112.1A253 L254 A255 S282A253-Q257 WeakPolarHBondContact O-CG 3.14Å; L254-Q257 WeakPolarHBondContact O-CB 3.35Å; L254-Q257 PolarHBondContact O-N 2.78Å; A255-Q257 PolarHBondContact O-N 3.27Å; A255-Q257 VanDerWaalsContact O-N 3.13Å; Q257-S282 PolarHBondContact O-OG 3.25Å
258N92.8Very high93.7Very high99 Ų9969.5 Ų69.553%0.52943%0.426SS..SBendtrans-90.3151.4179.6-61.1-77.5000110.8L254 A255 V256L254-N258 PolarHBondContact O-ND2 2.79Å; L254-N258 VanDerWaalsContact O-ND2 3.08Å; A255-N258 PolarHBondContact O-N 2.88Å; V256-N258 VanDerWaalsContact C-N 3.29Å
259P92.1Very high93.8Very high109 Ų10965 Ų6571%0.70841%0.412SS*.PPolyproline II helixtrans-53.7142.7172.2-24.834.3000111.8T261P259-T261 PolarHBondContact O-N 3.17Å
260V93.3Very high93.9Very high21 Ų2167.8 Ų67.813%0.12741%0.411CS..PPolyproline II helixtrans-61.8132.8175.165.70000110.4Y233 P241 M280Y233-V260 HydrophobicContact CD2-CG2 3.67Å; Y233-V260 HydrophobicContact CE2-CG2 3.74Å; P241-V260 HydrophobicContact CB-CG2 4.12Å; V260-M280 HydrophobicContact CB-CB 4.21Å; V260-M280 HydrophobicContact CB-CE 3.94Å; V260-M280 HydrophobicContact CB-SD 3.84Å; V260-M280 HydrophobicContact CG1-CB 3.77Å; V260-M280 HydrophobicContact CG1-CG 4.35Å; V260-M280 HydrophobicContact CG1-SD 3.91Å; V260-M280 HydrophobicContact CG2-CE 3.93Å; V260-M280 HydrophobicContact CG2-SD 3.72Å
261T92.3Very high94Very high111 Ų11164.5 Ų64.568%0.68140%0.399SS*.PPolyproline II helixtrans-87118.5176.5-58.90000109.6Y233 P259Y233-T261 WeakPolarHBondContact CE2-O 3.49Å; P259-T261 PolarHBondContact O-N 3.17Å
262I93.4Very high94Very high36 Ų3661.7 Ų61.719%0.18538%0.38CS..PPolyproline II helixtrans-97.4123.8168.7-58.8175.6000107.5M237 S264 C266 Q273 L276M237-I262 HydrophobicContact CE-CG2 3.85Å; I262-S264 PolarHBondContact O-N 3.22Å; I262-C266 HydrophobicContact CG2-CB 3.77Å; I262-Q273 HydrophobicContact CD1-CB 4Å; I262-Q273 HydrophobicContact CD1-CG 4.43Å; I262-Q273 HydrophobicContact CG2-CG 4.3Å; I262-L276 HydrophobicContact CD1-CD2 3.78Å; I262-L276 HydrophobicContact CD1-CG 4.39Å; I262-L276 HydrophobicContact CG1-CD2 3.95Å
263P90.6Very high94.1Very high47 Ų4763.3 Ų63.331%0.30539%0.387SS..PPolyproline II helixtrans-57.2139.5178-25.234.4000111.8M237 T265 C266M237-P263 HydrophobicContact SD-CG 4.43Å; P263-T265 PolarHBondContact O-N 3.35Å; P263-T265 VanDerWaalsContact O-N 3.09Å; P263-C266 WeakPolarHBondContact O-CB 3.48Å; P263-C266 PolarHBondContact O-N 3.18Å
264S87.9Confident94.2Very high131 Ų13165.7 Ų65.792%0.91640%0.398SS*.THydrogen-bonded Turntrans-62.5-17.7176.255.20000113.5I262 C266I262-S264 PolarHBondContact O-N 3.22Å; S264-C266 VanDerWaalsContact C-N 3.3Å
265T87.3Confident94.3Very high125 Ų12560.2 Ų60.277%0.76737%0.37SS*.THydrogen-bonded Turntrans-852.3174.452.50000113.6P263 S267P263-T265 PolarHBondContact O-N 3.35Å; P263-T265 VanDerWaalsContact O-N 3.09Å; T265-S267 PolarHBondContact O-N 3.34Å
266C91.3Very high94.4Very high23 Ų2359.4 Ų59.416%0.15536%0.363CS..  trans-58123.1178.3-178.50000110.9M237 I262 P263 S264M237-C266 HydrophobicContact CE-CB 4.26Å; I262-C266 HydrophobicContact CG2-CB 3.77Å; P263-C266 WeakPolarHBondContact O-CB 3.48Å; P263-C266 PolarHBondContact O-N 3.18Å; S264-C266 VanDerWaalsContact C-N 3.3Å
267S93.4Very high94.5Very high103 Ų10362.1 Ų62.172%0.7238%0.382SS*.  trans-90.5-7.2-176.256.30000114.3T265T265-S267 PolarHBondContact O-N 3.34Å
268Y97.1Very high94.7Very high19 Ų1959.5 Ų59.58%0.07537%0.374CS..SBendtrans-76.1157.8179.8-62.1-79000112.1M127 E129 I132 M236 L272 Q273M127-Y268 VanDerWaalsContact O-CE1 3.31Å; M127-Y268 WeakPolarHBondContact O-CE1 3.43Å; M127-Y268 PolarHBondContact O-OH 3.04Å; M127-Y268 VanDerWaalsContact O-OH 3.14Å; E129-Y268 HydrophobicContact CB-CD1 4.1Å; I132-Y268 HydrophobicContact CD1-CD1 4.02Å; I132-Y268 HydrophobicContact CD1-CE1 3.32Å; M236-Y268 HydrophobicContact CB-CD2 3.96Å; M236-Y268 HydrophobicContact CB-CE2 3.75Å; M236-Y268 HydrophobicContact CE-CD2 4.08Å; M236-Y268 HydrophobicContact CE-CG 4.3Å; M236-Y268 HydrophobicContact CG-CD2 4.1Å; M236-Y268 HydrophobicContact CG-CE2 4.21Å; M236-Y268 HydrophobicContact CG-CG 4.44Å; M236-Y268 WeakPolarHBondContact O-CE2 3.44Å; M236-Y268 PolarHBondContact O-OH 3.38Å; M236-Y268 VanDerWaalsContact O-OH 3.1Å; Y268-L272 HydrophobicContact CD1-CD2 3.83Å; Y268-L272 HydrophobicContact CG-CD2 3.92Å; Y268-Q273 PolarHBondContact O-NE2 3.3Å
269S96.9Very high94.9Very high45 Ų4554.8 Ų54.832%0.31535%0.348SS..  trans-58.4149.9-177.877.30000112.8E129 G271 L272 Q273E129-S269 VanDerWaalsContact OE1-CB 3.24Å; E129-S269 WeakPolarHBondContact OE1-CB 3.42Å; E129-S269 PolarHBondContact OE1-OG 2.84Å; E129-S269 WeakPolarHBondContact OE2-CB 3.44Å; E129-S269 PolarHBondContact OE2-N 2.72Å; E129-S269 PolarHBondContact OE2-OG 2.97Å; S269-G271 PolarHBondContact O-N 2.88Å; S269-G271 VanDerWaalsContact O-N 3.13Å; S269-L272 PolarHBondContact O-N 3.07Å; S269-L272 VanDerWaalsContact O-N 3.07Å; S269-L272 PolarHBondContact OG-N 2.85Å; S269-L272 VanDerWaalsContact OG-N 3.17Å; S269-Q273 WeakPolarHBondContact O-CG 3.47Å; S269-Q273 PolarHBondContact O-N 3.02Å
270N96.1Very high95.2Very high127 Ų12749.9 Ų49.968%0.67932%0.316SS*.Hα-helixtrans-56.6-29.4173-70.6-22.3000112.1T274N270-T274 VanDerWaalsContact O-CB 3.23Å; N270-T274 WeakPolarHBondContact O-CB 3.39Å; N270-T274 PolarHBondContact O-N 3.28Å; N270-T274 PolarHBondContact O-OG1 3.2Å
271G97.4Very high95.3Very high27 Ų2750.5 Ų50.528%0.27832%0.32SS..Hα-helixtrans-64.3-46.8175.500000112.2S269 T274 L275S269-G271 PolarHBondContact O-N 2.88Å; S269-G271 VanDerWaalsContact O-N 3.13Å; G271-T274 PolarHBondContact O-N 2.63Å; G271-L275 WeakPolarHBondContact O-CB 3.4Å; G271-L275 PolarHBondContact O-N 3.48Å
272L98Very high95.5Very high0 Ų046.6 Ų46.60%030%0.297CS..Hα-helixtrans-65.7-41.5176.3-167.666.2000112.1E129 I132 L133 L232 M236 Y268 S269 T274 L275 L276E129-L272 HydrophobicContact CG-CD2 4.13Å; I132-L272 HydrophobicContact CD1-CD2 4.29Å; I132-L272 HydrophobicContact CG2-CD2 4.34Å; L133-L272 HydrophobicContact CD2-CD1 3.94Å; L232-L272 HydrophobicContact CD1-CD1 3.97Å; L232-L272 HydrophobicContact CD2-CD1 4.46Å; M236-L272 HydrophobicContact CE-CD2 4.09Å; M236-L272 HydrophobicContact CE-CG 4.18Å; M236-L272 HydrophobicContact CG-CD2 3.84Å; M236-L272 HydrophobicContact SD-CD2 3.91Å; M236-L272 HydrophobicContact SD-CG 3.97Å; Y268-L272 HydrophobicContact CD1-CD2 3.83Å; Y268-L272 HydrophobicContact CG-CD2 3.92Å; S269-L272 PolarHBondContact O-N 3.07Å; S269-L272 VanDerWaalsContact O-N 3.07Å; S269-L272 PolarHBondContact OG-N 2.85Å; S269-L272 VanDerWaalsContact OG-N 3.17Å; L272-T274 VanDerWaalsContact C-N 3.34Å; L272-T274 PolarHBondContact O-N 2.72Å; L272-L275 HydrophobicContact CD1-CD2 4.48Å; L272-L275 PolarHBondContact O-N 3Å; L272-L276 PolarHBondContact O-N 3.4Å
273Q98Very high95.6Very high40 Ų4048 Ų4819%0.18731%0.305CS..Hα-helixtrans-62.6-42.1176.5-64.9-177.446.700111.7M236 I262 Y268 S269 L276 S277M236-Q273 HydrophobicContact CE-CG 4.09Å; I262-Q273 HydrophobicContact CD1-CB 4Å; I262-Q273 HydrophobicContact CD1-CG 4.43Å; I262-Q273 HydrophobicContact CG2-CG 4.3Å; Y268-Q273 PolarHBondContact O-NE2 3.3Å; S269-Q273 WeakPolarHBondContact O-CG 3.47Å; S269-Q273 PolarHBondContact O-N 3.02Å; Q273-L276 WeakPolarHBondContact O-CB 3.38Å; Q273-L276 PolarHBondContact O-N 3.21Å; Q273-S277 PolarHBondContact O-N 2.87Å; Q273-S277 PolarHBondContact O-OG 2.96Å
274T97.5Very high95.9Very high85 Ų8546.9 Ų46.952%0.52130%0.298SS..Hα-helixtrans-65.2-43.7177-62.20000111N270 G271 L272 L276 S277 S278N270-T274 VanDerWaalsContact O-CB 3.23Å; N270-T274 WeakPolarHBondContact O-CB 3.39Å; N270-T274 PolarHBondContact O-N 3.28Å; N270-T274 PolarHBondContact O-OG1 3.2Å; G271-T274 PolarHBondContact O-N 2.63Å; L272-T274 VanDerWaalsContact C-N 3.34Å; L272-T274 PolarHBondContact O-N 2.72Å; T274-L276 VanDerWaalsContact C-N 3.31Å; T274-L276 PolarHBondContact O-N 2.76Å; T274-S277 PolarHBondContact O-N 2.95Å; T274-S278 PolarHBondContact O-N 3.44Å; T274-S278 PolarHBondContact O-OG 3.46Å
275L98.4Very high96.3Very high5 Ų546.2 Ų46.23%0.02628%0.28CS..Hα-helixtrans-55.5-47.2174.8175.958.3000111.5F136 L232 G271 L272 S278 I279 W292 V293 Q296 V297 L300F136-L275 HydrophobicContact CD1-CD2 4.41Å; F136-L275 HydrophobicContact CE1-CD2 4.02Å; L232-L275 HydrophobicContact CD2-CD2 4.36Å; L232-L275 HydrophobicContact CD2-CG 4.22Å; G271-L275 WeakPolarHBondContact O-CB 3.4Å; G271-L275 PolarHBondContact O-N 3.48Å; L272-L275 HydrophobicContact CD1-CD2 4.48Å; L272-L275 PolarHBondContact O-N 3Å; L275-S278 PolarHBondContact O-N 2.75Å; L275-I279 HydrophobicContact CD1-CG2 4.46Å; L275-I279 WeakPolarHBondContact O-CG1 3.48Å; L275-I279 PolarHBondContact O-N 3.44Å; L275-W292 HydrophobicContact CD1-CZ3 4.02Å; L275-V293 HydrophobicContact CD1-CG1 4.3Å; L275-Q296 HydrophobicContact CD1-CB 3.8Å; L275-Q296 HydrophobicContact CD1-CG 4.22Å; L275-V297 HydrophobicContact CD2-CG2 3.78Å; L275-L300 HydrophobicContact CB-CD1 4.38Å; L275-L300 HydrophobicContact CD2-CD1 3.95Å
276L98.6Very high96.7Very high0 Ų046.6 Ų46.60%027%0.273CS..Hα-helixtrans-58.4-50.1176.7175.763.7000111.7G229 L232 Y233 M236 I262 L272 Q273 T274 S278 I279 M280G229-L276 VanDerWaalsContact O-CD1 3.27Å; G229-L276 WeakPolarHBondContact O-CD1 3.29Å; L232-L276 HydrophobicContact CB-CD1 4.18Å; L232-L276 HydrophobicContact CD2-CB 3.94Å; L232-L276 HydrophobicContact CD2-CD1 4.19Å; L232-L276 HydrophobicContact CG-CD1 4.19Å; Y233-L276 HydrophobicContact CD2-CD2 3.89Å; M236-L276 HydrophobicContact CE-CD2 4.21Å; M236-L276 HydrophobicContact SD-CB 4.41Å; M236-L276 HydrophobicContact SD-CD2 3.81Å; I262-L276 HydrophobicContact CD1-CD2 3.78Å; I262-L276 HydrophobicContact CD1-CG 4.39Å; I262-L276 HydrophobicContact CG1-CD2 3.95Å; L272-L276 PolarHBondContact O-N 3.4Å; Q273-L276 WeakPolarHBondContact O-CB 3.38Å; Q273-L276 PolarHBondContact O-N 3.21Å; T274-L276 VanDerWaalsContact C-N 3.31Å; T274-L276 PolarHBondContact O-N 2.76Å; L276-S278 VanDerWaalsContact C-N 3.28Å; L276-S278 PolarHBondContact O-N 3.42Å; L276-I279 WeakPolarHBondContact O-CG1 3.4Å; L276-I279 PolarHBondContact O-N 3.02Å; L276-M280 HydrophobicContact CD1-CG 3.93Å; L276-M280 HydrophobicContact CD1-SD 3.6Å; L276-M280 HydrophobicContact CG-SD 4.38Å; L276-M280 PolarHBondContact O-N 3.43Å
277S97.6Very high97Very high58 Ų5845.8 Ų45.841%0.40627%0.267SS..Hα-helixtrans-63.2-31.9178.5-62.20000113.2Q273 T274 I279Q273-S277 PolarHBondContact O-N 2.87Å; Q273-S277 PolarHBondContact O-OG 2.96Å; T274-S277 PolarHBondContact O-N 2.95Å; S277-I279 VanDerWaalsContact C-N 3.34Å
278S97.9Very high97.3Very high38 Ų3842 Ų4227%0.26624%0.24SC..Hα-helixtrans-71.6-24.2177.8-630000114T274 L275 L276 V281 P288T274-S278 PolarHBondContact O-N 3.44Å; T274-S278 PolarHBondContact O-OG 3.46Å; L275-S278 PolarHBondContact O-N 2.75Å; L276-S278 VanDerWaalsContact C-N 3.28Å; L276-S278 PolarHBondContact O-N 3.42Å; S278-V281 WeakPolarHBondContact O-CG2 3.42Å; S278-P288 WeakPolarHBondContact O-CD 3.27Å
279I98.1Very high97.3Very high0 Ų042.6 Ų42.60%025%0.252CS..Hα-helixtrans-102.1-22.1-179.766.2-179.8000113.2F136 I225 L232 L275 L276 S277 V281 R287 P288 W292 V293F136-I279 HydrophobicContact CZ-CD1 3.81Å; I225-I279 HydrophobicContact CG2-CB 3.84Å; I225-I279 HydrophobicContact CG2-CG2 4.07Å; L232-I279 HydrophobicContact CD2-CD1 4.24Å; L275-I279 HydrophobicContact CD1-CG2 4.46Å; L275-I279 WeakPolarHBondContact O-CG1 3.48Å; L275-I279 PolarHBondContact O-N 3.44Å; L276-I279 WeakPolarHBondContact O-CG1 3.4Å; L276-I279 PolarHBondContact O-N 3.02Å; S277-I279 VanDerWaalsContact C-N 3.34Å; I279-V281 VanDerWaalsContact C-N 3.26Å; I279-V281 PolarHBondContact O-N 2.87Å; I279-R287 WeakPolarHBondContact O-CD 3.32Å; I279-R287 WeakPolarHBondContact O-CG 3.44Å; I279-P288 HydrophobicContact CG2-CG 3.9Å; I279-W292 HydrophobicContact CG2-CZ3 4.3Å; I279-V293 HydrophobicContact CG2-CG2 3.69Å
280M97.8Very high97.4Very high7 Ų740.9 Ų40.93%0.03424%0.239CC..  trans-90.155.6172.6-67.1-161.271.200112W226 P241 Y242 V260 L276W226-M280 HydrophobicContact CH2-CE 4.34Å; W226-M280 HydrophobicContact CZ2-CE 4.14Å; W226-M280 HydrophobicContact CZ3-CB 4.45Å; P241-M280 HydrophobicContact CB-CE 4.36Å; P241-M280 HydrophobicContact CG-CE 3.98Å; Y242-M280 HydrophobicContact CE2-CE 3.73Å; Y242-M280 WeakPolarHBondContact OH-CE 3.41Å; V260-M280 HydrophobicContact CB-CB 4.21Å; V260-M280 HydrophobicContact CB-CE 3.94Å; V260-M280 HydrophobicContact CB-SD 3.84Å; V260-M280 HydrophobicContact CG1-CB 3.77Å; V260-M280 HydrophobicContact CG1-CG 4.35Å; V260-M280 HydrophobicContact CG1-SD 3.91Å; V260-M280 HydrophobicContact CG2-CE 3.93Å; V260-M280 HydrophobicContact CG2-SD 3.72Å; L276-M280 HydrophobicContact CD1-CG 3.93Å; L276-M280 HydrophobicContact CD1-SD 3.6Å; L276-M280 HydrophobicContact CG-SD 4.38Å; L276-M280 PolarHBondContact O-N 3.43Å
281V96.7Very high97.5Very high34 Ų3436.2 Ų36.221%0.20622%0.222CC..  trans-102.5129.2176.6-179.80000109.6S278 I279 E286 R287S278-V281 WeakPolarHBondContact O-CG2 3.42Å; I279-V281 VanDerWaalsContact C-N 3.26Å; I279-V281 PolarHBondContact O-N 2.87Å; V281-E286 HydrophobicContact CG1-CB 3.87Å; V281-R287 PolarHBondContact O-NE 2.92Å; V281-R287 PolarHBondContact O-NH2 2.88Å
282S95.8Very high97.6Very high29 Ų2939.5 Ų39.520%0.20323%0.226CC..SBendtrans-66-41.1-174.5-470000112.7V256 Q257 P284 R287V256-S282 PolarHBondContact O-OG 3.28Å; Q257-S282 PolarHBondContact O-OG 3.25Å; S282-P284 VanDerWaalsContact O-CD 3.28Å; S282-P284 WeakPolarHBondContact O-CD 3.37Å; S282-R287 PolarHBondContact O-NH2 3.36Å
283N95.7Very high97.6Very high66 Ų6639.5 Ų39.535%0.35323%0.226SC..SBendtrans-73.5113.2174.5-178.1-0.5000110Q285 E286 R287N283-Q285 PolarHBondContact O-N 2.93Å; N283-Q285 WeakPolarHBondContact OD1-CB 3.38Å; N283-Q285 PolarHBondContact OD1-N 2.84Å; N283-E286 HydrophobicContact CB-CB 4.4Å; N283-E286 HydrophobicContact CB-CG 4.4Å; N283-E286 PolarHBondContact ND2-OE1 2.7Å; N283-E286 PolarHBondContact O-N 2.94Å; N283-E286 VanDerWaalsContact O-N 3.16Å; N283-R287 PolarHBondContact O-N 3.06Å
284P96.3Very high97.6Very high22 Ų2238.4 Ų38.414%0.14322%0.221CC..THydrogen-bonded Turntrans-63-26-18026.1-34.6000112.4E209 R222 S282 E286 R287E209-P284 HydrophobicContact CB-CG 4.21Å; E209-P284 HydrophobicContact CG-CG 4.29Å; R222-P284 VanDerWaalsContact CD-O 3.24Å; R222-P284 WeakPolarHBondContact CD-O 3.45Å; R222-P284 PolarHBondContact NE-O 2.87Å; R222-P284 PolarHBondContact NH1-O 2.92Å; S282-P284 VanDerWaalsContact O-CD 3.28Å; S282-P284 WeakPolarHBondContact O-CD 3.37Å; P284-E286 VanDerWaalsContact C-N 3.26Å; P284-E286 PolarHBondContact O-N 3.43Å; P284-R287 WeakPolarHBondContact O-CB 3.37Å; P284-R287 PolarHBondContact O-N 3.08Å; P284-R287 VanDerWaalsContact O-N 3.15Å
285Q95.6Very high97.7Very high117 Ų11738.8 Ų38.855%0.54722%0.22SC..THydrogen-bonded Turntrans-67.8-26.1179-60.6-53.1-36.500113.6R222 N283R222-Q285 VanDerWaalsContact NH1-CA 3.33Å; R222-Q285 PolarHBondContact NH1-O 2.78Å; R222-Q285 VanDerWaalsContact NH2-CD 3.28Å; R222-Q285 VanDerWaalsContact NH2-NE2 3.17Å; N283-Q285 PolarHBondContact O-N 2.93Å; N283-Q285 WeakPolarHBondContact OD1-CB 3.38Å; N283-Q285 PolarHBondContact OD1-N 2.84Å
286E96.9Very high97.7Very high134 Ų13441.7 Ų41.763%0.62623%0.233SC*.THydrogen-bonded Turntrans-92.2-11.9175.5-69.4166.6-146.700112.3V281 N283 P284V281-E286 HydrophobicContact CG1-CB 3.87Å; N283-E286 HydrophobicContact CB-CB 4.4Å; N283-E286 HydrophobicContact CB-CG 4.4Å; N283-E286 PolarHBondContact ND2-OE1 2.7Å; N283-E286 PolarHBondContact O-N 2.94Å; N283-E286 VanDerWaalsContact O-N 3.16Å; P284-E286 VanDerWaalsContact C-N 3.26Å; P284-E286 PolarHBondContact O-N 3.43Å
287R97.8Very high97.6Very high5 Ų541.7 Ų41.72%0.01923%0.233CC..SBendtrans-76.4129.2178.4-159.9-178.3-57.7141.85109.6E209 R222 I225 I279 V281 S282 N283 P284E209-R287 IonicContact OE1-CZ 2.81Å; E209-R287 IonicContact OE1-NH1 3.77Å; E209-R287 PolarHBondContact OE1-NH1 3.45Å; E209-R287 IonicContact OE1-NH2 3.7Å; E209-R287 IonicContact OE2-CZ 3.02Å; E209-R287 IonicContact OE2-NH1 3.65Å; E209-R287 PolarHBondContact OE2-NH1 3.15Å; E209-R287 IonicContact OE2-NH2 3.69Å; E209-R287 PolarHBondContact OE2-NH2 3.4Å; R222-R287 WeakPolarHBondContact CD-O 3.26Å; R222-R287 WeakPolarHBondContact O-CD 3.35Å; R222-R287 PolarHBondContact O-NH1 3.23Å; I225-R287 HydrophobicContact CB-CG 4.18Å; I225-R287 HydrophobicContact CG2-CG 3.77Å; I279-R287 WeakPolarHBondContact O-CD 3.32Å; I279-R287 WeakPolarHBondContact O-CG 3.44Å; V281-R287 PolarHBondContact O-NE 2.92Å; V281-R287 PolarHBondContact O-NH2 2.88Å; S282-R287 PolarHBondContact O-NH2 3.36Å; N283-R287 PolarHBondContact O-N 3.06Å; P284-R287 WeakPolarHBondContact O-CB 3.37Å; P284-R287 PolarHBondContact O-N 3.08Å; P284-R287 VanDerWaalsContact O-N 3.15Å
288P98.3Very high97.6Very high24 Ų2443.2 Ų43.216%0.15623%0.234CC..PPolyproline II helixtrans-70.8161.3-179.430.5-36.4000111.5I225 S278 I279 W292 V293I225-P288 WeakPolarHBondContact CG2-O 3.48Å; S278-P288 WeakPolarHBondContact O-CD 3.27Å; I279-P288 HydrophobicContact CG2-CG 3.9Å; P288-W292 HydrophobicContact CB-CB 4.07Å; P288-W292 HydrophobicContact CB-CD2 3.76Å; P288-W292 HydrophobicContact CB-CE3 3.52Å; P288-W292 HydrophobicContact CB-CG 4.01Å; P288-W292 HydrophobicContact CB-CZ3 4.23Å; P288-W292 HydrophobicContact CG-CD2 4.21Å; P288-W292 HydrophobicContact CG-CE3 3.48Å; P288-W292 VanDerWaalsContact CG-CE3 3.48Å; P288-W292 HydrophobicContact CG-CZ3 3.73Å; P288-V293 HydrophobicContact CG-CG2 4.4Å
289G98.5Very high97.5Very high32 Ų3243.7 Ų43.733%0.3323%0.234SC..PPolyproline II helixtrans-82.1165169.400000112.6G291 W292 V293G289-G291 PolarHBondContact O-N 3.13Å; G289-G291 VanDerWaalsContact O-N 3.15Å; G289-W292 PolarHBondContact O-N 2.84Å; G289-W292 VanDerWaalsContact O-N 3.13Å; G289-V293 PolarHBondContact O-N 2.82Å
290V98.6Very high97.5Very high8 Ų844.7 Ų44.75%0.04824%0.239CC..Hα-helixtrans-59.7-28.5-176.567.40000114C140 L143 K144 H147 I225 V293 L294C140-V290 HydrophobicContact CB-CG2 4.06Å; C140-V290 WeakPolarHBondContact O-CG2 3.46Å; L143-V290 HydrophobicContact CB-CG2 4.07Å; K144-V290 HydrophobicContact CB-CG1 3.82Å; K144-V290 HydrophobicContact CB-CG2 4.28Å; K144-V290 HydrophobicContact CG-CG1 4.29Å; H147-V290 HydrophobicContact CB-CG1 4.41Å; H147-V290 WeakPolarHBondContact ND1-CG1 3.43Å; I225-V290 HydrophobicContact CD1-CB 3.77Å; I225-V290 HydrophobicContact CD1-CG2 4.47Å; V290-V293 PolarHBondContact O-N 2.98Å; V290-L294 PolarHBondContact O-N 3.21Å
291G98.5Very high97.3Very high30 Ų3046.9 Ų46.931%0.30925%0.249SC..Hα-helixtrans-60.1-47.7175.300000112.4G289 V293 L294 D295G289-G291 PolarHBondContact O-N 3.13Å; G289-G291 VanDerWaalsContact O-N 3.15Å; G291-V293 VanDerWaalsContact C-N 3.32Å; G291-V293 PolarHBondContact O-N 2.82Å; G291-L294 WeakPolarHBondContact O-CB 3.47Å; G291-L294 PolarHBondContact O-N 3.29Å; G291-D295 PolarHBondContact O-N 3.12Å
292W98.6Very high97.1Very high95 Ų9549.5 Ų49.536%0.3627%0.269SS..Hα-helixtrans-62.9-40.2176.3178.792.8000111.6L275 I279 P288 G289 L294 D295 Q296L275-W292 HydrophobicContact CD1-CZ3 4.02Å; I279-W292 HydrophobicContact CG2-CZ3 4.3Å; P288-W292 HydrophobicContact CB-CB 4.07Å; P288-W292 HydrophobicContact CB-CD2 3.76Å; P288-W292 HydrophobicContact CB-CE3 3.52Å; P288-W292 HydrophobicContact CB-CG 4.01Å; P288-W292 HydrophobicContact CB-CZ3 4.23Å; P288-W292 HydrophobicContact CG-CD2 4.21Å; P288-W292 HydrophobicContact CG-CE3 3.48Å; P288-W292 VanDerWaalsContact CG-CE3 3.48Å; P288-W292 HydrophobicContact CG-CZ3 3.73Å; G289-W292 PolarHBondContact O-N 2.84Å; G289-W292 VanDerWaalsContact O-N 3.13Å; W292-L294 VanDerWaalsContact C-N 3.32Å; W292-L294 PolarHBondContact O-N 2.77Å; W292-D295 PolarHBondContact O-N 2.81Å; W292-Q296 HydrophobicContact CD2-CG 3.87Å; W292-Q296 HydrophobicContact CE3-CG 3.79Å; W292-Q296 HydrophobicContact CH2-CG 3.43Å; W292-Q296 VanDerWaalsContact CH2-CG 3.43Å; W292-Q296 HydrophobicContact CZ2-CG 3.49Å; W292-Q296 VanDerWaalsContact CZ2-CG 3.49Å; W292-Q296 HydrophobicContact CZ3-CG 3.57Å; W292-Q296 WeakPolarHBondContact O-CG 3.45Å; W292-Q296 PolarHBondContact O-N 3.46Å
293V98.8Very high96.7Very high0 Ų056.6 Ų56.60%029%0.291CS..Hα-helixtrans-60.4-43.2177.5-176.70000110.8F136 I225 L228 L275 I279 P288 G289 V290 G291 D295 Q296 V297F136-V293 HydrophobicContact CE1-CG1 3.66Å; F136-V293 HydrophobicContact CZ-CG1 4.08Å; I225-V293 HydrophobicContact CG2-CG2 4.48Å; L228-V293 HydrophobicContact CD2-CG1 4.16Å; L275-V293 HydrophobicContact CD1-CG1 4.3Å; I279-V293 HydrophobicContact CG2-CG2 3.69Å; P288-V293 HydrophobicContact CG-CG2 4.4Å; G289-V293 PolarHBondContact O-N 2.82Å; V290-V293 PolarHBondContact O-N 2.98Å; G291-V293 VanDerWaalsContact C-N 3.32Å; G291-V293 PolarHBondContact O-N 2.82Å; V293-D295 VanDerWaalsContact C-N 3.33Å; V293-D295 PolarHBondContact O-N 2.95Å; V293-Q296 PolarHBondContact O-N 3.02Å; V293-V297 VanDerWaalsContact O-CG2 3.27Å; V293-V297 WeakPolarHBondContact O-CG2 3.42Å; V293-V297 PolarHBondContact O-N 3.5Å
294L98.3Very high95.6Very high17 Ų1755.3 Ų55.39%0.08929%0.288CS..Hα-helixtrans-59.4-42175.6-80.4166.9000112.5R137 C140 K144 V290 G291 W292 V297 Q298R137-L294 HydrophobicContact CG-CD2 4.26Å; C140-L294 HydrophobicContact CB-CD1 4.48Å; C140-L294 HydrophobicContact CB-CD2 3.39Å; C140-L294 HydrophobicContact CB-CG 3.68Å; K144-L294 HydrophobicContact CB-CD1 4.04Å; K144-L294 HydrophobicContact CD-CD1 3.61Å; K144-L294 HydrophobicContact CG-CD1 4.43Å; V290-L294 PolarHBondContact O-N 3.21Å; G291-L294 WeakPolarHBondContact O-CB 3.47Å; G291-L294 PolarHBondContact O-N 3.29Å; W292-L294 VanDerWaalsContact C-N 3.32Å; W292-L294 PolarHBondContact O-N 2.77Å; L294-V297 PolarHBondContact O-N 2.68Å; L294-Q298 VanDerWaalsContact O-CG 3.31Å; L294-Q298 WeakPolarHBondContact O-CG 3.33Å; L294-Q298 PolarHBondContact O-N 3.1Å
295D98.3Very high93.7Very high94 Ų9460.3 Ų60.350%0.50332%0.32SS..Hα-helixtrans-64.1-42.9179-63.9-23.9000111.2G291 W292 V293 V297 Q298 D299G291-D295 PolarHBondContact O-N 3.12Å; W292-D295 PolarHBondContact O-N 2.81Å; V293-D295 VanDerWaalsContact C-N 3.33Å; V293-D295 PolarHBondContact O-N 2.95Å; D295-V297 PolarHBondContact O-N 3.15Å; D295-Q298 PolarHBondContact O-N 3.18Å; D295-D299 PolarHBondContact O-N 3.3Å
296Q98.4Very high91.4Very high65 Ų6561.8 Ų61.830%0.30433%0.332SS..Hα-helixtrans-62.6-42.3175.9-63.1-47.7-72.600112.2L275 W292 V293 Q298 D299 L300L275-Q296 HydrophobicContact CD1-CB 3.8Å; L275-Q296 HydrophobicContact CD1-CG 4.22Å; W292-Q296 HydrophobicContact CD2-CG 3.87Å; W292-Q296 HydrophobicContact CE3-CG 3.79Å; W292-Q296 HydrophobicContact CH2-CG 3.43Å; W292-Q296 VanDerWaalsContact CH2-CG 3.43Å; W292-Q296 HydrophobicContact CZ2-CG 3.49Å; W292-Q296 VanDerWaalsContact CZ2-CG 3.49Å; W292-Q296 HydrophobicContact CZ3-CG 3.57Å; W292-Q296 WeakPolarHBondContact O-CG 3.45Å; W292-Q296 PolarHBondContact O-N 3.46Å; V293-Q296 PolarHBondContact O-N 3.02Å; Q296-Q298 VanDerWaalsContact C-N 3.31Å; Q296-Q298 PolarHBondContact O-N 3.16Å; Q296-D299 PolarHBondContact O-N 3.06Å; Q296-L300 WeakPolarHBondContact O-CG 3.38Å; Q296-L300 PolarHBondContact O-N 2.99Å
297V97.8Very high88.9Confident0 Ų061.5 Ų61.50%034%0.339CS..Hα-helixtrans-63.7-40178.7174.30000111.1L133 F136 R137 L275 V293 L294 D295 L300 Q301L133-V297 HydrophobicContact CD2-CG1 4.17Å; F136-V297 HydrophobicContact CD1-CG2 3.51Å; F136-V297 HydrophobicContact CE1-CG2 3.84Å; R137-V297 HydrophobicContact CB-CG1 3.77Å; R137-V297 HydrophobicContact CG-CG1 4.42Å; L275-V297 HydrophobicContact CD2-CG2 3.78Å; V293-V297 VanDerWaalsContact O-CG2 3.27Å; V293-V297 WeakPolarHBondContact O-CG2 3.42Å; V293-V297 PolarHBondContact O-N 3.5Å; L294-V297 PolarHBondContact O-N 2.68Å; D295-V297 PolarHBondContact O-N 3.15Å; V297-L300 PolarHBondContact O-N 3.29Å; V297-Q301 WeakPolarHBondContact O-CB 3.29Å; V297-Q301 VanDerWaalsContact O-CG 3.31Å; V297-Q301 WeakPolarHBondContact O-CG 3.43Å; V297-Q301 PolarHBondContact O-N 3.01Å
298Q96.4Very high86.1Confident90 Ų9070 Ų7042%0.42138%0.379SS..Hα-helixtrans-65.4-41.7176.4-71.6173.336.500112L294 D295 Q296 Q301 S302L294-Q298 VanDerWaalsContact O-CG 3.31Å; L294-Q298 WeakPolarHBondContact O-CG 3.33Å; L294-Q298 PolarHBondContact O-N 3.1Å; D295-Q298 PolarHBondContact O-N 3.18Å; Q296-Q298 VanDerWaalsContact C-N 3.31Å; Q296-Q298 PolarHBondContact O-N 3.16Å; Q298-Q301 PolarHBondContact O-N 2.86Å; Q298-S302 PolarHBondContact O-N 3.46Å
299D97.2Very high83.3Confident49 Ų4973.7 Ų73.726%0.26240%0.402SS..Hα-helixtrans-60.8-46.5175176.564.6000111.3D295 Q296 Q301 S302 R303D295-D299 PolarHBondContact O-N 3.3Å; Q296-D299 PolarHBondContact O-N 3.06Å; D299-Q301 VanDerWaalsContact C-N 3.35Å; D299-Q301 PolarHBondContact O-N 3.49Å; D299-S302 PolarHBondContact O-N 3.45Å; D299-S302 VanDerWaalsContact O-N 3.13Å; D299-S302 PolarHBondContact O-OG 3.39Å; D299-R303 VanDerWaalsContact CG-NE 3.28Å; D299-R303 WeakPolarHBondContact O-CG 3.38Å; D299-R303 PolarHBondContact O-N 2.57Å; D299-R303 VanDerWaalsContact O-N 3.12Å; D299-R303 IonicContact OD1-CZ 3.26Å; D299-R303 VanDerWaalsContact OD1-CZ 3.26Å; D299-R303 IonicContact OD1-NE 2.9Å; D299-R303 PolarHBondContact OD1-NE 3.17Å; D299-R303 IonicContact OD1-NH2 2.87Å; D299-R303 PolarHBondContact OD1-NH2 3.23Å; D299-R303 IonicContact OD2-CZ 2.93Å; D299-R303 IonicContact OD2-NE 3.03Å; D299-R303 PolarHBondContact OD2-NE 2.75Å; D299-R303 IonicContact OD2-NH1 2.88Å; D299-R303 IonicContact OD2-NH2 2.8Å; D299-R303 PolarHBondContact OD2-NH2 3.02Å
300L97.1Very high80.1Confident21 Ų2178.8 Ų78.811%0.1142%0.421CS..Hα-helixtrans-61.1-40.2175.1-67.8175.3000112.8L133 L275 Q296 V297 S302 R303 S304L133-L300 HydrophobicContact CD1-CB 4.02Å; L133-L300 HydrophobicContact CD2-CB 4.05Å; L133-L300 HydrophobicContact CD2-CD1 4Å; L275-L300 HydrophobicContact CB-CD1 4.38Å; L275-L300 HydrophobicContact CD2-CD1 3.95Å; Q296-L300 WeakPolarHBondContact O-CG 3.38Å; Q296-L300 PolarHBondContact O-N 2.99Å; V297-L300 PolarHBondContact O-N 3.29Å; L300-S302 VanDerWaalsContact C-N 3.33Å; L300-S302 PolarHBondContact O-N 3.27Å; L300-R303 PolarHBondContact O-N 2.88Å; L300-S304 PolarHBondContact O-N 2.9Å; L300-S304 VanDerWaalsContact O-N 3.16Å; L300-S304 PolarHBondContact O-OG 3.06Å
301Q94.9Very high77.2Confident52 Ų5287.7 Ų87.724%0.24347%0.465CS..Hα-helixtrans-64.5-36.4175-75.5-175.7-34.200112.2L133 V297 Q298 D299 S304L133-Q301 HydrophobicContact CB-CG 3.87Å; L133-Q301 HydrophobicContact CD1-CG 4.1Å; L133-Q301 PolarHBondContact O-NE2 2.86Å; V297-Q301 WeakPolarHBondContact O-CB 3.29Å; V297-Q301 VanDerWaalsContact O-CG 3.31Å; V297-Q301 WeakPolarHBondContact O-CG 3.43Å; V297-Q301 PolarHBondContact O-N 3.01Å; Q298-Q301 PolarHBondContact O-N 2.86Å; D299-Q301 VanDerWaalsContact C-N 3.35Å; D299-Q301 PolarHBondContact O-N 3.49Å; Q301-S304 WeakPolarHBondContact O-CB 3.48Å; Q301-S304 PolarHBondContact O-N 2.85Å
302S91.8Very high74.3Confident89 Ų8996.1 Ų96.162%0.62251%0.51SS*.Hα-helixtrans-71.7-29.5179.576.80000113.5Q298 D299 L300Q298-S302 PolarHBondContact O-N 3.46Å; D299-S302 PolarHBondContact O-N 3.45Å; D299-S302 VanDerWaalsContact O-N 3.13Å; D299-S302 PolarHBondContact O-OG 3.39Å; L300-S302 VanDerWaalsContact C-N 3.33Å; L300-S302 PolarHBondContact O-N 3.27Å
303R86.6Confident73.1Confident178 Ų17896.2 Ų96.267%0.67252%0.517SS*.Hα-helixtrans-84.5-17.7178.3-65.7174-170-162.85.9113.2D299 L300 P305D299-R303 VanDerWaalsContact CG-NE 3.28Å; D299-R303 WeakPolarHBondContact O-CG 3.38Å; D299-R303 PolarHBondContact O-N 2.57Å; D299-R303 VanDerWaalsContact O-N 3.12Å; D299-R303 IonicContact OD1-CZ 3.26Å; D299-R303 VanDerWaalsContact OD1-CZ 3.26Å; D299-R303 IonicContact OD1-NE 2.9Å; D299-R303 PolarHBondContact OD1-NE 3.17Å; D299-R303 IonicContact OD1-NH2 2.87Å; D299-R303 PolarHBondContact OD1-NH2 3.23Å; D299-R303 IonicContact OD2-CZ 2.93Å; D299-R303 IonicContact OD2-NE 3.03Å; D299-R303 PolarHBondContact OD2-NE 2.75Å; D299-R303 IonicContact OD2-NH1 2.88Å; D299-R303 IonicContact OD2-NH2 2.8Å; D299-R303 PolarHBondContact OD2-NH2 3.02Å; L300-R303 PolarHBondContact O-N 2.88Å; R303-P305 WeakPolarHBondContact O-CD 3.35Å
304S73.4Confident71.8Confident40 Ų40101.3 Ų101.328%0.2855%0.545SS..SBendtrans-64.2118.7171.4-63.50000107.7L300 Q301 N306L300-S304 PolarHBondContact O-N 2.9Å; L300-S304 VanDerWaalsContact O-N 3.16Å; L300-S304 PolarHBondContact O-OG 3.06Å; Q301-S304 WeakPolarHBondContact O-CB 3.48Å; Q301-S304 PolarHBondContact O-N 2.85Å; S304-N306 PolarHBondContact O-N 3.08Å
305P56.8Low70.3Confident127 Ų127105.9 Ų105.983%0.82557%0.57SS**  trans-57.7113.1-177.720-29.7000109R303 T307R303-P305 WeakPolarHBondContact O-CD 3.35Å; P305-T307 PolarHBondContact O-N 2.89Å
306N47Very low68.7Low147 Ų147106.6 Ų106.679%0.78657%0.574SS**  trans-53.8132.5174.2-104.8-21.7000108.7S304 Q308S304-N306 PolarHBondContact O-N 3.08Å; N306-Q308 PolarHBondContact O-N 3.41Å
307T44.1Very low66.8Low128 Ų128109.3 Ų109.379%0.78559%0.591SS**  trans-5976.2159-37.70000108.6P305 T309P305-T307 PolarHBondContact O-N 2.89Å; T307-T309 VanDerWaalsContact C-N 3.33Å; T307-T309 PolarHBondContact O-N 3.45Å
308Q38.1Very low64.7Low183 Ų183116.5 Ų116.586%0.85563%0.63SS**  trans-7590.8159.3-90.2-172.7-6.600107.4N306N306-Q308 PolarHBondContact O-N 3.41Å
309T39.4Very low62.5Low103 Ų103118.4 Ų118.463%0.63265%0.645SS**  trans-177113.7159.890000104.8T307T307-T309 VanDerWaalsContact C-N 3.33Å; T307-T309 PolarHBondContact O-N 3.45Å
310N32.3Very low59.8Low138 Ų138123.8 Ų123.874%0.73867%0.674SS**  cis-149.1127.424.7-72.4-54.5000109.6
311M36.6Very low56.7Low196 Ų196132.3 Ų132.397%0.96672%0.721SS**  trans-93.1108.6135.5-84.4-162.7-7500106
312V39.3Very low53.2Low207 Ų207139.6 Ų139.6100%1.25577%0.765SS**  trans-145.80143-1750000106.5

Retrieved 312 of 312 residues in 371.1 ms (Link to these results)

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