A0A096LUN2_POEFO Loading...

Adenosine 5'-monophosphoramidase HINT3

AlphaFold DB , UniProt , Accession A0A096LUN2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 167 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
1M41.3Very low37.9Very low241 Ų241147.6 Ų147.6100%1.18787%0.871SS**  0114.50-67.9-77.9-160.100106.8
2A42.3Very low37.9Very low98 Ų98145.5 Ų145.581%0.8187%0.865SS**  trans57.3105.4171.400000117.6
3E33.1Very low37.8Very low203 Ų203144.5 Ų144.595%0.94986%0.86SS**  75.612266.6-67.5-159.4125.900115.3
4G32.8Very low37.6Very low74 Ų74139.1 Ų139.176%0.76385%0.85SS**  trans138.6112.5136.400000118.8
5Q34.5Very low37.6Very low197 Ų197138.8 Ų138.892%0.92185%0.848SS**  trans94.590.7142.9-58.4175-0.600119.4
6T41.4Very low37.7Very low142 Ų142140.4 Ų140.487%0.87185%0.851SS**  trans-118.3127.7150.146.70000109.1S8T6-S8 PolarHBondContact O-N 3.49Å
7S37.3Very low37.8Very low119 Ų119144.2 Ų144.283%0.83285%0.853SS**PPolyproline II helixtrans-59.2126.1-176.863.20000113.2
8S36.5Very low38.1Very low119 Ų119144.2 Ų144.283%0.83285%0.848SS**PPolyproline II helixtrans-84.7119.6166.421.90000110.2T6T6-S8 PolarHBondContact O-N 3.49Å
9Q37.8Very low38.6Very low179 Ų179142 Ų14284%0.83684%0.841SS**PPolyproline II helixtrans-81146.3159.9-69.4-173.4-6.100109.5
10P39Very low38.9Very low129 Ų129140.6 Ų140.684%0.83884%0.839SS**PPolyproline II helixtrans-78.2136.9-178.830.9-32.5000112.2
11V41.3Very low39.1Very low123 Ų123139.9 Ų139.975%0.74584%0.835SS**PPolyproline II helixtrans-63.8142167.91720000109.8T13V11-T13 PolarHBondContact O-N 3.21Å
12P38Very low39.5Very low122 Ų122132.8 Ų132.879%0.79281%0.807SS**  trans-69.3115.717427.7-31.7000110G14P12-G14 PolarHBondContact O-N 3.3Å
13T36.3Very low40.3Very low132 Ų132131.1 Ų131.181%0.8179%0.794SS**  trans-68.5114.9169.241.20000109.2V11 T15V11-T13 PolarHBondContact O-N 3.21Å; T13-T15 PolarHBondContact O-N 3.4Å
14G35.1Very low42.1Very low69 Ų69128 Ų12871%0.71179%0.788SS**  trans-55.9129.6168.900000110.1P12 D16P12-G14 PolarHBondContact O-N 3.3Å; G14-D16 PolarHBondContact O-N 3.26Å
15T37.2Very low44.4Very low135 Ų135126.1 Ų126.183%0.82877%0.769SS**  trans-69.3111.4169.3470000108.4T13 K17T13-T15 PolarHBondContact O-N 3.4Å; T15-K17 PolarHBondContact O-N 3.18Å; T15-K17 VanDerWaalsContact O-N 3.09Å
16D38.8Very low47.2Very low165 Ų165119.7 Ų119.788%0.88274%0.736SS**  trans-56.1113.2167.2-71-46.8000108.9G14 D18G14-D16 PolarHBondContact O-N 3.26Å; D16-D18 PolarHBondContact O-N 3.09Å
17K39.3Very low49.6Very low205 Ų205115.7 Ų115.789%0.89171%0.71SS**  trans-78.599.8177.7-156.4178.1-172.7-177.90106.3T15 S19T15-K17 PolarHBondContact O-N 3.18Å; T15-K17 VanDerWaalsContact O-N 3.09Å; K17-S19 PolarHBondContact O-N 3.03Å
18D43.5Very low52.3Low144 Ų144117.4 Ų117.477%0.7770%0.702SS**  trans-48.4124.8-178.9-174.321.3000111.8D16 S20D16-D18 PolarHBondContact O-N 3.09Å; D18-S20 PolarHBondContact O-N 3.26Å
19S47.5Very low55Low102 Ų102120.2 Ų120.271%0.71370%0.7SS**  trans-64.682.9-175.923.60000112.5K17 V21K17-S19 PolarHBondContact O-N 3.03Å; S19-V21 VanDerWaalsContact C-N 3.3Å; S19-V21 PolarHBondContact O-N 3.12Å; S19-V21 VanDerWaalsContact O-N 3.12Å
20S45.8Very low57.8Low113 Ų113112.1 Ų112.179%0.7966%0.662SS**  trans-83.571166.272.10000111D18 P22D18-S20 PolarHBondContact O-N 3.26Å; S20-P22 WeakPolarHBondContact O-CD 3.46Å
21V42.8Very low60.5Low126 Ų126109.6 Ų109.676%0.76464%0.641SS**  trans-84.4115.9159.9-177.20000106.1S19 A23S19-V21 VanDerWaalsContact C-N 3.3Å; S19-V21 PolarHBondContact O-N 3.12Å; S19-V21 VanDerWaalsContact O-N 3.12Å; V21-A23 PolarHBondContact O-N 3.23Å
22P48.7Very low63.2Low92 Ų92104.5 Ų104.560%0.59761%0.609SS**PPolyproline II helixtrans-57.9128.3174.6-17.729.3000108.6S20 V24S20-P22 WeakPolarHBondContact O-CD 3.46Å; P22-V24 PolarHBondContact O-N 3.24Å
23A58.5Low66Low64 Ų6498.7 Ų98.753%0.52957%0.571SS.*PPolyproline II helixtrans-50.5130167.800000108.4V21 G25 Y26V21-A23 PolarHBondContact O-N 3.23Å; A23-G25 PolarHBondContact O-N 3.23Å; A23-Y26 WeakPolarHBondContact O-CB 3.4Å; A23-Y26 PolarHBondContact O-N 3.17Å
24V71.2Confident68.8Low137 Ų13797 Ų9783%0.8355%0.55SS*.THydrogen-bonded Turntrans-55.9118.7-174.9176.80000109.2P22P22-V24 PolarHBondContact O-N 3.24Å
25G82.3Confident71.7Confident35 Ų3594.1 Ų94.136%0.36152%0.518SS..THydrogen-bonded Turntrans87.722.6-177.400000115.2A23 H72A23-G25 PolarHBondContact O-N 3.23Å; G25-H72 WeakPolarHBondContact O-CA 3.45Å; G25-H72 WeakPolarHBondContact O-CB 3.44Å; G25-H72 PolarHBondContact O-N 2.97Å
26Y91.8Very high74.5Confident61 Ų6187.9 Ų87.924%0.23948%0.48CS..  trans-107.2136.5171.1170.2-98000112A23 K28 C33 N37 E39A23-Y26 WeakPolarHBondContact O-CB 3.4Å; A23-Y26 PolarHBondContact O-N 3.17Å; Y26-K28 HydrophobicContact CE1-CB 3.72Å; Y26-C33 HydrophobicContact CD2-CB 3.67Å; Y26-C33 HydrophobicContact CE2-CB 3.8Å; Y26-N37 VanDerWaalsContact CD2-ND2 3.26Å; Y26-N37 WeakPolarHBondContact CD2-ND2 3.28Å; Y26-N37 HydrophobicContact CE2-CB 4.46Å; Y26-E39 WeakPolarHBondContact CE2-OE1 3.47Å; Y26-E39 VanDerWaalsContact CZ-OE1 3.22Å; Y26-E39 VanDerWaalsContact OH-CD 3.28Å; Y26-E39 PolarHBondContact OH-OE1 2.7Å; Y26-E39 PolarHBondContact OH-OE2 3.29Å
27D93.5Very high77.2Confident59 Ų5983.1 Ų83.132%0.31645%0.454SS..  trans-121.4113.3168.7179.84.7000110.9K29 C30 C33D27-K29 PolarHBondContact O-N 3.4Å; D27-K29 VanDerWaalsContact O-N 3.12Å; D27-K29 WeakPolarHBondContact OD1-CB 3.34Å; D27-K29 PolarHBondContact OD1-N 2.62Å; D27-C30 HydrophobicContact CB-CB 4.01Å; D27-C30 WeakPolarHBondContact O-CB 3.32Å; D27-C30 PolarHBondContact O-N 2.99Å; D27-C33 VanDerWaalsContact O-CB 3.28Å; D27-C33 WeakPolarHBondContact O-CB 3.46Å
28K93.1Very high79.7Confident154 Ų15478.3 Ų78.367%0.6744%0.439SS*.THydrogen-bonded Turntrans-59.9-20.3178.269.1-175.1-175.3-1780114.8Y26Y26-K28 HydrophobicContact CE1-CB 3.72Å
29K94.2Very high82.2Confident179 Ų17975.5 Ų75.578%0.77842%0.421SS*.THydrogen-bonded Turntrans-85.9-16.1175.8-63-178.6-179178.90112.3D27D27-K29 PolarHBondContact O-N 3.4Å; D27-K29 VanDerWaalsContact O-N 3.12Å; D27-K29 WeakPolarHBondContact OD1-CB 3.34Å; D27-K29 PolarHBondContact OD1-N 2.62Å
30C96Very high84.4Confident8 Ų873.6 Ų73.65%0.05440%0.401CS..  trans-83.5118.4178.5178.60000110.7D27 F32 C33 R34 H123D27-C30 HydrophobicContact CB-CB 4.01Å; D27-C30 WeakPolarHBondContact O-CB 3.32Å; D27-C30 PolarHBondContact O-N 2.99Å; C30-F32 VanDerWaalsContact C-N 3.26Å; C30-F32 PolarHBondContact O-N 3.07Å; C30-F32 PolarHBondContact SG-N 2.88Å; C30-F32 VanDerWaalsContact SG-N 3.44Å; C30-C33 HydrophobicContact CB-CB 3.88Å; C30-C33 WeakPolarHBondContact O-CB 3.49Å; C30-C33 PolarHBondContact O-N 3.12Å; C30-C33 PolarHBondContact SG-N 3.16Å; C30-R34 WeakPolarHBondContact O-CG 3.49Å; C30-R34 PolarHBondContact O-N 2.91Å; C30-R34 VanDerWaalsContact O-N 3.17Å; C30-H123 VanDerWaalsContact SG-CB 3.53Å; C30-H123 PolarHBondContact SG-ND1 2.84Å; C30-H123 VanDerWaalsContact SG-ND1 3.42Å
31I96.1Very high86.6Confident76 Ų7676.8 Ų76.839%0.3941%0.409SS..Hα-helixtrans-59.8-35177.5-166.9170.8000112.6R34 I35 M40 V121I31-R34 PolarHBondContact O-N 3.01Å; I31-I35 WeakPolarHBondContact O-CG1 3.4Å; I31-I35 PolarHBondContact O-N 3.19Å; I31-M40 HydrophobicContact CD1-CE 4.06Å; I31-M40 HydrophobicContact CD1-SD 4.34Å; I31-M40 HydrophobicContact CG1-CE 3.96Å; I31-M40 HydrophobicContact CG1-SD 3.58Å; I31-M40 VanDerWaalsContact CG1-SD 3.58Å; I31-V121 HydrophobicContact CG2-CG1 4.03Å; I31-V121 HydrophobicContact CG2-CG2 3.89Å
32F96.7Very high89.1Confident16 Ų1672.7 Ų72.77%0.0739%0.385CS..Hα-helixtrans-73.1-33.7177.8-64.6-11.1000112.7C30 R34 I35 V36 F54 L66 V68 V121 H123 H125C30-F32 VanDerWaalsContact C-N 3.26Å; C30-F32 PolarHBondContact O-N 3.07Å; C30-F32 PolarHBondContact SG-N 2.88Å; C30-F32 VanDerWaalsContact SG-N 3.44Å; F32-R34 VanDerWaalsContact C-N 3.28Å; F32-R34 PolarHBondContact O-N 3.37Å; F32-I35 HydrophobicContact CD1-CD1 4.11Å; F32-I35 PolarHBondContact O-N 3.45Å; F32-V36 WeakPolarHBondContact O-CB 3.26Å; F32-V36 VanDerWaalsContact O-CG2 3.25Å; F32-V36 WeakPolarHBondContact O-CG2 3.47Å; F32-V36 PolarHBondContact O-N 3.13Å; F32-F54 HydrophobicContact CD1-CE2 4.3Å; F32-F54 AromaticContact CD1-CZ 3.75Å; F32-F54 HydrophobicContact CD1-CZ 3.75Å; F32-F54 HydrophobicContact CE1-CE2 4.17Å; F32-F54 AromaticContact CE1-CZ 3.97Å; F32-F54 HydrophobicContact CE1-CZ 3.97Å; F32-F54 HydrophobicContact CG-CZ 4.14Å; F32-L66 HydrophobicContact CE1-CD1 4.22Å; F32-L66 HydrophobicContact CZ-CD1 3.81Å; F32-V68 HydrophobicContact CD2-CG1 3.99Å; F32-V68 HydrophobicContact CE2-CG1 4.45Å; F32-V121 HydrophobicContact CD1-CG1 4.35Å; F32-V121 HydrophobicContact CD2-CB 4.2Å; F32-V121 HydrophobicContact CD2-CG1 3.68Å; F32-V121 HydrophobicContact CE1-CG1 4.43Å; F32-V121 HydrophobicContact CE1-CG2 4.1Å; F32-V121 HydrophobicContact CE2-CB 3.72Å; F32-V121 HydrophobicContact CE2-CG1 3.75Å; F32-V121 HydrophobicContact CE2-CG2 4.15Å; F32-V121 HydrophobicContact CG-CG1 3.98Å; F32-V121 HydrophobicContact CZ-CB 3.9Å; F32-V121 HydrophobicContact CZ-CG1 4.14Å; F32-V121 HydrophobicContact CZ-CG2 3.78Å; F32-H123 HydrophobicContact CB-CB 4.14Å; F32-H123 HydrophobicContact CD2-CB 3.91Å; F32-H123 HydrophobicContact CG-CB 4.46Å; F32-H125 HydrophobicContact CD2-CB 4.27Å; F32-H125 HydrophobicContact CE2-CB 3.74Å; F32-H125 AromaticContact CE2-CG 3.63Å; F32-H125 AromaticContact CE2-ND1 3.57Å
33C96.8Very high91.4Very high0 Ų074.6 Ų74.60%039%0.386CS..Hα-helixtrans-59.9-42.3169.8-71.30000111.1Y26 D27 C30 V36 N37 H72Y26-C33 HydrophobicContact CD2-CB 3.67Å; Y26-C33 HydrophobicContact CE2-CB 3.8Å; D27-C33 VanDerWaalsContact O-CB 3.28Å; D27-C33 WeakPolarHBondContact O-CB 3.46Å; C30-C33 HydrophobicContact CB-CB 3.88Å; C30-C33 WeakPolarHBondContact O-CB 3.49Å; C30-C33 PolarHBondContact O-N 3.12Å; C30-C33 PolarHBondContact SG-N 3.16Å; C33-V36 PolarHBondContact O-N 2.78Å; C33-N37 WeakPolarHBondContact O-CB 3.38Å; C33-N37 PolarHBondContact O-N 3.02Å; C33-N37 VanDerWaalsContact O-N 3.13Å; C33-N37 PolarHBondContact O-ND2 3.17Å; C33-H72 PolarHBondContact SG-ND1 2.92Å
34R96.6Very high93.2Very high96 Ų9673.5 Ų73.536%0.36237%0.371SS..Hα-helixtrans-64.7-40.5177.5-62.7-175.762.1-149.8-9.2112.2C30 I31 F32 N37 N38 E39 M40C30-R34 WeakPolarHBondContact O-CG 3.49Å; C30-R34 PolarHBondContact O-N 2.91Å; C30-R34 VanDerWaalsContact O-N 3.17Å; I31-R34 PolarHBondContact O-N 3.01Å; F32-R34 VanDerWaalsContact C-N 3.28Å; F32-R34 PolarHBondContact O-N 3.37Å; R34-N37 PolarHBondContact O-N 3.3Å; R34-N38 PolarHBondContact O-N 3.26Å; R34-E39 HydrophobicContact CB-CB 4.13Å; R34-E39 WeakPolarHBondContact CG-OE2 3.34Å; R34-E39 IonicContact NE-OE2 3.95Å; R34-E39 PolarHBondContact NE-OE2 3.44Å; R34-E39 WeakPolarHBondContact O-CB 3.1Å; R34-E39 PolarHBondContact O-N 3.18Å; R34-M40 HydrophobicContact CB-CG 3.98Å; R34-M40 HydrophobicContact CB-SD 3.93Å
35I96.2Very high94.5Very high10 Ų1068 Ų685%0.05134%0.337CS..Hα-helixtrans-62.1-50.6174.1-68.7172.1000111.2I31 F32 N37 N38 M40 T42 L44 F54I31-I35 WeakPolarHBondContact O-CG1 3.4Å; I31-I35 PolarHBondContact O-N 3.19Å; F32-I35 HydrophobicContact CD1-CD1 4.11Å; F32-I35 PolarHBondContact O-N 3.45Å; I35-N37 PolarHBondContact O-N 3.3Å; I35-N38 PolarHBondContact O-N 3.49Å; I35-M40 HydrophobicContact CG1-CB 4.15Å; I35-M40 HydrophobicContact CG1-CG 4.39Å; I35-M40 HydrophobicContact CG1-SD 3.78Å; I35-T42 HydrophobicContact CD1-CG2 4.45Å; I35-T42 HydrophobicContact CG2-CG2 3.87Å; I35-L44 HydrophobicContact CG2-CD2 3.85Å; I35-F54 HydrophobicContact CD1-CD2 4.36Å; I35-F54 HydrophobicContact CD1-CE2 3.82Å; I35-F54 HydrophobicContact CD1-CZ 4.01Å; I35-F54 HydrophobicContact CG2-CD1 3.76Å; I35-F54 HydrophobicContact CG2-CD2 4.4Å; I35-F54 HydrophobicContact CG2-CE1 3.84Å; I35-F54 HydrophobicContact CG2-CE2 4.46Å; I35-F54 HydrophobicContact CG2-CG 4.06Å; I35-F54 HydrophobicContact CG2-CZ 4.21Å
36V95.6Very high95.2Very high3 Ų368.1 Ų68.12%0.01833%0.328CS..Hα-helixtrans-58-32.8-179.4167.10000112.7F32 C33 N38 R47 C52 V68 T70F32-V36 WeakPolarHBondContact O-CB 3.26Å; F32-V36 VanDerWaalsContact O-CG2 3.25Å; F32-V36 WeakPolarHBondContact O-CG2 3.47Å; F32-V36 PolarHBondContact O-N 3.13Å; C33-V36 PolarHBondContact O-N 2.78Å; V36-N38 VanDerWaalsContact C-N 3.34Å; V36-R47 PolarHBondContact O-NE 2.83Å; V36-R47 PolarHBondContact O-NH2 2.69Å; V36-R47 VanDerWaalsContact O-NH2 3.16Å; V36-C52 HydrophobicContact CG2-CB 3.84Å; V36-V68 HydrophobicContact CG2-CG2 3.7Å; V36-T70 HydrophobicContact CG1-CG2 4.09Å
37N93.9Very high95.4Very high65 Ų6571.4 Ų71.435%0.34834%0.34SS..THydrogen-bonded Turntrans-92.113.3179.8-70.5-74.6000113.7Y26 C33 R34 I35 E39Y26-N37 VanDerWaalsContact CD2-ND2 3.26Å; Y26-N37 WeakPolarHBondContact CD2-ND2 3.28Å; Y26-N37 HydrophobicContact CE2-CB 4.46Å; C33-N37 WeakPolarHBondContact O-CB 3.38Å; C33-N37 PolarHBondContact O-N 3.02Å; C33-N37 VanDerWaalsContact O-N 3.13Å; C33-N37 PolarHBondContact O-ND2 3.17Å; R34-N37 PolarHBondContact O-N 3.3Å; I35-N37 PolarHBondContact O-N 3.3Å; N37-E39 HydrophobicContact CB-CG 4.21Å; N37-E39 PolarHBondContact O-N 3.43Å
38N93.1Very high95.5Very high105 Ų10571.3 Ų71.356%0.56134%0.339SS*.THydrogen-bonded Turntrans57.229.6179.3-60.5-36.2000113.9R34 I35 V36 M40 L44R34-N38 PolarHBondContact O-N 3.26Å; I35-N38 PolarHBondContact O-N 3.49Å; V36-N38 VanDerWaalsContact C-N 3.34Å; N38-M40 VanDerWaalsContact C-N 3.26Å; N38-L44 WeakPolarHBondContact OD1-CD1 3.45Å
39E94.9Very high95.5Very high85 Ų8572.2 Ų72.240%0.39735%0.346SS..  trans-87.41.8175.6-58.2173.8-15300112.8Y26 R34 N37Y26-E39 WeakPolarHBondContact CE2-OE1 3.47Å; Y26-E39 VanDerWaalsContact CZ-OE1 3.22Å; Y26-E39 VanDerWaalsContact OH-CD 3.28Å; Y26-E39 PolarHBondContact OH-OE1 2.7Å; Y26-E39 PolarHBondContact OH-OE2 3.29Å; R34-E39 HydrophobicContact CB-CB 4.13Å; R34-E39 WeakPolarHBondContact CG-OE2 3.34Å; R34-E39 IonicContact NE-OE2 3.95Å; R34-E39 PolarHBondContact NE-OE2 3.44Å; R34-E39 WeakPolarHBondContact O-CB 3.1Å; R34-E39 PolarHBondContact O-N 3.18Å; N37-E39 HydrophobicContact CB-CG 4.21Å; N37-E39 PolarHBondContact O-N 3.43Å
40M93.7Very high95.6Very high62 Ų6267.3 Ų67.331%0.30533%0.328SS..SBendtrans-135.5149.2-178.6-63.4-170.261.600109.5I31 R34 I35 N38 T42I31-M40 HydrophobicContact CD1-CE 4.06Å; I31-M40 HydrophobicContact CD1-SD 4.34Å; I31-M40 HydrophobicContact CG1-CE 3.96Å; I31-M40 HydrophobicContact CG1-SD 3.58Å; I31-M40 VanDerWaalsContact CG1-SD 3.58Å; R34-M40 HydrophobicContact CB-CG 3.98Å; R34-M40 HydrophobicContact CB-SD 3.93Å; I35-M40 HydrophobicContact CG1-CB 4.15Å; I35-M40 HydrophobicContact CG1-CG 4.39Å; I35-M40 HydrophobicContact CG1-SD 3.78Å; N38-M40 VanDerWaalsContact C-N 3.26Å; M40-T42 PolarHBondContact O-N 2.93Å
41D93.3Very high95.7Very high179 Ų17966.9 Ų66.996%0.95733%0.325SS*.  trans-78.572.7176.5-16821.7000110.6
42T95.7Very high95.8Very high41 Ų4163.3 Ų63.325%0.25231%0.307SS..  trans-124.4121.4178.7-600000109I35 M40 L44 F54I35-T42 HydrophobicContact CD1-CG2 4.45Å; I35-T42 HydrophobicContact CG2-CG2 3.87Å; M40-T42 PolarHBondContact O-N 2.93Å; T42-L44 PolarHBondContact O-N 3.27Å; T42-F54 HydrophobicContact CG2-CB 3.81Å; T42-F54 HydrophobicContact CG2-CD2 4.05Å; T42-F54 HydrophobicContact CG2-CG 4.07Å
43E95.3Very high95.9Very high132 Ų13262.5 Ų62.562%0.61730%0.304SS*.  trans-64.9125.1172.8-174-168.6-171.300110.7F54 R55E43-F54 WeakPolarHBondContact O-CB 3.39Å; E43-R55 IonicContact OE2-NE 2.6Å
44L97.3Very high95.9Very high40 Ų4062.7 Ų62.721%0.20930%0.304CS..EExtended strand (participates in β ladder)trans-93.8121.9175.5-53.8-174.6000109.9I35 N38 T42 R47 C53 F54I35-L44 HydrophobicContact CG2-CD2 3.85Å; N38-L44 WeakPolarHBondContact OD1-CD1 3.45Å; T42-L44 PolarHBondContact O-N 3.27Å; L44-R47 HydrophobicContact CD1-CB 4.25Å; L44-R47 HydrophobicContact CD1-CG 4.32Å; L44-C53 CarbonylContact C-O 3.29Å; L44-F54 HydrophobicContact CD2-CB 4.01Å; L44-F54 HydrophobicContact CD2-CD1 4.35Å
45L97.8Very high96Very high23 Ų2362.9 Ų62.912%0.1231%0.305CS..EExtended strand (participates in β ladder)trans-79.3-25.3176.2-56.1-177000112C53 R55 Y65 V97L45-C53 PolarHBondContact N-O 3.37Å; L45-R55 HydrophobicContact CD1-CG 3.9Å; L45-R55 HydrophobicContact CD2-CG 4.34Å; L45-R55 HydrophobicContact CG-CG 4.34Å; L45-Y65 HydrophobicContact CD1-CD1 3.39Å; L45-Y65 HydrophobicContact CD1-CD2 4.36Å; L45-Y65 HydrophobicContact CD1-CE1 3.49Å; L45-Y65 VanDerWaalsContact CD1-CE1 3.49Å; L45-Y65 HydrophobicContact CD1-CE2 4.41Å; L45-Y65 HydrophobicContact CD1-CG 3.85Å; L45-V97 HydrophobicContact CB-CG1 3.89Å; L45-V97 HydrophobicContact CB-CG2 4.46Å; L45-V97 HydrophobicContact CD1-CG1 3.73Å; L45-V97 HydrophobicContact CG-CG1 4.48Å
46H98Very high96Very high37 Ų3763.8 Ų63.817%0.17131%0.31CS..EExtended strand (participates in β ladder)trans-154142.8175.3-178.688.3000109.8D48 C52 C53 V93 V97H46-D48 IonicContact CD2-OD2 3.54Å; H46-D48 IonicContact CE1-OD2 3.15Å; H46-D48 IonicContact NE2-OD2 3.73Å; H46-D48 PolarHBondContact NE2-OD2 2.92Å; H46-C52 CarbonylContact O-C 3.58Å; H46-C52 WeakPolarHBondContact O-CA 3.41Å; H46-C53 HydrophobicContact CB-CB 3.79Å; H46-C53 PolarHBondContact N-O 3.3Å; H46-C53 PolarHBondContact O-N 2.95Å; H46-V93 HydrophobicContact CB-CG1 4.2Å; H46-V97 HydrophobicContact CB-CG2 3.82Å
47R95.8Very high96Very high130 Ų13071 Ų7149%0.49135%0.347SS..EExtended strand (participates in β ladder)trans-152123.9171.4-171.6179.9-167.9-91.41.3109.6V36 L44V36-R47 PolarHBondContact O-NE 2.83Å; V36-R47 PolarHBondContact O-NH2 2.69Å; V36-R47 VanDerWaalsContact O-NH2 3.16Å; L44-R47 HydrophobicContact CD1-CB 4.25Å; L44-R47 HydrophobicContact CD1-CG 4.32Å
48D95.4Very high96Very high57 Ų5775.9 Ų75.931%0.30537%0.365SS..  trans-130-163.9166.76345.1000110H46 D50 I51H46-D48 IonicContact CD2-OD2 3.54Å; H46-D48 IonicContact CE1-OD2 3.15Å; H46-D48 IonicContact NE2-OD2 3.73Å; H46-D48 PolarHBondContact NE2-OD2 2.92Å; D48-D50 VanDerWaalsContact C-N 3.32Å; D48-D50 PolarHBondContact OD1-N 3.49Å; D48-I51 PolarHBondContact N-O 3.36Å; D48-I51 PolarHBondContact OD1-N 3.25Å
49E94.1Very high96Very high173 Ų17374.9 Ų74.981%0.80836%0.364SS*.SBendtrans-67.7-30.7-178.4-63.1-175.5178.200113T70E49-T70 PolarHBondContact O-OG1 3.43Å
50D95Very high95.9Very high75 Ų7571.1 Ų71.140%0.40135%0.349SS..SBendtrans-112.4-29.8-170-70.4-45.6000113.5D48 P69 T70D48-D50 VanDerWaalsContact C-N 3.32Å; D48-D50 PolarHBondContact OD1-N 3.49Å; D50-P69 CarbonylContact O-C 3.59Å; D50-P69 VanDerWaalsContact O-CA 3.27Å; D50-P69 WeakPolarHBondContact O-CA 3.25Å; D50-T70 WeakPolarHBondContact CA-OG1 3.25Å; D50-T70 PolarHBondContact O-N 3.26Å; D50-T70 PolarHBondContact O-OG1 3.07Å
51I98.1Very high96Very high0 Ų068.6 Ų68.60%034%0.337CS..EExtended strand (participates in β ladder)trans-131.7142.6-172.2-59.5-64.4000111.9D48 V67 V68 L86 Q89 M90 V93D48-I51 PolarHBondContact N-O 3.36Å; D48-I51 PolarHBondContact OD1-N 3.25Å; I51-V67 HydrophobicContact CG2-CG1 3.34Å; I51-V68 WeakPolarHBondContact CA-O 3.28Å; I51-L86 HydrophobicContact CD1-CD1 3.76Å; I51-Q89 HydrophobicContact CG1-CG 3.99Å; I51-M90 HydrophobicContact CD1-CG 3.72Å; I51-V93 HydrophobicContact CB-CG2 4.33Å; I51-V93 HydrophobicContact CG2-CB 4.1Å; I51-V93 HydrophobicContact CG2-CG1 3.85Å; I51-V93 HydrophobicContact CG2-CG2 3.96Å
52C98.3Very high96.1Very high0 Ų063.3 Ų63.30%031%0.313CS..EExtended strand (participates in β ladder)trans-125.7146.6170-1750000109.9V36 H46 V67 V68V36-C52 HydrophobicContact CG2-CB 3.84Å; H46-C52 CarbonylContact O-C 3.58Å; H46-C52 WeakPolarHBondContact O-CA 3.41Å; C52-V67 CarbonylContact O-C 3.47Å; C52-V67 WeakPolarHBondContact O-CA 3.46Å; C52-V68 HydrophobicContact CB-CG2 3.97Å; C52-V68 PolarHBondContact N-O 3.44Å; C52-V68 PolarHBondContact O-N 2.82Å
53C98.6Very high96.2Very high0 Ų063.4 Ų63.40%031%0.31CS..EExtended strand (participates in β ladder)trans-133.9135.8174.6-173.10000110.7L44 L45 H46 L66 V67 V93 V97L44-C53 CarbonylContact C-O 3.29Å; L45-C53 PolarHBondContact N-O 3.37Å; H46-C53 HydrophobicContact CB-CB 3.79Å; H46-C53 PolarHBondContact N-O 3.3Å; H46-C53 PolarHBondContact O-N 2.95Å; C53-L66 WeakPolarHBondContact CA-O 3.27Å; C53-V67 HydrophobicContact CB-CG2 4.23Å; C53-V93 HydrophobicContact CB-CG1 4.32Å; C53-V97 HydrophobicContact CB-CG2 4.11Å
54F98.4Very high96.3Very high4 Ų457.3 Ų57.32%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-148167.8178.353.5-88000111.1F32 I35 T42 E43 L44 Y65 L66 V68F32-F54 HydrophobicContact CD1-CE2 4.3Å; F32-F54 AromaticContact CD1-CZ 3.75Å; F32-F54 HydrophobicContact CD1-CZ 3.75Å; F32-F54 HydrophobicContact CE1-CE2 4.17Å; F32-F54 AromaticContact CE1-CZ 3.97Å; F32-F54 HydrophobicContact CE1-CZ 3.97Å; F32-F54 HydrophobicContact CG-CZ 4.14Å; I35-F54 HydrophobicContact CD1-CD2 4.36Å; I35-F54 HydrophobicContact CD1-CE2 3.82Å; I35-F54 HydrophobicContact CD1-CZ 4.01Å; I35-F54 HydrophobicContact CG2-CD1 3.76Å; I35-F54 HydrophobicContact CG2-CD2 4.4Å; I35-F54 HydrophobicContact CG2-CE1 3.84Å; I35-F54 HydrophobicContact CG2-CE2 4.46Å; I35-F54 HydrophobicContact CG2-CG 4.06Å; I35-F54 HydrophobicContact CG2-CZ 4.21Å; T42-F54 HydrophobicContact CG2-CB 3.81Å; T42-F54 HydrophobicContact CG2-CD2 4.05Å; T42-F54 HydrophobicContact CG2-CG 4.07Å; E43-F54 WeakPolarHBondContact O-CB 3.39Å; L44-F54 HydrophobicContact CD2-CB 4.01Å; L44-F54 HydrophobicContact CD2-CD1 4.35Å; F54-Y65 WeakPolarHBondContact O-CA 3.12Å; F54-L66 HydrophobicContact CD2-CB 4.38Å; F54-L66 HydrophobicContact CE2-CB 3.98Å; F54-L66 HydrophobicContact CE2-CD1 3.76Å; F54-L66 HydrophobicContact CE2-CG 4.39Å; F54-L66 HydrophobicContact CZ-CB 4.07Å; F54-L66 HydrophobicContact CZ-CD1 4.26Å; F54-L66 PolarHBondContact N-O 2.87Å; F54-L66 VanDerWaalsContact N-O 3.13Å; F54-L66 PolarHBondContact O-N 3.49Å; F54-V68 HydrophobicContact CE1-CG1 4.01Å; F54-V68 HydrophobicContact CE1-CG2 3.8Å; F54-V68 HydrophobicContact CZ-CG1 4.18Å
55R98Very high96.4Very high100 Ų10055.4 Ų55.438%0.37727%0.272SS..EExtended strand (participates in β ladder)trans-74.1140.1179.2-62.7179.3-171.9-84.7-6.4111.3E43 L45 Y65 H101E43-R55 IonicContact OE2-NE 2.6Å; L45-R55 HydrophobicContact CD1-CG 3.9Å; L45-R55 HydrophobicContact CD2-CG 4.34Å; L45-R55 HydrophobicContact CG-CG 4.34Å; R55-Y65 HydrophobicContact CG-CD1 4.14Å; R55-Y65 HydrophobicContact CG-CE1 4.16Å; R55-H101 PolarHBondContact NH2-CE1 3.16Å
56D96.6Very high96.4Very high29 Ų2954.7 Ų54.716%0.15527%0.268CS..  trans-69.4138.3168.4-167.8-68.8000110K58 H64 L66D56-K58 VanDerWaalsContact C-N 3.25Å; D56-K58 PolarHBondContact O-N 3.46Å; D56-K58 WeakPolarHBondContact OD1-CA 3.43Å; D56-K58 PolarHBondContact OD1-N 3.42Å; D56-K58 VanDerWaalsContact OD1-O 3.13Å; D56-H64 HydrophobicContact CB-CB 4.16Å; D56-H64 VanDerWaalsContact CB-ND1 3.3Å; D56-H64 WeakPolarHBondContact CB-ND1 3.39Å; D56-H64 PolarHBondContact N-O 2.73Å; D56-H64 IonicContact OD1-CE1 3.89Å; D56-H64 IonicContact OD1-ND1 3.4Å; D56-H64 IonicContact OD2-CE1 3.76Å; D56-H64 PolarHBondContact OD2-CE1 3.13Å; D56-H64 IonicContact OD2-ND1 2.73Å; D56-H64 IonicContact OD2-NE2 3.6Å; D56-L66 HydrophobicContact CB-CD1 4.34Å; D56-L66 HydrophobicContact CB-CD2 4.44Å; D56-L66 HydrophobicContact CB-CG 4.1Å
57I94.9Very high96.4Very high155 Ų15553 Ų5380%0.79526%0.26SS*.SBendtrans-72.2-21.8-177.293.8-179.6000112.2
58K93.1Very high96.6Very high166 Ų16646.8 Ų46.872%0.72224%0.237SC*.SBendtrans-124.174178-71.4179.1-176.11780108.6D56 G60D56-K58 VanDerWaalsContact C-N 3.25Å; D56-K58 PolarHBondContact O-N 3.46Å; D56-K58 WeakPolarHBondContact OD1-CA 3.43Å; D56-K58 PolarHBondContact OD1-N 3.42Å; D56-K58 VanDerWaalsContact OD1-O 3.13Å; K58-G60 PolarHBondContact O-N 3.09Å
59P94.6Very high96.7Very high84 Ų8444.3 Ų44.355%0.54522%0.224SC..  trans-59.8127.5-174.823.7-33.5000112H64P59-H64 HydrophobicContact CB-CB 3.87Å
60G93Very high96.8Very high7 Ų737.1 Ų37.17%0.07219%0.192CC..SBendtrans-91.5-13.4175.700000114.1K58 H64 M135 S139K58-G60 PolarHBondContact O-N 3.09Å; G60-H64 PolarHBondContact N-ND1 2.75Å; G60-H64 VanDerWaalsContact N-ND1 3.17Å; G60-M135 WeakPolarHBondContact O-CA 3.32Å; G60-M135 WeakPolarHBondContact O-CG 3.4Å; G60-S139 WeakPolarHBondContact CA-OG 3.2Å; G60-S139 VanDerWaalsContact O-CB 3.24Å; G60-S139 WeakPolarHBondContact O-CB 3.41Å; G60-S139 PolarHBondContact O-OG 3.05Å
61A95.4Very high96.8Very high8 Ų839.4 Ų39.47%0.06620%0.198CC..SBendtrans-141.6163.4175.800000108.4H63 L129 M135A61-H63 PolarHBondContact O-N 2.85Å; A61-L129 HydrophobicContact CB-CB 4.27Å; A61-L129 HydrophobicContact CB-CD2 4.06Å; A61-M135 HydrophobicContact CB-CE 4.32Å; A61-M135 HydrophobicContact CB-CG 3.94Å
62P95.6Very high96.7Very high68 Ų6842 Ų4244%0.44221%0.21SC..SBendtrans-52.5-39.4179.5-28.135.4000113.9P131 Q134P62-P131 HydrophobicContact CG-CG 4.23Å; P62-Q134 HydrophobicContact CG-CB 3.9Å
63H97.2Very high96.5Very high43 Ų4343.3 Ų43.320%0.19922%0.218CC..EExtended strand (participates in β ladder)trans-110.2105.2167.3-55.5-82.8000108.1A61 Y65 L98 V103 L129 A130A61-H63 PolarHBondContact O-N 2.85Å; H63-Y65 HydrophobicContact CB-CE1 4.35Å; H63-Y65 HydrophobicContact CB-CE2 3.97Å; H63-Y65 AromaticContact ND1-CZ 3.73Å; H63-Y65 PolarHBondContact ND1-OH 3.42Å; H63-L98 HydrophobicContact CB-CD2 3.92Å; H63-V103 WeakPolarHBondContact CD2-CG2 3.46Å; H63-V103 VanDerWaalsContact NE2-CG2 3.35Å; H63-V103 WeakPolarHBondContact NE2-CG2 3.46Å; H63-L129 CarbonylContact O-C 3.56Å; H63-L129 WeakPolarHBondContact O-CA 3.47Å; H63-A130 WeakPolarHBondContact CA-O 3.45Å; H63-A130 HydrophobicContact CB-CB 4.25Å; H63-A130 VanDerWaalsContact CB-O 3.29Å; H63-A130 WeakPolarHBondContact CB-O 3.32Å; H63-A130 PolarHBondContact CD2-O 3.25Å; H63-A130 PolarHBondContact N-O 2.78Å; H63-A130 PolarHBondContact O-N 2.84Å
64H97.8Very high96.3Very high4 Ų444.5 Ų44.52%0.01923%0.23CC..EExtended strand (participates in β ladder)trans-123.4106.8171.4-171.3-165.3000109D56 P59 G60 H127 V128 L129 Y143D56-H64 HydrophobicContact CB-CB 4.16Å; D56-H64 VanDerWaalsContact CB-ND1 3.3Å; D56-H64 WeakPolarHBondContact CB-ND1 3.39Å; D56-H64 PolarHBondContact N-O 2.73Å; D56-H64 IonicContact OD1-CE1 3.89Å; D56-H64 IonicContact OD1-ND1 3.4Å; D56-H64 IonicContact OD2-CE1 3.76Å; D56-H64 PolarHBondContact OD2-CE1 3.13Å; D56-H64 IonicContact OD2-ND1 2.73Å; D56-H64 IonicContact OD2-NE2 3.6Å; P59-H64 HydrophobicContact CB-CB 3.87Å; G60-H64 PolarHBondContact N-ND1 2.75Å; G60-H64 VanDerWaalsContact N-ND1 3.17Å; H64-H127 AromaticContact CE1-ND1 3.53Å; H64-H127 AromaticContact NE2-CE1 3.82Å; H64-H127 AromaticContact NE2-CG 3.75Å; H64-H127 AromaticContact NE2-ND1 2.84Å; H64-H127 PolarHBondContact NE2-ND1 3.42Å; H64-V128 WeakPolarHBondContact CA-O 3.45Å; H64-L129 HydrophobicContact CB-CD2 4.1Å; H64-L129 WeakPolarHBondContact CD2-CD2 3.4Å; H64-Y143 AromaticContact CE1-CZ 3.85Å; H64-Y143 PolarHBondContact CE1-OH 2.85Å
65Y98.5Very high96.1Very high1 Ų146.2 Ų46.20%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-118.2151.6-179.3-44.4-46.1000111L45 F54 R55 H63 V97 L98 H101 V128L45-Y65 HydrophobicContact CD1-CD1 3.39Å; L45-Y65 HydrophobicContact CD1-CD2 4.36Å; L45-Y65 HydrophobicContact CD1-CE1 3.49Å; L45-Y65 VanDerWaalsContact CD1-CE1 3.49Å; L45-Y65 HydrophobicContact CD1-CE2 4.41Å; L45-Y65 HydrophobicContact CD1-CG 3.85Å; F54-Y65 WeakPolarHBondContact O-CA 3.12Å; R55-Y65 HydrophobicContact CG-CD1 4.14Å; R55-Y65 HydrophobicContact CG-CE1 4.16Å; H63-Y65 HydrophobicContact CB-CE1 4.35Å; H63-Y65 HydrophobicContact CB-CE2 3.97Å; H63-Y65 AromaticContact ND1-CZ 3.73Å; H63-Y65 PolarHBondContact ND1-OH 3.42Å; Y65-V97 HydrophobicContact CD2-CG1 3.63Å; Y65-V97 HydrophobicContact CE2-CG1 3.65Å; Y65-V97 HydrophobicContact CG-CG1 4.28Å; Y65-L98 HydrophobicContact CD2-CD2 4.27Å; Y65-L98 HydrophobicContact CE2-CD2 3.8Å; Y65-L98 HydrophobicContact CE2-CG 4.38Å; Y65-H101 AromaticContact CZ-CD2 3.92Å; Y65-H101 WeakPolarHBondContact OH-CB 3.34Å; Y65-H101 PolarHBondContact OH-CD2 2.6Å; Y65-V128 HydrophobicContact CD2-CB 4.47Å; Y65-V128 HydrophobicContact CD2-CG1 4.25Å; Y65-V128 PolarHBondContact N-O 2.84Å; Y65-V128 PolarHBondContact O-N 2.85Å
66L98.5Very high95.7Very high8 Ų841.7 Ų41.74%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-112.6114.2174.5-59-178.5000108.2F32 C53 F54 D56 L126 H127F32-L66 HydrophobicContact CE1-CD1 4.22Å; F32-L66 HydrophobicContact CZ-CD1 3.81Å; C53-L66 WeakPolarHBondContact CA-O 3.27Å; F54-L66 HydrophobicContact CD2-CB 4.38Å; F54-L66 HydrophobicContact CE2-CB 3.98Å; F54-L66 HydrophobicContact CE2-CD1 3.76Å; F54-L66 HydrophobicContact CE2-CG 4.39Å; F54-L66 HydrophobicContact CZ-CB 4.07Å; F54-L66 HydrophobicContact CZ-CD1 4.26Å; F54-L66 PolarHBondContact N-O 2.87Å; F54-L66 VanDerWaalsContact N-O 3.13Å; F54-L66 PolarHBondContact O-N 3.49Å; D56-L66 HydrophobicContact CB-CD1 4.34Å; D56-L66 HydrophobicContact CB-CD2 4.44Å; D56-L66 HydrophobicContact CB-CG 4.1Å; L66-L126 WeakPolarHBondContact CA-O 3.35Å; L66-H127 WeakPolarHBondContact CD2-ND1 3.15Å
67V98.7Very high95.5Very high0 Ų046.1 Ų46.10%024%0.241CC..EExtended strand (participates in β ladder)trans-95.9126.3170.8-173.70000107.7I51 C52 C53 M90 V93 H125 L126 V128I51-V67 HydrophobicContact CG2-CG1 3.34Å; C52-V67 CarbonylContact O-C 3.47Å; C52-V67 WeakPolarHBondContact O-CA 3.46Å; C53-V67 HydrophobicContact CB-CG2 4.23Å; V67-M90 HydrophobicContact CG1-CB 3.96Å; V67-M90 HydrophobicContact CG1-CG 4.18Å; V67-M90 WeakPolarHBondContact O-CE 2.93Å; V67-V93 HydrophobicContact CG1-CB 4.22Å; V67-V93 HydrophobicContact CG1-CG1 4.08Å; V67-H125 CarbonylContact O-C 3.56Å; V67-H125 WeakPolarHBondContact O-CA 3.38Å; V67-L126 HydrophobicContact CB-CB 4.22Å; V67-L126 PolarHBondContact N-O 3.33Å; V67-L126 PolarHBondContact O-N 2.87Å; V67-V128 HydrophobicContact CG2-CG2 3.69Å
68V98.3Very high95.3Very high0 Ų042 Ų420%023%0.226CC..EExtended strand (participates in β ladder)trans-133.2146.9-175.7-53.10000110.5F32 V36 I51 C52 F54 H125F32-V68 HydrophobicContact CD2-CG1 3.99Å; F32-V68 HydrophobicContact CE2-CG1 4.45Å; V36-V68 HydrophobicContact CG2-CG2 3.7Å; I51-V68 WeakPolarHBondContact CA-O 3.28Å; C52-V68 HydrophobicContact CB-CG2 3.97Å; C52-V68 PolarHBondContact N-O 3.44Å; C52-V68 PolarHBondContact O-N 2.82Å; F54-V68 HydrophobicContact CE1-CG1 4.01Å; F54-V68 HydrophobicContact CE1-CG2 3.8Å; F54-V68 HydrophobicContact CZ-CG1 4.18Å; V68-H125 HydrophobicContact CG1-CB 3.68Å
69P97.7Very high95.3Very high5 Ų534.2 Ų34.23%0.03219%0.193CC..EExtended strand (participates in β ladder)trans-66145.6166.726.6-28.1000110.5D50 K71 V73 L86 H123 L124D50-P69 CarbonylContact O-C 3.59Å; D50-P69 VanDerWaalsContact O-CA 3.27Å; D50-P69 WeakPolarHBondContact O-CA 3.25Å; P69-K71 VanDerWaalsContact C-N 3.28Å; P69-K71 CarbonylContact C-O 3.58Å; P69-K71 WeakPolarHBondContact CB-O 3.27Å; P69-K71 WeakPolarHBondContact CG-O 3.45Å; P69-K71 PolarHBondContact O-N 2.93Å; P69-V73 HydrophobicContact CB-CG2 4.18Å; P69-V73 HydrophobicContact CG-CB 3.93Å; P69-V73 HydrophobicContact CG-CG2 3.77Å; P69-L86 HydrophobicContact CB-CD1 4.26Å; P69-H123 PolarHBondContact O-CE1 2.94Å; P69-H123 PolarHBondContact O-NE2 2.95Å; P69-L124 WeakPolarHBondContact CD-O 3.42Å; P69-L124 HydrophobicContact CG-CB 4.1Å; P69-L124 HydrophobicContact CG-CD2 4.45Å
70T96.4Very high95.3Very high23 Ų2333.7 Ų33.714%0.14119%0.185CC..SBendtrans-64.7-37.2176.153.20000111.2V36 E49 D50V36-T70 HydrophobicContact CG1-CG2 4.09Å; E49-T70 PolarHBondContact O-OG1 3.43Å; D50-T70 WeakPolarHBondContact CA-OG1 3.25Å; D50-T70 PolarHBondContact O-N 3.26Å; D50-T70 PolarHBondContact O-OG1 3.07Å
71K95.4Very high95.4Very high122 Ų12236.5 Ų36.553%0.5320%0.198SC..SBendtrans-79.6142.8169.4-64.1174.2-174.6162.20110.4P69 V73P69-K71 VanDerWaalsContact C-N 3.28Å; P69-K71 CarbonylContact C-O 3.58Å; P69-K71 WeakPolarHBondContact CB-O 3.27Å; P69-K71 WeakPolarHBondContact CG-O 3.45Å; P69-K71 PolarHBondContact O-N 2.93Å; K71-V73 PolarHBondContact O-N 3.28Å; K71-V73 VanDerWaalsContact O-N 3.09Å
72H96.1Very high95.4Very high56 Ų5643.4 Ų43.426%0.25923%0.229SC..  trans-65108.9173.7-168.391.9000109.8G25 C33 T122 H123G25-H72 WeakPolarHBondContact O-CA 3.45Å; G25-H72 WeakPolarHBondContact O-CB 3.44Å; G25-H72 PolarHBondContact O-N 2.97Å; C33-H72 PolarHBondContact SG-ND1 2.92Å; H72-T122 PolarHBondContact CE1-O 3.12Å; H72-T122 PolarHBondContact NE2-O 3.48Å; H72-H123 AromaticContact ND1-ND1 3.53Å
73V94.5Very high95.4Very high27 Ų2742.7 Ų42.716%0.16422%0.219CC..  trans-113.1141.1169.2-179.30000106.3P69 K71 L79 L86 H123 L124P69-V73 HydrophobicContact CB-CG2 4.18Å; P69-V73 HydrophobicContact CG-CB 3.93Å; P69-V73 HydrophobicContact CG-CG2 3.77Å; K71-V73 PolarHBondContact O-N 3.28Å; K71-V73 VanDerWaalsContact O-N 3.09Å; V73-L79 HydrophobicContact CG1-CD2 3.74Å; V73-L86 HydrophobicContact CG2-CD2 4.34Å; V73-H123 CarbonylContact O-C 3.51Å; V73-H123 WeakPolarHBondContact O-CA 3.23Å; V73-L124 HydrophobicContact CB-CB 4.06Å; V73-L124 HydrophobicContact CG1-CB 4.18Å; V73-L124 HydrophobicContact CG1-CD2 4.24Å; V73-L124 PolarHBondContact O-N 2.73Å
74G93.4Very high95.4Very high25 Ų2541.2 Ų41.226%0.25821%0.213SC..  trans-62.3-158178.300000113.4L124G74-L124 VanDerWaalsContact O-CA 3.27Å; G74-L124 WeakPolarHBondContact O-CA 3.46Å; G74-L124 VanDerWaalsContact O-CB 3.25Å; G74-L124 WeakPolarHBondContact O-CB 3.16Å; G74-L124 PolarHBondContact O-N 2.89Å
75N93.6Very high95.4Very high40 Ų4045.1 Ų45.121%0.21424%0.239CC..  trans-77.8172.1178.259.255.2000113K77 S78 P116N75-K77 PolarHBondContact O-N 3.31Å; N75-K77 VanDerWaalsContact O-N 3.1Å; N75-K77 VanDerWaalsContact OD1-CB 3.32Å; N75-K77 WeakPolarHBondContact OD1-CB 3.5Å; N75-K77 PolarHBondContact OD1-N 3.39Å; N75-K77 VanDerWaalsContact OD1-N 3.08Å; N75-S78 WeakPolarHBondContact O-CB 3.28Å; N75-S78 PolarHBondContact O-N 3.14Å; N75-S78 PolarHBondContact O-OG 2.65Å; N75-S78 PolarHBondContact OD1-N 3.47Å; N75-P116 HydrophobicContact CB-CG 3.72Å; N75-P116 WeakPolarHBondContact ND2-CG 3.36Å; N75-P116 WeakPolarHBondContact OD1-CG 3.3Å
76C91.4Very high95.3Very high4 Ų446.6 Ų46.63%0.02725%0.247CC..G310 helixtrans-57.6-26.4-18061.80000114.4S78 L79 F113 W115 L124 L156C76-S78 VanDerWaalsContact C-N 3.3Å; C76-S78 PolarHBondContact O-N 2.93Å; C76-L79 WeakPolarHBondContact O-CB 3.35Å; C76-L79 WeakPolarHBondContact O-CG 3.36Å; C76-L79 PolarHBondContact O-N 2.99Å; C76-F113 HydrophobicContact CB-CB 3.94Å; C76-F113 HydrophobicContact CB-CD1 4.25Å; C76-F113 HydrophobicContact CB-CG 4.06Å; C76-W115 VanDerWaalsContact SG-CE3 3.57Å; C76-L124 HydrophobicContact CB-CD1 4.14Å; C76-L156 HydrophobicContact CB-CD1 4.25Å; C76-L156 HydrophobicContact CB-CD2 3.79Å
77K91.1Very high95.3Very high122 Ų12246.2 Ų46.253%0.5325%0.245SC..G310 helixtrans-72.5-24.5178-169177.8-179.3-179.90112.5N75 L79 W115 P116N75-K77 PolarHBondContact O-N 3.31Å; N75-K77 VanDerWaalsContact O-N 3.1Å; N75-K77 VanDerWaalsContact OD1-CB 3.32Å; N75-K77 WeakPolarHBondContact OD1-CB 3.5Å; N75-K77 PolarHBondContact OD1-N 3.39Å; N75-K77 VanDerWaalsContact OD1-N 3.08Å; K77-L79 PolarHBondContact O-N 3.1Å; K77-W115 HydrophobicContact CB-CH2 4.3Å; K77-W115 HydrophobicContact CB-CZ2 4.26Å; K77-W115 HydrophobicContact CD-CZ2 4.23Å; K77-W115 HydrophobicContact CG-CH2 4.27Å; K77-W115 HydrophobicContact CG-CZ2 3.93Å; K77-P116 HydrophobicContact CB-CG 3.91Å
78S90.9Very high95.3Very high69 Ų6951.5 Ų51.548%0.48327%0.268SS..G310 helixtrans-78-8.3177.472.50000113.7N75 C76N75-S78 WeakPolarHBondContact O-CB 3.28Å; N75-S78 PolarHBondContact O-N 3.14Å; N75-S78 PolarHBondContact O-OG 2.65Å; N75-S78 PolarHBondContact OD1-N 3.47Å; C76-S78 VanDerWaalsContact C-N 3.3Å; C76-S78 PolarHBondContact O-N 2.93Å
79L94Very high95.3Very high3 Ų354.7 Ų54.72%0.01628%0.283CS..  trans-75152.4-178.8-55.9-175.7000112.5V73 C76 K77 H83 V87 L124 L156 L160 K163V73-L79 HydrophobicContact CG1-CD2 3.74Å; C76-L79 WeakPolarHBondContact O-CB 3.35Å; C76-L79 WeakPolarHBondContact O-CG 3.36Å; C76-L79 PolarHBondContact O-N 2.99Å; K77-L79 PolarHBondContact O-N 3.1Å; L79-H83 HydrophobicContact CB-CB 4.11Å; L79-H83 HydrophobicContact CD1-CB 4.44Å; L79-H83 HydrophobicContact CD2-CB 3.96Å; L79-H83 HydrophobicContact CG-CB 4.38Å; L79-V87 HydrophobicContact CD1-CG2 3.77Å; L79-L124 HydrophobicContact CD1-CD1 3.97Å; L79-L124 HydrophobicContact CD1-CD2 4.1Å; L79-L124 HydrophobicContact CD2-CD2 4.19Å; L79-L156 HydrophobicContact CD1-CD2 4.13Å; L79-L160 HydrophobicContact CB-CD1 4.02Å; L79-L160 HydrophobicContact CB-CD2 3.86Å; L79-L160 HydrophobicContact CD1-CD1 4.43Å; L79-L160 VanDerWaalsContact O-CD2 3.28Å; L79-L160 WeakPolarHBondContact O-CD2 3.32Å; L79-K163 PolarHBondContact O-NZ 3.31Å
80N94.3Very high95.4Very high73 Ų7354.4 Ų54.439%0.3928%0.281SS..  trans-128.5178.3173.366.240.8000109.8Q82 H83N80-Q82 PolarHBondContact O-N 3.08Å; N80-Q82 VanDerWaalsContact O-N 3.12Å; N80-Q82 VanDerWaalsContact OD1-CB 3.28Å; N80-Q82 WeakPolarHBondContact OD1-CB 3.42Å; N80-Q82 PolarHBondContact OD1-N 3.29Å; N80-H83 VanDerWaalsContact CG-ND1 3.31Å; N80-H83 PolarHBondContact N-ND1 3.24Å; N80-H83 PolarHBondContact ND2-CE1 2.95Å; N80-H83 WeakPolarHBondContact O-CB 3.45Å; N80-H83 PolarHBondContact O-N 3.19Å; N80-H83 PolarHBondContact O-ND1 3.47Å; N80-H83 PolarHBondContact OD1-CE1 2.99Å; N80-H83 PolarHBondContact OD1-ND1 2.93Å
81I94.9Very high95.5Very high66 Ų6654 Ų5434%0.33828%0.278SS..G310 helixtrans-55.1-32.5-176.6-172.5165.5000114.2H83 V84 V164I81-H83 PolarHBondContact O-N 3.4Å; I81-H83 VanDerWaalsContact O-N 3.07Å; I81-V84 HydrophobicContact CG1-CG2 4.39Å; I81-V84 WeakPolarHBondContact O-CB 3.27Å; I81-V84 WeakPolarHBondContact O-CG2 3.48Å; I81-V84 PolarHBondContact O-N 3.19Å; I81-V164 HydrophobicContact CB-CG2 4.26Å; I81-V164 HydrophobicContact CD1-CG2 3.33Å; I81-V164 HydrophobicContact CG1-CG2 4.36Å; I81-V164 HydrophobicContact CG2-CG2 4.3Å
82Q95.2Very high95.6Very high153 Ų15352.1 Ų52.172%0.71527%0.274SS*.G310 helixtrans-65-15.5178.9-56.1-61.9-27.500112.6N80 P85N80-Q82 PolarHBondContact O-N 3.08Å; N80-Q82 VanDerWaalsContact O-N 3.12Å; N80-Q82 VanDerWaalsContact OD1-CB 3.28Å; N80-Q82 WeakPolarHBondContact OD1-CB 3.42Å; N80-Q82 PolarHBondContact OD1-N 3.29Å; Q82-P85 WeakPolarHBondContact O-CD 3.48Å
83H96.2Very high95.7Very high53 Ų5350 Ų5025%0.24527%0.265CS..G310 helixtrans-93.3-2.6177.6-57.587.9000113.6L79 N80 I81 P85 L86 V87L79-H83 HydrophobicContact CB-CB 4.11Å; L79-H83 HydrophobicContact CD1-CB 4.44Å; L79-H83 HydrophobicContact CD2-CB 3.96Å; L79-H83 HydrophobicContact CG-CB 4.38Å; N80-H83 VanDerWaalsContact CG-ND1 3.31Å; N80-H83 PolarHBondContact N-ND1 3.24Å; N80-H83 PolarHBondContact ND2-CE1 2.95Å; N80-H83 WeakPolarHBondContact O-CB 3.45Å; N80-H83 PolarHBondContact O-N 3.19Å; N80-H83 PolarHBondContact O-ND1 3.47Å; N80-H83 PolarHBondContact OD1-CE1 2.99Å; N80-H83 PolarHBondContact OD1-ND1 2.93Å; I81-H83 PolarHBondContact O-N 3.4Å; I81-H83 VanDerWaalsContact O-N 3.07Å; H83-P85 VanDerWaalsContact C-CD 3.5Å; H83-P85 VanDerWaalsContact C-N 3.34Å; H83-L86 WeakPolarHBondContact O-CB 3.47Å; H83-L86 PolarHBondContact O-N 3.15Å; H83-L86 VanDerWaalsContact O-N 3.1Å; H83-V87 PolarHBondContact O-N 3.4Å; H83-V87 VanDerWaalsContact O-N 3.08Å
84V96.8Very high95.9Very high11 Ų1148.7 Ų48.77%0.06726%0.257CS..Hα-helixtrans-55.2-43.5175.8169.60000112.3I81 L86 V87 K88 I157 L160I81-V84 HydrophobicContact CG1-CG2 4.39Å; I81-V84 WeakPolarHBondContact O-CB 3.27Å; I81-V84 WeakPolarHBondContact O-CG2 3.48Å; I81-V84 PolarHBondContact O-N 3.19Å; V84-L86 VanDerWaalsContact C-N 3.32Å; V84-L86 PolarHBondContact O-N 3.07Å; V84-V87 PolarHBondContact O-N 3.44Å; V84-K88 HydrophobicContact CG1-CD 4.3Å; V84-K88 WeakPolarHBondContact O-CG 3.44Å; V84-K88 PolarHBondContact O-N 3.34Å; V84-K88 VanDerWaalsContact O-N 3.11Å; V84-I157 HydrophobicContact CG1-CG2 4.03Å; V84-L160 HydrophobicContact CG2-CB 3.69Å; V84-L160 HydrophobicContact CG2-CD1 3.97Å
85P97.8Very high96.1Very high87 Ų8750.8 Ų50.857%0.56526%0.259SS*.Hα-helixtrans-59.4-40.3175-24.735.6000113.2Q82 H83 K88 Q89Q82-P85 WeakPolarHBondContact O-CD 3.48Å; H83-P85 VanDerWaalsContact C-CD 3.5Å; H83-P85 VanDerWaalsContact C-N 3.34Å; P85-K88 PolarHBondContact O-N 2.96Å; P85-Q89 WeakPolarHBondContact O-CB 3.38Å; P85-Q89 PolarHBondContact O-N 3.25Å
86L97.3Very high96.4Very high31 Ų3151.6 Ų51.616%0.16226%0.263CS..Hα-helixtrans-61.2-47.6177.1173.863.5000111.3I51 P69 V73 H83 V84 K88 Q89 M90 L124I51-L86 HydrophobicContact CD1-CD1 3.76Å; P69-L86 HydrophobicContact CB-CD1 4.26Å; V73-L86 HydrophobicContact CG2-CD2 4.34Å; H83-L86 WeakPolarHBondContact O-CB 3.47Å; H83-L86 PolarHBondContact O-N 3.15Å; H83-L86 VanDerWaalsContact O-N 3.1Å; V84-L86 VanDerWaalsContact C-N 3.32Å; V84-L86 PolarHBondContact O-N 3.07Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 3.29Å; L86-Q89 PolarHBondContact O-N 2.94Å; L86-M90 HydrophobicContact CD1-CG 4.35Å; L86-M90 HydrophobicContact CD1-SD 4.46Å; L86-M90 HydrophobicContact CG-SD 4.25Å; L86-M90 VanDerWaalsContact O-CG 3.27Å; L86-M90 WeakPolarHBondContact O-CG 3.41Å; L86-M90 PolarHBondContact O-N 3.32Å; L86-L124 HydrophobicContact CD2-CD2 3.92Å; L86-L124 HydrophobicContact CG-CD2 4.47Å
87V98.1Very high96.7Very high0 Ų051.4 Ų51.40%026%0.262CS..Hα-helixtrans-61.3-40.5179.2178.70000111.1L79 H83 V84 M90 V91 F113 A153 L156 I157 L160L79-V87 HydrophobicContact CD1-CG2 3.77Å; H83-V87 PolarHBondContact O-N 3.4Å; H83-V87 VanDerWaalsContact O-N 3.08Å; V84-V87 PolarHBondContact O-N 3.44Å; V87-M90 PolarHBondContact O-N 3.11Å; V87-V91 WeakPolarHBondContact O-CG2 3.45Å; V87-V91 PolarHBondContact O-N 3.1Å; V87-V91 VanDerWaalsContact O-N 3.15Å; V87-F113 HydrophobicContact CG1-CE2 4.03Å; V87-F113 HydrophobicContact CG1-CZ 4.11Å; V87-A153 HydrophobicContact CG1-CB 4.35Å; V87-L156 HydrophobicContact CG1-CD2 4.43Å; V87-L156 HydrophobicContact CG2-CD2 4.22Å; V87-I157 HydrophobicContact CB-CG1 4.27Å; V87-I157 HydrophobicContact CG1-CD1 4.03Å; V87-I157 HydrophobicContact CG1-CG1 3.87Å; V87-L160 HydrophobicContact CG2-CD1 4.5Å
88K98.3Very high97Very high111 Ų11145.6 Ų45.648%0.48324%0.237SC..Hα-helixtrans-62.7-47.5175.5-71.3178.5175.9-1770111.8V84 P85 L86 M90 V91 D92 I157V84-K88 HydrophobicContact CG1-CD 4.3Å; V84-K88 WeakPolarHBondContact O-CG 3.44Å; V84-K88 PolarHBondContact O-N 3.34Å; V84-K88 VanDerWaalsContact O-N 3.11Å; P85-K88 PolarHBondContact O-N 2.96Å; L86-K88 VanDerWaalsContact C-N 3.3Å; L86-K88 PolarHBondContact O-N 3.29Å; K88-M90 VanDerWaalsContact C-N 3.29Å; K88-M90 PolarHBondContact O-N 3.41Å; K88-V91 WeakPolarHBondContact O-CB 3.36Å; K88-V91 PolarHBondContact O-N 3.31Å; K88-D92 PolarHBondContact O-N 3.39Å; K88-I157 HydrophobicContact CG-CD1 3.86Å
89Q98.4Very high97.3Very high67 Ų6749.3 Ų49.331%0.31324%0.24SC..Hα-helixtrans-58.7-40.7177.2-174.2-179.3-11.400111.9I51 P85 L86 V91 D92 V93I51-Q89 HydrophobicContact CG1-CG 3.99Å; P85-Q89 WeakPolarHBondContact O-CB 3.38Å; P85-Q89 PolarHBondContact O-N 3.25Å; L86-Q89 PolarHBondContact O-N 2.94Å; Q89-V91 VanDerWaalsContact C-N 3.33Å; Q89-V91 PolarHBondContact O-N 2.97Å; Q89-D92 PolarHBondContact O-N 3.38Å; Q89-V93 WeakPolarHBondContact O-CG2 3.41Å; Q89-V93 PolarHBondContact O-N 2.93Å
90M98.6Very high97.4Very high0 Ų055.2 Ų55.20%027%0.266CS..Hα-helixtrans-61.3-40.8175.3-66.8172.380.300112.2I51 V67 L86 V87 K88 G94 F113 L124 L126I51-M90 HydrophobicContact CD1-CG 3.72Å; V67-M90 HydrophobicContact CG1-CB 3.96Å; V67-M90 HydrophobicContact CG1-CG 4.18Å; V67-M90 WeakPolarHBondContact O-CE 2.93Å; L86-M90 HydrophobicContact CD1-CG 4.35Å; L86-M90 HydrophobicContact CD1-SD 4.46Å; L86-M90 HydrophobicContact CG-SD 4.25Å; L86-M90 VanDerWaalsContact O-CG 3.27Å; L86-M90 WeakPolarHBondContact O-CG 3.41Å; L86-M90 PolarHBondContact O-N 3.32Å; V87-M90 PolarHBondContact O-N 3.11Å; K88-M90 VanDerWaalsContact C-N 3.29Å; K88-M90 PolarHBondContact O-N 3.41Å; M90-G94 PolarHBondContact O-N 3.04Å; M90-F113 HydrophobicContact CE-CE1 4.1Å; M90-F113 HydrophobicContact SD-CE1 4.46Å; M90-F113 HydrophobicContact SD-CZ 4.47Å; M90-L124 HydrophobicContact CE-CD2 4.19Å; M90-L124 HydrophobicContact CE-CG 4.02Å; M90-L124 HydrophobicContact SD-CD2 3.62Å; M90-L124 HydrophobicContact SD-CG 4.1Å; M90-L126 HydrophobicContact CB-CB 4.37Å; M90-L126 HydrophobicContact CB-CD2 3.99Å; M90-L126 HydrophobicContact CE-CB 3.76Å; M90-L126 WeakPolarHBondContact O-CD2 3.36Å
91V98.6Very high97.5Very high13 Ų1354.3 Ų54.38%0.07926%0.259CS..Hα-helixtrans-65.4-43.3176.4171.70000110.9V87 K88 Q89 G94 K95 F111 L126 A153V87-V91 WeakPolarHBondContact O-CG2 3.45Å; V87-V91 PolarHBondContact O-N 3.1Å; V87-V91 VanDerWaalsContact O-N 3.15Å; K88-V91 WeakPolarHBondContact O-CB 3.36Å; K88-V91 PolarHBondContact O-N 3.31Å; Q89-V91 VanDerWaalsContact C-N 3.33Å; Q89-V91 PolarHBondContact O-N 2.97Å; V91-G94 PolarHBondContact O-N 3.17Å; V91-K95 HydrophobicContact CG1-CD 4.32Å; V91-K95 WeakPolarHBondContact O-CG 3.3Å; V91-K95 PolarHBondContact O-N 3.28Å; V91-F111 HydrophobicContact CG1-CD2 4.37Å; V91-F111 HydrophobicContact CG1-CG 4.34Å; V91-F111 HydrophobicContact CG2-CB 4.43Å; V91-L126 HydrophobicContact CB-CD2 4.42Å; V91-L126 HydrophobicContact CG2-CD2 3.85Å; V91-A153 HydrophobicContact CG2-CB 3.5Å; V91-A153 VanDerWaalsContact CG2-CB 3.5Å
92D98.4Very high97.6Very high84 Ų8458.1 Ų58.145%0.44928%0.28SS..Hα-helixtrans-64.4-45.3179.9-67.7-24.5000111.4K88 Q89 G94 K95 D96K88-D92 PolarHBondContact O-N 3.39Å; Q89-D92 PolarHBondContact O-N 3.38Å; D92-G94 VanDerWaalsContact C-N 3.29Å; D92-G94 PolarHBondContact O-N 2.85Å; D92-K95 WeakPolarHBondContact O-CB 3.11Å; D92-K95 PolarHBondContact O-N 2.87Å; D92-K95 IonicContact OD1-NZ 3.73Å; D92-D96 PolarHBondContact O-N 2.74Å
93V98.6Very high97.5Very high10 Ų1051.8 Ų51.86%0.06125%0.252CS..Hα-helixtrans-59.6-40.3172.2171.30000111.4H46 I51 C53 V67 Q89 K95 D96 V97H46-V93 HydrophobicContact CB-CG1 4.2Å; I51-V93 HydrophobicContact CB-CG2 4.33Å; I51-V93 HydrophobicContact CG2-CB 4.1Å; I51-V93 HydrophobicContact CG2-CG1 3.85Å; I51-V93 HydrophobicContact CG2-CG2 3.96Å; C53-V93 HydrophobicContact CB-CG1 4.32Å; V67-V93 HydrophobicContact CG1-CB 4.22Å; V67-V93 HydrophobicContact CG1-CG1 4.08Å; Q89-V93 WeakPolarHBondContact O-CG2 3.41Å; Q89-V93 PolarHBondContact O-N 2.93Å; V93-K95 PolarHBondContact O-N 2.81Å; V93-D96 PolarHBondContact O-N 3.01Å; V93-V97 HydrophobicContact CG1-CG2 4.34Å; V93-V97 WeakPolarHBondContact O-CG2 3.45Å; V93-V97 PolarHBondContact O-N 3.08Å
94G98.4Very high97.2Very high0 Ų055 Ų550%028%0.275CS..Hα-helixtrans-59.6-44.5175.700000112.9M90 V91 D92 L98M90-G94 PolarHBondContact O-N 3.04Å; V91-G94 PolarHBondContact O-N 3.17Å; D92-G94 VanDerWaalsContact C-N 3.29Å; D92-G94 PolarHBondContact O-N 2.85Å; G94-L98 WeakPolarHBondContact O-CG 3.41Å; G94-L98 PolarHBondContact O-N 2.84Å
95K98.3Very high96.8Very high69 Ų6958.8 Ų58.830%0.330%0.295SS..Hα-helixtrans-63.6-41.2174.5-68.9170.2-177.5164.30111.6V91 D92 V93 L98 R99 L106 F111V91-K95 HydrophobicContact CG1-CD 4.32Å; V91-K95 WeakPolarHBondContact O-CG 3.3Å; V91-K95 PolarHBondContact O-N 3.28Å; D92-K95 WeakPolarHBondContact O-CB 3.11Å; D92-K95 PolarHBondContact O-N 2.87Å; D92-K95 IonicContact OD1-NZ 3.73Å; V93-K95 PolarHBondContact O-N 2.81Å; K95-L98 PolarHBondContact O-N 3.15Å; K95-R99 WeakPolarHBondContact O-CG 3.25Å; K95-R99 PolarHBondContact O-N 3.48Å; K95-L106 HydrophobicContact CB-CD1 4.45Å; K95-L106 HydrophobicContact CD-CD1 4.25Å; K95-L106 HydrophobicContact CG-CD1 4.1Å; K95-F111 HydrophobicContact CG-CE1 4.37Å; K95-F111 HydrophobicContact CG-CE2 4.08Å; K95-F111 HydrophobicContact CG-CZ 3.56Å
96D97.9Very high96.4Very high57 Ų5757.9 Ų57.931%0.30529%0.285SS..Hα-helixtrans-63.5-44.5179.5-736.2000111.8D92 V93 R99 K100D92-D96 PolarHBondContact O-N 2.74Å; V93-D96 PolarHBondContact O-N 3.01Å; D96-R99 PolarHBondContact O-N 3.22Å; D96-R99 IonicContact OD1-CZ 3.84Å; D96-R99 IonicContact OD1-NE 3.7Å; D96-R99 IonicContact OD1-NH2 3.83Å; D96-R99 PolarHBondContact OD1-NH2 3.49Å; D96-K100 WeakPolarHBondContact O-CG 3.34Å; D96-K100 PolarHBondContact O-N 2.88Å
97V98.1Very high96.2Very high0 Ų062.5 Ų62.50%032%0.315CS..Hα-helixtrans-63.8-42.2176.2172.60000110.8L45 H46 C53 Y65 V93 R99 K100 H101L45-V97 HydrophobicContact CB-CG1 3.89Å; L45-V97 HydrophobicContact CB-CG2 4.46Å; L45-V97 HydrophobicContact CD1-CG1 3.73Å; L45-V97 HydrophobicContact CG-CG1 4.48Å; H46-V97 HydrophobicContact CB-CG2 3.82Å; C53-V97 HydrophobicContact CB-CG2 4.11Å; Y65-V97 HydrophobicContact CD2-CG1 3.63Å; Y65-V97 HydrophobicContact CE2-CG1 3.65Å; Y65-V97 HydrophobicContact CG-CG1 4.28Å; V93-V97 HydrophobicContact CG1-CG2 4.34Å; V93-V97 WeakPolarHBondContact O-CG2 3.45Å; V93-V97 PolarHBondContact O-N 3.08Å; V97-R99 PolarHBondContact O-N 3.21Å; V97-K100 PolarHBondContact O-N 3.37Å; V97-H101 PolarHBondContact O-CD2 3.34Å; V97-H101 PolarHBondContact O-N 3.08Å; V97-H101 VanDerWaalsContact O-N 3.11Å
98L98.1Very high96.1Very high0 Ų064.5 Ų64.50%033%0.326CS..Hα-helixtrans-57.7-46.2173.6-77.2173.9000112.3H63 Y65 G94 K95 K100 H101 N102 V103 L106 V109 F111 V128 A130H63-L98 HydrophobicContact CB-CD2 3.92Å; Y65-L98 HydrophobicContact CD2-CD2 4.27Å; Y65-L98 HydrophobicContact CE2-CD2 3.8Å; Y65-L98 HydrophobicContact CE2-CG 4.38Å; G94-L98 WeakPolarHBondContact O-CG 3.41Å; G94-L98 PolarHBondContact O-N 2.84Å; K95-L98 PolarHBondContact O-N 3.15Å; L98-K100 PolarHBondContact O-N 3Å; L98-H101 CarbonylContact O-C 3.58Å; L98-H101 VanDerWaalsContact O-C 3.29Å; L98-H101 WeakPolarHBondContact O-CA 3.44Å; L98-H101 PolarHBondContact O-N 3.24Å; L98-N102 PolarHBondContact O-N 3.09Å; L98-V103 CarbonylContact C-O 3.5Å; L98-V103 HydrophobicContact CB-CB 4.05Å; L98-V103 HydrophobicContact CB-CG1 4.44Å; L98-V103 HydrophobicContact CD2-CB 4.04Å; L98-V103 HydrophobicContact CD2-CG1 4.17Å; L98-V103 HydrophobicContact CD2-CG2 4.1Å; L98-V103 PolarHBondContact O-N 3.17Å; L98-L106 HydrophobicContact CD1-CD2 4.24Å; L98-V109 HydrophobicContact CD1-CB 4.46Å; L98-V109 HydrophobicContact CD1-CG1 3.54Å; L98-V109 HydrophobicContact CD1-CG2 4.02Å; L98-F111 HydrophobicContact CD1-CE1 4.4Å; L98-F111 HydrophobicContact CD1-CZ 4.03Å; L98-V128 HydrophobicContact CD1-CG1 3.54Å; L98-V128 HydrophobicContact CD2-CG1 4.15Å; L98-V128 HydrophobicContact CG-CG1 3.75Å; L98-A130 HydrophobicContact CD1-CB 4.29Å; L98-A130 HydrophobicContact CD2-CB 3.63Å
99R97.3Very high96Very high147 Ų14760.4 Ų60.456%0.55531%0.31SS*.Hα-helixtrans-61.7-42.3177.2-71-172.5-68.6158.7-8.2112.4K95 D96 V97 H101 N102K95-R99 WeakPolarHBondContact O-CG 3.25Å; K95-R99 PolarHBondContact O-N 3.48Å; D96-R99 PolarHBondContact O-N 3.22Å; D96-R99 IonicContact OD1-CZ 3.84Å; D96-R99 IonicContact OD1-NE 3.7Å; D96-R99 IonicContact OD1-NH2 3.83Å; D96-R99 PolarHBondContact OD1-NH2 3.49Å; V97-R99 PolarHBondContact O-N 3.21Å; R99-H101 PolarHBondContact O-N 3.08Å; R99-N102 PolarHBondContact O-N 3.25Å; R99-N102 VanDerWaalsContact O-N 3.08Å
100K96.9Very high95.9Very high127 Ų12759.1 Ų59.155%0.55230%0.302SS*.Hα-helixtrans-60.7-25.8174.6-71.7172.6-175.8174.90112.6D96 V97 L98D96-K100 WeakPolarHBondContact O-CG 3.34Å; D96-K100 PolarHBondContact O-N 2.88Å; V97-K100 PolarHBondContact O-N 3.37Å; L98-K100 PolarHBondContact O-N 3Å
101H96.1Very high95.9Very high55 Ų5560.5 Ų60.526%0.25531%0.308SS..THydrogen-bonded Turntrans-102.127.9175.8-69.9-69.7000113.5R55 Y65 V97 L98 R99 V103R55-H101 PolarHBondContact NH2-CE1 3.16Å; Y65-H101 AromaticContact CZ-CD2 3.92Å; Y65-H101 WeakPolarHBondContact OH-CB 3.34Å; Y65-H101 PolarHBondContact OH-CD2 2.6Å; V97-H101 PolarHBondContact O-CD2 3.34Å; V97-H101 PolarHBondContact O-N 3.08Å; V97-H101 VanDerWaalsContact O-N 3.11Å; L98-H101 CarbonylContact O-C 3.58Å; L98-H101 VanDerWaalsContact O-C 3.29Å; L98-H101 WeakPolarHBondContact O-CA 3.44Å; L98-H101 PolarHBondContact O-N 3.24Å; R99-H101 PolarHBondContact O-N 3.08Å; H101-V103 PolarHBondContact O-N 3.11Å
102N95.5Very high95.8Very high146 Ų14659.9 Ų59.978%0.78130%0.304SS*.THydrogen-bonded Turntrans63.718.1173.2-56.290.5000115.3L98 R99 T104L98-N102 PolarHBondContact O-N 3.09Å; R99-N102 PolarHBondContact O-N 3.25Å; R99-N102 VanDerWaalsContact O-N 3.08Å; N102-T104 PolarHBondContact O-N 3.05Å
103V94.6Very high95.7Very high20 Ų2056 Ų5612%0.12128%0.284CS..  trans-93.196169.5-176.40000108.5H63 L98 H101 A130H63-V103 WeakPolarHBondContact CD2-CG2 3.46Å; H63-V103 VanDerWaalsContact NE2-CG2 3.35Å; H63-V103 WeakPolarHBondContact NE2-CG2 3.46Å; L98-V103 CarbonylContact C-O 3.5Å; L98-V103 HydrophobicContact CB-CB 4.05Å; L98-V103 HydrophobicContact CB-CG1 4.44Å; L98-V103 HydrophobicContact CD2-CB 4.04Å; L98-V103 HydrophobicContact CD2-CG1 4.17Å; L98-V103 HydrophobicContact CD2-CG2 4.1Å; L98-V103 PolarHBondContact O-N 3.17Å; H101-V103 PolarHBondContact O-N 3.11Å; V103-A130 HydrophobicContact CG1-CB 4.06Å
104T88.6Confident95.5Very high119 Ų11956.7 Ų56.773%0.7329%0.286SS*.  trans-99.1-23.2-178.255.40000113.4N102 L106N102-T104 PolarHBondContact O-N 3.05Å; T104-L106 PolarHBondContact O-N 3.46Å
105D88.2Confident95.1Very high91 Ų9159.5 Ų59.549%0.48730%0.297SS..  trans-82.4107.7173.2-177.25.7000109.9T107D105-T107 VanDerWaalsContact CG-OG1 3.3Å; D105-T107 VanDerWaalsContact OD1-CB 3.31Å; D105-T107 WeakPolarHBondContact OD1-CB 3.38Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.49Å; D105-T107 PolarHBondContact OD1-N 3.28Å; D105-T107 PolarHBondContact OD1-OG1 2.95Å; D105-T107 PolarHBondContact OD2-OG1 3.43Å
106L91Very high94.5Very high69 Ų6957.1 Ų57.136%0.36129%0.288SS..  trans-91.22179.5-59.7-178000113.2K95 L98 T104 D108 V109K95-L106 HydrophobicContact CB-CD1 4.45Å; K95-L106 HydrophobicContact CD-CD1 4.25Å; K95-L106 HydrophobicContact CG-CD1 4.1Å; L98-L106 HydrophobicContact CD1-CD2 4.24Å; T104-L106 PolarHBondContact O-N 3.46Å; L106-D108 VanDerWaalsContact C-N 3.32Å; L106-V109 HydrophobicContact CB-CG2 4.49Å; L106-V109 HydrophobicContact CD2-CG2 4.04Å
107T92.8Very high93.8Very high128 Ų12859.8 Ų59.879%0.78531%0.308SS*.THydrogen-bonded Turntrans-74.8-23.9178.667.40000112.7D105D105-T107 VanDerWaalsContact CG-OG1 3.3Å; D105-T107 VanDerWaalsContact OD1-CB 3.31Å; D105-T107 WeakPolarHBondContact OD1-CB 3.38Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.49Å; D105-T107 PolarHBondContact OD1-N 3.28Å; D105-T107 PolarHBondContact OD1-OG1 2.95Å; D105-T107 PolarHBondContact OD2-OG1 3.43Å
108D94.5Very high93Very high42 Ų4265.5 Ų65.523%0.22533%0.333CS..THydrogen-bonded Turntrans-107.440.3178.5-166.518.4000112.2L106 P131 V132 S133L106-D108 VanDerWaalsContact C-N 3.32Å; D108-P131 HydrophobicContact CB-CB 4.45Å; D108-P131 CarbonylContact O-C 3.58Å; D108-P131 VanDerWaalsContact O-CA 3.32Å; D108-P131 WeakPolarHBondContact O-CA 3.42Å; D108-P131 WeakPolarHBondContact OD2-CB 3.35Å; D108-V132 PolarHBondContact O-N 3.4Å; D108-V132 WeakPolarHBondContact OD1-CA 3.29Å; D108-V132 VanDerWaalsContact OD1-CB 3.27Å; D108-V132 WeakPolarHBondContact OD1-CB 3.39Å; D108-V132 PolarHBondContact OD1-N 3.21Å; D108-S133 PolarHBondContact OD1-N 3.29Å; D108-S133 WeakPolarHBondContact OD2-CB 3.36Å; D108-S133 PolarHBondContact OD2-N 2.98Å; D108-S133 PolarHBondContact OD2-OG 2.93Å
109V96.5Very high92.1Very high24 Ų2466.5 Ų66.515%0.14534%0.341CS..  trans-121.7144.4-177.5-177.60000110.3L98 L106 F111 L129 A130L98-V109 HydrophobicContact CD1-CB 4.46Å; L98-V109 HydrophobicContact CD1-CG1 3.54Å; L98-V109 HydrophobicContact CD1-CG2 4.02Å; L106-V109 HydrophobicContact CB-CG2 4.49Å; L106-V109 HydrophobicContact CD2-CG2 4.04Å; V109-F111 HydrophobicContact CB-CE2 4.21Å; V109-F111 HydrophobicContact CG1-CD2 4.01Å; V109-F111 HydrophobicContact CG1-CE1 4.13Å; V109-F111 HydrophobicContact CG1-CE2 3.39Å; V109-F111 HydrophobicContact CG1-CZ 3.46Å; V109-F111 VanDerWaalsContact CG1-CZ 3.46Å; V109-L129 CarbonylContact C-O 3.6Å; V109-L129 WeakPolarHBondContact CA-O 3.42Å; V109-A130 HydrophobicContact CB-CB 4.5Å; V109-A130 HydrophobicContact CG1-CB 4.37Å; V109-A130 HydrophobicContact CG2-CB 3.81Å
110R96.6Very high91.4Very high40 Ų4065.1 Ų65.115%0.15135%0.353CS..EExtended strand (participates in β ladder)trans-123.9126.4173.2-178.9172.4-63.4155.57.2110.8L129 V132 Y143 F150R110-L129 HydrophobicContact CB-CB 4.24Å; R110-L129 HydrophobicContact CB-CD1 4.44Å; R110-L129 HydrophobicContact CG-CD1 4.41Å; R110-L129 PolarHBondContact N-O 3.13Å; R110-L129 PolarHBondContact O-N 2.84Å; R110-V132 HydrophobicContact CB-CG2 3.52Å; R110-Y143 WeakPolarHBondContact CD-O 3.43Å; R110-Y143 PolarHBondContact NH1-O 2.95Å; R110-F150 HydrophobicContact CG-CE1 4.01Å; R110-F150 HydrophobicContact CG-CZ 4.17Å
111F97.9Very high91.2Very high30 Ų3060.4 Ų60.413%0.13234%0.335CS..EExtended strand (participates in β ladder)trans-112122.1172.2-62.2-75.9000108.7V91 K95 L98 V109 L126 H127 V128 T152 A153V91-F111 HydrophobicContact CG1-CD2 4.37Å; V91-F111 HydrophobicContact CG1-CG 4.34Å; V91-F111 HydrophobicContact CG2-CB 4.43Å; K95-F111 HydrophobicContact CG-CE1 4.37Å; K95-F111 HydrophobicContact CG-CE2 4.08Å; K95-F111 HydrophobicContact CG-CZ 3.56Å; L98-F111 HydrophobicContact CD1-CE1 4.4Å; L98-F111 HydrophobicContact CD1-CZ 4.03Å; V109-F111 HydrophobicContact CB-CE2 4.21Å; V109-F111 HydrophobicContact CG1-CD2 4.01Å; V109-F111 HydrophobicContact CG1-CE1 4.13Å; V109-F111 HydrophobicContact CG1-CE2 3.39Å; V109-F111 HydrophobicContact CG1-CZ 3.46Å; V109-F111 VanDerWaalsContact CG1-CZ 3.46Å; F111-L126 HydrophobicContact CB-CD1 4.09Å; F111-L126 HydrophobicContact CD1-CD2 4.03Å; F111-H127 WeakPolarHBondContact CA-O 3.47Å; F111-V128 HydrophobicContact CD1-CB 4.34Å; F111-V128 HydrophobicContact CD1-CG1 4.16Å; F111-V128 HydrophobicContact CD1-CG2 3.91Å; F111-V128 HydrophobicContact CE1-CB 4.21Å; F111-V128 HydrophobicContact CE1-CG1 3.58Å; F111-V128 HydrophobicContact CE1-CG2 3.89Å; F111-V128 HydrophobicContact CZ-CG1 4.38Å; F111-T152 WeakPolarHBondContact O-CA 3.45Å; F111-A153 HydrophobicContact CB-CB 4.16Å; F111-A153 PolarHBondContact O-N 3.29Å
112G96.9Very high91Very high0 Ų061.9 Ų61.90%035%0.348CS..EExtended strand (participates in β ladder)trans-173.6-178175.200000115.4H127 F150 V151G112-H127 PolarHBondContact N-O 3.06Å; G112-H127 VanDerWaalsContact N-O 3.12Å; G112-H127 WeakPolarHBondContact O-CB 3.34Å; G112-H127 PolarHBondContact O-N 3.1Å; G112-F150 VanDerWaalsContact CA-CZ 3.4Å; G112-V151 CarbonylContact C-O 3.56Å; G112-V151 WeakPolarHBondContact CA-O 3.32Å
113F96.5Very high91Very high3 Ų355 Ų551%0.01331%0.311CS..EExtended strand (participates in β ladder)trans-128.2144.1-171.3-58.1-93000109.8C76 V87 M90 W115 L124 H125 L126 F150 V151 A153 L156C76-F113 HydrophobicContact CB-CB 3.94Å; C76-F113 HydrophobicContact CB-CD1 4.25Å; C76-F113 HydrophobicContact CB-CG 4.06Å; V87-F113 HydrophobicContact CG1-CE2 4.03Å; V87-F113 HydrophobicContact CG1-CZ 4.11Å; M90-F113 HydrophobicContact CE-CE1 4.1Å; M90-F113 HydrophobicContact SD-CE1 4.46Å; M90-F113 HydrophobicContact SD-CZ 4.47Å; F113-W115 PolarHBondContact O-N 3.06Å; F113-L124 HydrophobicContact CD1-CD1 3.82Å; F113-L124 HydrophobicContact CE1-CD1 3.62Å; F113-L124 HydrophobicContact CE1-CG 4.06Å; F113-H125 WeakPolarHBondContact CD1-O 3.38Å; F113-L126 HydrophobicContact CD2-CD1 4.11Å; F113-L126 HydrophobicContact CE1-CB 3.8Å; F113-L126 HydrophobicContact CE1-CD1 4.14Å; F113-L126 HydrophobicContact CE2-CD1 3.51Å; F113-L126 HydrophobicContact CZ-CB 3.85Å; F113-L126 HydrophobicContact CZ-CD1 3.54Å; F113-L126 HydrophobicContact CZ-CG 4.29Å; F113-F150 WeakPolarHBondContact O-CA 3.46Å; F113-F150 WeakPolarHBondContact O-CD2 3.38Å; F113-V151 HydrophobicContact CB-CG1 4.06Å; F113-V151 PolarHBondContact N-O 3.12Å; F113-V151 PolarHBondContact O-N 3.43Å; F113-A153 HydrophobicContact CE2-CB 4.2Å; F113-L156 HydrophobicContact CD2-CD2 3.53Å; F113-L156 HydrophobicContact CE2-CD2 3.52Å; F113-L156 HydrophobicContact CG-CD2 4.16Å; F113-L156 HydrophobicContact CZ-CD2 4.16Å
114H94.5Very high91.1Very high23 Ų2354 Ų5411%0.10631%0.305CS..EExtended strand (participates in β ladder)trans-71.9127.6165.7-79.5-54.2000111C119 H127 Y143 W149 F150H114-C119 HydrophobicContact CB-CB 4.17Å; H114-H127 AromaticContact CD2-CD2 3.88Å; H114-H127 AromaticContact CD2-CE1 3.88Å; H114-H127 AromaticContact CD2-NE2 3.17Å; H114-H127 PolarHBondContact CD2-NE2 2.97Å; H114-H127 AromaticContact NE2-NE2 3.74Å; H114-Y143 AromaticContact CE1-CE1 3.82Å; H114-Y143 AromaticContact NE2-CE1 3.41Å; H114-Y143 WeakPolarHBondContact NE2-CE1 3.39Å; H114-W149 CarbonylContact C-O 3.51Å; H114-W149 WeakPolarHBondContact CA-O 3.37Å; H114-W149 PolarHBondContact ND1-O 3.31Å; H114-F150 AromaticContact CE1-CD2 3.93Å; H114-F150 AromaticContact ND1-CD2 3.82Å
115W90.3Very high91.5Very high60 Ų6049.2 Ų49.223%0.22727%0.274CS..PPolyproline II helixtrans-82.6127.2-179.3-165.6-101.6000110.7C76 K77 F113 F118 W149 V151 L156 L159C76-W115 VanDerWaalsContact SG-CE3 3.57Å; K77-W115 HydrophobicContact CB-CH2 4.3Å; K77-W115 HydrophobicContact CB-CZ2 4.26Å; K77-W115 HydrophobicContact CD-CZ2 4.23Å; K77-W115 HydrophobicContact CG-CH2 4.27Å; K77-W115 HydrophobicContact CG-CZ2 3.93Å; F113-W115 PolarHBondContact O-N 3.06Å; W115-F118 WeakPolarHBondContact O-CB 3.45Å; W115-F118 PolarHBondContact O-N 2.92Å; W115-W149 PolarHBondContact N-O 3.34Å; W115-V151 HydrophobicContact CE3-CB 4.24Å; W115-V151 HydrophobicContact CE3-CG1 3.72Å; W115-V151 HydrophobicContact CZ3-CG1 4.17Å; W115-L156 HydrophobicContact CZ3-CD1 4.18Å; W115-L159 HydrophobicContact CH2-CD2 3.54Å; W115-L159 HydrophobicContact CZ2-CD2 4.46Å; W115-L159 HydrophobicContact CZ3-CD2 4.09Å
116P86Confident92Very high18 Ų1844.9 Ų44.912%0.11725%0.251CS..THydrogen-bonded Turntrans-58.2143.1177.8-23.332.2000112.4N75 K77N75-P116 HydrophobicContact CB-CG 3.72Å; N75-P116 WeakPolarHBondContact ND2-CG 3.36Å; N75-P116 WeakPolarHBondContact OD1-CG 3.3Å; K77-P116 HydrophobicContact CB-CG 3.91Å
117P83.3Confident92.4Very high113 Ų11341.9 Ų41.973%0.73424%0.236SC*.THydrogen-bonded Turncis-85.17.69.835-37.4000115.3C119P117-C119 PolarHBondContact O-N 3.18Å
118F80.9Confident92.6Very high120 Ų12035.8 Ų35.853%0.52620%0.198SC..SBendtrans-85.823.3-173.1-53.2-77.9000114.4W115 W149W115-F118 WeakPolarHBondContact O-CB 3.45Å; W115-F118 PolarHBondContact O-N 2.92Å; F118-W149 HydrophobicContact CB-CB 3.72Å; F118-W149 HydrophobicContact CD1-CB 4.49Å; F118-W149 HydrophobicContact CD2-CB 3.52Å; F118-W149 HydrophobicContact CE2-CB 4.25Å; F118-W149 HydrophobicContact CG-CB 3.66Å
119C79.7Confident92.8Very high22 Ų2233.8 Ų33.815%0.14919%0.188CC..  trans-100.2130.2176.360.70000110.8H114 P117H114-C119 HydrophobicContact CB-CB 4.17Å; P117-C119 PolarHBondContact O-N 3.18Å
120S82.9Confident92.8Very high117 Ų11732.7 Ų32.782%0.81818%0.181SC*.SBendtrans-77.2-28.5-177.6-54.20000114
121V90.9Very high92.8Very high29 Ų2932 Ų3218%0.17618%0.181CC..SBendtrans-129.2127.6-179.6-1770000109I31 F32 H123 H125I31-V121 HydrophobicContact CG2-CG1 4.03Å; I31-V121 HydrophobicContact CG2-CG2 3.89Å; F32-V121 HydrophobicContact CD1-CG1 4.35Å; F32-V121 HydrophobicContact CD2-CB 4.2Å; F32-V121 HydrophobicContact CD2-CG1 3.68Å; F32-V121 HydrophobicContact CE1-CG1 4.43Å; F32-V121 HydrophobicContact CE1-CG2 4.1Å; F32-V121 HydrophobicContact CE2-CB 3.72Å; F32-V121 HydrophobicContact CE2-CG1 3.75Å; F32-V121 HydrophobicContact CE2-CG2 4.15Å; F32-V121 HydrophobicContact CG-CG1 3.98Å; F32-V121 HydrophobicContact CZ-CB 3.9Å; F32-V121 HydrophobicContact CZ-CG1 4.14Å; F32-V121 HydrophobicContact CZ-CG2 3.78Å; V121-H123 HydrophobicContact CG1-CB 4.12Å; V121-H123 PolarHBondContact O-N 3.35Å; V121-H125 PolarHBondContact O-CE1 3.12Å; V121-H125 VanDerWaalsContact O-CE1 3.28Å
122T92.8Very high92.5Very high86 Ų8631.6 Ų31.653%0.52818%0.181SC..SBendtrans-85.547.4-179.856.40000112.2H72H72-T122 PolarHBondContact CE1-O 3.12Å; H72-T122 PolarHBondContact NE2-O 3.48Å
123H95.3Very high92.4Very high0 Ų034.8 Ų34.80%020%0.204CC..SBendtrans-129.5126.6169.4-176.6143.7000106.2C30 F32 P69 H72 V73 V121 H125C30-H123 VanDerWaalsContact SG-CB 3.53Å; C30-H123 PolarHBondContact SG-ND1 2.84Å; C30-H123 VanDerWaalsContact SG-ND1 3.42Å; F32-H123 HydrophobicContact CB-CB 4.14Å; F32-H123 HydrophobicContact CD2-CB 3.91Å; F32-H123 HydrophobicContact CG-CB 4.46Å; P69-H123 PolarHBondContact O-CE1 2.94Å; P69-H123 PolarHBondContact O-NE2 2.95Å; H72-H123 AromaticContact ND1-ND1 3.53Å; V73-H123 CarbonylContact O-C 3.51Å; V73-H123 WeakPolarHBondContact O-CA 3.23Å; V121-H123 HydrophobicContact CG1-CB 4.12Å; V121-H123 PolarHBondContact O-N 3.35Å; H123-H125 PolarHBondContact O-N 3.19Å; H123-H125 VanDerWaalsContact O-N 3.14Å; H123-H125 PolarHBondContact O-ND1 2.9Å
124L97.1Very high92.2Very high1 Ų140.8 Ų40.81%0.00523%0.232CC..  trans-48.9121.9-176.2-173.466000111.1P69 V73 G74 C76 L79 L86 M90 F113P69-L124 WeakPolarHBondContact CD-O 3.42Å; P69-L124 HydrophobicContact CG-CB 4.1Å; P69-L124 HydrophobicContact CG-CD2 4.45Å; V73-L124 HydrophobicContact CB-CB 4.06Å; V73-L124 HydrophobicContact CG1-CB 4.18Å; V73-L124 HydrophobicContact CG1-CD2 4.24Å; V73-L124 PolarHBondContact O-N 2.73Å; G74-L124 VanDerWaalsContact O-CA 3.27Å; G74-L124 WeakPolarHBondContact O-CA 3.46Å; G74-L124 VanDerWaalsContact O-CB 3.25Å; G74-L124 WeakPolarHBondContact O-CB 3.16Å; G74-L124 PolarHBondContact O-N 2.89Å; C76-L124 HydrophobicContact CB-CD1 4.14Å; L79-L124 HydrophobicContact CD1-CD1 3.97Å; L79-L124 HydrophobicContact CD1-CD2 4.1Å; L79-L124 HydrophobicContact CD2-CD2 4.19Å; L86-L124 HydrophobicContact CD2-CD2 3.92Å; L86-L124 HydrophobicContact CG-CD2 4.47Å; M90-L124 HydrophobicContact CE-CD2 4.19Å; M90-L124 HydrophobicContact CE-CG 4.02Å; M90-L124 HydrophobicContact SD-CD2 3.62Å; M90-L124 HydrophobicContact SD-CG 4.1Å; F113-L124 HydrophobicContact CD1-CD1 3.82Å; F113-L124 HydrophobicContact CE1-CD1 3.62Å; F113-L124 HydrophobicContact CE1-CG 4.06Å
125H97.7Very high92.1Very high17 Ų1739.8 Ų39.88%0.07923%0.227CC..  trans-141.5124.7178.654.9-81.2000110.1F32 V67 V68 F113 V121 H123 H127F32-H125 HydrophobicContact CD2-CB 4.27Å; F32-H125 HydrophobicContact CE2-CB 3.74Å; F32-H125 AromaticContact CE2-CG 3.63Å; F32-H125 AromaticContact CE2-ND1 3.57Å; V67-H125 CarbonylContact O-C 3.56Å; V67-H125 WeakPolarHBondContact O-CA 3.38Å; V68-H125 HydrophobicContact CG1-CB 3.68Å; F113-H125 WeakPolarHBondContact CD1-O 3.38Å; V121-H125 PolarHBondContact O-CE1 3.12Å; V121-H125 VanDerWaalsContact O-CE1 3.28Å; H123-H125 PolarHBondContact O-N 3.19Å; H123-H125 VanDerWaalsContact O-N 3.14Å; H123-H125 PolarHBondContact O-ND1 2.9Å; H125-H127 AromaticContact CD2-CD2 3.92Å; H125-H127 AromaticContact CD2-CE1 3.89Å; H125-H127 AromaticContact CD2-NE2 3.31Å; H125-H127 PolarHBondContact CD2-NE2 2.76Å; H125-H127 VanDerWaalsContact CD2-NE2 3.31Å; H125-H127 AromaticContact NE2-NE2 3.48Å; H125-H127 PolarHBondContact NE2-NE2 2.93Å
126L98.4Very high92.1Very high0 Ų038.9 Ų38.90%024%0.237CC..EExtended strand (participates in β ladder)trans-87122.5172.3176.373.3000108.3L66 V67 M90 V91 F111 F113 V128 A153L66-L126 WeakPolarHBondContact CA-O 3.35Å; V67-L126 HydrophobicContact CB-CB 4.22Å; V67-L126 PolarHBondContact N-O 3.33Å; V67-L126 PolarHBondContact O-N 2.87Å; M90-L126 HydrophobicContact CB-CB 4.37Å; M90-L126 HydrophobicContact CB-CD2 3.99Å; M90-L126 HydrophobicContact CE-CB 3.76Å; M90-L126 WeakPolarHBondContact O-CD2 3.36Å; V91-L126 HydrophobicContact CB-CD2 4.42Å; V91-L126 HydrophobicContact CG2-CD2 3.85Å; F111-L126 HydrophobicContact CB-CD1 4.09Å; F111-L126 HydrophobicContact CD1-CD2 4.03Å; F113-L126 HydrophobicContact CD2-CD1 4.11Å; F113-L126 HydrophobicContact CE1-CB 3.8Å; F113-L126 HydrophobicContact CE1-CD1 4.14Å; F113-L126 HydrophobicContact CE2-CD1 3.51Å; F113-L126 HydrophobicContact CZ-CB 3.85Å; F113-L126 HydrophobicContact CZ-CD1 3.54Å; F113-L126 HydrophobicContact CZ-CG 4.29Å; L126-V128 HydrophobicContact CD2-CG2 4.22Å; L126-V128 HydrophobicContact CG-CG2 4.37Å; L126-A153 HydrophobicContact CD1-CB 4.2Å
127H98.1Very high92.2Very high7 Ų745.9 Ų45.93%0.03227%0.265CS..EExtended strand (participates in β ladder)trans-75.6122.2166.1-67-85.8000109.1H64 L66 F111 G112 H114 H125 L129 Y143 F150H64-H127 AromaticContact CE1-ND1 3.53Å; H64-H127 AromaticContact NE2-CE1 3.82Å; H64-H127 AromaticContact NE2-CG 3.75Å; H64-H127 AromaticContact NE2-ND1 2.84Å; H64-H127 PolarHBondContact NE2-ND1 3.42Å; L66-H127 WeakPolarHBondContact CD2-ND1 3.15Å; F111-H127 WeakPolarHBondContact CA-O 3.47Å; G112-H127 PolarHBondContact N-O 3.06Å; G112-H127 VanDerWaalsContact N-O 3.12Å; G112-H127 WeakPolarHBondContact O-CB 3.34Å; G112-H127 PolarHBondContact O-N 3.1Å; H114-H127 AromaticContact CD2-CD2 3.88Å; H114-H127 AromaticContact CD2-CE1 3.88Å; H114-H127 AromaticContact CD2-NE2 3.17Å; H114-H127 PolarHBondContact CD2-NE2 2.97Å; H114-H127 AromaticContact NE2-NE2 3.74Å; H125-H127 AromaticContact CD2-CD2 3.92Å; H125-H127 AromaticContact CD2-CE1 3.89Å; H125-H127 AromaticContact CD2-NE2 3.31Å; H125-H127 PolarHBondContact CD2-NE2 2.76Å; H125-H127 VanDerWaalsContact CD2-NE2 3.31Å; H125-H127 AromaticContact NE2-NE2 3.48Å; H125-H127 PolarHBondContact NE2-NE2 2.93Å; H127-L129 HydrophobicContact CB-CD1 4.22Å; H127-L129 HydrophobicContact CB-CG 4.39Å; H127-Y143 HydrophobicContact CB-CE1 4.48Å; H127-Y143 AromaticContact ND1-CE1 3.9Å; H127-F150 HydrophobicContact CB-CE2 4.47Å
128V98.3Very high92.5Very high0 Ų046.5 Ų46.50%026%0.26CS..EExtended strand (participates in β ladder)trans-106.9112170.3-178.30000107.2H64 Y65 V67 L98 F111 L126H64-V128 WeakPolarHBondContact CA-O 3.45Å; Y65-V128 HydrophobicContact CD2-CB 4.47Å; Y65-V128 HydrophobicContact CD2-CG1 4.25Å; Y65-V128 PolarHBondContact N-O 2.84Å; Y65-V128 PolarHBondContact O-N 2.85Å; V67-V128 HydrophobicContact CG2-CG2 3.69Å; L98-V128 HydrophobicContact CD1-CG1 3.54Å; L98-V128 HydrophobicContact CD2-CG1 4.15Å; L98-V128 HydrophobicContact CG-CG1 3.75Å; F111-V128 HydrophobicContact CD1-CB 4.34Å; F111-V128 HydrophobicContact CD1-CG1 4.16Å; F111-V128 HydrophobicContact CD1-CG2 3.91Å; F111-V128 HydrophobicContact CE1-CB 4.21Å; F111-V128 HydrophobicContact CE1-CG1 3.58Å; F111-V128 HydrophobicContact CE1-CG2 3.89Å; F111-V128 HydrophobicContact CZ-CG1 4.38Å; L126-V128 HydrophobicContact CD2-CG2 4.22Å; L126-V128 HydrophobicContact CG-CG2 4.37Å
129L97.7Very high92.9Very high0 Ų042.1 Ų42.10%024%0.244CC..EExtended strand (participates in β ladder)trans-121.7122.4-173.8-63.9154000110.3A61 H63 H64 V109 R110 H127 M135 Y143A61-L129 HydrophobicContact CB-CB 4.27Å; A61-L129 HydrophobicContact CB-CD2 4.06Å; H63-L129 CarbonylContact O-C 3.56Å; H63-L129 WeakPolarHBondContact O-CA 3.47Å; H64-L129 HydrophobicContact CB-CD2 4.1Å; H64-L129 WeakPolarHBondContact CD2-CD2 3.4Å; V109-L129 CarbonylContact C-O 3.6Å; V109-L129 WeakPolarHBondContact CA-O 3.42Å; R110-L129 HydrophobicContact CB-CB 4.24Å; R110-L129 HydrophobicContact CB-CD1 4.44Å; R110-L129 HydrophobicContact CG-CD1 4.41Å; R110-L129 PolarHBondContact N-O 3.13Å; R110-L129 PolarHBondContact O-N 2.84Å; H127-L129 HydrophobicContact CB-CD1 4.22Å; H127-L129 HydrophobicContact CB-CG 4.39Å; L129-M135 HydrophobicContact CB-CE 3.35Å; L129-M135 HydrophobicContact CD1-CE 3.55Å; L129-M135 HydrophobicContact CD2-CE 3.97Å; L129-M135 HydrophobicContact CG-CE 3.8Å; L129-Y143 HydrophobicContact CD1-CD1 3.51Å; L129-Y143 HydrophobicContact CD1-CD2 3.92Å; L129-Y143 HydrophobicContact CD1-CE1 3.98Å; L129-Y143 HydrophobicContact CD1-CE2 4.38Å; L129-Y143 HydrophobicContact CD1-CG 3.48Å; L129-Y143 VanDerWaalsContact CD1-CG 3.48Å; L129-Y143 HydrophobicContact CD2-CD2 4.3Å; L129-Y143 HydrophobicContact CD2-CE2 4.16Å
130A96.9Very high93.3Very high0 Ų047 Ų470%026%0.26CS..EExtended strand (participates in β ladder)trans-153.5151.417700000112.1H63 L98 V103 V109H63-A130 WeakPolarHBondContact CA-O 3.45Å; H63-A130 HydrophobicContact CB-CB 4.25Å; H63-A130 VanDerWaalsContact CB-O 3.29Å; H63-A130 WeakPolarHBondContact CB-O 3.32Å; H63-A130 PolarHBondContact CD2-O 3.25Å; H63-A130 PolarHBondContact N-O 2.78Å; H63-A130 PolarHBondContact O-N 2.84Å; L98-A130 HydrophobicContact CD1-CB 4.29Å; L98-A130 HydrophobicContact CD2-CB 3.63Å; V103-A130 HydrophobicContact CG1-CB 4.06Å; V109-A130 HydrophobicContact CB-CB 4.5Å; V109-A130 HydrophobicContact CG1-CB 4.37Å; V109-A130 HydrophobicContact CG2-CB 3.81Å
131P96Very high93.6Very high26 Ų2645.3 Ų45.317%0.16924%0.241CC..  cis-61.5138.5-30.921.1-28.7000111.7P62 D108 S133 Q134P62-P131 HydrophobicContact CG-CG 4.23Å; D108-P131 HydrophobicContact CB-CB 4.45Å; D108-P131 CarbonylContact O-C 3.58Å; D108-P131 VanDerWaalsContact O-CA 3.32Å; D108-P131 WeakPolarHBondContact O-CA 3.42Å; D108-P131 WeakPolarHBondContact OD2-CB 3.35Å; P131-S133 VanDerWaalsContact C-N 3.28Å; P131-S133 PolarHBondContact O-N 3.33Å; P131-Q134 HydrophobicContact CB-CG 4.32Å; P131-Q134 HydrophobicContact CG-CB 3.95Å; P131-Q134 VanDerWaalsContact CG-CD 3.44Å; P131-Q134 HydrophobicContact CG-CG 3.66Å; P131-Q134 PolarHBondContact O-N 2.97Å
132V93.3Very high93.2Very high21 Ų2146.7 Ų46.713%0.12725%0.249CC..G310 helixtrans-66.6-33.7177.5176.90000111.1D108 R110 Q134 M135D108-V132 PolarHBondContact O-N 3.4Å; D108-V132 WeakPolarHBondContact OD1-CA 3.29Å; D108-V132 VanDerWaalsContact OD1-CB 3.27Å; D108-V132 WeakPolarHBondContact OD1-CB 3.39Å; D108-V132 PolarHBondContact OD1-N 3.21Å; R110-V132 HydrophobicContact CB-CG2 3.52Å; V132-Q134 PolarHBondContact O-N 3.16Å; V132-Q134 VanDerWaalsContact O-N 3.14Å; V132-M135 HydrophobicContact CB-CE 4.11Å; V132-M135 HydrophobicContact CG1-CE 3.9Å; V132-M135 HydrophobicContact CG1-SD 3.88Å; V132-M135 HydrophobicContact CG2-CE 3.84Å; V132-M135 WeakPolarHBondContact O-CB 3.36Å; V132-M135 WeakPolarHBondContact O-CG 3.35Å; V132-M135 PolarHBondContact O-N 3.44Å; V132-M135 VanDerWaalsContact O-N 3.08Å
133S93.1Very high93Very high67 Ų6743.4 Ų43.447%0.46923%0.227SC..G310 helixtrans-57.8-24.6175.466.10000113.3D108 P131 R140D108-S133 PolarHBondContact OD1-N 3.29Å; D108-S133 WeakPolarHBondContact OD2-CB 3.36Å; D108-S133 PolarHBondContact OD2-N 2.98Å; D108-S133 PolarHBondContact OD2-OG 2.93Å; P131-S133 VanDerWaalsContact C-N 3.28Å; P131-S133 PolarHBondContact O-N 3.33Å; S133-R140 PolarHBondContact O-NH2 3.18Å
134Q93.6Very high92.6Very high129 Ų12950.6 Ų50.660%0.60325%0.254SS*.G310 helixtrans-99.68179.6-58.7-175.925.200114P62 P131 V132P62-Q134 HydrophobicContact CG-CB 3.9Å; P131-Q134 HydrophobicContact CB-CG 4.32Å; P131-Q134 HydrophobicContact CG-CB 3.95Å; P131-Q134 VanDerWaalsContact CG-CD 3.44Å; P131-Q134 HydrophobicContact CG-CG 3.66Å; P131-Q134 PolarHBondContact O-N 2.97Å; V132-Q134 PolarHBondContact O-N 3.16Å; V132-Q134 VanDerWaalsContact O-N 3.14Å
135M92.3Very high91.9Very high3 Ų354.2 Ų54.22%0.01527%0.273CS..  trans-60140.5173.1-73.5-179.6-178.500112G60 A61 L129 V132 R140 Y143G60-M135 WeakPolarHBondContact O-CA 3.32Å; G60-M135 WeakPolarHBondContact O-CG 3.4Å; A61-M135 HydrophobicContact CB-CE 4.32Å; A61-M135 HydrophobicContact CB-CG 3.94Å; L129-M135 HydrophobicContact CB-CE 3.35Å; L129-M135 HydrophobicContact CD1-CE 3.55Å; L129-M135 HydrophobicContact CD2-CE 3.97Å; L129-M135 HydrophobicContact CG-CE 3.8Å; V132-M135 HydrophobicContact CB-CE 4.11Å; V132-M135 HydrophobicContact CG1-CE 3.9Å; V132-M135 HydrophobicContact CG1-SD 3.88Å; V132-M135 HydrophobicContact CG2-CE 3.84Å; V132-M135 WeakPolarHBondContact O-CB 3.36Å; V132-M135 WeakPolarHBondContact O-CG 3.35Å; V132-M135 PolarHBondContact O-N 3.44Å; V132-M135 VanDerWaalsContact O-N 3.08Å; M135-R140 HydrophobicContact CB-CG 3.56Å; M135-R140 PolarHBondContact O-NE 3.46Å; M135-R140 PolarHBondContact O-NH1 3.29Å; M135-R140 PolarHBondContact O-NH2 3.48Å; M135-R140 HydrophobicContact SD-CG 4.46Å; M135-Y143 HydrophobicContact SD-CD2 4.48Å
136G88.8Confident90.9Very high41 Ų4159.7 Ų59.742%0.42330%0.303SS..  trans-61.8157.3169.400000112.1M138 S139 R140G136-M138 VanDerWaalsContact C-N 3.34Å; G136-M138 PolarHBondContact O-N 3.36Å; G136-S139 PolarHBondContact O-N 3.03Å; G136-S139 VanDerWaalsContact O-N 3.1Å; G136-R140 WeakPolarHBondContact O-CG 3.39Å; G136-R140 PolarHBondContact O-N 2.9Å
137F88.6Confident90.1Very high164 Ų16460.6 Ų60.672%0.71931%0.31SS*.Hα-helixtrans-53.1-47.8-177.3177.2-96.7000113.1R140 L141F137-R140 PolarHBondContact O-N 2.96Å; F137-L141 PolarHBondContact O-N 2.97Å
138M89.1Confident89.4Confident127 Ų12770 Ų7063%0.62635%0.346SS*.Hα-helixtrans-64.9-41.9178-67-57.9-66.200112G136 R140 L141 V142G136-M138 VanDerWaalsContact C-N 3.34Å; G136-M138 PolarHBondContact O-N 3.36Å; M138-R140 VanDerWaalsContact C-N 3.33Å; M138-R140 PolarHBondContact O-N 3.42Å; M138-L141 WeakPolarHBondContact O-CB 3.48Å; M138-L141 PolarHBondContact O-N 3.24Å; M138-L141 VanDerWaalsContact O-N 3.12Å; M138-V142 WeakPolarHBondContact O-CG2 3.36Å; M138-V142 PolarHBondContact O-N 2.9Å
139S89.6Confident89Confident28 Ų2873.7 Ų73.720%0.19636%0.36CS..Hα-helixtrans-63.5-38.6177.6-51.20000111.7G60 G136 L141 V142 Y143G60-S139 WeakPolarHBondContact CA-OG 3.2Å; G60-S139 VanDerWaalsContact O-CB 3.24Å; G60-S139 WeakPolarHBondContact O-CB 3.41Å; G60-S139 PolarHBondContact O-OG 3.05Å; G136-S139 PolarHBondContact O-N 3.03Å; G136-S139 VanDerWaalsContact O-N 3.1Å; S139-L141 PolarHBondContact O-N 3.36Å; S139-V142 PolarHBondContact O-N 3.09Å; S139-Y143 WeakPolarHBondContact O-CD2 3.45Å; S139-Y143 PolarHBondContact O-N 3.25Å
140R89.8Confident88.8Confident124 Ų12473.9 Ų73.947%0.46836%0.361SS..Hα-helixtrans-59.2-35.3173.8-72-173.5-175.4127.2-2.6112.5S133 M135 G136 F137 M138 R144S133-R140 PolarHBondContact O-NH2 3.18Å; M135-R140 HydrophobicContact CB-CG 3.56Å; M135-R140 PolarHBondContact O-NE 3.46Å; M135-R140 PolarHBondContact O-NH1 3.29Å; M135-R140 PolarHBondContact O-NH2 3.48Å; M135-R140 HydrophobicContact SD-CG 4.46Å; G136-R140 WeakPolarHBondContact O-CG 3.39Å; G136-R140 PolarHBondContact O-N 2.9Å; F137-R140 PolarHBondContact O-N 2.96Å; M138-R140 VanDerWaalsContact C-N 3.33Å; M138-R140 PolarHBondContact O-N 3.42Å; R140-R144 WeakPolarHBondContact O-CA 3.24Å; R140-R144 WeakPolarHBondContact O-CB 3.37Å; R140-R144 PolarHBondContact O-N 3.11Å
141L87.5Confident88.7Confident81 Ų8174.7 Ų74.742%0.42437%0.366SS..Hα-helixtrans-72.2-45.1175.2-175.464.1000111.7F137 M138 S139 R144 W149F137-L141 PolarHBondContact O-N 2.97Å; M138-L141 WeakPolarHBondContact O-CB 3.48Å; M138-L141 PolarHBondContact O-N 3.24Å; M138-L141 VanDerWaalsContact O-N 3.12Å; S139-L141 PolarHBondContact O-N 3.36Å; L141-R144 VanDerWaalsContact O-CB 3.27Å; L141-R144 WeakPolarHBondContact O-CB 3.21Å; L141-R144 PolarHBondContact O-N 3.46Å; L141-W149 PolarHBondContact O-NE1 2.67Å
142V84.3Confident88.7Confident58 Ų5874.4 Ų74.435%0.35236%0.364SS..Hα-helixtrans-62.4-43.7180170.50000111.8M138 S139 R144 W149M138-V142 WeakPolarHBondContact O-CG2 3.36Å; M138-V142 PolarHBondContact O-N 2.9Å; S139-V142 PolarHBondContact O-N 3.09Å; V142-R144 VanDerWaalsContact C-N 3.35Å; V142-W149 PolarHBondContact O-NE1 3.5Å
143Y86.9Confident88.9Confident18 Ų1873.5 Ų73.57%0.07136%0.359CS..THydrogen-bonded Turntrans-95.615.7-177.6-59.3-67.5000113.3H64 R110 H114 H127 L129 M135 S139 L145 F150H64-Y143 AromaticContact CE1-CZ 3.85Å; H64-Y143 PolarHBondContact CE1-OH 2.85Å; R110-Y143 WeakPolarHBondContact CD-O 3.43Å; R110-Y143 PolarHBondContact NH1-O 2.95Å; H114-Y143 AromaticContact CE1-CE1 3.82Å; H114-Y143 AromaticContact NE2-CE1 3.41Å; H114-Y143 WeakPolarHBondContact NE2-CE1 3.39Å; H127-Y143 HydrophobicContact CB-CE1 4.48Å; H127-Y143 AromaticContact ND1-CE1 3.9Å; L129-Y143 HydrophobicContact CD1-CD1 3.51Å; L129-Y143 HydrophobicContact CD1-CD2 3.92Å; L129-Y143 HydrophobicContact CD1-CE1 3.98Å; L129-Y143 HydrophobicContact CD1-CE2 4.38Å; L129-Y143 HydrophobicContact CD1-CG 3.48Å; L129-Y143 VanDerWaalsContact CD1-CG 3.48Å; L129-Y143 HydrophobicContact CD2-CD2 4.3Å; L129-Y143 HydrophobicContact CD2-CE2 4.16Å; M135-Y143 HydrophobicContact SD-CD2 4.48Å; S139-Y143 WeakPolarHBondContact O-CD2 3.45Å; S139-Y143 PolarHBondContact O-N 3.25Å; Y143-L145 PolarHBondContact O-N 3.41Å; Y143-F150 AromaticContact CD1-CD2 3.93Å; Y143-F150 HydrophobicContact CD1-CD2 3.93Å; Y143-F150 AromaticContact CD1-CE2 3.61Å; Y143-F150 HydrophobicContact CD1-CE2 3.61Å; Y143-F150 HydrophobicContact CD1-CZ 4.22Å; Y143-F150 HydrophobicContact CE1-CE2 4.29Å
144R86.8Confident89Confident150 Ų15075.5 Ų75.557%0.56636%0.364SS*.  trans-62129.2-173.9-179.2178.4161.4163.1-4.1111.4R140 L141 V142 S147R140-R144 WeakPolarHBondContact O-CA 3.24Å; R140-R144 WeakPolarHBondContact O-CB 3.37Å; R140-R144 PolarHBondContact O-N 3.11Å; L141-R144 VanDerWaalsContact O-CB 3.27Å; L141-R144 WeakPolarHBondContact O-CB 3.21Å; L141-R144 PolarHBondContact O-N 3.46Å; V142-R144 VanDerWaalsContact C-N 3.35Å; R144-S147 WeakPolarHBondContact CB-OG 3.34Å; R144-S147 WeakPolarHBondContact O-CB 3.5Å; R144-S147 PolarHBondContact O-OG 2.86Å
145L82.9Confident89.1Confident77 Ų7772.2 Ų72.240%0.40335%0.349SS..THydrogen-bonded Turntrans-58.9148.1173.4-59.6178.8000111.3Y143 S147 T152Y143-L145 PolarHBondContact O-N 3.41Å; L145-S147 VanDerWaalsContact C-N 3.27Å; L145-S147 PolarHBondContact O-N 3.08Å; L145-T152 HydrophobicContact CD2-CG2 3.38Å
146N76.5Confident89.3Confident132 Ų13272.1 Ų72.171%0.70635%0.348SS*.THydrogen-bonded Turntrans59.434.1178.7-54.5-33.2000113.8Q155N146-Q155 PolarHBondContact OD1-NE2 3.39Å
147S83.1Confident89.6Confident19 Ų1971.1 Ų71.113%0.13333%0.333CS..BIsolated β-bridgetrans-102.7156.7175-50.90000110.9R144 L145 W149R144-S147 WeakPolarHBondContact CB-OG 3.34Å; R144-S147 WeakPolarHBondContact O-CB 3.5Å; R144-S147 PolarHBondContact O-OG 2.86Å; L145-S147 VanDerWaalsContact C-N 3.27Å; L145-S147 PolarHBondContact O-N 3.08Å; S147-W149 PolarHBondContact O-N 3.44Å; S147-W149 VanDerWaalsContact O-N 3.11Å
148Y83.4Confident89.9Confident206 Ų20669.7 Ų69.781%0.80833%0.329SS*.THydrogen-bonded Turntrans-67.3-10.1178.7-64-76.2000114.7
149W89Confident90.1Very high77 Ų7766.8 Ų66.829%0.29232%0.315SS..THydrogen-bonded Turntrans-118.6-1-173.658.883.5000114.1H114 W115 F118 L141 V142 S147H114-W149 CarbonylContact C-O 3.51Å; H114-W149 WeakPolarHBondContact CA-O 3.37Å; H114-W149 PolarHBondContact ND1-O 3.31Å; W115-W149 PolarHBondContact N-O 3.34Å; F118-W149 HydrophobicContact CB-CB 3.72Å; F118-W149 HydrophobicContact CD1-CB 4.49Å; F118-W149 HydrophobicContact CD2-CB 3.52Å; F118-W149 HydrophobicContact CE2-CB 4.25Å; F118-W149 HydrophobicContact CG-CB 3.66Å; L141-W149 PolarHBondContact O-NE1 2.67Å; V142-W149 PolarHBondContact O-NE1 3.5Å; S147-W149 PolarHBondContact O-N 3.44Å; S147-W149 VanDerWaalsContact O-N 3.11Å
150F93.3Very high90.3Very high3 Ų365.5 Ų65.51%0.01331%0.306CS..EExtended strand (participates in β ladder)trans-144.8128.8179-169.8-93.2000111R110 G112 F113 H114 H127 Y143R110-F150 HydrophobicContact CG-CE1 4.01Å; R110-F150 HydrophobicContact CG-CZ 4.17Å; G112-F150 VanDerWaalsContact CA-CZ 3.4Å; F113-F150 WeakPolarHBondContact O-CA 3.46Å; F113-F150 WeakPolarHBondContact O-CD2 3.38Å; H114-F150 AromaticContact CE1-CD2 3.93Å; H114-F150 AromaticContact ND1-CD2 3.82Å; H127-F150 HydrophobicContact CB-CE2 4.47Å; Y143-F150 AromaticContact CD1-CD2 3.93Å; Y143-F150 HydrophobicContact CD1-CD2 3.93Å; Y143-F150 AromaticContact CD1-CE2 3.61Å; Y143-F150 HydrophobicContact CD1-CE2 3.61Å; Y143-F150 HydrophobicContact CD1-CZ 4.22Å; Y143-F150 HydrophobicContact CE1-CE2 4.29Å
151V94.8Very high90.5Very high17 Ų1763 Ų6310%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-122.2139178.667.40000109.5G112 F113 W115 Q155 L156G112-V151 CarbonylContact C-O 3.56Å; G112-V151 WeakPolarHBondContact CA-O 3.32Å; F113-V151 HydrophobicContact CB-CG1 4.06Å; F113-V151 PolarHBondContact N-O 3.12Å; F113-V151 PolarHBondContact O-N 3.43Å; W115-V151 HydrophobicContact CE3-CB 4.24Å; W115-V151 HydrophobicContact CE3-CG1 3.72Å; W115-V151 HydrophobicContact CZ3-CG1 4.17Å; V151-Q155 HydrophobicContact CG2-CB 3.53Å; V151-L156 HydrophobicContact CG1-CB 4.43Å; V151-L156 HydrophobicContact CG2-CB 4.41Å
152T96.8Very high90.6Very high21 Ų2161.7 Ų61.713%0.12930%0.3CS..EExtended strand (participates in β ladder)trans-73.2160.4174.368.90000111.2F111 L145 D154 Q155 L156F111-T152 WeakPolarHBondContact O-CA 3.45Å; L145-T152 HydrophobicContact CD2-CG2 3.38Å; T152-D154 VanDerWaalsContact C-N 3.27Å; T152-D154 PolarHBondContact O-N 3.2Å; T152-Q155 VanDerWaalsContact N-OE1 3.11Å; T152-Q155 PolarHBondContact O-N 2.89Å; T152-Q155 WeakPolarHBondContact OG1-CB 3.27Å; T152-Q155 WeakPolarHBondContact OG1-CG 3.37Å; T152-Q155 PolarHBondContact OG1-N 3.36Å; T152-Q155 VanDerWaalsContact OG1-N 3.12Å; T152-Q155 PolarHBondContact OG1-OE1 3.1Å; T152-L156 WeakPolarHBondContact O-CB 3.41Å; T152-L156 PolarHBondContact O-N 3.44Å
153A96.8Very high90.4Very high2 Ų263.3 Ų63.32%0.01730%0.302CS..Hα-helixtrans-59.1-40.5174.200000112V87 V91 F111 F113 L126 L156 I157V87-A153 HydrophobicContact CG1-CB 4.35Å; V91-A153 HydrophobicContact CG2-CB 3.5Å; V91-A153 VanDerWaalsContact CG2-CB 3.5Å; F111-A153 HydrophobicContact CB-CB 4.16Å; F111-A153 PolarHBondContact O-N 3.29Å; F113-A153 HydrophobicContact CE2-CB 4.2Å; L126-A153 HydrophobicContact CD1-CB 4.2Å; A153-L156 PolarHBondContact O-N 2.89Å; A153-I157 VanDerWaalsContact O-CG1 3.3Å; A153-I157 WeakPolarHBondContact O-CG1 3.13Å; A153-I157 PolarHBondContact O-N 3.29Å
154D95.9Very high89.2Confident109 Ų10966 Ų6658%0.58332%0.32SS*.Hα-helixtrans-65.3-46.7178.4-59.3-39.5000111.9T152 L156 I157 E158T152-D154 VanDerWaalsContact C-N 3.27Å; T152-D154 PolarHBondContact O-N 3.2Å; D154-L156 VanDerWaalsContact C-N 3.27Å; D154-L156 PolarHBondContact O-N 2.74Å; D154-I157 PolarHBondContact O-N 3.39Å; D154-I157 VanDerWaalsContact O-N 3.13Å; D154-E158 WeakPolarHBondContact O-CG 3.4Å; D154-E158 PolarHBondContact O-N 3Å
155Q95.3Very high87.8Confident59 Ų5966.9 Ų66.928%0.27633%0.331SS..Hα-helixtrans-59.5-39175.2-75.2173.5-26.400111.8N146 V151 T152 L159N146-Q155 PolarHBondContact OD1-NE2 3.39Å; V151-Q155 HydrophobicContact CG2-CB 3.53Å; T152-Q155 VanDerWaalsContact N-OE1 3.11Å; T152-Q155 PolarHBondContact O-N 2.89Å; T152-Q155 WeakPolarHBondContact OG1-CB 3.27Å; T152-Q155 WeakPolarHBondContact OG1-CG 3.37Å; T152-Q155 PolarHBondContact OG1-N 3.36Å; T152-Q155 VanDerWaalsContact OG1-N 3.12Å; T152-Q155 PolarHBondContact OG1-OE1 3.1Å; Q155-L159 WeakPolarHBondContact O-CB 3.31Å; Q155-L159 PolarHBondContact O-N 3.29Å
156L95.3Very high86.4Confident1 Ų168.8 Ų68.81%0.00535%0.345CS..Hα-helixtrans-65.6-44.1176-179.961.5000111C76 L79 V87 F113 W115 V151 T152 A153 D154 L159 L160C76-L156 HydrophobicContact CB-CD1 4.25Å; C76-L156 HydrophobicContact CB-CD2 3.79Å; L79-L156 HydrophobicContact CD1-CD2 4.13Å; V87-L156 HydrophobicContact CG1-CD2 4.43Å; V87-L156 HydrophobicContact CG2-CD2 4.22Å; F113-L156 HydrophobicContact CD2-CD2 3.53Å; F113-L156 HydrophobicContact CE2-CD2 3.52Å; F113-L156 HydrophobicContact CG-CD2 4.16Å; F113-L156 HydrophobicContact CZ-CD2 4.16Å; W115-L156 HydrophobicContact CZ3-CD1 4.18Å; V151-L156 HydrophobicContact CG1-CB 4.43Å; V151-L156 HydrophobicContact CG2-CB 4.41Å; T152-L156 WeakPolarHBondContact O-CB 3.41Å; T152-L156 PolarHBondContact O-N 3.44Å; A153-L156 PolarHBondContact O-N 2.89Å; D154-L156 VanDerWaalsContact C-N 3.27Å; D154-L156 PolarHBondContact O-N 2.74Å; L156-L159 PolarHBondContact O-N 2.64Å; L156-L160 HydrophobicContact CD1-CG 4.35Å; L156-L160 HydrophobicContact CG-CD1 4.34Å; L156-L160 VanDerWaalsContact O-CG 3.25Å; L156-L160 WeakPolarHBondContact O-CG 3.27Å; L156-L160 PolarHBondContact O-N 3.07Å
157I96.3Very high84.8Confident21 Ų2173.5 Ų73.511%0.10836%0.363CS..Hα-helixtrans-61.4-45.7177.2-71.3164.5000110.8V84 V87 K88 A153 D154 L159 L160 N161V84-I157 HydrophobicContact CG1-CG2 4.03Å; V87-I157 HydrophobicContact CB-CG1 4.27Å; V87-I157 HydrophobicContact CG1-CD1 4.03Å; V87-I157 HydrophobicContact CG1-CG1 3.87Å; K88-I157 HydrophobicContact CG-CD1 3.86Å; A153-I157 VanDerWaalsContact O-CG1 3.3Å; A153-I157 WeakPolarHBondContact O-CG1 3.13Å; A153-I157 PolarHBondContact O-N 3.29Å; D154-I157 PolarHBondContact O-N 3.39Å; D154-I157 VanDerWaalsContact O-N 3.13Å; I157-L159 VanDerWaalsContact C-N 3.34Å; I157-L159 PolarHBondContact O-N 2.91Å; I157-L160 PolarHBondContact O-N 2.9Å; I157-N161 PolarHBondContact O-N 2.99Å; I157-N161 PolarHBondContact O-ND2 3.35Å; I157-N161 VanDerWaalsContact O-ND2 3.1Å
158E95.2Very high84.9Confident134 Ų13476.3 Ų76.363%0.62637%0.374SS*.Hα-helixtrans-57.6-46.2174.9-73.3174.5-175.800111.6D154 L160 N161 S162D154-E158 WeakPolarHBondContact O-CG 3.4Å; D154-E158 PolarHBondContact O-N 3Å; E158-L160 VanDerWaalsContact C-N 3.32Å; E158-L160 PolarHBondContact O-N 2.87Å; E158-N161 PolarHBondContact O-N 3.12Å; E158-S162 PolarHBondContact O-N 3.34Å; E158-S162 PolarHBondContact O-OG 3.41Å
159L93Very high85Confident65 Ų6569.4 Ų69.434%0.3435%0.352SS..Hα-helixtrans-61.4-38176.7-178.468.3000112.7W115 Q155 L156 I157 S162 K163W115-L159 HydrophobicContact CH2-CD2 3.54Å; W115-L159 HydrophobicContact CZ2-CD2 4.46Å; W115-L159 HydrophobicContact CZ3-CD2 4.09Å; Q155-L159 WeakPolarHBondContact O-CB 3.31Å; Q155-L159 PolarHBondContact O-N 3.29Å; L156-L159 PolarHBondContact O-N 2.64Å; I157-L159 VanDerWaalsContact C-N 3.34Å; I157-L159 PolarHBondContact O-N 2.91Å; L159-S162 PolarHBondContact O-OG 2.54Å; L159-K163 WeakPolarHBondContact O-CG 3Å; L159-K163 PolarHBondContact O-N 3.24Å
160L93.7Very high84.8Confident1 Ų169 Ų691%0.00536%0.355CS..Hα-helixtrans-70.9-33.4178.6-68.6179.9000112.3L79 V84 V87 L156 I157 E158L79-L160 HydrophobicContact CB-CD1 4.02Å; L79-L160 HydrophobicContact CB-CD2 3.86Å; L79-L160 HydrophobicContact CD1-CD1 4.43Å; L79-L160 VanDerWaalsContact O-CD2 3.28Å; L79-L160 WeakPolarHBondContact O-CD2 3.32Å; V84-L160 HydrophobicContact CG2-CB 3.69Å; V84-L160 HydrophobicContact CG2-CD1 3.97Å; V87-L160 HydrophobicContact CG2-CD1 4.5Å; L156-L160 HydrophobicContact CD1-CG 4.35Å; L156-L160 HydrophobicContact CG-CD1 4.34Å; L156-L160 VanDerWaalsContact O-CG 3.25Å; L156-L160 WeakPolarHBondContact O-CG 3.27Å; L156-L160 PolarHBondContact O-N 3.07Å; I157-L160 PolarHBondContact O-N 2.9Å; E158-L160 VanDerWaalsContact C-N 3.32Å; E158-L160 PolarHBondContact O-N 2.87Å
161N92.9Very high84.3Confident72 Ų7272.9 Ų72.939%0.38538%0.375SS..Hα-helixtrans-73.8-39.9176.2-70.1-38.9000112I157 E158 K163 V164I157-N161 PolarHBondContact O-N 2.99Å; I157-N161 PolarHBondContact O-ND2 3.35Å; I157-N161 VanDerWaalsContact O-ND2 3.1Å; E158-N161 PolarHBondContact O-N 3.12Å; N161-K163 VanDerWaalsContact C-N 3.3Å; N161-K163 PolarHBondContact O-N 2.69Å; N161-V164 WeakPolarHBondContact O-CB 3.43Å; N161-V164 PolarHBondContact O-N 3.23Å
162S90.3Very high83.6Confident53 Ų5376.4 Ų76.437%0.37139%0.392SS..Hα-helixtrans-70.1-22.8-178.164.40000114.2E158 L159 V164 E165E158-S162 PolarHBondContact O-N 3.34Å; E158-S162 PolarHBondContact O-OG 3.41Å; L159-S162 PolarHBondContact O-OG 2.54Å; S162-V164 PolarHBondContact O-N 3.14Å; S162-V164 VanDerWaalsContact O-N 3.08Å; S162-E165 PolarHBondContact O-N 3.26Å; S162-E165 VanDerWaalsContact O-N 3.09Å
163K79.5Confident82.8Confident92 Ų9280.1 Ų80.140%0.441%0.41SS..THydrogen-bonded Turntrans-59.4-16.1171.5-78179-177.9-1790113.8L79 L159 N161 T166L79-K163 PolarHBondContact O-NZ 3.31Å; L159-K163 WeakPolarHBondContact O-CG 3Å; L159-K163 PolarHBondContact O-N 3.24Å; N161-K163 VanDerWaalsContact C-N 3.3Å; N161-K163 PolarHBondContact O-N 2.69Å; K163-T166 PolarHBondContact O-OG1 3.49Å
164V63.2Low81.8Confident74 Ų7485.6 Ų85.645%0.44844%0.438SS..THydrogen-bonded Turntrans-77.6-31.1175.9178.40000112.1I81 N161 S162 T166I81-V164 HydrophobicContact CB-CG2 4.26Å; I81-V164 HydrophobicContact CD1-CG2 3.33Å; I81-V164 HydrophobicContact CG1-CG2 4.36Å; I81-V164 HydrophobicContact CG2-CG2 4.3Å; N161-V164 WeakPolarHBondContact O-CB 3.43Å; N161-V164 PolarHBondContact O-N 3.23Å; S162-V164 PolarHBondContact O-N 3.14Å; S162-V164 VanDerWaalsContact O-N 3.08Å; V164-T166 PolarHBondContact O-N 3.37Å
165E57Low80.7Confident170 Ų17083.8 Ų83.879%0.79443%0.427SS*.THydrogen-bonded Turntrans-78.7-2.3-174-59.6-176.2168.600113.4S162S162-E165 PolarHBondContact O-N 3.26Å; S162-E165 VanDerWaalsContact O-N 3.09Å
166T52.9Low79.5Confident116 Ų11685.9 Ų85.971%0.71244%0.439SS*.THydrogen-bonded Turntrans-10511.1-178.926.60000113.7K163 V164K163-T166 PolarHBondContact O-OG1 3.49Å; V164-T166 PolarHBondContact O-N 3.37Å
167H44.4Very low78Confident232 Ų23293.6 Ų93.6100%1.07448%0.479SS*.  trans-129.20172.5-79.1-66.3000111

Retrieved 167 of 167 residues in 410.9 ms (Link to these results)

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