A0A077Z698_TRITR Loading...

Large ribosomal subunit protein eL21

AlphaFold DB , UniProt , Accession A0A077Z698, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 160 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
1M65.7Low91.7Very high244 Ų244123.5 Ų123.5100%1.20264%0.643SS**  0121.60-142.5175.5-166.800108.7
2V90.3Very high92Very high146 Ų146129.7 Ų129.789%0.88565%0.652SS**PPolyproline II helixtrans-88136.7-179.5-69.30000110.7
3N91Very high92.3Very high109 Ų109133.8 Ų133.858%0.58366%0.657SS**PPolyproline II helixtrans-73.4150.6176.4-56.369.2000111.6
4T94.9Very high92.5Very high106 Ų106129.1 Ų129.165%0.6564%0.635SS**PPolyproline II helixtrans-60.6151.3173.154.90000112.3R9T4-R9 WeakPolarHBondContact O-CD 3.42Å; T4-R9 PolarHBondContact O-NH1 3.17Å
5K93.8Very high92.8Very high208 Ų208121.2 Ų121.290%0.90460%0.596SS**  trans-102.921.4-175.7-65.2179.7-177.8171.20113.9
6G95.6Very high92.9Very high39 Ų39117 Ų11740%0.40259%0.587SS.*  trans-62.4146.4-176.700000114.3R8 R9G6-R8 VanDerWaalsContact C-N 3.26Å; G6-R8 PolarHBondContact O-N 3.29Å; G6-R9 WeakPolarHBondContact O-CB 3.41Å; G6-R9 PolarHBondContact O-N 3.19Å; G6-R9 VanDerWaalsContact O-N 3.15Å
7Y95Very high93Very high193 Ų193113.4 Ų113.476%0.75756%0.564SS**THydrogen-bonded Turntrans-55.1-37.5-178.4-86.2-85.3000113.8Y54Y7-Y54 HydrophobicContact CD1-CD2 4.03Å; Y7-Y54 HydrophobicContact CD1-CE2 4.37Å; Y7-Y54 WeakPolarHBondContact O-CD2 3.28Å; Y7-Y54 WeakPolarHBondContact O-CE2 3.5Å
8R94.9Very high93.2Very high124 Ų124111 Ų11147%0.46856%0.559SS.*THydrogen-bonded Turntrans-108.120.2-178.4-60.9-174.976.8178.74.1113.4G6 G10 T11G6-R8 VanDerWaalsContact C-N 3.26Å; G6-R8 PolarHBondContact O-N 3.29Å; R8-G10 PolarHBondContact O-N 3.35Å; R8-T11 PolarHBondContact O-N 3.32Å; R8-T11 PolarHBondContact O-OG1 3.46Å
9R95.8Very high93.4Very high103 Ų103113.8 Ų113.839%0.38957%0.567SS.*THydrogen-bonded Turntrans-61128.5175.7-174.8-165.9118.7-160.42.9110.3T4 G6 K55T4-R9 WeakPolarHBondContact O-CD 3.42Å; T4-R9 PolarHBondContact O-NH1 3.17Å; G6-R9 WeakPolarHBondContact O-CB 3.41Å; G6-R9 PolarHBondContact O-N 3.19Å; G6-R9 VanDerWaalsContact O-N 3.15Å; R9-K55 WeakPolarHBondContact O-CD 3.46Å; R9-K55 PolarHBondContact O-NZ 3.45Å
10G95.2Very high93.5Very high73 Ų73118.8 Ų118.875%0.75358%0.579SS**THydrogen-bonded Turntrans73.626.4174.700000114.1R8R8-G10 PolarHBondContact O-N 3.35Å
11T96.5Very high93.5Very high13 Ų13119.7 Ų119.78%0.0858%0.58CS.*  trans-106.819.8179.567.30000113.7R8 Y13 L14 F15 K55R8-T11 PolarHBondContact O-N 3.32Å; R8-T11 PolarHBondContact O-OG1 3.46Å; T11-Y13 PolarHBondContact O-N 3.48Å; T11-L14 HydrophobicContact CG2-CD2 4.38Å; T11-L14 PolarHBondContact O-N 3.03Å; T11-F15 HydrophobicContact CG2-CD2 3.86Å; T11-F15 HydrophobicContact CG2-CE2 3.64Å; T11-F15 HydrophobicContact CG2-CZ 4.46Å; T11-F15 PolarHBondContact O-N 3.36Å; T11-F15 VanDerWaalsContact O-N 3.16Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.47Å; T11-K55 HydrophobicContact CG2-CB 3.65Å; T11-K55 HydrophobicContact CG2-CD 3.84Å; T11-K55 HydrophobicContact CG2-CG 4.37Å
12R95Very high94.8Very high198 Ų198114.4 Ų114.475%0.74755%0.552SS**THydrogen-bonded Turntrans-51.8-54.3-176-170.6-176.2-162.6-176.17.8111.7A16R12-A16 WeakPolarHBondContact O-CB 3.12Å
13Y96.2Very high95Very high183 Ų183110.1 Ų110.172%0.71854%0.538SS*.THydrogen-bonded Turntrans-89.4-28.1178.9-54.7-68.7000112.9T11 F15 A16T11-Y13 PolarHBondContact O-N 3.48Å; Y13-F15 PolarHBondContact O-N 2.95Å; Y13-A16 WeakPolarHBondContact O-CB 3.43Å; Y13-A16 PolarHBondContact O-N 3.22Å
14L95.6Very high95.1Very high68 Ų68111.8 Ų111.836%0.35655%0.552SS.*THydrogen-bonded Turntrans-67.3-34.1-174.2-174141.3000113.3T11 K55 H58T11-L14 HydrophobicContact CG2-CD2 4.38Å; T11-L14 PolarHBondContact O-N 3.03Å; L14-K55 HydrophobicContact CD2-CB 4.29Å; L14-H58 HydrophobicContact CD1-CB 4.39Å; L14-H58 HydrophobicContact CD2-CB 3.84Å; L14-H58 HydrophobicContact CG-CB 4.37Å; L14-H58 PolarHBondContact O-CE1 3.33Å; L14-H58 VanDerWaalsContact O-CE1 3.26Å
15F96Very high95Very high11 Ų11108.1 Ų108.15%0.04853%0.528CS..THydrogen-bonded Turntrans-106.46.8174.4-65.6-39.2000113.2T11 Y13 G46 M52 P53 K55 H58T11-F15 HydrophobicContact CG2-CD2 3.86Å; T11-F15 HydrophobicContact CG2-CE2 3.64Å; T11-F15 HydrophobicContact CG2-CZ 4.46Å; T11-F15 PolarHBondContact O-N 3.36Å; T11-F15 VanDerWaalsContact O-N 3.16Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.47Å; Y13-F15 PolarHBondContact O-N 2.95Å; F15-G46 WeakPolarHBondContact O-CA 3.5Å; F15-G46 PolarHBondContact O-N 3.43Å; F15-M52 HydrophobicContact CB-CE 3.76Å; F15-M52 HydrophobicContact CD1-CE 3.43Å; F15-M52 VanDerWaalsContact CD1-CE 3.43Å; F15-M52 HydrophobicContact CD1-SD 4.46Å; F15-M52 HydrophobicContact CD2-CE 3.77Å; F15-M52 HydrophobicContact CD2-SD 4.04Å; F15-M52 HydrophobicContact CE1-CE 3.88Å; F15-M52 HydrophobicContact CE1-SD 4.48Å; F15-M52 HydrophobicContact CE2-CE 4.18Å; F15-M52 HydrophobicContact CE2-SD 4.05Å; F15-M52 HydrophobicContact CG-CE 3.38Å; F15-M52 HydrophobicContact CG-SD 4.26Å; F15-M52 HydrophobicContact CZ-CE 4.24Å; F15-M52 HydrophobicContact CZ-SD 4.28Å; F15-P53 WeakPolarHBondContact CZ-O 3.04Å; F15-K55 HydrophobicContact CZ-CB 4.3Å; F15-H58 AromaticContact CE1-ND1 3.78Å
16A95.3Very high95.1Very high54 Ų54101.6 Ų101.645%0.44651%0.506SS..PPolyproline II helixtrans-65.8149.3175.500000110.9R12 Y13R12-A16 WeakPolarHBondContact O-CB 3.12Å; Y13-A16 WeakPolarHBondContact O-CB 3.43Å; Y13-A16 PolarHBondContact O-N 3.22Å
17R94.9Very high95.1Very high55 Ų55105.7 Ų105.721%0.20852%0.518CS..PPolyproline II helixtrans-73.9144167.7-70.1-64.9-62.7-174.5-11.9109.4K21 E25 N45R17-K21 VanDerWaalsContact CZ-O 3.22Å; R17-K21 PolarHBondContact NE-O 3.4Å; R17-K21 PolarHBondContact NH2-O 3Å; R17-E25 IonicContact CZ-OE2 3.59Å; R17-E25 IonicContact NH1-OE2 3.89Å; R17-E25 PolarHBondContact NH1-OE2 3.12Å; R17-E25 IonicContact NH2-OE2 3.35Å; R17-E25 PolarHBondContact NH2-OE2 3.38Å; R17-N45 WeakPolarHBondContact CD-OD1 3.48Å; R17-N45 PolarHBondContact NH1-ND2 3.31Å; R17-N45 PolarHBondContact NH1-OD1 2.84Å
18P95.8Very high95.2Very high71 Ų71100.9 Ų100.946%0.46151%0.509SS..PPolyproline II helixtrans-61.9153.8172.9-18.230.3000111.6R20 K21P18-R20 PolarHBondContact O-N 3.38Å; P18-K21 HydrophobicContact CB-CB 4.16Å; P18-K21 HydrophobicContact CB-CD 4.32Å; P18-K21 HydrophobicContact CB-CG 4.37Å; P18-K21 HydrophobicContact CG-CB 4.42Å; P18-K21 PolarHBondContact O-N 3.33Å
19F96.3Very high95.2Very high164 Ų16495.8 Ų95.872%0.71949%0.492SS*.THydrogen-bonded Turntrans-52.8134.1176.5-176.6-116.2000111.6K21F19-K21 PolarHBondContact O-N 3.05Å; F19-K21 VanDerWaalsContact O-N 3.1Å
20R95.3Very high95.1Very high213 Ų21395 Ų9580%0.80449%0.491SS*.THydrogen-bonded Turntrans54.224-177-62.2177.9-179.5179.11.4114.7P18P18-R20 PolarHBondContact O-N 3.38Å
21K94.5Very high95.1Very high139 Ų13998 Ų9860%0.60449%0.489SS*.  trans-123.633.7173.2-61.6-162176.1-170.20112.2R17 P18 F19R17-K21 VanDerWaalsContact CZ-O 3.22Å; R17-K21 PolarHBondContact NE-O 3.4Å; R17-K21 PolarHBondContact NH2-O 3Å; P18-K21 HydrophobicContact CB-CB 4.16Å; P18-K21 HydrophobicContact CB-CD 4.32Å; P18-K21 HydrophobicContact CB-CG 4.37Å; P18-K21 HydrophobicContact CG-CB 4.42Å; P18-K21 PolarHBondContact O-N 3.33Å; F19-K21 PolarHBondContact O-N 3.05Å; F19-K21 VanDerWaalsContact O-N 3.1Å
22H93.9Very high95.1Very high132 Ų132102.8 Ų102.861%0.61151%0.506SS*.  trans-82.3166172.5-59.8-90.8000110.5
23G92.8Very high95.1Very high57 Ų5799 Ų9959%0.58851%0.505SS*.SBendtrans91.4-148.9179.100000113.7
24T94.2Very high95.1Very high143 Ų14391.2 Ų91.288%0.87747%0.474SS*.PPolyproline II helixtrans-66.5134-171.5-25.90000111.8
25E93.3Very high95.1Very high30 Ų3094.8 Ų94.814%0.1449%0.487CS..PPolyproline II helixtrans-79.1141.1175.4-164.268.3-149.100109.9R17 T29 F30 N45 F48R17-E25 IonicContact CZ-OE2 3.59Å; R17-E25 IonicContact NH1-OE2 3.89Å; R17-E25 PolarHBondContact NH1-OE2 3.12Å; R17-E25 IonicContact NH2-OE2 3.35Å; R17-E25 PolarHBondContact NH2-OE2 3.38Å; E25-T29 HydrophobicContact CG-CG2 4.29Å; E25-F30 HydrophobicContact CB-CE2 4.23Å; E25-F30 HydrophobicContact CB-CZ 4.46Å; E25-N45 PolarHBondContact OE2-ND2 3Å; E25-F48 HydrophobicContact CB-CE2 3.87Å; E25-F48 HydrophobicContact CB-CZ 4.05Å; E25-F48 HydrophobicContact CG-CE2 4.36Å
26P95.4Very high95.2Very high70 Ų70100.8 Ų100.846%0.45552%0.517SS..PPolyproline II helixtrans-58.6141.2176.823.3-36000112.3T28 T29P26-T28 PolarHBondContact O-N 2.91Å; P26-T28 VanDerWaalsContact O-N 3.08Å; P26-T29 WeakPolarHBondContact O-CB 3.23Å; P26-T29 PolarHBondContact O-N 3.01Å; P26-T29 PolarHBondContact O-OG1 3.2Å
27L95.9Very high95.2Very high125 Ų125100.3 Ų100.365%0.65452%0.517SS*.G310 helixtrans-57-26.7-178.9-68.6174.3000113.5T29 F30 L31L27-T29 PolarHBondContact O-N 3.29Å; L27-T29 VanDerWaalsContact O-N 3.08Å; L27-F30 PolarHBondContact O-N 3.03Å; L27-L31 HydrophobicContact CB-CD1 4.26Å; L27-L31 WeakPolarHBondContact O-CG 3.5Å; L27-L31 PolarHBondContact O-N 3.09Å
28T95.4Very high95.2Very high93 Ų93100.7 Ų100.757%0.57152%0.523SS*.G310 helixtrans-57.3-24.1175.858.10000113.4P26 R32P26-T28 PolarHBondContact O-N 2.91Å; P26-T28 VanDerWaalsContact O-N 3.08Å; T28-R32 WeakPolarHBondContact O-CD 3.28Å; T28-R32 WeakPolarHBondContact O-CG 3.49Å
29T94.9Very high95.3Very high16 Ų1699 Ų9910%0.09851%0.51CS..G310 helixtrans-69.6-38.9175.6-52.80000111.6E25 P26 L27E25-T29 HydrophobicContact CG-CG2 4.29Å; P26-T29 WeakPolarHBondContact O-CB 3.23Å; P26-T29 PolarHBondContact O-N 3.01Å; P26-T29 PolarHBondContact O-OG1 3.2Å; L27-T29 PolarHBondContact O-N 3.29Å; L27-T29 VanDerWaalsContact O-N 3.08Å
30F95.2Very high95.3Very high86 Ų8691.2 Ų91.238%0.37748%0.476SS..THydrogen-bonded Turntrans-85.6-35.2-176.6-57.1-77.9000112.5E25 L27 R32 F48 V93 E94E25-F30 HydrophobicContact CB-CE2 4.23Å; E25-F30 HydrophobicContact CB-CZ 4.46Å; L27-F30 PolarHBondContact O-N 3.03Å; F30-R32 PolarHBondContact O-N 3.35Å; F30-F48 HydrophobicContact CE1-CZ 4.46Å; F30-F48 HydrophobicContact CZ-CE1 4.14Å; F30-F48 HydrophobicContact CZ-CE2 4.48Å; F30-F48 AromaticContact CZ-CZ 3.73Å; F30-F48 HydrophobicContact CZ-CZ 3.73Å; F30-V93 HydrophobicContact CD1-CG2 4.38Å; F30-E94 HydrophobicContact CD1-CG 4.29Å; F30-E94 HydrophobicContact CE1-CG 3.45Å; F30-E94 VanDerWaalsContact CE1-CG 3.45Å; F30-E94 HydrophobicContact CZ-CG 3.97Å
31L95.8Very high95.4Very high136 Ų13683.2 Ų83.271%0.71245%0.449SS*.SBendtrans-78.2-1.7-178.7-63.5174.5000113.7L27 V33L27-L31 HydrophobicContact CB-CD1 4.26Å; L27-L31 WeakPolarHBondContact O-CG 3.5Å; L27-L31 PolarHBondContact O-N 3.09Å; L31-V33 PolarHBondContact O-N 3.01Å
32R94.5Very high95.6Very high114 Ų11476.7 Ų76.743%0.4342%0.421SS..  trans-71.6124.2177.8-97.2169.1169.4178.3-4.4111.2T28 F30 Y34T28-R32 WeakPolarHBondContact O-CD 3.28Å; T28-R32 WeakPolarHBondContact O-CG 3.49Å; F30-R32 PolarHBondContact O-N 3.35Å; R32-Y34 HydrophobicContact CB-CE2 3.94Å; R32-Y34 WeakPolarHBondContact O-CD2 3.38Å
33V95.5Very high95.7Very high119 Ų11976 Ų7672%0.72142%0.416SS*.  trans-82.1129.2174.5-177.30000109.5L31 K35L31-V33 PolarHBondContact O-N 3.01Å; V33-K35 HydrophobicContact CG1-CG 4.49Å
34Y96.4Very high95.8Very high20 Ų2073.6 Ų73.68%0.07839%0.391CS..  trans-118135.6172-64.8-82.9000109.1R32 V40 L72 V93 V96 P98R32-Y34 HydrophobicContact CB-CE2 3.94Å; R32-Y34 WeakPolarHBondContact O-CD2 3.38Å; Y34-V40 HydrophobicContact CD1-CG1 3.78Å; Y34-V40 HydrophobicContact CE1-CG1 3.81Å; Y34-L72 HydrophobicContact CD1-CD1 3.93Å; Y34-L72 HydrophobicContact CD2-CD1 3.63Å; Y34-L72 HydrophobicContact CD2-CD2 4.41Å; Y34-L72 HydrophobicContact CE1-CD1 4.32Å; Y34-L72 HydrophobicContact CE2-CD1 4.03Å; Y34-L72 HydrophobicContact CG-CD1 3.55Å; Y34-L72 HydrophobicContact CG-CD2 4.24Å; Y34-V93 HydrophobicContact CD2-CG1 4.35Å; Y34-V93 HydrophobicContact CE2-CG1 4.26Å; Y34-V96 HydrophobicContact CE1-CG1 3.98Å; Y34-V96 PolarHBondContact OH-O 3.12Å; Y34-P98 HydrophobicContact CE1-CB 4.48Å
35K96.1Very high95.9Very high142 Ų14267.3 Ų67.362%0.61735%0.352SS*.  trans-112.5160.4177.2-62.1-177-178.3-176.20110.4V33 G37 D38V33-K35 HydrophobicContact CG1-CG 4.49Å; K35-G37 PolarHBondContact O-N 3Å; K35-D38 PolarHBondContact N-OD2 3.32Å; K35-D38 WeakPolarHBondContact O-CB 3.5Å; K35-D38 PolarHBondContact O-N 3.38Å
36M96.9Very high95.9Very high137 Ų13767.1 Ų67.168%0.67536%0.358SS*.THydrogen-bonded Turntrans-61.2133.2172.6-161-179.5-68.500109.6
37G95.8Very high95.9Very high44 Ų4466.4 Ų66.445%0.45436%0.358SS..THydrogen-bonded Turntrans89.8-8.8-176.800000115.6K35 V64K35-G37 PolarHBondContact O-N 3Å; G37-V64 PolarHBondContact N-O 2.89Å
38D96.4Very high95.9Very high63 Ų6363.1 Ų63.134%0.33734%0.339SS..  trans-63.5145.2176.3-75.9-17.5000111.7K35 R63 V64K35-D38 PolarHBondContact N-OD2 3.32Å; K35-D38 WeakPolarHBondContact O-CB 3.5Å; K35-D38 PolarHBondContact O-N 3.38Å; D38-R63 WeakPolarHBondContact O-CA 3.44Å; D38-V64 HydrophobicContact CB-CG2 4.36Å; D38-V64 PolarHBondContact O-N 2.84Å
39I97Very high95.8Very high36 Ų3663.4 Ų63.419%0.18534%0.34CS..EExtended strand (participates in β ladder)trans-91.7123.4176.1-58.5-177.2000108.7T61 G62 R63 S99 R102I39-T61 HydrophobicContact CG2-CG2 3.34Å; I39-G62 WeakPolarHBondContact CA-O 3.41Å; I39-R63 HydrophobicContact CG1-CG 4.25Å; I39-S99 PolarHBondContact O-N 2.9Å; I39-R102 HydrophobicContact CB-CB 4.47Å; I39-R102 HydrophobicContact CD1-CB 4.25Å; I39-R102 HydrophobicContact CD1-CG 4.32Å
40V97.2Very high95.9Very high0 Ų070 Ų700%037%0.368CS..EExtended strand (participates in β ladder)trans-129.5142.4-173.9-63.10000112.3Y34 T61 G62 V64 V74 V96 K97Y34-V40 HydrophobicContact CD1-CG1 3.78Å; Y34-V40 HydrophobicContact CE1-CG1 3.81Å; V40-T61 CarbonylContact O-C 3.53Å; V40-T61 VanDerWaalsContact O-CA 3.29Å; V40-T61 WeakPolarHBondContact O-CA 3.28Å; V40-T61 WeakPolarHBondContact O-CG2 3.37Å; V40-G62 PolarHBondContact N-O 3.45Å; V40-G62 PolarHBondContact O-N 2.7Å; V40-V64 HydrophobicContact CG1-CG2 3.73Å; V40-V64 HydrophobicContact CG2-CG2 3.94Å; V40-V74 HydrophobicContact CG2-CB 4.49Å; V40-V74 HydrophobicContact CG2-CG1 3.76Å; V40-V74 HydrophobicContact CG2-CG2 3.82Å; V40-V96 HydrophobicContact CB-CG1 3.46Å; V40-V96 VanDerWaalsContact CB-CG1 3.46Å; V40-V96 HydrophobicContact CG1-CG1 3.76Å; V40-V96 HydrophobicContact CG2-CG1 3.83Å; V40-K97 CarbonylContact C-O 3.46Å; V40-K97 WeakPolarHBondContact CA-O 3.36Å
41D97.3Very high96Very high46 Ų4667.8 Ų67.825%0.24637%0.369CS..EExtended strand (participates in β ladder)trans-97.5133.6174.3-62.1-39.2000109.7T61 K97 S99D41-T61 WeakPolarHBondContact OD1-CB 3.17Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.44Å; D41-T61 PolarHBondContact OD1-OG1 3.4Å; D41-K97 PolarHBondContact N-O 2.92Å; D41-K97 PolarHBondContact O-N 2.89Å; D41-S99 PolarHBondContact OD1-OG 3.42Å; D41-S99 WeakPolarHBondContact OD2-CA 3.39Å; D41-S99 VanDerWaalsContact OD2-CB 3.28Å; D41-S99 WeakPolarHBondContact OD2-CB 3.49Å; D41-S99 PolarHBondContact OD2-OG 2.81Å
42I97.3Very high96Very high1 Ų163 Ų631%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-96.3118.8-178.3-61165.1000109P53 Y57 G59 K60 V74 V76 I91I42-P53 HydrophobicContact CG2-CB 3.73Å; I42-P53 HydrophobicContact CG2-CG 3.65Å; I42-Y57 WeakPolarHBondContact CB-O 3.26Å; I42-Y57 WeakPolarHBondContact CG2-O 3.45Å; I42-G59 WeakPolarHBondContact O-CA 3.2Å; I42-G59 PolarHBondContact O-N 3.02Å; I42-K60 WeakPolarHBondContact CB-O 3.29Å; I42-K60 PolarHBondContact N-O 3.02Å; I42-V74 HydrophobicContact CD1-CG1 4.27Å; I42-V76 HydrophobicContact CD1-CG2 3.43Å; I42-V76 VanDerWaalsContact CD1-CG2 3.43Å; I42-I91 HydrophobicContact CD1-CD1 3.51Å; I42-I91 HydrophobicContact CG1-CD1 3.76Å; I42-I91 HydrophobicContact CG2-CD1 4Å
43K96.5Very high96.1Very high118 Ų11857.9 Ų57.951%0.51333%0.325SS..  trans-136.7101.9173.5-175165.4-175164.20109.8N45 H95K43-N45 PolarHBondContact O-N 3.43Å; K43-H95 CarbonylContact C-O 3.53Å; K43-H95 PolarHBondContact N-O 3.36Å; K43-H95 CarbonylContact O-C 3.53Å; K43-H95 VanDerWaalsContact O-CA 3.31Å; K43-H95 WeakPolarHBondContact O-CA 3.48Å
44G95.3Very high96.1Very high7 Ų756.4 Ų56.47%0.07231%0.307CS..  trans-59.6131.4178.700000112H58G44-H58 PolarHBondContact N-ND1 3.32Å
45N95.3Very high96.1Very high11 Ų1158 Ų586%0.05932%0.315CS..  trans-106115.4179.6-177-4.1000108.6R17 E25 K43 A47 F48 H95R17-N45 WeakPolarHBondContact CD-OD1 3.48Å; R17-N45 PolarHBondContact NH1-ND2 3.31Å; R17-N45 PolarHBondContact NH1-OD1 2.84Å; E25-N45 PolarHBondContact OE2-ND2 3Å; K43-N45 PolarHBondContact O-N 3.43Å; N45-A47 PolarHBondContact O-N 2.94Å; N45-A47 VanDerWaalsContact O-N 3.17Å; N45-A47 PolarHBondContact OD1-N 2.8Å; N45-F48 HydrophobicContact CB-CD2 4.38Å; N45-F48 WeakPolarHBondContact ND2-CD2 3.35Å; N45-F48 PolarHBondContact O-N 3.28Å; N45-H95 PolarHBondContact N-ND1 2.79Å; N45-H95 PolarHBondContact O-CE1 2.9Å
46G94.7Very high96.1Very high26 Ų2654.7 Ų54.727%0.26830%0.298SS..THydrogen-bonded Turntrans-63.5-18.3-177.700000115.9F15 F48F15-G46 WeakPolarHBondContact O-CA 3.5Å; F15-G46 PolarHBondContact O-N 3.43Å; G46-F48 VanDerWaalsContact C-N 3.3Å
47A95.1Very high96.2Very high54 Ų5449.2 Ų49.245%0.44627%0.271SS..THydrogen-bonded Turntrans-69.6-28.3177.300000112.7N45N45-A47 PolarHBondContact O-N 2.94Å; N45-A47 VanDerWaalsContact O-N 3.17Å; N45-A47 PolarHBondContact OD1-N 2.8Å
48F95.3Very high96.2Very high56 Ų5649.3 Ų49.325%0.24626%0.259CS..  trans-110.6117.6178.3-57.3-86.3000109.3E25 F30 N45 G46 E94 H95E25-F48 HydrophobicContact CB-CE2 3.87Å; E25-F48 HydrophobicContact CB-CZ 4.05Å; E25-F48 HydrophobicContact CG-CE2 4.36Å; F30-F48 HydrophobicContact CE1-CZ 4.46Å; F30-F48 HydrophobicContact CZ-CE1 4.14Å; F30-F48 HydrophobicContact CZ-CE2 4.48Å; F30-F48 AromaticContact CZ-CZ 3.73Å; F30-F48 HydrophobicContact CZ-CZ 3.73Å; N45-F48 HydrophobicContact CB-CD2 4.38Å; N45-F48 WeakPolarHBondContact ND2-CD2 3.35Å; N45-F48 PolarHBondContact O-N 3.28Å; G46-F48 VanDerWaalsContact C-N 3.3Å; F48-E94 HydrophobicContact CB-CB 4.38Å; F48-E94 HydrophobicContact CB-CG 4.5Å; F48-E94 HydrophobicContact CD1-CG 4Å; F48-E94 HydrophobicContact CD2-CB 3.59Å; F48-E94 HydrophobicContact CD2-CG 3.71Å; F48-E94 HydrophobicContact CE1-CG 4.13Å; F48-E94 HydrophobicContact CE2-CB 4.01Å; F48-E94 HydrophobicContact CE2-CG 3.85Å; F48-E94 HydrophobicContact CG-CB 3.97Å; F48-E94 HydrophobicContact CG-CG 3.79Å; F48-E94 HydrophobicContact CZ-CG 4.07Å; F48-H95 PolarHBondContact O-CE1 3.26Å; F48-H95 PolarHBondContact O-NE2 2.95Å
49T94.5Very high96.2Very high99 Ų9949.1 Ų49.161%0.60727%0.272SS*.  trans-89.8-26.9-178.351.20000112.7
50K96.5Very high96.2Very high155 Ų15551.4 Ų51.467%0.67428%0.28SS*.THydrogen-bonded Turntrans-74.1137.7-178.9-66.5-174.3178.7-179.80110.9M52 R92 H95K50-M52 PolarHBondContact O-N 3.24Å; K50-M52 VanDerWaalsContact O-N 3.16Å; K50-R92 WeakPolarHBondContact O-CD 3.48Å; K50-H95 PolarHBondContact O-NE2 3.49Å
51G95.8Very high96.2Very high39 Ų3954.7 Ų54.740%0.40230%0.301SS..THydrogen-bonded Turntrans58.424.8178.700000114.7R92 H95G51-R92 PolarHBondContact O-N 3.44Å; G51-H95 PolarHBondContact O-CD2 3.12Å
52M96.1Very high96.2Very high37 Ų3752.9 Ų52.918%0.18229%0.293CS..PPolyproline II helixtrans-67.7133.9179.4-164.6-179.4-144.900111F15 K50 H95F15-M52 HydrophobicContact CB-CE 3.76Å; F15-M52 HydrophobicContact CD1-CE 3.43Å; F15-M52 VanDerWaalsContact CD1-CE 3.43Å; F15-M52 HydrophobicContact CD1-SD 4.46Å; F15-M52 HydrophobicContact CD2-CE 3.77Å; F15-M52 HydrophobicContact CD2-SD 4.04Å; F15-M52 HydrophobicContact CE1-CE 3.88Å; F15-M52 HydrophobicContact CE1-SD 4.48Å; F15-M52 HydrophobicContact CE2-CE 4.18Å; F15-M52 HydrophobicContact CE2-SD 4.05Å; F15-M52 HydrophobicContact CG-CE 3.38Å; F15-M52 HydrophobicContact CG-SD 4.26Å; F15-M52 HydrophobicContact CZ-CE 4.24Å; F15-M52 HydrophobicContact CZ-SD 4.28Å; K50-M52 PolarHBondContact O-N 3.24Å; K50-M52 VanDerWaalsContact O-N 3.16Å; M52-H95 WeakPolarHBondContact CA-NE2 3.21Å
53P97Very high96.2Very high5 Ų560.1 Ų60.13%0.03232%0.32CS..PPolyproline II helixtrans-69.4146.9177.628.6-35000111.2F15 I42 I91 H95F15-P53 WeakPolarHBondContact CZ-O 3.04Å; I42-P53 HydrophobicContact CG2-CB 3.73Å; I42-P53 HydrophobicContact CG2-CG 3.65Å; P53-I91 HydrophobicContact CB-CD1 4.27Å; P53-H95 HydrophobicContact CG-CB 4.33Å
54Y96.7Very high96.2Very high88 Ų8854.7 Ų54.735%0.34530%0.297SS..PPolyproline II helixtrans-60.8144.5168.3179-116.4000110.5Y7 Y56 Y57Y7-Y54 HydrophobicContact CD1-CD2 4.03Å; Y7-Y54 HydrophobicContact CD1-CE2 4.37Å; Y7-Y54 WeakPolarHBondContact O-CD2 3.28Å; Y7-Y54 WeakPolarHBondContact O-CE2 3.5Å; Y54-Y56 PolarHBondContact O-N 2.91Å; Y54-Y57 PolarHBondContact O-N 3.32Å
55K96.4Very high96.3Very high55 Ų5556.8 Ų56.824%0.23930%0.304CS..G310 helixtrans-50.9-31.4-172.670.7-176.2-177.7177.30114.9R9 T11 L14 F15 Y57 H58R9-K55 WeakPolarHBondContact O-CD 3.46Å; R9-K55 PolarHBondContact O-NZ 3.45Å; T11-K55 HydrophobicContact CG2-CB 3.65Å; T11-K55 HydrophobicContact CG2-CD 3.84Å; T11-K55 HydrophobicContact CG2-CG 4.37Å; L14-K55 HydrophobicContact CD2-CB 4.29Å; F15-K55 HydrophobicContact CZ-CB 4.3Å; K55-Y57 PolarHBondContact O-N 3.01Å; K55-H58 WeakPolarHBondContact O-CB 3.4Å; K55-H58 PolarHBondContact O-N 3.04Å
56Y96.1Very high96.4Very high71 Ų7159.4 Ų59.428%0.27832%0.318SS..G310 helixtrans-60.4-34177.5178.9-90000112.9Y54 H58 K78 R79Y54-Y56 PolarHBondContact O-N 2.91Å; Y56-H58 VanDerWaalsContact C-N 3.3Å; Y56-K78 HydrophobicContact CD1-CB 4.5Å; Y56-K78 HydrophobicContact CD1-CD 3.86Å; Y56-K78 HydrophobicContact CD1-CG 4.05Å; Y56-K78 HydrophobicContact CE1-CB 3.71Å; Y56-K78 HydrophobicContact CE1-CD 3.75Å; Y56-K78 HydrophobicContact CE1-CG 3.4Å; Y56-K78 VanDerWaalsContact CE1-CG 3.4Å; Y56-K78 HydrophobicContact CE2-CG 4.5Å; Y56-K78 HydrophobicContact CG-CD 4.49Å; Y56-R79 PolarHBondContact OH-N 3.1Å
57Y97.2Very high96.5Very high23 Ų2361.4 Ų61.49%0.0933%0.325CS..G310 helixtrans-85.1-5.1-177.7-55.2-63.3000112.8I42 Y54 K55 G59 K60 V76 K78 K87 I89I42-Y57 WeakPolarHBondContact CB-O 3.26Å; I42-Y57 WeakPolarHBondContact CG2-O 3.45Å; Y54-Y57 PolarHBondContact O-N 3.32Å; K55-Y57 PolarHBondContact O-N 3.01Å; Y57-G59 PolarHBondContact O-N 3.38Å; Y57-K60 WeakPolarHBondContact O-CB 3.35Å; Y57-K60 PolarHBondContact O-N 3.32Å; Y57-K60 VanDerWaalsContact O-N 3.1Å; Y57-V76 HydrophobicContact CD1-CB 4.21Å; Y57-V76 HydrophobicContact CD1-CG1 3.85Å; Y57-V76 HydrophobicContact CE1-CB 4.4Å; Y57-V76 HydrophobicContact CE1-CG1 4.3Å; Y57-K78 HydrophobicContact CE1-CB 4.27Å; Y57-K78 HydrophobicContact CE1-CD 4.15Å; Y57-K87 HydrophobicContact CE1-CB 4.43Å; Y57-I89 HydrophobicContact CD1-CD1 3.42Å; Y57-I89 VanDerWaalsContact CD1-CD1 3.42Å; Y57-I89 HydrophobicContact CD2-CD1 3.5Å; Y57-I89 HydrophobicContact CD2-CG1 4.43Å; Y57-I89 HydrophobicContact CE1-CD1 3.41Å; Y57-I89 VanDerWaalsContact CE1-CD1 3.41Å; Y57-I89 HydrophobicContact CE1-CG1 4.41Å; Y57-I89 HydrophobicContact CE2-CD1 3.46Å; Y57-I89 VanDerWaalsContact CE2-CD1 3.46Å; Y57-I89 HydrophobicContact CE2-CG1 4.04Å; Y57-I89 HydrophobicContact CG-CD1 3.46Å; Y57-I89 VanDerWaalsContact CG-CD1 3.46Å; Y57-I89 VanDerWaalsContact CZ-CD1 3.41Å
58H96.4Very high96.6Very high46 Ų4661.9 Ų61.921%0.21332%0.323CS..THydrogen-bonded Turntrans-64.4128.6173.9-166.3105.5000110L14 F15 G44 K55 Y56 K60L14-H58 HydrophobicContact CD1-CB 4.39Å; L14-H58 HydrophobicContact CD2-CB 3.84Å; L14-H58 HydrophobicContact CG-CB 4.37Å; L14-H58 PolarHBondContact O-CE1 3.33Å; L14-H58 VanDerWaalsContact O-CE1 3.26Å; F15-H58 AromaticContact CE1-ND1 3.78Å; G44-H58 PolarHBondContact N-ND1 3.32Å; K55-H58 WeakPolarHBondContact O-CB 3.4Å; K55-H58 PolarHBondContact O-N 3.04Å; Y56-H58 VanDerWaalsContact C-N 3.3Å; H58-K60 PolarHBondContact O-N 3.43Å
59G96.1Very high96.6Very high59 Ų5965.2 Ų65.261%0.60835%0.35SS*.THydrogen-bonded Turntrans73.712.3-175.800000114.1I42 Y57I42-G59 WeakPolarHBondContact O-CA 3.2Å; I42-G59 PolarHBondContact O-N 3.02Å; Y57-G59 PolarHBondContact O-N 3.38Å
60K96.8Very high96.6Very high83 Ų8366.2 Ų66.236%0.36135%0.347SS..  trans-93146.5172.8-59.1-58.4-178.7-175.20110.6I42 Y57 H58 V76I42-K60 WeakPolarHBondContact CB-O 3.29Å; I42-K60 PolarHBondContact N-O 3.02Å; Y57-K60 WeakPolarHBondContact O-CB 3.35Å; Y57-K60 PolarHBondContact O-N 3.32Å; Y57-K60 VanDerWaalsContact O-N 3.1Å; H58-K60 PolarHBondContact O-N 3.43Å; K60-V76 HydrophobicContact CB-CG1 3.78Å; K60-V76 HydrophobicContact CG-CG1 4.36Å
61T97.8Very high96.5Very high70 Ų7059.2 Ų59.243%0.42932%0.319SS..EExtended strand (participates in β ladder)trans-102.5143.6174-49.80000109.2I39 V40 D41I39-T61 HydrophobicContact CG2-CG2 3.34Å; V40-T61 CarbonylContact O-C 3.53Å; V40-T61 VanDerWaalsContact O-CA 3.29Å; V40-T61 WeakPolarHBondContact O-CA 3.28Å; V40-T61 WeakPolarHBondContact O-CG2 3.37Å; D41-T61 WeakPolarHBondContact OD1-CB 3.17Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.44Å; D41-T61 PolarHBondContact OD1-OG1 3.4Å
62G96.6Very high96.6Very high8 Ų857.5 Ų57.58%0.08230%0.301CS..EExtended strand (participates in β ladder)trans-147.7178.8178.800000112.7I39 V40 L75I39-G62 WeakPolarHBondContact CA-O 3.41Å; V40-G62 PolarHBondContact N-O 3.45Å; V40-G62 PolarHBondContact O-N 2.7Å; G62-L75 CarbonylContact C-O 3.43Å; G62-L75 WeakPolarHBondContact CA-O 3.49Å
63R97.4Very high96.7Very high152 Ų15255.8 Ų55.857%0.57429%0.292SS*.EExtended strand (participates in β ladder)trans-108.7138.6174.5-80.4-178.6169.9176.3-2.5110.8D38 I39 F65 V74 L75D38-R63 WeakPolarHBondContact O-CA 3.44Å; I39-R63 HydrophobicContact CG1-CG 4.25Å; R63-F65 PolarHBondContact O-N 3.45Å; R63-V74 CarbonylContact O-C 3.51Å; R63-V74 WeakPolarHBondContact O-CA 3.33Å; R63-L75 PolarHBondContact N-O 3.27Å; R63-L75 PolarHBondContact O-N 3.34Å
64V97.8Very high96.7Very high4 Ų455.5 Ų55.52%0.02429%0.29CS..EExtended strand (participates in β ladder)trans-72.8125.3175.2-179.50000109.6G37 D38 V40 N66 V67 L72 G73G37-V64 PolarHBondContact N-O 2.89Å; D38-V64 HydrophobicContact CB-CG2 4.36Å; D38-V64 PolarHBondContact O-N 2.84Å; V40-V64 HydrophobicContact CG1-CG2 3.73Å; V40-V64 HydrophobicContact CG2-CG2 3.94Å; V64-N66 WeakPolarHBondContact CG1-O 3.34Å; V64-V67 HydrophobicContact CG1-CG2 3.92Å; V64-L72 HydrophobicContact CG1-CD2 4.28Å; V64-G73 CarbonylContact C-O 3.56Å; V64-G73 WeakPolarHBondContact CA-O 3.41Å
65F97.3Very high96.8Very high52 Ų5253 Ų5323%0.22828%0.283CS..EExtended strand (participates in β ladder)trans-110-24.8175.380.7-91.2000113.1R63 G73 L75 R88R63-F65 PolarHBondContact O-N 3.45Å; F65-G73 WeakPolarHBondContact CD1-O 3.38Å; F65-G73 PolarHBondContact N-O 2.87Å; F65-L75 HydrophobicContact CB-CD1 3.63Å; F65-L75 HydrophobicContact CB-CG 3.91Å; F65-L75 HydrophobicContact CD1-CD2 4.39Å; F65-L75 HydrophobicContact CD1-CG 3.83Å; F65-L75 HydrophobicContact CG-CD1 4.36Å; F65-L75 HydrophobicContact CG-CG 4.15Å; F65-R88 HydrophobicContact CD1-CG 4.46Å; F65-R88 HydrophobicContact CE1-CB 3.88Å; F65-R88 HydrophobicContact CE1-CG 4.03Å; F65-R88 HydrophobicContact CZ-CB 4.04Å; F65-R88 HydrophobicContact CZ-CG 4.23Å
66N97.5Very high96.8Very high66 Ų6650.5 Ų50.535%0.35327%0.272SS..EExtended strand (participates in β ladder)trans-142.4149.3179.9-171.124.9000110.1V64 G73V64-N66 WeakPolarHBondContact CG1-O 3.34Å; N66-G73 PolarHBondContact N-O 3.42Å; N66-G73 PolarHBondContact O-N 3.06Å
67V96.8Very high96.8Very high67 Ų6752.1 Ų52.141%0.40629%0.286SS..EExtended strand (participates in β ladder)trans-126.6128.7177.8-1780000108V64 L72V64-V67 HydrophobicContact CG1-CG2 3.92Å; V67-L72 HydrophobicContact CB-CD2 4.39Å; V67-L72 HydrophobicContact CG1-CD2 4.08Å; V67-L72 HydrophobicContact CG2-CD2 4.05Å
68T96.2Very high96.8Very high65 Ų6553.4 Ų53.440%0.39929%0.292SS..EExtended strand (participates in β ladder)trans-122.2168.8177.369.90000109.7H70 G71T68-H70 PolarHBondContact O-N 2.61Å; T68-G71 PolarHBondContact N-O 2.85Å; T68-G71 PolarHBondContact O-N 3.14Å; T68-G71 WeakPolarHBondContact OG1-CA 3.33Å; T68-G71 PolarHBondContact OG1-N 2.9Å; T68-G71 PolarHBondContact OG1-O 3.27Å; T68-G71 VanDerWaalsContact OG1-O 3.07Å
69P95.8Very high96.9Very high126 Ų12659.7 Ų59.782%0.81831%0.313SS*.THydrogen-bonded Turntrans-55.3-30.4-174.3-29.636.3000115.3
70H94.8Very high96.9Very high120 Ų12059.4 Ų59.456%0.55630%0.3SS*.THydrogen-bonded Turntrans-129.35.5-177.7-55.8-49.1000113.8T68 V93T68-H70 PolarHBondContact O-N 2.61Å; H70-V93 PolarHBondContact O-N 3.29Å
71G95Very high96.8Very high7 Ų766.1 Ų66.17%0.07232%0.323CS..EExtended strand (participates in β ladder)trans-155174-17200000114.1T68 I91T68-G71 PolarHBondContact N-O 2.85Å; T68-G71 PolarHBondContact O-N 3.14Å; T68-G71 WeakPolarHBondContact OG1-CA 3.33Å; T68-G71 PolarHBondContact OG1-N 2.9Å; T68-G71 PolarHBondContact OG1-O 3.27Å; T68-G71 VanDerWaalsContact OG1-O 3.07Å; G71-I91 CarbonylContact C-O 3.56Å; G71-I91 VanDerWaalsContact CA-O 3.3Å; G71-I91 WeakPolarHBondContact CA-O 3.47Å
72L96.9Very high96.8Very high4 Ų470 Ų702%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-132.1134.7-175.1-59.8172.9000108.8Y34 V64 V67 V74 I91 V93 V96Y34-L72 HydrophobicContact CD1-CD1 3.93Å; Y34-L72 HydrophobicContact CD2-CD1 3.63Å; Y34-L72 HydrophobicContact CD2-CD2 4.41Å; Y34-L72 HydrophobicContact CE1-CD1 4.32Å; Y34-L72 HydrophobicContact CE2-CD1 4.03Å; Y34-L72 HydrophobicContact CG-CD1 3.55Å; Y34-L72 HydrophobicContact CG-CD2 4.24Å; V64-L72 HydrophobicContact CG1-CD2 4.28Å; V67-L72 HydrophobicContact CB-CD2 4.39Å; V67-L72 HydrophobicContact CG1-CD2 4.08Å; V67-L72 HydrophobicContact CG2-CD2 4.05Å; L72-V74 HydrophobicContact CB-CG2 4.22Å; L72-I91 PolarHBondContact N-O 3.03Å; L72-I91 PolarHBondContact O-N 2.76Å; L72-V93 HydrophobicContact CD1-CG1 4.48Å; L72-V93 HydrophobicContact CG-CG1 4.39Å; L72-V96 HydrophobicContact CD1-CB 4.18Å; L72-V96 HydrophobicContact CD1-CG1 3.88Å; L72-V96 HydrophobicContact CD1-CG2 4.27Å
73G97.8Very high96.8Very high0 Ų076.4 Ų76.40%036%0.357CS..EExtended strand (participates in β ladder)trans-82.8117.3162.700000108.7V64 F65 N66 I89V64-G73 CarbonylContact C-O 3.56Å; V64-G73 WeakPolarHBondContact CA-O 3.41Å; F65-G73 WeakPolarHBondContact CD1-O 3.38Å; F65-G73 PolarHBondContact N-O 2.87Å; N66-G73 PolarHBondContact N-O 3.42Å; N66-G73 PolarHBondContact O-N 3.06Å; G73-I89 CarbonylContact C-O 3.55Å; G73-I89 WeakPolarHBondContact CA-O 3.22Å
74V98.1Very high96.8Very high0 Ų075.1 Ų75.10%036%0.36CS..EExtended strand (participates in β ladder)trans-114.7130.4179.1-171.40000110.2V40 I42 R63 L72 V76 I89 I91V40-V74 HydrophobicContact CG2-CB 4.49Å; V40-V74 HydrophobicContact CG2-CG1 3.76Å; V40-V74 HydrophobicContact CG2-CG2 3.82Å; I42-V74 HydrophobicContact CD1-CG1 4.27Å; R63-V74 CarbonylContact O-C 3.51Å; R63-V74 WeakPolarHBondContact O-CA 3.33Å; L72-V74 HydrophobicContact CB-CG2 4.22Å; V74-V76 HydrophobicContact CB-CG2 4.37Å; V74-V76 HydrophobicContact CG1-CG2 3.77Å; V74-I89 PolarHBondContact N-O 2.86Å; V74-I89 PolarHBondContact O-N 2.91Å; V74-I91 HydrophobicContact CB-CD1 4.41Å; V74-I91 HydrophobicContact CG2-CD1 4.32Å
75L97.4Very high96.7Very high36 Ų3676.9 Ų76.919%0.18837%0.37CS..EExtended strand (participates in β ladder)trans-84.1115.8168.8-72.8163.6000109.1G62 R63 F65 E86 R88G62-L75 CarbonylContact C-O 3.43Å; G62-L75 WeakPolarHBondContact CA-O 3.49Å; R63-L75 PolarHBondContact N-O 3.27Å; R63-L75 PolarHBondContact O-N 3.34Å; F65-L75 HydrophobicContact CB-CD1 3.63Å; F65-L75 HydrophobicContact CB-CG 3.91Å; F65-L75 HydrophobicContact CD1-CD2 4.39Å; F65-L75 HydrophobicContact CD1-CG 3.83Å; F65-L75 HydrophobicContact CG-CD1 4.36Å; F65-L75 HydrophobicContact CG-CG 4.15Å; L75-E86 VanDerWaalsContact CD2-CD 3.44Å; L75-E86 HydrophobicContact CD2-CG 3.6Å; L75-E86 WeakPolarHBondContact CD2-OE1 2.91Å; L75-R88 HydrophobicContact CD2-CG 3.47Å; L75-R88 VanDerWaalsContact CD2-CG 3.47Å
76V97.4Very high96.7Very high1 Ų179.7 Ų79.71%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-126.2133.8-179.8-172.90000110.1I42 Y57 K60 V74 K78 K87 I89I42-V76 HydrophobicContact CD1-CG2 3.43Å; I42-V76 VanDerWaalsContact CD1-CG2 3.43Å; Y57-V76 HydrophobicContact CD1-CB 4.21Å; Y57-V76 HydrophobicContact CD1-CG1 3.85Å; Y57-V76 HydrophobicContact CE1-CB 4.4Å; Y57-V76 HydrophobicContact CE1-CG1 4.3Å; K60-V76 HydrophobicContact CB-CG1 3.78Å; K60-V76 HydrophobicContact CG-CG1 4.36Å; V74-V76 HydrophobicContact CB-CG2 4.37Å; V74-V76 HydrophobicContact CG1-CG2 3.77Å; V76-K78 PolarHBondContact O-N 3.22Å; V76-K87 PolarHBondContact N-O 2.94Å; V76-K87 PolarHBondContact O-N 2.79Å; V76-I89 HydrophobicContact CB-CD1 3.93Å; V76-I89 HydrophobicContact CG2-CD1 3.69Å
77N96.7Very high96.7Very high106 Ų10680.2 Ų80.257%0.56738%0.382SS*.EExtended strand (participates in β ladder)trans-79.2119.2175.1-71.1-24.3000110.5I84N77-I84 HydrophobicContact CB-CG2 3.73Å
78K97.2Very high96.8Very high50 Ų5085.1 Ų85.122%0.21739%0.394CS..EExtended strand (participates in β ladder)trans-113.3123.2176.5173.3164-175-174.80110.3Y56 Y57 V76 V80 I85 K87Y56-K78 HydrophobicContact CD1-CB 4.5Å; Y56-K78 HydrophobicContact CD1-CD 3.86Å; Y56-K78 HydrophobicContact CD1-CG 4.05Å; Y56-K78 HydrophobicContact CE1-CB 3.71Å; Y56-K78 HydrophobicContact CE1-CD 3.75Å; Y56-K78 HydrophobicContact CE1-CG 3.4Å; Y56-K78 VanDerWaalsContact CE1-CG 3.4Å; Y56-K78 HydrophobicContact CE2-CG 4.5Å; Y56-K78 HydrophobicContact CG-CD 4.49Å; Y57-K78 HydrophobicContact CE1-CB 4.27Å; Y57-K78 HydrophobicContact CE1-CD 4.15Å; V76-K78 PolarHBondContact O-N 3.22Å; K78-V80 HydrophobicContact CD-CG2 4.44Å; K78-V80 HydrophobicContact CG-CG2 3.99Å; K78-V80 PolarHBondContact O-N 3.44Å; K78-I85 PolarHBondContact N-O 2.97Å; K78-I85 PolarHBondContact O-N 3.42Å; K78-K87 HydrophobicContact CB-CG 3.83Å; K78-K87 HydrophobicContact CD-CG 4.36Å
79R96.7Very high96.8Very high177 Ų17783.1 Ų83.167%0.66838%0.38SS*.EExtended strand (participates in β ladder)trans-73.2122.5168.8-172.3175.9179.2172.22.3109.7Y56 R81 R83Y56-R79 PolarHBondContact OH-N 3.1Å; R79-R81 PolarHBondContact NE-O 2.83Å; R79-R83 WeakPolarHBondContact CA-O 3.37Å
80V96.6Very high96.9Very high53 Ų5382.9 Ų82.932%0.32137%0.372SS..EExtended strand (participates in β ladder)trans-120.3101.4173.3-176.90000107.7K78 H82 R83 I85K78-V80 HydrophobicContact CD-CG2 4.44Å; K78-V80 HydrophobicContact CG-CG2 3.99Å; K78-V80 PolarHBondContact O-N 3.44Å; V80-H82 PolarHBondContact O-N 3.48Å; V80-R83 PolarHBondContact N-O 3.22Å; V80-R83 PolarHBondContact O-N 2.85Å; V80-R83 VanDerWaalsContact O-N 3.12Å; V80-I85 HydrophobicContact CB-CD1 3.89Å; V80-I85 HydrophobicContact CB-CG1 4.39Å; V80-I85 HydrophobicContact CG1-CD1 4.47Å; V80-I85 HydrophobicContact CG2-CD1 3.75Å; V80-I85 HydrophobicContact CG2-CG1 4.2Å
81R95.5Very high97Very high225 Ų22577.3 Ų77.385%0.84935%0.347SS*.THydrogen-bonded Turntrans53.1-106.1-175-59.2-179.6177.9180-1.3111.3R79R79-R81 PolarHBondContact NE-O 2.83Å
82H96.7Very high97.1Very high151 Ų15180.5 Ų80.570%0.69936%0.356SS*.THydrogen-bonded Turntrans-88-16.4-175.559.2-94.5000114.4V80V80-H82 PolarHBondContact O-N 3.48Å
83R97.2Very high97.1Very high142 Ų14281.4 Ų81.454%0.53636%0.362SS..EExtended strand (participates in β ladder)trans-121.5154.8-17464.9-180-174.9-122.48.7113.7R79 V80 I85R79-R83 WeakPolarHBondContact CA-O 3.37Å; V80-R83 PolarHBondContact N-O 3.22Å; V80-R83 PolarHBondContact O-N 2.85Å; V80-R83 VanDerWaalsContact O-N 3.12Å; R83-I85 HydrophobicContact CG-CD1 4.23Å; R83-I85 HydrophobicContact CG-CG1 3.95Å
84I97.3Very high97Very high125 Ų12582.1 Ų82.164%0.64137%0.365SS*.EExtended strand (participates in β ladder)trans-97.9122.6171.1-60175.3000107.5N77N77-I84 HydrophobicContact CB-CG2 3.73Å
85I96.9Very high96.9Very high42 Ų4282.2 Ų82.222%0.21537%0.366CS..EExtended strand (participates in β ladder)trans-113131.1-179.5-51.2-178.8000108.1K78 V80 R83 K87K78-I85 PolarHBondContact N-O 2.97Å; K78-I85 PolarHBondContact O-N 3.42Å; V80-I85 HydrophobicContact CB-CD1 3.89Å; V80-I85 HydrophobicContact CB-CG1 4.39Å; V80-I85 HydrophobicContact CG1-CD1 4.47Å; V80-I85 HydrophobicContact CG2-CD1 3.75Å; V80-I85 HydrophobicContact CG2-CG1 4.2Å; R83-I85 HydrophobicContact CG-CD1 4.23Å; R83-I85 HydrophobicContact CG-CG1 3.95Å; I85-K87 HydrophobicContact CG2-CD 4.33Å; I85-K87 PolarHBondContact O-N 2.95Å
86E96.9Very high96.9Very high110 Ų11080.6 Ų80.651%0.51436%0.357SS..EExtended strand (participates in β ladder)trans-68.6125.2169.5-171.8178.69500109.7L75L75-E86 VanDerWaalsContact CD2-CD 3.44Å; L75-E86 HydrophobicContact CD2-CG 3.6Å; L75-E86 WeakPolarHBondContact CD2-OE1 2.91Å
87K97.8Very high96.8Very high77 Ų7785.3 Ų85.334%0.33538%0.378SS..EExtended strand (participates in β ladder)trans-117.5126.7178.3-66.3-62.5-177.1-1740109.8Y57 V76 K78 I85 I89Y57-K87 HydrophobicContact CE1-CB 4.43Å; V76-K87 PolarHBondContact N-O 2.94Å; V76-K87 PolarHBondContact O-N 2.79Å; K78-K87 HydrophobicContact CB-CG 3.83Å; K78-K87 HydrophobicContact CD-CG 4.36Å; I85-K87 HydrophobicContact CG2-CD 4.33Å; I85-K87 PolarHBondContact O-N 2.95Å; K87-I89 HydrophobicContact CB-CG1 4.45Å
88R97.5Very high96.7Very high170 Ų17082.9 Ų82.964%0.64237%0.368SS*.EExtended strand (participates in β ladder)trans-87.8124170.4-67.2175.4-175.7-142.20.5108.5F65 L75F65-R88 HydrophobicContact CD1-CG 4.46Å; F65-R88 HydrophobicContact CE1-CB 3.88Å; F65-R88 HydrophobicContact CE1-CG 4.03Å; F65-R88 HydrophobicContact CZ-CB 4.04Å; F65-R88 HydrophobicContact CZ-CG 4.23Å; L75-R88 HydrophobicContact CD2-CG 3.47Å; L75-R88 VanDerWaalsContact CD2-CG 3.47Å
89I96.6Very high96.6Very high23 Ų2381.3 Ų81.312%0.11836%0.363CS..EExtended strand (participates in β ladder)trans-131.6136.1-177-47.3161000108.1Y57 G73 V74 V76 K87 I91Y57-I89 HydrophobicContact CD1-CD1 3.42Å; Y57-I89 VanDerWaalsContact CD1-CD1 3.42Å; Y57-I89 HydrophobicContact CD2-CD1 3.5Å; Y57-I89 HydrophobicContact CD2-CG1 4.43Å; Y57-I89 HydrophobicContact CE1-CD1 3.41Å; Y57-I89 VanDerWaalsContact CE1-CD1 3.41Å; Y57-I89 HydrophobicContact CE1-CG1 4.41Å; Y57-I89 HydrophobicContact CE2-CD1 3.46Å; Y57-I89 VanDerWaalsContact CE2-CD1 3.46Å; Y57-I89 HydrophobicContact CE2-CG1 4.04Å; Y57-I89 HydrophobicContact CG-CD1 3.46Å; Y57-I89 VanDerWaalsContact CG-CD1 3.46Å; Y57-I89 VanDerWaalsContact CZ-CD1 3.41Å; G73-I89 CarbonylContact C-O 3.55Å; G73-I89 WeakPolarHBondContact CA-O 3.22Å; V74-I89 PolarHBondContact N-O 2.86Å; V74-I89 PolarHBondContact O-N 2.91Å; V76-I89 HydrophobicContact CB-CD1 3.93Å; V76-I89 HydrophobicContact CG2-CD1 3.69Å; K87-I89 HydrophobicContact CB-CG1 4.45Å; I89-I91 HydrophobicContact CB-CD1 4.3Å; I89-I91 HydrophobicContact CB-CG1 4.2Å; I89-I91 HydrophobicContact CG2-CD1 4.01Å; I89-I91 HydrophobicContact CG2-CG1 3.63Å
90N97.3Very high96.5Very high122 Ų12282.5 Ų82.565%0.65237%0.368SS*.EExtended strand (participates in β ladder)trans-95.7122.2171.9-60.1-28.6000108.5
91I97Very high96.3Very high3 Ų383.8 Ų83.82%0.01538%0.378CS..EExtended strand (participates in β ladder)trans-132.9139.6-173.9-52.9177.2000107.9I42 P53 G71 L72 V74 I89 H95 V96I42-I91 HydrophobicContact CD1-CD1 3.51Å; I42-I91 HydrophobicContact CG1-CD1 3.76Å; I42-I91 HydrophobicContact CG2-CD1 4Å; P53-I91 HydrophobicContact CB-CD1 4.27Å; G71-I91 CarbonylContact C-O 3.56Å; G71-I91 VanDerWaalsContact CA-O 3.3Å; G71-I91 WeakPolarHBondContact CA-O 3.47Å; L72-I91 PolarHBondContact N-O 3.03Å; L72-I91 PolarHBondContact O-N 2.76Å; V74-I91 HydrophobicContact CB-CD1 4.41Å; V74-I91 HydrophobicContact CG2-CD1 4.32Å; I89-I91 HydrophobicContact CB-CD1 4.3Å; I89-I91 HydrophobicContact CB-CG1 4.2Å; I89-I91 HydrophobicContact CG2-CD1 4.01Å; I89-I91 HydrophobicContact CG2-CG1 3.63Å; I91-H95 HydrophobicContact CG2-CB 3.6Å; I91-V96 HydrophobicContact CB-CG2 4.17Å; I91-V96 HydrophobicContact CG2-CG2 3.72Å
92R97.2Very high96.3Very high73 Ų7378 Ų7828%0.27536%0.356SS..EExtended strand (participates in β ladder)trans-77.4159.6172.8-65176.779.4104.5-1112.6K50 G51 E94 H95K50-R92 WeakPolarHBondContact O-CD 3.48Å; G51-R92 PolarHBondContact O-N 3.44Å; R92-E94 WeakPolarHBondContact CB-OE2 3.4Å; R92-E94 IonicContact NE-OE1 3.68Å; R92-E94 PolarHBondContact NE-OE1 3.32Å; R92-E94 IonicContact NE-OE2 2.7Å; R92-E94 IonicContact NH2-OE1 3.95Å; R92-E94 PolarHBondContact O-N 2.95Å; R92-H95 PolarHBondContact O-N 3.19Å; R92-H95 VanDerWaalsContact O-N 3.15Å
93V96.5Very high96.1Very high24 Ų2476.7 Ų76.715%0.14535%0.35CS..G310 helixtrans-59.2-28.4-175.8-72.60000114.1F30 Y34 H70 L72 H95 V96F30-V93 HydrophobicContact CD1-CG2 4.38Å; Y34-V93 HydrophobicContact CD2-CG1 4.35Å; Y34-V93 HydrophobicContact CE2-CG1 4.26Å; H70-V93 PolarHBondContact O-N 3.29Å; L72-V93 HydrophobicContact CD1-CG1 4.48Å; L72-V93 HydrophobicContact CG-CG1 4.39Å; V93-H95 PolarHBondContact O-N 2.87Å; V93-V96 PolarHBondContact O-N 3.35Å
94E96.3Very high96Very high15 Ų1573.2 Ų73.27%0.0734%0.342CS..G310 helixtrans-68.2-16.8-179.7-49.490.7154.500113.1F30 F48 R92F30-E94 HydrophobicContact CD1-CG 4.29Å; F30-E94 HydrophobicContact CE1-CG 3.45Å; F30-E94 VanDerWaalsContact CE1-CG 3.45Å; F30-E94 HydrophobicContact CZ-CG 3.97Å; F48-E94 HydrophobicContact CB-CB 4.38Å; F48-E94 HydrophobicContact CB-CG 4.5Å; F48-E94 HydrophobicContact CD1-CG 4Å; F48-E94 HydrophobicContact CD2-CB 3.59Å; F48-E94 HydrophobicContact CD2-CG 3.71Å; F48-E94 HydrophobicContact CE1-CG 4.13Å; F48-E94 HydrophobicContact CE2-CB 4.01Å; F48-E94 HydrophobicContact CE2-CG 3.85Å; F48-E94 HydrophobicContact CG-CB 3.97Å; F48-E94 HydrophobicContact CG-CG 3.79Å; F48-E94 HydrophobicContact CZ-CG 4.07Å; R92-E94 WeakPolarHBondContact CB-OE2 3.4Å; R92-E94 IonicContact NE-OE1 3.68Å; R92-E94 PolarHBondContact NE-OE1 3.32Å; R92-E94 IonicContact NE-OE2 2.7Å; R92-E94 IonicContact NH2-OE1 3.95Å; R92-E94 PolarHBondContact O-N 2.95Å
95H96.8Very high95.9Very high1 Ų171.1 Ų71.11%0.00533%0.329CS..G310 helixtrans-104.94-179.4-54.9-40.1000113.3K43 N45 F48 K50 G51 M52 P53 I91 R92 V93K43-H95 CarbonylContact C-O 3.53Å; K43-H95 PolarHBondContact N-O 3.36Å; K43-H95 CarbonylContact O-C 3.53Å; K43-H95 VanDerWaalsContact O-CA 3.31Å; K43-H95 WeakPolarHBondContact O-CA 3.48Å; N45-H95 PolarHBondContact N-ND1 2.79Å; N45-H95 PolarHBondContact O-CE1 2.9Å; F48-H95 PolarHBondContact O-CE1 3.26Å; F48-H95 PolarHBondContact O-NE2 2.95Å; K50-H95 PolarHBondContact O-NE2 3.49Å; G51-H95 PolarHBondContact O-CD2 3.12Å; M52-H95 WeakPolarHBondContact CA-NE2 3.21Å; P53-H95 HydrophobicContact CG-CB 4.33Å; I91-H95 HydrophobicContact CG2-CB 3.6Å; R92-H95 PolarHBondContact O-N 3.19Å; R92-H95 VanDerWaalsContact O-N 3.15Å; V93-H95 PolarHBondContact O-N 2.87Å
96V96.4Very high95.8Very high2 Ų272.9 Ų72.91%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-120.4141.6-173.6-176.20000109.4Y34 V40 L72 I91 V93Y34-V96 HydrophobicContact CE1-CG1 3.98Å; Y34-V96 PolarHBondContact OH-O 3.12Å; V40-V96 HydrophobicContact CB-CG1 3.46Å; V40-V96 VanDerWaalsContact CB-CG1 3.46Å; V40-V96 HydrophobicContact CG1-CG1 3.76Å; V40-V96 HydrophobicContact CG2-CG1 3.83Å; L72-V96 HydrophobicContact CD1-CB 4.18Å; L72-V96 HydrophobicContact CD1-CG1 3.88Å; L72-V96 HydrophobicContact CD1-CG2 4.27Å; I91-V96 HydrophobicContact CB-CG2 4.17Å; I91-V96 HydrophobicContact CG2-CG2 3.72Å; V93-V96 PolarHBondContact O-N 3.35Å
97K95.4Very high95.8Very high100 Ų10074.7 Ų74.744%0.43534%0.34SS..EExtended strand (participates in β ladder)trans-132.2143.4172.1-62.3-171.9179.7-167.30109.5V40 D41V40-K97 CarbonylContact C-O 3.46Å; V40-K97 WeakPolarHBondContact CA-O 3.36Å; D41-K97 PolarHBondContact N-O 2.92Å; D41-K97 PolarHBondContact O-N 2.89Å
98P95.3Very high95.7Very high56 Ų5673.8 Ų73.836%0.36434%0.335SS..EExtended strand (participates in β ladder)trans-66.2139.8171.728.4-33.4000110Y34Y34-P98 HydrophobicContact CE1-CB 4.48Å
99S95.3Very high95.7Very high16 Ų1668.6 Ų68.611%0.11232%0.322CS..  trans-85.1125.3-178.2-161.20000112.1I39 D41 C101 R102I39-S99 PolarHBondContact O-N 2.9Å; D41-S99 PolarHBondContact OD1-OG 3.42Å; D41-S99 WeakPolarHBondContact OD2-CA 3.39Å; D41-S99 VanDerWaalsContact OD2-CB 3.28Å; D41-S99 WeakPolarHBondContact OD2-CB 3.49Å; D41-S99 PolarHBondContact OD2-OG 2.81Å; S99-C101 PolarHBondContact O-N 2.73Å; S99-C101 PolarHBondContact OG-SG 2.8Å; S99-R102 PolarHBondContact O-N 2.88Å
100R94.6Very high95.7Very high203 Ų20374.9 Ų74.977%0.76635%0.348SS*.Hα-helixtrans-67.8-18.2178.5-69-178.9176.7177.3-3113.5R102 E103 D104R100-R102 PolarHBondContact O-N 2.81Å; R100-E103 PolarHBondContact O-N 3.02Å; R100-D104 PolarHBondContact O-N 3.37Å
101C92.6Very high95.7Very high79 Ų7973.3 Ų73.353%0.53434%0.337SS..Hα-helixtrans-62.6-34.3178.9670000112.2S99 F105S99-C101 PolarHBondContact O-N 2.73Å; S99-C101 PolarHBondContact OG-SG 2.8Å; C101-F105 PolarHBondContact O-N 2.82Å
102R93.9Very high95.7Very high104 Ų10475 Ų7539%0.39235%0.346SS..Hα-helixtrans-75.7-36.8178.6-173.357.2174.5-178.31.7111.6I39 S99 R100 F105 L106I39-R102 HydrophobicContact CB-CB 4.47Å; I39-R102 HydrophobicContact CD1-CB 4.25Å; I39-R102 HydrophobicContact CD1-CG 4.32Å; S99-R102 PolarHBondContact O-N 2.88Å; R100-R102 PolarHBondContact O-N 2.81Å; R102-F105 PolarHBondContact O-N 3.15Å; R102-L106 HydrophobicContact CG-CD1 4.06Å; R102-L106 HydrophobicContact CG-CG 4.29Å; R102-L106 WeakPolarHBondContact O-CB 3.49Å; R102-L106 VanDerWaalsContact O-CG 3.28Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 3.4Å
103E93.9Very high95.6Very high123 Ų12377.9 Ų77.958%0.57536%0.363SS*.Hα-helixtrans-59.7-49177.9-173.9179.4-170.900111.6R100 F105 L106 R107R100-E103 PolarHBondContact O-N 3.02Å; E103-F105 VanDerWaalsContact C-N 3.34Å; E103-F105 PolarHBondContact O-N 3.21Å; E103-L106 PolarHBondContact O-N 3.27Å; E103-R107 PolarHBondContact O-N 3.16Å
104D93.8Very high95.6Very high70 Ų7083.3 Ų83.337%0.37438%0.381SS..Hα-helixtrans-60.1-43.9176.2-178.968.3000112.1R100 L106 R107 R108R100-D104 PolarHBondContact O-N 3.37Å; D104-L106 PolarHBondContact O-N 3.26Å; D104-R107 PolarHBondContact O-N 3.42Å; D104-R107 IonicContact OD1-CZ 3.15Å; D104-R107 IonicContact OD1-NE 2.85Å; D104-R107 IonicContact OD1-NH2 3.82Å; D104-R107 PolarHBondContact OD1-NH2 3.39Å; D104-R108 WeakPolarHBondContact O-CB 3.31Å; D104-R108 PolarHBondContact O-N 3.4Å
105F95.7Very high95.5Very high81 Ų8184.9 Ų84.936%0.35539%0.389SS..Hα-helixtrans-60.1-45.8176.4178-94.8000112C101 R102 E103 R108 V109C101-F105 PolarHBondContact O-N 2.82Å; R102-F105 PolarHBondContact O-N 3.15Å; E103-F105 VanDerWaalsContact C-N 3.34Å; E103-F105 PolarHBondContact O-N 3.21Å; F105-R108 PolarHBondContact O-N 2.95Å; F105-V109 HydrophobicContact CD1-CG2 4.07Å; F105-V109 HydrophobicContact CE1-CG2 3.6Å; F105-V109 HydrophobicContact CE2-CG2 4.34Å; F105-V109 HydrophobicContact CZ-CG2 3.75Å; F105-V109 WeakPolarHBondContact O-CG2 3.43Å; F105-V109 PolarHBondContact O-N 3.19Å
106L95.7Very high95.4Very high78 Ų7893.1 Ų93.141%0.40842%0.42SS..Hα-helixtrans-66.2-41.1-179.9-71.3174.1000112R102 E103 D104 R108 V109 K110R102-L106 HydrophobicContact CG-CD1 4.06Å; R102-L106 HydrophobicContact CG-CG 4.29Å; R102-L106 WeakPolarHBondContact O-CB 3.49Å; R102-L106 VanDerWaalsContact O-CG 3.28Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 3.4Å; E103-L106 PolarHBondContact O-N 3.27Å; D104-L106 PolarHBondContact O-N 3.26Å; L106-R108 VanDerWaalsContact C-N 3.3Å; L106-R108 PolarHBondContact O-N 3.26Å; L106-V109 PolarHBondContact O-N 3.04Å; L106-K110 PolarHBondContact O-N 3.41Å; L106-K110 VanDerWaalsContact O-N 3.12Å
107R96.4Very high95.4Very high149 Ų14999.6 Ų99.656%0.56245%0.448SS*.Hα-helixtrans-56.7-46.6173.3176.3173.960.2-148.7-0.3111E103 D104 V109 K110 E111E103-R107 PolarHBondContact O-N 3.16Å; D104-R107 PolarHBondContact O-N 3.42Å; D104-R107 IonicContact OD1-CZ 3.15Å; D104-R107 IonicContact OD1-NE 2.85Å; D104-R107 IonicContact OD1-NH2 3.82Å; D104-R107 PolarHBondContact OD1-NH2 3.39Å; R107-V109 PolarHBondContact O-N 3.41Å; R107-K110 PolarHBondContact O-N 2.89Å; R107-E111 PolarHBondContact O-N 3.4Å
108R96.2Very high95.4Very high57 Ų5798.3 Ų98.322%0.21544%0.444CS..Hα-helixtrans-65.5-36.9178-174.6173.864.41124.4113.3D104 F105 L106 K110 E111 N112D104-R108 WeakPolarHBondContact O-CB 3.31Å; D104-R108 PolarHBondContact O-N 3.4Å; F105-R108 PolarHBondContact O-N 2.95Å; L106-R108 VanDerWaalsContact C-N 3.3Å; L106-R108 PolarHBondContact O-N 3.26Å; R108-K110 VanDerWaalsContact C-N 3.35Å; R108-E111 PolarHBondContact O-N 3.07Å; R108-N112 VanDerWaalsContact O-CB 3.28Å; R108-N112 WeakPolarHBondContact O-CB 3.39Å; R108-N112 PolarHBondContact O-N 3.33Å
109V97Very high95.3Very high62 Ų6296.2 Ų96.238%0.37643%0.431SS..Hα-helixtrans-60.8-47.1175.5168.80000110.3F105 L106 R107 N112 E113F105-V109 HydrophobicContact CD1-CG2 4.07Å; F105-V109 HydrophobicContact CE1-CG2 3.6Å; F105-V109 HydrophobicContact CE2-CG2 4.34Å; F105-V109 HydrophobicContact CZ-CG2 3.75Å; F105-V109 WeakPolarHBondContact O-CG2 3.43Å; F105-V109 PolarHBondContact O-N 3.19Å; L106-V109 PolarHBondContact O-N 3.04Å; R107-V109 PolarHBondContact O-N 3.41Å; V109-N112 PolarHBondContact O-N 3.39Å; V109-E113 WeakPolarHBondContact O-CB 3.5Å; V109-E113 PolarHBondContact O-N 3.21Å
110K96.9Very high95.3Very high154 Ų154104.1 Ų104.167%0.6746%0.464SS*.Hα-helixtrans-61.7-44.3177.3-68.8179.3178.7-173.80112.3L106 R107 R108 E113 R114L106-K110 PolarHBondContact O-N 3.41Å; L106-K110 VanDerWaalsContact O-N 3.12Å; R107-K110 PolarHBondContact O-N 2.89Å; R108-K110 VanDerWaalsContact C-N 3.35Å; K110-E113 PolarHBondContact O-N 3.18Å; K110-R114 PolarHBondContact O-N 2.76Å
111E96.4Very high95.3Very high89 Ų89101 Ų10142%0.41646%0.458SS..Hα-helixtrans-63.3-43.9177.6-178.7172.4-158.700112.1R107 R108 E113 R114 L115R107-E111 PolarHBondContact O-N 3.4Å; R108-E111 PolarHBondContact O-N 3.07Å; E111-E113 VanDerWaalsContact C-N 3.28Å; E111-E113 PolarHBondContact O-N 3.2Å; E111-R114 PolarHBondContact O-N 3.16Å; E111-R114 IonicContact OE1-NH2 2.7Å; E111-L115 HydrophobicContact CG-CD1 4.14Å; E111-L115 WeakPolarHBondContact O-CG 3.39Å; E111-L115 PolarHBondContact O-N 3.42Å
112N96.7Very high95.5Very high39 Ų39107 Ų10721%0.20947%0.469CS..Hα-helixtrans-62.5-36.6176.7-78.9-8.1000112.4R108 V109 R116 L128R108-N112 VanDerWaalsContact O-CB 3.28Å; R108-N112 WeakPolarHBondContact O-CB 3.39Å; R108-N112 PolarHBondContact O-N 3.33Å; V109-N112 PolarHBondContact O-N 3.39Å; N112-R116 VanDerWaalsContact O-CB 3.23Å; N112-R116 WeakPolarHBondContact O-CB 3.3Å; N112-R116 PolarHBondContact O-N 3.15Å; N112-L128 HydrophobicContact CB-CD2 4.25Å
113E95.9Very high95.3Very high133 Ų133105.2 Ų105.262%0.62148%0.483SS*.Hα-helixtrans-67.7-42.7177-169.9168.5-161.700111.5V109 K110 E111 R116 K117V109-E113 WeakPolarHBondContact O-CB 3.5Å; V109-E113 PolarHBondContact O-N 3.21Å; K110-E113 PolarHBondContact O-N 3.18Å; E111-E113 VanDerWaalsContact C-N 3.28Å; E111-E113 PolarHBondContact O-N 3.2Å; E113-R116 PolarHBondContact O-N 3.31Å; E113-K117 PolarHBondContact O-N 2.96Å
114R95.8Very high95.3Very high138 Ų138103.5 Ų103.552%0.52148%0.481SS..Hα-helixtrans-58-53.6172.2-174.1-173.168.5-156.7-4.3111.5K110 E111 R116 K117 E118K110-R114 PolarHBondContact O-N 2.76Å; E111-R114 PolarHBondContact O-N 3.16Å; E111-R114 IonicContact OE1-NH2 2.7Å; R114-R116 VanDerWaalsContact C-N 3.27Å; R114-R116 PolarHBondContact O-N 3.2Å; R114-K117 WeakPolarHBondContact O-CB 3.43Å; R114-K117 PolarHBondContact O-N 3.2Å; R114-K117 VanDerWaalsContact O-N 3.09Å; R114-E118 WeakPolarHBondContact CG-OE1 3.41Å; R114-E118 IonicContact NE-OE1 3.92Å; R114-E118 WeakPolarHBondContact O-CG 3.47Å; R114-E118 PolarHBondContact O-N 3.01Å
115L95.1Very high95.1Very high49 Ų49110.2 Ų110.226%0.25751%0.507SS..Hα-helixtrans-61.5-35.9179.9-69.9173.2000112.2E111 A119 L128E111-L115 HydrophobicContact CG-CD1 4.14Å; E111-L115 WeakPolarHBondContact O-CG 3.39Å; E111-L115 PolarHBondContact O-N 3.42Å; L115-A119 WeakPolarHBondContact O-CB 3.18Å; L115-A119 PolarHBondContact O-N 3.34Å; L115-L128 HydrophobicContact CB-CD2 3.94Å; L115-L128 HydrophobicContact CD1-CD2 4.35Å
116R94.8Very high94.9Very high173 Ų173110.6 Ų110.665%0.65351%0.512SS*.Hα-helixtrans-64.1-41.3175.3-177.2-179.7-74.1-169.7-5.1111.6N112 E113 R114 K120 L128N112-R116 VanDerWaalsContact O-CB 3.23Å; N112-R116 WeakPolarHBondContact O-CB 3.3Å; N112-R116 PolarHBondContact O-N 3.15Å; E113-R116 PolarHBondContact O-N 3.31Å; R114-R116 VanDerWaalsContact C-N 3.27Å; R114-R116 PolarHBondContact O-N 3.2Å; R116-K120 WeakPolarHBondContact O-CB 3.19Å; R116-K120 PolarHBondContact O-N 3.21Å; R116-L128 HydrophobicContact CB-CD1 4.13Å
117K95.7Very high94.7Very high139 Ų139110.9 Ų110.960%0.60452%0.52SS*.Hα-helixtrans-65.9-49.3178.2-170.2-178.2176.1-171.90111E113 R114 A119 K120 E121E113-K117 PolarHBondContact O-N 2.96Å; R114-K117 WeakPolarHBondContact O-CB 3.43Å; R114-K117 PolarHBondContact O-N 3.2Å; R114-K117 VanDerWaalsContact O-N 3.09Å; K117-A119 VanDerWaalsContact C-N 3.32Å; K117-A119 PolarHBondContact O-N 3.2Å; K117-K120 WeakPolarHBondContact O-CB 3.12Å; K117-K120 PolarHBondContact O-N 2.81Å; K117-K120 VanDerWaalsContact O-N 3.12Å; K117-E121 VanDerWaalsContact CE-OE1 3.26Å; K117-E121 WeakPolarHBondContact CE-OE1 3.34Å; K117-E121 WeakPolarHBondContact O-CG 2.9Å; K117-E121 PolarHBondContact O-N 3.17Å
118E95.2Very high94.5Very high73 Ų73105.7 Ų105.734%0.34150%0.503SS..Hα-helixtrans-59.9-40.3176.7-69.2170.9-171.100112.3R114 K120 E121 R122R114-E118 WeakPolarHBondContact CG-OE1 3.41Å; R114-E118 IonicContact NE-OE1 3.92Å; R114-E118 WeakPolarHBondContact O-CG 3.47Å; R114-E118 PolarHBondContact O-N 3.01Å; E118-K120 VanDerWaalsContact C-N 3.35Å; E118-E121 PolarHBondContact O-N 3Å; E118-R122 WeakPolarHBondContact O-CG 3.44Å; E118-R122 PolarHBondContact O-N 3.08Å
119A94Very high94.5Very high11 Ų11111.6 Ų111.69%0.09153%0.53CS..Hα-helixtrans-63.9-39.3175.800000112.4L115 K117 G123 V124 I126L115-A119 WeakPolarHBondContact O-CB 3.18Å; L115-A119 PolarHBondContact O-N 3.34Å; K117-A119 VanDerWaalsContact C-N 3.32Å; K117-A119 PolarHBondContact O-N 3.2Å; A119-G123 PolarHBondContact O-N 3.04Å; A119-V124 WeakPolarHBondContact CB-O 3.45Å; A119-V124 PolarHBondContact O-N 2.7Å; A119-I126 HydrophobicContact CB-CB 4.31Å; A119-I126 HydrophobicContact CB-CD1 3.92Å; A119-I126 HydrophobicContact CB-CG1 4.08Å
120K94.9Very high94.3Very high183 Ų183117.5 Ų117.580%0.79655%0.546SS*.Hα-helixtrans-66.7-42.4176.6-172.2179.1179.6-175.70111.3R116 K117 E118 G123R116-K120 WeakPolarHBondContact O-CB 3.19Å; R116-K120 PolarHBondContact O-N 3.21Å; K117-K120 WeakPolarHBondContact O-CB 3.12Å; K117-K120 PolarHBondContact O-N 2.81Å; K117-K120 VanDerWaalsContact O-N 3.12Å; E118-K120 VanDerWaalsContact C-N 3.35Å; K120-G123 PolarHBondContact O-N 3.22Å
121E95.8Very high94.1Very high138 Ų138118.5 Ų118.565%0.64555%0.55SS**Hα-helixtrans-64.4-39.1177.2-72169.2-171.700112.1K117 E118K117-E121 VanDerWaalsContact CE-OE1 3.26Å; K117-E121 WeakPolarHBondContact CE-OE1 3.34Å; K117-E121 WeakPolarHBondContact O-CG 2.9Å; K117-E121 PolarHBondContact O-N 3.17Å; E118-E121 PolarHBondContact O-N 3Å
122R95Very high94.1Very high204 Ų204119.9 Ų119.977%0.7757%0.567SS**Hα-helixtrans-82.4-11.3177-66.1-179.2-176.2-177.92.3114.5E118 V124E118-R122 WeakPolarHBondContact O-CG 3.44Å; E118-R122 PolarHBondContact O-N 3.08Å; R122-V124 VanDerWaalsContact C-N 3.25Å; R122-V124 HydrophobicContact CB-CG2 4.08Å; R122-V124 PolarHBondContact O-N 2.85Å
123G91.6Very high94Very high67 Ų67126.6 Ų126.669%0.69160%0.597SS**THydrogen-bonded Turntrans69.515.3-173.500000115A119 K120A119-G123 PolarHBondContact O-N 3.04Å; K120-G123 PolarHBondContact O-N 3.22Å
124V92.7Very high93.9Very high86 Ų86122.6 Ų122.652%0.52159%0.592SS.*  trans-94134.3-177.9-179.90000110.3A119 R122 I126A119-V124 WeakPolarHBondContact CB-O 3.45Å; A119-V124 PolarHBondContact O-N 2.7Å; R122-V124 VanDerWaalsContact C-N 3.25Å; R122-V124 HydrophobicContact CB-CG2 4.08Å; R122-V124 PolarHBondContact O-N 2.85Å; V124-I126 HydrophobicContact CG1-CG1 4.44Å; V124-I126 PolarHBondContact O-N 2.83Å
125K90Very high93.9Very high211 Ų211122.3 Ų122.392%0.91761%0.608SS**  trans-79.6118.9172.3-74.5-179178.9173.60110.6
126I90.4Very high93.9Very high90 Ų90130.7 Ų130.746%0.46264%0.636SS.*  trans-111.5139.7175.4-69-176.2000110.9A119 V124 L128A119-I126 HydrophobicContact CB-CB 4.31Å; A119-I126 HydrophobicContact CB-CD1 3.92Å; A119-I126 HydrophobicContact CB-CG1 4.08Å; V124-I126 HydrophobicContact CG1-CG1 4.44Å; V124-I126 PolarHBondContact O-N 2.83Å; I126-L128 HydrophobicContact CG2-CD2 4.14Å; I126-L128 HydrophobicContact CG2-CG 4.5Å
127S91.4Very high93.8Very high83 Ų83126.3 Ų126.358%0.5864%0.637SS**  trans-89.5112.2169.6170.60000111.2
128L93.9Very high93.8Very high41 Ų41125 Ų12522%0.21565%0.652CS.*  trans-89.7-1.8179.1-60.3165.8000113.9N112 L115 R116 I126N112-L128 HydrophobicContact CB-CD2 4.25Å; L115-L128 HydrophobicContact CB-CD2 3.94Å; L115-L128 HydrophobicContact CD1-CD2 4.35Å; R116-L128 HydrophobicContact CB-CD1 4.13Å; I126-L128 HydrophobicContact CG2-CD2 4.14Å; I126-L128 HydrophobicContact CG2-CG 4.5Å
129K94.9Very high93.8Very high180 Ų180128.2 Ų128.278%0.78367%0.667SS**SBendtrans-79.1139.5179.3-67.6-176.8-180178.50109.8
130R94Very high93.7Very high186 Ų186133.9 Ų133.970%0.70270%0.7SS**  trans-67.4140.5170.5-63.7-176.9-64-173.92.3109.3
131K93.1Very high93.5Very high176 Ų176130.1 Ų130.177%0.76569%0.692SS**  trans-112147168.7-65.6-174.6178.9-177.70108.8
132P96Very high93.3Very high117 Ų117133.8 Ų133.876%0.7670%0.7SS**  trans-62.3163.5165.629.7-34.2000109.8G134P132-G134 PolarHBondContact O-N 2.86Å
133E94.1Very high93Very high181 Ų181128.3 Ų128.385%0.84669%0.689SS**  trans-59.2123.9172.4-167.1173.7178.400109.1
134G93.4Very high92.7Very high49 Ų49136.5 Ų136.551%0.50570%0.699SS.*  trans-79.7174.3177.700000111.8P132P132-G134 PolarHBondContact O-N 2.86Å
135P96.2Very high92.3Very high132 Ų132142.6 Ų142.686%0.85772%0.719SS**PPolyproline II helixtrans-56.3143.3168.226.2-33.4000109.8A137P135-A137 PolarHBondContact O-N 3.1Å
136R94.2Very high92.2Very high224 Ų224138 Ų13885%0.84570%0.704SS**PPolyproline II helixtrans-57.4133.8177.1-68-177.8178.1178.2-0109.2
137A94.2Very high92Very high82 Ų82141.9 Ų141.968%0.67872%0.718SS**PPolyproline II helixtrans-63.5149.217500000110.5P135 H139P135-A137 PolarHBondContact O-N 3.1Å; A137-H139 PolarHBondContact O-N 3.03Å
138A94.8Very high92Very high112 Ų112143 Ų14393%0.92672%0.723SS**PPolyproline II helixtrans-57.4128.6171.400000109.1
139H94.5Very high91.8Very high140 Ų140149.8 Ų149.865%0.64875%0.751SS**  trans-138.3151.3175.772-77.1000109.6A137 V141A137-H139 PolarHBondContact O-N 3.03Å; H139-V141 WeakPolarHBondContact NE2-CG2 3.48Å
140V93.5Very high91.6Very high129 Ų129153.3 Ų153.378%0.78276%0.759SS**PPolyproline II helixtrans-93118.8-179.5-179.40000109.3
141V90.7Very high91.5Very high105 Ų105152.1 Ų152.164%0.63677%0.765SS**PPolyproline II helixtrans-87.9117.1173.2-177.50000109.1H139H139-V141 WeakPolarHBondContact NE2-CG2 3.48Å
142R90.7Very high91.5Very high214 Ų214150.9 Ų150.981%0.80876%0.762SS**PPolyproline II helixtrans-88128.7179.6-66.1-178.9177179.2-1.5111.1
143T88.9Confident91.3Very high89 Ų89149.9 Ų149.955%0.54676%0.763SS.*  trans-92.8-3.3-177.647.30000114.7K145 N146T143-K145 VanDerWaalsContact C-N 3.3Å; T143-K145 PolarHBondContact O-N 3.42Å; T143-K145 VanDerWaalsContact O-N 3.17Å; T143-N146 CarbonylContact O-C 3.59Å; T143-N146 PolarHBondContact O-N 3.46Å
144R85.4Confident91.1Very high240 Ų240147.1 Ų147.191%0.90676%0.758SS**SBendtrans-56.8-37.3-172.8-170.4175.7179.4-178.70.7114.4
145K85.2Confident90.9Very high213 Ų213149.3 Ų149.393%0.92676%0.764SS**SBendtrans-109.9-4.8177.2-66.9-171.9178.2-175.10113.6T143T143-K145 VanDerWaalsContact C-N 3.3Å; T143-K145 PolarHBondContact O-N 3.42Å; T143-K145 VanDerWaalsContact O-N 3.17Å
146N86.1Confident90.7Very high114 Ų114152.3 Ų152.361%0.6176%0.76SS**  trans-132.687.3-176.7-167.912.3000109.2T143T143-N146 CarbonylContact O-C 3.59Å; T143-N146 PolarHBondContact O-N 3.46Å
147K86.2Confident90.3Very high173 Ų173148.2 Ų148.275%0.75275%0.75SS**PPolyproline II helixtrans-71.3132.9175.1-67.6-175.6179.6-177.80108.8K149K147-K149 PolarHBondContact O-N 3.47Å
148P91.6Very high89.7Confident106 Ų106150.8 Ų150.869%0.68875%0.748SS**PPolyproline II helixtrans-54.3130.7172.6-23.733.3000110.4
149K89.7Confident89Confident183 Ų183153.8 Ų153.880%0.79675%0.745SS**PPolyproline II helixtrans-94.1132.3175.1-67.6-174.4179.5-176.50109.1K147K147-K149 PolarHBondContact O-N 3.47Å
150W90.8Very high88.3Confident255 Ų255157 Ų15797%0.96676%0.764SS**PPolyproline II helixtrans-72.3129.5168.3-65.895.1000109
151I92.5Very high88.1Confident160 Ų160158.4 Ų158.482%0.82176%0.764SS**  trans-118.1138.1176.4-54.6174.6000106.5
152H92.2Very high87.9Confident151 Ų151161.2 Ų161.270%0.69977%0.77SS**  trans-116.7157.3175.754.7-86.2000110V154H152-V154 PolarHBondContact O-N 3.35Å
153A92.9Very high87.8Confident96 Ų96158.2 Ų158.279%0.79377%0.768SS**PPolyproline II helixtrans-64.3131.8172.300000109.5
154V89.9Confident87.7Confident122 Ų122162.3 Ų162.374%0.73978%0.781SS**PPolyproline II helixtrans-74.7135.5176.1-175.60000108.4H152H152-V154 PolarHBondContact O-N 3.35Å
155P89.6Confident87.8Confident95 Ų95157.4 Ų157.462%0.61777%0.773SS**PPolyproline II helixtrans-63.5155174.426.6-33.9000111.4E157P155-E157 PolarHBondContact O-N 3.01Å
156Y90.8Very high88Confident196 Ų196153.7 Ų153.777%0.76976%0.763SS**PPolyproline II helixtrans-65127.1174.9174.1-95.9000110.4Q158Y156-Q158 HydrophobicContact CE1-CB 4.47Å
157E86Confident88.1Confident138 Ų138156.6 Ų156.665%0.64577%0.774SS**  trans-126.5138.5169.4-77-175.9162.500109.6P155 M159P155-E157 PolarHBondContact O-N 3.01Å; E157-M159 PolarHBondContact O-N 3.08Å
158Q81.1Confident88.3Confident136 Ų136155.3 Ų155.364%0.63678%0.776SS**  trans-83.3101.1176.1-171.1168.7-30.400109.5Y156 I160Y156-Q158 HydrophobicContact CE1-CB 4.47Å; Q158-I160 VanDerWaalsContact C-N 3.35Å; Q158-I160 HydrophobicContact CG-CD1 4.25Å; Q158-I160 HydrophobicContact CG-CG1 4.18Å; Q158-I160 PolarHBondContact O-N 2.98Å
159M81.2Confident88Confident175 Ų175159.4 Ų159.486%0.86278%0.783SS**  trans-86.271.4174.9-67.9-175.9177.400111.1E157E157-M159 PolarHBondContact O-N 3.08Å
160I79.7Confident87.9Confident206 Ų206157.3 Ų157.3100%1.05678%0.782SS**  trans-118.70166.1-60.5-179.9000108.3Q158Q158-I160 VanDerWaalsContact C-N 3.35Å; Q158-I160 HydrophobicContact CG-CD1 4.25Å; Q158-I160 HydrophobicContact CG-CG1 4.18Å; Q158-I160 PolarHBondContact O-N 2.98Å

Retrieved 160 of 160 residues in 104.7 ms (Link to these results)