A0A077ZGU4_TRITR Loading...

Bactericidal permeability increasing protein

AlphaFold DB , UniProt , Accession A0A077ZGU4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 420 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
1M34.3Very low58.2Low251 Ų251141.3 Ų141.3100%1.23668%0.675SS**  081.20-121.6168.6161.800107.7
2R36.9Very low60.4Low244 Ų244134.8 Ų134.892%0.92165%0.652SS**  trans-107.5106177.2-87.5-176.3176.3168.2-1.2107.6
3L41.8Very low62.4Low143 Ų143129 Ų12975%0.74963%0.625SS**  trans33.2100.3150.8-63.1157000115.6D5L3-D5 PolarHBondContact O-N 3.46Å
4L49.8Very low64.2Low141 Ų141125.2 Ų125.274%0.73861%0.61SS**  trans-64.779.6149.8-75.1163.4000106.6D6 F9L4-D6 PolarHBondContact O-N 3.16Å; L4-F9 HydrophobicContact CD2-CZ 4.46Å
5D49Very low65.7Low122 Ų122126.4 Ų126.465%0.65262%0.62SS**  trans-54.5110.4170.9-82.4-22.6000108.5L3 R7L3-D5 PolarHBondContact O-N 3.46Å; D5-R7 VanDerWaalsContact O-CG 3.24Å; D5-R7 WeakPolarHBondContact O-CG 3.44Å; D5-R7 PolarHBondContact O-N 3.36Å
6D56.8Low66.9Low165 Ų165123 Ų12388%0.88261%0.609SS**SBendtrans2644.2166.5-68.4-17.9000117L4 V8L4-D6 PolarHBondContact O-N 3.16Å; D6-V8 PolarHBondContact O-N 2.79Å; D6-V8 VanDerWaalsContact O-N 3.13Å
7R63.3Low68.1Low139 Ų139118.3 Ų118.353%0.52559%0.594SS.*  trans-79.9103.7174.8-66.2-159-174.2-164.31.4107.9D5 F9D5-R7 VanDerWaalsContact O-CG 3.24Å; D5-R7 WeakPolarHBondContact O-CG 3.44Å; D5-R7 PolarHBondContact O-N 3.36Å; R7-F9 HydrophobicContact CB-CD2 4.43Å; R7-F9 HydrophobicContact CB-CE2 3.84Å; R7-F9 HydrophobicContact CB-CZ 4.05Å; R7-F9 WeakPolarHBondContact O-CD2 3.27Å; R7-F9 WeakPolarHBondContact O-CE2 3.41Å; R7-F9 PolarHBondContact O-N 3.08Å
8V71.8Confident69.2Low75 Ų75115.3 Ų115.346%0.45558%0.579SS.*  trans-69.3110.9166.9-178.30000108D6 Y10 T50 K51D6-V8 PolarHBondContact O-N 2.79Å; D6-V8 VanDerWaalsContact O-N 3.13Å; V8-Y10 HydrophobicContact CG1-CE1 4.34Å; V8-Y10 HydrophobicContact CG1-CE2 4.32Å; V8-T50 WeakPolarHBondContact O-CA 3.48Å; V8-K51 HydrophobicContact CB-CB 4.3Å; V8-K51 PolarHBondContact O-N 3.19Å; V8-K51 VanDerWaalsContact O-N 3.17Å
9F74.6Confident70.3Confident94 Ų94113.2 Ų113.241%0.41257%0.57SS.*EExtended strand (participates in β ladder)trans-88.9126.6169.1-63.2-86.4000109.1L4 R7 V48 Q49 T50L4-F9 HydrophobicContact CD2-CZ 4.46Å; R7-F9 HydrophobicContact CB-CD2 4.43Å; R7-F9 HydrophobicContact CB-CE2 3.84Å; R7-F9 HydrophobicContact CB-CZ 4.05Å; R7-F9 WeakPolarHBondContact O-CD2 3.27Å; R7-F9 WeakPolarHBondContact O-CE2 3.41Å; R7-F9 PolarHBondContact O-N 3.08Å; F9-V48 HydrophobicContact CB-CG1 4.21Å; F9-V48 HydrophobicContact CD1-CG1 3.57Å; F9-V48 HydrophobicContact CE1-CG1 4.4Å; F9-V48 HydrophobicContact CG-CG1 4.28Å; F9-Q49 CarbonylContact C-O 3.5Å; F9-Q49 VanDerWaalsContact CA-O 3.26Å; F9-Q49 WeakPolarHBondContact CA-O 3.42Å; F9-T50 HydrophobicContact CD1-CG2 3.45Å; F9-T50 VanDerWaalsContact CD1-CG2 3.45Å; F9-T50 HydrophobicContact CE1-CG2 3.45Å; F9-T50 VanDerWaalsContact CE1-CG2 3.45Å; F9-T50 HydrophobicContact CG-CG2 4.36Å; F9-T50 HydrophobicContact CZ-CG2 4.36Å
10Y79.1Confident71.3Confident109 Ų109110.3 Ų110.343%0.42756%0.558SS.*EExtended strand (participates in β ladder)trans-92.4116.2165.4-61.1-79.5000107.7V8 V48 Q49 K51V8-Y10 HydrophobicContact CG1-CE1 4.34Å; V8-Y10 HydrophobicContact CG1-CE2 4.32Å; Y10-V48 WeakPolarHBondContact O-CA 3.31Å; Y10-Q49 PolarHBondContact N-O 2.99Å; Y10-Q49 PolarHBondContact O-N 3.27Å; Y10-K51 HydrophobicContact CE2-CB 3.62Å; Y10-K51 HydrophobicContact CE2-CD 4.42Å; Y10-K51 HydrophobicContact CE2-CG 3.87Å; Y10-K51 WeakPolarHBondContact OH-CD 3.46Å
11V83Confident72.3Confident71 Ų71110.5 Ų110.543%0.4355%0.553SS.*EExtended strand (participates in β ladder)trans-103.7126.2177178.40000107.8L13 S47 V48 L68V11-L13 HydrophobicContact CG1-CD2 3.66Å; V11-L13 HydrophobicContact CG1-CG 4.1Å; V11-S47 CarbonylContact C-O 3.54Å; V11-S47 WeakPolarHBondContact CA-O 3.16Å; V11-V48 HydrophobicContact CG2-CG2 4.36Å; V11-L68 HydrophobicContact CB-CD2 4.41Å; V11-L68 HydrophobicContact CG1-CD2 3.41Å; V11-L68 VanDerWaalsContact CG1-CD2 3.41Å; V11-L68 HydrophobicContact CG2-CD2 4.08Å
12T84.5Confident75.1Confident64 Ų64101.5 Ų101.539%0.39351%0.512SS..EExtended strand (participates in β ladder)trans-111.7131.8169.1-46.70000108V46 S47T12-V46 WeakPolarHBondContact O-CA 3.42Å; T12-S47 PolarHBondContact N-O 3.39Å; T12-S47 PolarHBondContact O-N 3.14Å
13L85.8Confident77.8Confident59 Ų5995.1 Ų95.131%0.30949%0.491SS..EExtended strand (participates in β ladder)trans-119.8119.1178.3-55.7-179.1000107.8V11 V16 L43 V46 L68 L72V11-L13 HydrophobicContact CG1-CD2 3.66Å; V11-L13 HydrophobicContact CG1-CG 4.1Å; L13-V16 HydrophobicContact CB-CG2 3.77Å; L13-L43 HydrophobicContact CB-CD1 4.03Å; L13-L43 HydrophobicContact CD1-CD1 4.38Å; L13-L43 HydrophobicContact CD2-CD1 4.18Å; L13-L43 HydrophobicContact CD2-CD2 4.44Å; L13-L43 HydrophobicContact CG-CD1 4.41Å; L13-V46 HydrophobicContact CD2-CB 4.37Å; L13-V46 HydrophobicContact CD2-CG1 3.9Å; L13-V46 HydrophobicContact CD2-CG2 3.97Å; L13-L68 HydrophobicContact CD2-CD2 4.42Å; L13-L72 HydrophobicContact CD1-CD1 3.89Å; L13-L72 HydrophobicContact CD2-CD1 3.95Å
14D88Confident80.3Confident76 Ų7690.2 Ų90.241%0.40647%0.465SS..  trans-101.1152.7177.6-63.7-31.1000110.8V16 G44 D45D14-V16 VanDerWaalsContact C-N 3.34Å; D14-V16 PolarHBondContact O-N 3.03Å; D14-G44 WeakPolarHBondContact O-CA 3.42Å; D14-G44 PolarHBondContact O-N 2.93Å; D14-D45 HydrophobicContact CB-CB 4.43Å; D14-D45 PolarHBondContact N-O 3.36Å
15D87Confident82.5Confident143 Ų14384.6 Ų84.677%0.76544%0.436SS*.SBendtrans46.648.6175.4-61.4-35.3000115A17D15-A17 PolarHBondContact O-N 3.38Å
16V84.9Confident84.7Confident72 Ų7282 Ų8244%0.43642%0.419SS..  trans-74.8116.4176.7-172.40000110L13 D14 F41 Y42 L43L13-V16 HydrophobicContact CB-CG2 3.77Å; D14-V16 VanDerWaalsContact C-N 3.34Å; D14-V16 PolarHBondContact O-N 3.03Å; V16-F41 HydrophobicContact CG1-CE2 3.7Å; V16-F41 HydrophobicContact CG1-CZ 3.65Å; V16-Y42 WeakPolarHBondContact CA-O 3.47Å; V16-L43 HydrophobicContact CG2-CD1 3.71Å
17A87.6Confident86.5Confident43 Ų4376.9 Ų76.936%0.35539%0.392SS..EExtended strand (participates in β ladder)trans-130.1139.8173.400000111.4D15 Y42D15-A17 PolarHBondContact O-N 3.38Å; A17-Y42 PolarHBondContact N-O 3.16Å; A17-Y42 PolarHBondContact O-N 3.27Å
18I87.1Confident87.9Confident64 Ų6477 Ų7733%0.32841%0.41SS..EExtended strand (participates in β ladder)trans-126.6120.6177.3-41.1-170000108.5V20 N40 F41 M76 I80I18-V20 HydrophobicContact CG2-CG2 3.94Å; I18-N40 WeakPolarHBondContact CA-O 3.42Å; I18-F41 HydrophobicContact CB-CD2 4.42Å; I18-F41 HydrophobicContact CD1-CD2 3.66Å; I18-F41 HydrophobicContact CD1-CE2 3.64Å; I18-F41 HydrophobicContact CG1-CD2 3.52Å; I18-F41 HydrophobicContact CG1-CE2 3.7Å; I18-F41 HydrophobicContact CG2-CD2 4.4Å; I18-M76 HydrophobicContact CD1-SD 4.24Å; I18-I80 HydrophobicContact CD1-CD1 4.24Å; I18-I80 HydrophobicContact CG2-CD1 3.92Å
19N90.1Very high88.8Confident75 Ų7576.6 Ų76.640%0.40141%0.411SS..EExtended strand (participates in β ladder)trans-106115.8172.8-68-53.4000108.7Y21 C39 N40 Y42N19-Y21 HydrophobicContact CB-CE2 4.48Å; N19-C39 CarbonylContact O-C 3.57Å; N19-C39 WeakPolarHBondContact O-CA 3.42Å; N19-N40 HydrophobicContact CB-CB 4.29Å; N19-N40 PolarHBondContact N-O 3.45Å; N19-N40 PolarHBondContact O-N 3.18Å; N19-Y42 VanDerWaalsContact ND2-CE2 3.34Å; N19-Y42 WeakPolarHBondContact ND2-CE2 3.44Å
20V90.2Very high89.7Confident55 Ų5572.3 Ų72.333%0.33339%0.393SS..EExtended strand (participates in β ladder)trans-110.5123.1179-1760000108.6I18 V22 I36 I80I18-V20 HydrophobicContact CG2-CG2 3.94Å; V20-V22 HydrophobicContact CG1-CG2 4.13Å; V20-I36 HydrophobicContact CG1-CD1 4.23Å; V20-I36 HydrophobicContact CG1-CG1 4.18Å; V20-I36 HydrophobicContact CG1-CG2 3.66Å; V20-I80 HydrophobicContact CG1-CG2 4.34Å; V20-I80 HydrophobicContact CG2-CG2 4.06Å
21Y92.7Very high90.4Very high115 Ų11570.2 Ų70.245%0.45139%0.387SS..EExtended strand (participates in β ladder)trans-95.5117.6177.1-56.1-84.5000108.7N19 I36 S37 G38 N40N19-Y21 HydrophobicContact CB-CE2 4.48Å; Y21-I36 CarbonylContact O-C 3.59Å; Y21-I36 WeakPolarHBondContact O-CA 3.39Å; Y21-S37 PolarHBondContact O-N 2.95Å; Y21-S37 PolarHBondContact O-OG 3.11Å; Y21-G38 PolarHBondContact N-O 3.43Å; Y21-G38 PolarHBondContact O-N 2.83Å; Y21-N40 PolarHBondContact OH-ND2 3.42Å
22V92.6Very high90.9Very high62 Ų6269.3 Ų69.338%0.37638%0.379SS..EExtended strand (participates in β ladder)trans-110.5123.4-179.5-1790000109.1V20 L24 A34 E35 M88V20-V22 HydrophobicContact CG1-CG2 4.13Å; V22-L24 HydrophobicContact CG1-CD2 3.89Å; V22-L24 HydrophobicContact CG1-CG 4.42Å; V22-A34 HydrophobicContact CG1-CB 4.11Å; V22-E35 CarbonylContact C-O 3.57Å; V22-E35 WeakPolarHBondContact CA-O 3.4Å; V22-M88 HydrophobicContact CB-CE 4.37Å; V22-M88 HydrophobicContact CG1-CE 3.54Å; V22-M88 HydrophobicContact CG1-SD 4.25Å; V22-M88 HydrophobicContact CG2-CE 3.97Å; V22-M88 HydrophobicContact CG2-SD 4.12Å
23K93.7Very high91.4Very high111 Ų11168.9 Ų68.948%0.48337%0.373SS..EExtended strand (participates in β ladder)trans-93.4125.2168.1-170.9-178.7179.8-1770109T25 A34 E35K23-T25 HydrophobicContact CD-CG2 4.18Å; K23-T25 HydrophobicContact CG-CG2 4.05Å; K23-A34 WeakPolarHBondContact O-CA 3.22Å; K23-E35 PolarHBondContact N-O 3.39Å; K23-E35 PolarHBondContact O-N 2.93Å
24L95Very high91.8Very high39 Ų3966.1 Ų66.120%0.20436%0.358CS..EExtended strand (participates in β ladder)trans-101.8129.2172.6-59.8178.2000109.2V22 M32 H33 A34 P153 L161 F163V22-L24 HydrophobicContact CG1-CD2 3.89Å; V22-L24 HydrophobicContact CG1-CG 4.42Å; L24-M32 HydrophobicContact CD1-SD 4.18Å; L24-M32 HydrophobicContact CD2-SD 4.24Å; L24-H33 CarbonylContact C-O 3.46Å; L24-H33 WeakPolarHBondContact CA-O 3.41Å; L24-A34 HydrophobicContact CD2-CB 3.69Å; L24-P153 HydrophobicContact CB-CB 4.26Å; L24-P153 HydrophobicContact CB-CG 3.91Å; L24-P153 HydrophobicContact CD1-CB 4.48Å; L24-L161 HydrophobicContact CD1-CD2 3.87Å; L24-F163 HydrophobicContact CD1-CE1 4.43Å
25T95.7Very high92.1Very high23 Ų2367.2 Ų67.214%0.14136%0.361CS..EExtended strand (participates in β ladder)trans-130.6158.4-179.958.60000111.1K23 H33 D152K23-T25 HydrophobicContact CD-CG2 4.18Å; K23-T25 HydrophobicContact CG-CG2 4.05Å; T25-H33 PolarHBondContact N-O 3.25Å; T25-H33 PolarHBondContact O-N 3.09Å; T25-D152 WeakPolarHBondContact CA-OD1 3.45Å
26K95.1Very high92.4Very high68 Ų6861.1 Ų61.130%0.29633%0.328SS..EExtended strand (participates in β ladder)trans-92.7125.7172.4165.8-174.8159.6164.10109.3L149 L150 D152K26-L149 HydrophobicContact CB-CB 4.18Å; K26-L149 HydrophobicContact CB-CD1 4.27Å; K26-L149 HydrophobicContact CD-CB 4.03Å; K26-L149 VanDerWaalsContact CD-O 3.23Å; K26-L149 WeakPolarHBondContact CD-O 3.26Å; K26-L149 WeakPolarHBondContact CE-O 3.31Å; K26-L149 HydrophobicContact CG-CB 4.01Å; K26-L149 PolarHBondContact NZ-O 3.44Å; K26-L150 VanDerWaalsContact NZ-C 3.33Å; K26-L150 PolarHBondContact NZ-O 2.8Å; K26-D152 WeakPolarHBondContact CB-OD1 3.18Å; K26-D152 PolarHBondContact N-OD1 2.99Å
27L94.7Very high92.7Very high58 Ų5861.4 Ų61.430%0.30433%0.333SS..  trans-75161.2168.5-65.2176.5000111.3S29 G30 Q31 H33L27-S29 PolarHBondContact O-N 3.23Å; L27-S29 VanDerWaalsContact O-N 3.1Å; L27-G30 WeakPolarHBondContact O-CA 3.24Å; L27-G30 PolarHBondContact O-N 2.96Å; L27-Q31 HydrophobicContact CD1-CB 4.33Å; L27-Q31 PolarHBondContact N-O 3Å; L27-H33 HydrophobicContact CD1-CB 4.15Å; L27-H33 HydrophobicContact CD2-CB 3.87Å; L27-H33 HydrophobicContact CG-CB 3.78Å
28P92.8Very high92.9Very high140 Ų14060.2 Ų60.291%0.90933%0.325SS*.THydrogen-bonded Turntrans-54.9-28.5172.1-27.335.6000113.9G30P28-G30 PolarHBondContact O-N 3.23Å
29S91Very high93.2Very high67 Ų6758 Ų5847%0.46932%0.315SS..THydrogen-bonded Turntrans-69.8-10.2173.362.50000114.1L27 Q31L27-S29 PolarHBondContact O-N 3.23Å; L27-S29 VanDerWaalsContact O-N 3.1Å; S29-Q31 VanDerWaalsContact C-N 3.28Å; S29-Q31 PolarHBondContact OG-N 3.35Å; S29-Q31 PolarHBondContact OG-OE1 2.7Å
30G92.9Very high93.2Very high4 Ų457.3 Ų57.34%0.04131%0.312CS..SBendtrans80.33.9-172.500000114.4L27 P28 T97 L149L27-G30 WeakPolarHBondContact O-CA 3.24Å; L27-G30 PolarHBondContact O-N 2.96Å; P28-G30 PolarHBondContact O-N 3.23Å; G30-T97 WeakPolarHBondContact O-CG2 3.49Å; G30-L149 PolarHBondContact O-N 2.81Å
31Q94.2Very high93.1Very high65 Ų6555.6 Ų55.630%0.30430%0.3SS..  trans-76154.8173.4-77.4176.2-36.600111.4L27 S29 T97L27-Q31 HydrophobicContact CD1-CB 4.33Å; L27-Q31 PolarHBondContact N-O 3Å; S29-Q31 VanDerWaalsContact C-N 3.28Å; S29-Q31 PolarHBondContact OG-N 3.35Å; S29-Q31 PolarHBondContact OG-OE1 2.7Å; Q31-T97 HydrophobicContact CB-CG2 4.26Å; Q31-T97 HydrophobicContact CG-CG2 3.52Å
32M94.4Very high92.8Very high52 Ų5255.9 Ų55.926%0.25630%0.301SS..EExtended strand (participates in β ladder)trans-78.6136.4172.2-165.4-179.1-55.300110.4L24 L92 L149 F163L24-M32 HydrophobicContact CD1-SD 4.18Å; L24-M32 HydrophobicContact CD2-SD 4.24Å; M32-L92 HydrophobicContact CB-CD1 4.28Å; M32-L92 HydrophobicContact CB-CD2 4.48Å; M32-L92 HydrophobicContact CG-CD1 3.98Å; M32-L92 HydrophobicContact CG-CD2 4.41Å; M32-L92 HydrophobicContact SD-CD1 4.16Å; M32-L92 HydrophobicContact SD-CD2 3.75Å; M32-L149 HydrophobicContact CB-CD1 3.91Å; M32-L149 HydrophobicContact CE-CD1 4.42Å; M32-L149 HydrophobicContact CG-CD1 4.22Å; M32-F163 HydrophobicContact CE-CD1 3.6Å; M32-F163 HydrophobicContact CE-CE1 3.2Å; M32-F163 HydrophobicContact CE-CZ 4.14Å; M32-F163 HydrophobicContact SD-CE1 4.03Å
33H94.8Very high92.4Very high56 Ų5653.6 Ų53.626%0.25929%0.287SS..EExtended strand (participates in β ladder)trans-121.7140.9171.4-178.472.4000109L24 T25 L27 N89L24-H33 CarbonylContact C-O 3.46Å; L24-H33 WeakPolarHBondContact CA-O 3.41Å; T25-H33 PolarHBondContact N-O 3.25Å; T25-H33 PolarHBondContact O-N 3.09Å; L27-H33 HydrophobicContact CD1-CB 4.15Å; L27-H33 HydrophobicContact CD2-CB 3.87Å; L27-H33 HydrophobicContact CG-CB 3.78Å; H33-N89 WeakPolarHBondContact CA-OD1 3.27Å; H33-N89 PolarHBondContact CE1-ND2 3.38Å; H33-N89 PolarHBondContact ND1-ND2 2.86Å; H33-N89 PolarHBondContact ND1-OD1 3.49Å
34A93.9Very high92.1Very high0 Ų049.2 Ų49.20%027%0.272CS..EExtended strand (participates in β ladder)trans-116.9132.3175.300000109.9V22 K23 L24 M88 N89 L92V22-A34 HydrophobicContact CG1-CB 4.11Å; K23-A34 WeakPolarHBondContact O-CA 3.22Å; L24-A34 HydrophobicContact CD2-CB 3.69Å; A34-M88 HydrophobicContact CB-CB 3.91Å; A34-M88 HydrophobicContact CB-CE 3.76Å; A34-M88 HydrophobicContact CB-SD 4.25Å; A34-N89 PolarHBondContact N-OD1 3.31Å; A34-N89 PolarHBondContact O-ND2 3.21Å; A34-N89 PolarHBondContact O-OD1 3.22Å; A34-L92 HydrophobicContact CB-CD1 3.65Å
35E93.8Very high91.7Very high99 Ų9952.8 Ų52.846%0.46329%0.292SS..EExtended strand (participates in β ladder)trans-125.4134175.1-177.5-178.5-171.300108.4V22 K23 S37V22-E35 CarbonylContact C-O 3.57Å; V22-E35 WeakPolarHBondContact CA-O 3.4Å; K23-E35 PolarHBondContact N-O 3.39Å; K23-E35 PolarHBondContact O-N 2.93Å; E35-S37 PolarHBondContact O-N 2.81Å
36I92.9Very high91.1Very high15 Ų1552.5 Ų52.58%0.07729%0.29CS..EExtended strand (participates in β ladder)trans-83.3103.3172-62.2174.4000106.7V20 Y21 G38 I80 I81 M88V20-I36 HydrophobicContact CG1-CD1 4.23Å; V20-I36 HydrophobicContact CG1-CG1 4.18Å; V20-I36 HydrophobicContact CG1-CG2 3.66Å; Y21-I36 CarbonylContact O-C 3.59Å; Y21-I36 WeakPolarHBondContact O-CA 3.39Å; I36-G38 VanDerWaalsContact C-N 3.34Å; I36-G38 WeakPolarHBondContact CG2-O 3.39Å; I36-I80 HydrophobicContact CD1-CG2 4.01Å; I36-I80 VanDerWaalsContact CD1-O 3.25Å; I36-I80 WeakPolarHBondContact CD1-O 3.27Å; I36-I81 HydrophobicContact CB-CG1 4.42Å; I36-I81 HydrophobicContact CG2-CG1 3.79Å; I36-M88 HydrophobicContact CG1-SD 4.31Å
37S92.5Very high90.5Very high78 Ų7851.1 Ų51.155%0.54529%0.289SS..EExtended strand (participates in β ladder)trans-83.4-13.2-177.160.80000113.1Y21 E35Y21-S37 PolarHBondContact O-N 2.95Å; Y21-S37 PolarHBondContact O-OG 3.11Å; E35-S37 PolarHBondContact O-N 2.81Å
38G91.8Very high89.8Confident19 Ų1949.2 Ų49.220%0.19628%0.28CS..EExtended strand (participates in β ladder)trans-170.4159.3177.200000112.2Y21 I36Y21-G38 PolarHBondContact N-O 3.43Å; Y21-G38 PolarHBondContact O-N 2.83Å; I36-G38 VanDerWaalsContact C-N 3.34Å; I36-G38 WeakPolarHBondContact CG2-O 3.39Å
39C91.5Very high89.1Confident17 Ų1747.9 Ų47.912%0.11526%0.261CS..EExtended strand (participates in β ladder)trans-147129.1174.6171.30000108.5N19 C77 I81N19-C39 CarbonylContact O-C 3.57Å; N19-C39 WeakPolarHBondContact O-CA 3.42Å; C39-C77 HydrophobicContact CB-CB 3.62Å; C39-C77 WeakPolarHBondContact CB-SG 3.49Å; C39-C77 PolarHBondContact O-SG 2.81Å; C39-C77 WeakPolarHBondContact SG-CA 3.22Å; C39-C77 WeakPolarHBondContact SG-CB 3.34Å; C39-C77 CovalentContact SG-SG 2.06Å; C39-C77 PolarHBondContact SG-SG 2.83Å; C39-I81 HydrophobicContact CB-CD1 4.34Å; C39-I81 HydrophobicContact CB-CG1 4.37Å
40N90.5Very high88.3Confident61 Ų6147.2 Ų47.233%0.32625%0.254SS..EExtended strand (participates in β ladder)trans-118.3118.6170.8-63.1-17.8000108.3I18 N19 Y21 Y42I18-N40 WeakPolarHBondContact CA-O 3.42Å; N19-N40 HydrophobicContact CB-CB 4.29Å; N19-N40 PolarHBondContact N-O 3.45Å; N19-N40 PolarHBondContact O-N 3.18Å; Y21-N40 PolarHBondContact OH-ND2 3.42Å; N40-Y42 HydrophobicContact CB-CD2 4.46Å; N40-Y42 HydrophobicContact CB-CE2 3.63Å
41F88.4Confident87.2Confident18 Ų1853.7 Ų53.78%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-102127.3173.2-173.4-95.8000108.9V16 I18 L43 L72 E73 M76V16-F41 HydrophobicContact CG1-CE2 3.7Å; V16-F41 HydrophobicContact CG1-CZ 3.65Å; I18-F41 HydrophobicContact CB-CD2 4.42Å; I18-F41 HydrophobicContact CD1-CD2 3.66Å; I18-F41 HydrophobicContact CD1-CE2 3.64Å; I18-F41 HydrophobicContact CG1-CD2 3.52Å; I18-F41 HydrophobicContact CG1-CE2 3.7Å; I18-F41 HydrophobicContact CG2-CD2 4.4Å; F41-L43 HydrophobicContact CD1-CB 4.29Å; F41-L43 HydrophobicContact CE1-CB 3.78Å; F41-L43 HydrophobicContact CE1-CD1 4.15Å; F41-L43 HydrophobicContact CE1-CD2 4.23Å; F41-L43 HydrophobicContact CE1-CG 4.28Å; F41-L43 HydrophobicContact CZ-CD1 4.34Å; F41-L72 HydrophobicContact CE1-CB 3.97Å; F41-L72 HydrophobicContact CZ-CB 4.41Å; F41-E73 HydrophobicContact CD1-CB 4.25Å; F41-E73 HydrophobicContact CD1-CG 3.71Å; F41-E73 HydrophobicContact CE1-CG 4.39Å; F41-M76 HydrophobicContact CD2-CB 4.13Å; F41-M76 HydrophobicContact CD2-CG 4.41Å; F41-M76 HydrophobicContact CD2-SD 3.81Å; F41-M76 HydrophobicContact CE2-CB 4.43Å; F41-M76 HydrophobicContact CE2-CE 3.82Å; F41-M76 HydrophobicContact CE2-CG 4.23Å; F41-M76 HydrophobicContact CE2-SD 3.2Å; F41-M76 WeakPolarHBondContact CE2-SD 3.42Å; F41-M76 HydrophobicContact CZ-CE 3.65Å; F41-M76 HydrophobicContact CZ-SD 3.66Å
42Y86.4Confident85.5Confident122 Ų12258.5 Ų58.548%0.47830%0.304SS..EExtended strand (participates in β ladder)trans-113.6128.6175.5-62.6-87.7000108.2V16 A17 N19 N40V16-Y42 WeakPolarHBondContact CA-O 3.47Å; A17-Y42 PolarHBondContact N-O 3.16Å; A17-Y42 PolarHBondContact O-N 3.27Å; N19-Y42 VanDerWaalsContact ND2-CE2 3.34Å; N19-Y42 WeakPolarHBondContact ND2-CE2 3.44Å; N40-Y42 HydrophobicContact CB-CD2 4.46Å; N40-Y42 HydrophobicContact CB-CE2 3.63Å
43L85.1Confident83.4Confident14 Ų1459 Ų597%0.07331%0.312CS..  trans-126.1118.7176.9-168.658.1000108.5L13 V16 F41 V46 R69 L72L13-L43 HydrophobicContact CB-CD1 4.03Å; L13-L43 HydrophobicContact CD1-CD1 4.38Å; L13-L43 HydrophobicContact CD2-CD1 4.18Å; L13-L43 HydrophobicContact CD2-CD2 4.44Å; L13-L43 HydrophobicContact CG-CD1 4.41Å; V16-L43 HydrophobicContact CG2-CD1 3.71Å; F41-L43 HydrophobicContact CD1-CB 4.29Å; F41-L43 HydrophobicContact CE1-CB 3.78Å; F41-L43 HydrophobicContact CE1-CD1 4.15Å; F41-L43 HydrophobicContact CE1-CD2 4.23Å; F41-L43 HydrophobicContact CE1-CG 4.28Å; F41-L43 HydrophobicContact CZ-CD1 4.34Å; L43-V46 HydrophobicContact CD1-CG2 4.42Å; L43-V46 HydrophobicContact CD2-CG2 3.35Å; L43-V46 HydrophobicContact CG-CG2 3.7Å; L43-R69 HydrophobicContact CD2-CB 4.16Å; L43-R69 HydrophobicContact CD2-CG 4.12Å; L43-R69 PolarHBondContact O-NH2 2.7Å; L43-L72 HydrophobicContact CD2-CB 4.26Å; L43-L72 HydrophobicContact CD2-CD1 3.77Å
44G87Confident81Confident18 Ų1863.5 Ų63.519%0.18634%0.338CS..  trans-69.3-140.2170.300000111.3D14 R69D14-G44 WeakPolarHBondContact O-CA 3.42Å; D14-G44 PolarHBondContact O-N 2.93Å; G44-R69 PolarHBondContact O-NH2 3.34Å
45D85.7Confident79.1Confident115 Ų11573.1 Ų73.162%0.61538%0.38SS*.  trans-69.2138.3-178.8-74.7-23.4000111.6D14D14-D45 HydrophobicContact CB-CB 4.43Å; D14-D45 PolarHBondContact N-O 3.36Å
46V83.8Confident76.9Confident17 Ų1774.5 Ų74.510%0.10339%0.386CS..EExtended strand (participates in β ladder)trans-112.9118.6174.4-179.60000106.5T12 L13 L43 V48 E65 L68 R69T12-V46 WeakPolarHBondContact O-CA 3.42Å; L13-V46 HydrophobicContact CD2-CB 4.37Å; L13-V46 HydrophobicContact CD2-CG1 3.9Å; L13-V46 HydrophobicContact CD2-CG2 3.97Å; L43-V46 HydrophobicContact CD1-CG2 4.42Å; L43-V46 HydrophobicContact CD2-CG2 3.35Å; L43-V46 HydrophobicContact CG-CG2 3.7Å; V46-V48 HydrophobicContact CG1-CG2 4.4Å; V46-E65 HydrophobicContact CB-CB 4.44Å; V46-E65 HydrophobicContact CB-CG 4.49Å; V46-E65 HydrophobicContact CG1-CB 4.3Å; V46-E65 HydrophobicContact CG1-CG 4.21Å; V46-E65 VanDerWaalsContact O-CD 3.3Å; V46-E65 VanDerWaalsContact O-CG 3.25Å; V46-E65 WeakPolarHBondContact O-CG 3.28Å; V46-L68 HydrophobicContact CG1-CD2 3.71Å; V46-L68 HydrophobicContact CG1-CG 4.39Å; V46-R69 HydrophobicContact CG2-CB 4.4Å
47S81.8Confident74.8Confident39 Ų3985.2 Ų85.227%0.27343%0.426SS..EExtended strand (participates in β ladder)trans-114.4125.3176.4-167.20000110.2V11 T12V11-S47 CarbonylContact C-O 3.54Å; V11-S47 WeakPolarHBondContact CA-O 3.16Å; T12-S47 PolarHBondContact N-O 3.39Å; T12-S47 PolarHBondContact O-N 3.14Å
48V81.1Confident72.8Confident18 Ų1887 Ų8711%0.10942%0.424CS..EExtended strand (participates in β ladder)trans-113.9113.3176.3-178.20000109.6F9 Y10 V11 V46 A64 E65 L68F9-V48 HydrophobicContact CB-CG1 4.21Å; F9-V48 HydrophobicContact CD1-CG1 3.57Å; F9-V48 HydrophobicContact CE1-CG1 4.4Å; F9-V48 HydrophobicContact CG-CG1 4.28Å; Y10-V48 WeakPolarHBondContact O-CA 3.31Å; V11-V48 HydrophobicContact CG2-CG2 4.36Å; V46-V48 HydrophobicContact CG1-CG2 4.4Å; V48-A64 HydrophobicContact CG2-CB 4.47Å; V48-E65 HydrophobicContact CB-CG 4.24Å; V48-E65 HydrophobicContact CG2-CG 3.77Å; V48-L68 HydrophobicContact CG2-CD2 4.37Å
49Q77.8Confident71.2Confident112 Ų11290.3 Ų90.352%0.52344%0.444SS..EExtended strand (participates in β ladder)trans-112.9156.5176.5-53.3-175.815.400110.8F9 Y10F9-Q49 CarbonylContact C-O 3.5Å; F9-Q49 VanDerWaalsContact CA-O 3.26Å; F9-Q49 WeakPolarHBondContact CA-O 3.42Å; Y10-Q49 PolarHBondContact N-O 2.99Å; Y10-Q49 PolarHBondContact O-N 3.27Å
50T74.5Confident69.9Low52 Ų5297.8 Ų97.832%0.31947%0.471SS..EExtended strand (participates in β ladder)trans-121.7137.9177.754.50000111V8 F9 H52V8-T50 WeakPolarHBondContact O-CA 3.48Å; F9-T50 HydrophobicContact CD1-CG2 3.45Å; F9-T50 VanDerWaalsContact CD1-CG2 3.45Å; F9-T50 HydrophobicContact CE1-CG2 3.45Å; F9-T50 VanDerWaalsContact CE1-CG2 3.45Å; F9-T50 HydrophobicContact CG-CG2 4.36Å; F9-T50 HydrophobicContact CZ-CG2 4.36Å; T50-H52 PolarHBondContact O-N 3.34Å
51K68.4Low68.9Low141 Ų14196.2 Ų96.261%0.61347%0.465SS*.SBendtrans-61.4-24.8-179.5-156.9179.3-175.3-179.60114.5V8 Y10V8-K51 HydrophobicContact CB-CB 4.3Å; V8-K51 PolarHBondContact O-N 3.19Å; V8-K51 VanDerWaalsContact O-N 3.17Å; Y10-K51 HydrophobicContact CE2-CB 3.62Å; Y10-K51 HydrophobicContact CE2-CD 4.42Å; Y10-K51 HydrophobicContact CE2-CG 3.87Å; Y10-K51 WeakPolarHBondContact OH-CD 3.46Å
52H58.7Low68.2Low166 Ų166103.9 Ų103.977%0.76949%0.493SS*.SBendtrans-135.592.8-178.1-91.820.1000110.8T50T50-H52 PolarHBondContact O-N 3.34Å
53S50.2Low67.9Low62 Ų62103.1 Ų103.143%0.43450%0.496SS..  trans-172.3110.6145.9-178.80000109.6
54N45.2Very low67.6Low150 Ų150104.2 Ų104.280%0.80251%0.507SS*.SBendtrans-51.2136.1166.9-79.4-39000111.7H56N54-H56 VanDerWaalsContact C-N 3.27Å; N54-H56 PolarHBondContact O-N 3.23Å
55K53Low67.5Low202 Ų202105.7 Ų105.788%0.87851%0.509SS*.SBendtrans56.7-3.9154.8-69.4-173.3176.3179.80121.6
56H49.5Very low67.3Low128 Ų128109.2 Ų109.259%0.59351%0.514SS*.  trans-120.199.9170-67.6-58.7000110.1N54 F58N54-H56 VanDerWaalsContact C-N 3.27Å; N54-H56 PolarHBondContact O-N 3.23Å; H56-F58 HydrophobicContact CB-CD2 3.37Å; H56-F58 HydrophobicContact CB-CE2 3.3Å; H56-F58 HydrophobicContact CB-CG 4.14Å; H56-F58 HydrophobicContact CB-CZ 4.02Å; H56-F58 WeakPolarHBondContact O-CD2 3.33Å; H56-F58 PolarHBondContact O-N 2.77Å
57R47.3Very low67.3Low241 Ų241115.7 Ų115.791%0.90954%0.541SS*.  trans-5876.6152.2-87.9-177.5173.8165.7-3.3106.8
58F50.6Low67.4Low115 Ų115116.1 Ų116.150%0.50454%0.54SS..  trans-62.3143.7179.7-90.4-82.8000109H56 Y60 S61H56-F58 HydrophobicContact CB-CD2 3.37Å; H56-F58 HydrophobicContact CB-CE2 3.3Å; H56-F58 HydrophobicContact CB-CG 4.14Å; H56-F58 HydrophobicContact CB-CZ 4.02Å; H56-F58 WeakPolarHBondContact O-CD2 3.33Å; H56-F58 PolarHBondContact O-N 2.77Å; F58-Y60 HydrophobicContact CB-CD2 3.94Å; F58-Y60 PolarHBondContact O-N 3.33Å; F58-S61 PolarHBondContact O-N 3.43Å; F58-S61 VanDerWaalsContact O-N 3.08Å
59S58.6Low67.5Low88 Ų88119.7 Ų119.762%0.61555%0.551SS**THydrogen-bonded Turntrans-49-11.6-178.7-174.50000115.9S61S59-S61 VanDerWaalsContact C-N 3.28Å; S59-S61 PolarHBondContact O-N 3.24Å
60Y63.4Low67.8Low175 Ų175117.9 Ų117.969%0.68655%0.548SS*.Hα-helixtrans-65.3-26.8173.6-61.1-70.9000113.2F58 R62 I63 A64F58-Y60 HydrophobicContact CB-CD2 3.94Å; F58-Y60 PolarHBondContact O-N 3.33Å; Y60-R62 PolarHBondContact O-N 3.21Å; Y60-I63 PolarHBondContact O-N 2.66Å; Y60-A64 VanDerWaalsContact O-CB 3.24Å; Y60-A64 WeakPolarHBondContact O-CB 3.43Å; Y60-A64 PolarHBondContact O-N 2.74Å
61S69.4Low68.1Low28 Ų28121.7 Ų121.720%0.19656%0.562CS.*Hα-helixtrans-60.9-48.2-179.875.50000111F58 S59 I63 A64 E65F58-S61 PolarHBondContact O-N 3.43Å; F58-S61 VanDerWaalsContact O-N 3.08Å; S59-S61 VanDerWaalsContact C-N 3.28Å; S59-S61 PolarHBondContact O-N 3.24Å; S61-I63 VanDerWaalsContact C-N 3.33Å; S61-I63 PolarHBondContact O-N 3.13Å; S61-A64 CarbonylContact O-C 3.59Å; S61-A64 PolarHBondContact O-N 3.03Å; S61-E65 VanDerWaalsContact O-CB 3.32Å; S61-E65 WeakPolarHBondContact O-CB 3.26Å; S61-E65 WeakPolarHBondContact O-CG 3.36Å; S61-E65 PolarHBondContact O-N 3.03Å
62R75.5Confident68.9Low178 Ų178116.5 Ų116.567%0.67254%0.541SS*.Hα-helixtrans-61.8-38177.7-72.5-175.8176.7176.1-1113.3Y60 R66Y60-R62 PolarHBondContact O-N 3.21Å; R62-R66 WeakPolarHBondContact O-CB 3.21Å; R62-R66 WeakPolarHBondContact O-CG 3.4Å; R62-R66 PolarHBondContact O-N 3.03Å
63I78.9Confident70Confident107 Ų107111.5 Ų111.555%0.54952%0.518SS..Hα-helixtrans-68.6-44.2177.6-63.4172.8000109.7Y60 S61 K67Y60-I63 PolarHBondContact O-N 2.66Å; S61-I63 VanDerWaalsContact C-N 3.33Å; S61-I63 PolarHBondContact O-N 3.13Å; I63-K67 WeakPolarHBondContact O-CB 3.45Å; I63-K67 PolarHBondContact O-N 3.37Å
64A79.8Confident71.4Confident37 Ų37113.8 Ų113.831%0.30653%0.525SS..Hα-helixtrans-63.6-45.2176.700000111.5V48 Y60 S61 K67 L68V48-A64 HydrophobicContact CG2-CB 4.47Å; Y60-A64 VanDerWaalsContact O-CB 3.24Å; Y60-A64 WeakPolarHBondContact O-CB 3.43Å; Y60-A64 PolarHBondContact O-N 2.74Å; S61-A64 CarbonylContact O-C 3.59Å; S61-A64 PolarHBondContact O-N 3.03Å; A64-K67 PolarHBondContact O-N 3.35Å; A64-L68 WeakPolarHBondContact O-CB 3.41Å; A64-L68 PolarHBondContact O-N 3.11Å
65E83.4Confident73.3Confident48 Ų48107.3 Ų107.322%0.22449%0.494CS..Hα-helixtrans-59.4-49.1177.1-72.7162.4-167.800111.4V46 V48 S61 L68 R69V46-E65 HydrophobicContact CB-CB 4.44Å; V46-E65 HydrophobicContact CB-CG 4.49Å; V46-E65 HydrophobicContact CG1-CB 4.3Å; V46-E65 HydrophobicContact CG1-CG 4.21Å; V46-E65 VanDerWaalsContact O-CD 3.3Å; V46-E65 VanDerWaalsContact O-CG 3.25Å; V46-E65 WeakPolarHBondContact O-CG 3.28Å; V48-E65 HydrophobicContact CB-CG 4.24Å; V48-E65 HydrophobicContact CG2-CG 3.77Å; S61-E65 VanDerWaalsContact O-CB 3.32Å; S61-E65 WeakPolarHBondContact O-CB 3.26Å; S61-E65 WeakPolarHBondContact O-CG 3.36Å; S61-E65 PolarHBondContact O-N 3.03Å; E65-L68 PolarHBondContact O-N 3.42Å; E65-R69 WeakPolarHBondContact O-CB 3.2Å; E65-R69 PolarHBondContact O-N 3.28Å
66R83.3Confident74.7Confident190 Ų19098.6 Ų98.672%0.71746%0.457SS*.Hα-helixtrans-61.8-47.3176.9-75.6178.9-178.3-179.3-0.3111.9R62 L68 R69 T70R62-R66 WeakPolarHBondContact O-CB 3.21Å; R62-R66 WeakPolarHBondContact O-CG 3.4Å; R62-R66 PolarHBondContact O-N 3.03Å; R66-L68 VanDerWaalsContact C-N 3.34Å; R66-R69 PolarHBondContact O-N 2.67Å; R66-T70 PolarHBondContact O-N 2.89Å; R66-T70 PolarHBondContact O-OG1 3.15Å; R66-T70 VanDerWaalsContact O-OG1 3.13Å
67K82.9Confident76.6Confident152 Ų15293.2 Ų93.266%0.66143%0.433SS*.Hα-helixtrans-64.3-42.4-179.8-171.5171.5-177.3179.40111.1I63 A64 T70 E71I63-K67 WeakPolarHBondContact O-CB 3.45Å; I63-K67 PolarHBondContact O-N 3.37Å; A64-K67 PolarHBondContact O-N 3.35Å; K67-T70 PolarHBondContact O-N 2.85Å; K67-E71 VanDerWaalsContact O-CB 3.3Å; K67-E71 WeakPolarHBondContact O-CB 3.34Å; K67-E71 PolarHBondContact O-N 2.79Å
68L83.4Confident78.4Confident49 Ų4988.3 Ų88.326%0.25742%0.42SS..Hα-helixtrans-63.9-44.1176.5-177.364.7000111.1V11 L13 V46 V48 A64 E65 R66 E71 L72V11-L68 HydrophobicContact CB-CD2 4.41Å; V11-L68 HydrophobicContact CG1-CD2 3.41Å; V11-L68 VanDerWaalsContact CG1-CD2 3.41Å; V11-L68 HydrophobicContact CG2-CD2 4.08Å; L13-L68 HydrophobicContact CD2-CD2 4.42Å; V46-L68 HydrophobicContact CG1-CD2 3.71Å; V46-L68 HydrophobicContact CG1-CG 4.39Å; V48-L68 HydrophobicContact CG2-CD2 4.37Å; A64-L68 WeakPolarHBondContact O-CB 3.41Å; A64-L68 PolarHBondContact O-N 3.11Å; E65-L68 PolarHBondContact O-N 3.42Å; R66-L68 VanDerWaalsContact C-N 3.34Å; L68-E71 PolarHBondContact O-N 2.72Å; L68-L72 HydrophobicContact CD1-CD1 3.95Å; L68-L72 HydrophobicContact CD1-CD2 4.49Å; L68-L72 HydrophobicContact CD1-CG 4.06Å; L68-L72 HydrophobicContact CD2-CD1 4.44Å; L68-L72 HydrophobicContact CG-CD1 3.76Å; L68-L72 HydrophobicContact CG-CG 4.28Å; L68-L72 WeakPolarHBondContact O-CB 3.48Å; L68-L72 WeakPolarHBondContact O-CG 3.25Å; L68-L72 PolarHBondContact O-N 3.26Å
69R84Confident80Confident93 Ų9387 Ų8735%0.35142%0.415SS..Hα-helixtrans-57.3-52.8174.8175.9179.2-83.8-176.1-3.9111.3L43 G44 V46 E65 R66 E71 L72 E73L43-R69 HydrophobicContact CD2-CB 4.16Å; L43-R69 HydrophobicContact CD2-CG 4.12Å; L43-R69 PolarHBondContact O-NH2 2.7Å; G44-R69 PolarHBondContact O-NH2 3.34Å; V46-R69 HydrophobicContact CG2-CB 4.4Å; E65-R69 WeakPolarHBondContact O-CB 3.2Å; E65-R69 PolarHBondContact O-N 3.28Å; R66-R69 PolarHBondContact O-N 2.67Å; R69-E71 VanDerWaalsContact C-N 3.3Å; R69-E71 PolarHBondContact O-N 3.16Å; R69-L72 PolarHBondContact O-N 3.13Å; R69-E73 WeakPolarHBondContact CD-OE1 3.49Å; R69-E73 VanDerWaalsContact CG-CD 3.49Å; R69-E73 HydrophobicContact CG-CG 4.26Å; R69-E73 WeakPolarHBondContact CG-OE1 3.34Å; R69-E73 IonicContact NE-OE1 2.77Å; R69-E73 WeakPolarHBondContact O-CB 3.11Å; R69-E73 WeakPolarHBondContact O-CG 3.44Å; R69-E73 PolarHBondContact O-N 3.21Å
70T83Confident81.3Confident74 Ų7483 Ų8345%0.45439%0.387SS..Hα-helixtrans-61.6-39-179.5-560000112.3R66 K67 N74R66-T70 PolarHBondContact O-N 2.89Å; R66-T70 PolarHBondContact O-OG1 3.15Å; R66-T70 VanDerWaalsContact O-OG1 3.13Å; K67-T70 PolarHBondContact O-N 2.85Å; T70-N74 WeakPolarHBondContact O-CB 3.34Å; T70-N74 PolarHBondContact O-N 2.94Å; T70-N74 VanDerWaalsContact O-N 3.1Å
71E82.5Confident82.5Confident131 Ų13178.5 Ų78.561%0.61237%0.373SS*.Hα-helixtrans-68.7-38.9178.1-164.365.8-160.800112K67 L68 R69 G75K67-E71 VanDerWaalsContact O-CB 3.3Å; K67-E71 WeakPolarHBondContact O-CB 3.34Å; K67-E71 PolarHBondContact O-N 2.79Å; L68-E71 PolarHBondContact O-N 2.72Å; R69-E71 VanDerWaalsContact C-N 3.3Å; R69-E71 PolarHBondContact O-N 3.16Å; E71-G75 WeakPolarHBondContact O-CA 3.26Å; E71-G75 PolarHBondContact O-N 2.97Å
72L84Confident83.2Confident32 Ų3283.8 Ų83.817%0.16840%0.395CS..Hα-helixtrans-70.3-48.6176.2-67.2170.4000110.7L13 F41 L43 L68 R69 M76L13-L72 HydrophobicContact CD1-CD1 3.89Å; L13-L72 HydrophobicContact CD2-CD1 3.95Å; F41-L72 HydrophobicContact CE1-CB 3.97Å; F41-L72 HydrophobicContact CZ-CB 4.41Å; L43-L72 HydrophobicContact CD2-CB 4.26Å; L43-L72 HydrophobicContact CD2-CD1 3.77Å; L68-L72 HydrophobicContact CD1-CD1 3.95Å; L68-L72 HydrophobicContact CD1-CD2 4.49Å; L68-L72 HydrophobicContact CD1-CG 4.06Å; L68-L72 HydrophobicContact CD2-CD1 4.44Å; L68-L72 HydrophobicContact CG-CD1 3.76Å; L68-L72 HydrophobicContact CG-CG 4.28Å; L68-L72 WeakPolarHBondContact O-CB 3.48Å; L68-L72 WeakPolarHBondContact O-CG 3.25Å; L68-L72 PolarHBondContact O-N 3.26Å; R69-L72 PolarHBondContact O-N 3.13Å; L72-M76 HydrophobicContact CB-CE 4.3Å; L72-M76 HydrophobicContact CD2-CE 3.45Å; L72-M76 VanDerWaalsContact CD2-CE 3.45Å; L72-M76 HydrophobicContact CG-CE 4.36Å; L72-M76 WeakPolarHBondContact O-CB 3.21Å; L72-M76 WeakPolarHBondContact O-CG 3.46Å; L72-M76 PolarHBondContact O-N 3.42Å
73E82.5Confident83.7Confident62 Ų6279.7 Ų79.729%0.2938%0.382SS..Hα-helixtrans-59.6-53.4-178.9-77.2169.8179.900112.4F41 R69F41-E73 HydrophobicContact CD1-CB 4.25Å; F41-E73 HydrophobicContact CD1-CG 3.71Å; F41-E73 HydrophobicContact CE1-CG 4.39Å; R69-E73 WeakPolarHBondContact CD-OE1 3.49Å; R69-E73 VanDerWaalsContact CG-CD 3.49Å; R69-E73 HydrophobicContact CG-CG 4.26Å; R69-E73 WeakPolarHBondContact CG-OE1 3.34Å; R69-E73 IonicContact NE-OE1 2.77Å; R69-E73 WeakPolarHBondContact O-CB 3.11Å; R69-E73 WeakPolarHBondContact O-CG 3.44Å; R69-E73 PolarHBondContact O-N 3.21Å
74N79.9Confident84Confident109 Ų10974.8 Ų74.858%0.58336%0.358SS*.Hα-helixtrans-78.6-46.1-177.7-67.3-30.1000111.7T70 M76 C77 E78T70-N74 WeakPolarHBondContact O-CB 3.34Å; T70-N74 PolarHBondContact O-N 2.94Å; T70-N74 VanDerWaalsContact O-N 3.1Å; N74-M76 PolarHBondContact O-N 3.16Å; N74-C77 PolarHBondContact O-N 3.16Å; N74-E78 PolarHBondContact O-N 3Å; N74-E78 VanDerWaalsContact O-N 3.1Å
75G84.1Confident84.4Confident14 Ų1473.6 Ų73.614%0.14435%0.349CS..Hα-helixtrans-69.3-32.5-17500000113.2E71 K79E71-G75 WeakPolarHBondContact O-CA 3.26Å; E71-G75 PolarHBondContact O-N 2.97Å; G75-K79 WeakPolarHBondContact O-CB 3.42Å; G75-K79 VanDerWaalsContact O-CG 3.26Å; G75-K79 WeakPolarHBondContact O-CG 3.5Å; G75-K79 PolarHBondContact O-N 2.88Å
76M83.6Confident84.5Confident20 Ų2079.3 Ų79.310%0.09937%0.374CS..Hα-helixtrans-68-48.4174.9-72.2-149.1-161.600111.3I18 F41 L72 N74 E78 K79 I80I18-M76 HydrophobicContact CD1-SD 4.24Å; F41-M76 HydrophobicContact CD2-CB 4.13Å; F41-M76 HydrophobicContact CD2-CG 4.41Å; F41-M76 HydrophobicContact CD2-SD 3.81Å; F41-M76 HydrophobicContact CE2-CB 4.43Å; F41-M76 HydrophobicContact CE2-CE 3.82Å; F41-M76 HydrophobicContact CE2-CG 4.23Å; F41-M76 HydrophobicContact CE2-SD 3.2Å; F41-M76 WeakPolarHBondContact CE2-SD 3.42Å; F41-M76 HydrophobicContact CZ-CE 3.65Å; F41-M76 HydrophobicContact CZ-SD 3.66Å; L72-M76 HydrophobicContact CB-CE 4.3Å; L72-M76 HydrophobicContact CD2-CE 3.45Å; L72-M76 VanDerWaalsContact CD2-CE 3.45Å; L72-M76 HydrophobicContact CG-CE 4.36Å; L72-M76 WeakPolarHBondContact O-CB 3.21Å; L72-M76 WeakPolarHBondContact O-CG 3.46Å; L72-M76 PolarHBondContact O-N 3.42Å; N74-M76 PolarHBondContact O-N 3.16Å; M76-E78 PolarHBondContact O-N 2.88Å; M76-K79 PolarHBondContact O-N 2.88Å; M76-I80 WeakPolarHBondContact O-CB 2.89Å; M76-I80 WeakPolarHBondContact O-CG1 3.09Å; M76-I80 PolarHBondContact O-N 2.69Å
77C87.8Confident84.6Confident15 Ų1572.1 Ų72.110%0.10135%0.354CS..Hα-helixtrans-66-40.3-177.4-81.90000112.8C39 N74 K79 I80 I81C39-C77 HydrophobicContact CB-CB 3.62Å; C39-C77 WeakPolarHBondContact CB-SG 3.49Å; C39-C77 PolarHBondContact O-SG 2.81Å; C39-C77 WeakPolarHBondContact SG-CA 3.22Å; C39-C77 WeakPolarHBondContact SG-CB 3.34Å; C39-C77 CovalentContact SG-SG 2.06Å; C39-C77 PolarHBondContact SG-SG 2.83Å; N74-C77 PolarHBondContact O-N 3.16Å; C77-K79 PolarHBondContact O-N 2.69Å; C77-I80 PolarHBondContact O-N 2.95Å; C77-I81 WeakPolarHBondContact O-CB 3.32Å; C77-I81 WeakPolarHBondContact O-CD1 3.31Å; C77-I81 VanDerWaalsContact O-CG1 3.24Å; C77-I81 WeakPolarHBondContact O-CG1 3.44Å; C77-I81 PolarHBondContact O-N 3.1Å
78E86.7Confident84.9Confident137 Ų13767.5 Ų67.564%0.6434%0.336SS*.Hα-helixtrans-59-48.4175.1-172.7-177.8171.300111.5N74 M76 I80 I81 Q82N74-E78 PolarHBondContact O-N 3Å; N74-E78 VanDerWaalsContact O-N 3.1Å; M76-E78 PolarHBondContact O-N 2.88Å; E78-I80 PolarHBondContact O-N 3.06Å; E78-I81 PolarHBondContact O-N 2.83Å; E78-Q82 WeakPolarHBondContact O-CB 3.48Å; E78-Q82 PolarHBondContact O-N 2.83Å
79K83.9Confident85.3Confident88 Ų8867 Ų6738%0.38333%0.334SS..Hα-helixtrans-67.1-36.2179.1-68.3-179.8-176.8179.30112.3G75 M76 C77 K83 L418G75-K79 WeakPolarHBondContact O-CB 3.42Å; G75-K79 VanDerWaalsContact O-CG 3.26Å; G75-K79 WeakPolarHBondContact O-CG 3.5Å; G75-K79 PolarHBondContact O-N 2.88Å; M76-K79 PolarHBondContact O-N 2.88Å; C77-K79 PolarHBondContact O-N 2.69Å; K79-K83 WeakPolarHBondContact O-CB 3.46Å; K79-K83 PolarHBondContact O-N 2.82Å; K79-L418 HydrophobicContact CB-CD2 3.21Å; K79-L418 HydrophobicContact CD-CD2 3.29Å; K79-L418 HydrophobicContact CG-CD2 3.89Å
80I86.2Confident85.5Confident5 Ų565.6 Ų65.63%0.02634%0.342CS..Hα-helixtrans-63.4-47.7175.4-73.2169.2000110.3I18 V20 I36 M76 C77 E78 Q82 G84 F415 L418I18-I80 HydrophobicContact CD1-CD1 4.24Å; I18-I80 HydrophobicContact CG2-CD1 3.92Å; V20-I80 HydrophobicContact CG1-CG2 4.34Å; V20-I80 HydrophobicContact CG2-CG2 4.06Å; I36-I80 HydrophobicContact CD1-CG2 4.01Å; I36-I80 VanDerWaalsContact CD1-O 3.25Å; I36-I80 WeakPolarHBondContact CD1-O 3.27Å; M76-I80 WeakPolarHBondContact O-CB 2.89Å; M76-I80 WeakPolarHBondContact O-CG1 3.09Å; M76-I80 PolarHBondContact O-N 2.69Å; C77-I80 PolarHBondContact O-N 2.95Å; E78-I80 PolarHBondContact O-N 3.06Å; I80-Q82 PolarHBondContact O-N 3.25Å; I80-G84 WeakPolarHBondContact O-CA 3.31Å; I80-G84 PolarHBondContact O-N 3.39Å; I80-F415 HydrophobicContact CD1-CD1 4.36Å; I80-F415 HydrophobicContact CD1-CE1 3.95Å; I80-F415 HydrophobicContact CG1-CD1 4.1Å; I80-F415 HydrophobicContact CG1-CE1 3.85Å; I80-L418 HydrophobicContact CD1-CD1 4.48Å; I80-L418 HydrophobicContact CG1-CD1 3.91Å
81I88Confident85.6Confident80 Ų8064.7 Ų64.741%0.4133%0.331SS..Hα-helixtrans-60.4-48178-68.7164.7000110I36 C39 C77 E78I36-I81 HydrophobicContact CB-CG1 4.42Å; I36-I81 HydrophobicContact CG2-CG1 3.79Å; C39-I81 HydrophobicContact CB-CD1 4.34Å; C39-I81 HydrophobicContact CB-CG1 4.37Å; C77-I81 WeakPolarHBondContact O-CB 3.32Å; C77-I81 WeakPolarHBondContact O-CD1 3.31Å; C77-I81 VanDerWaalsContact O-CG1 3.24Å; C77-I81 WeakPolarHBondContact O-CG1 3.44Å; C77-I81 PolarHBondContact O-N 3.1Å; E78-I81 PolarHBondContact O-N 2.83Å
82Q83.8Confident85.9Confident139 Ų13960.1 Ų60.165%0.6531%0.311SS*.Hα-helixtrans-67.3-48.8-176.1-167.8-170.829.300113.4E78 I80E78-Q82 WeakPolarHBondContact O-CB 3.48Å; E78-Q82 PolarHBondContact O-N 2.83Å; I80-Q82 PolarHBondContact O-N 3.25Å
83K85.6Confident86.1Confident91 Ų9161 Ų6140%0.39633%0.328SS..Hα-helixtrans-86.5-35.3-176.5-67.1-175.8178.61790112.4K79 K86 A87K79-K83 WeakPolarHBondContact O-CB 3.46Å; K79-K83 PolarHBondContact O-N 2.82Å; K83-K86 PolarHBondContact O-N 2.85Å; K83-A87 WeakPolarHBondContact O-CB 3.46Å; K83-A87 PolarHBondContact O-N 3.4Å
84G85.7Confident86.2Confident5 Ų565.2 Ų65.25%0.05235%0.345CS..Hα-helixtrans-63.5-50.3-175.100000112.3I80 K86 A87 M88I80-G84 WeakPolarHBondContact O-CA 3.31Å; I80-G84 PolarHBondContact O-N 3.39Å; G84-K86 VanDerWaalsContact C-N 3.31Å; G84-K86 PolarHBondContact O-N 2.76Å; G84-A87 PolarHBondContact O-N 2.65Å; G84-M88 WeakPolarHBondContact O-CB 3.31Å; G84-M88 VanDerWaalsContact O-CG 3.27Å; G84-M88 WeakPolarHBondContact O-CG 3.21Å; G84-M88 PolarHBondContact O-N 2.89Å
85G87.2Confident86.5Confident12 Ų1265 Ų6512%0.12434%0.337CS..Hα-helixtrans-56.9-43.8177.300000112.6A87 N89G85-A87 PolarHBondContact O-N 3.11Å; G85-N89 WeakPolarHBondContact O-CB 3.37Å; G85-N89 PolarHBondContact O-N 3.44Å; G85-N89 PolarHBondContact O-ND2 2.92Å
86K87Confident86.5Confident168 Ų16867.6 Ų67.673%0.7335%0.351SS*.Hα-helixtrans-62-45.8177.4-174.9176.9-179.9178.10112.1K83 G84 A90K83-K86 PolarHBondContact O-N 2.85Å; G84-K86 VanDerWaalsContact C-N 3.31Å; G84-K86 PolarHBondContact O-N 2.76Å; K86-A90 VanDerWaalsContact O-CB 3.28Å; K86-A90 WeakPolarHBondContact O-CB 3.4Å; K86-A90 PolarHBondContact O-N 2.87Å
87A85.5Confident86.8Confident38 Ų3867.8 Ų67.831%0.31435%0.353SS..Hα-helixtrans-71.2-39-178.600000112.8K83 G84 G85 A90 F91 L414K83-A87 WeakPolarHBondContact O-CB 3.46Å; K83-A87 PolarHBondContact O-N 3.4Å; G84-A87 PolarHBondContact O-N 2.65Å; G85-A87 PolarHBondContact O-N 3.11Å; A87-A90 PolarHBondContact O-N 3.37Å; A87-F91 PolarHBondContact O-N 3.5Å; A87-L414 HydrophobicContact CB-CD2 3.3Å; A87-L414 HydrophobicContact CB-CG 4.09Å
88M88Confident86.9Confident56 Ų5671.6 Ų71.628%0.27637%0.368SS..Hα-helixtrans-60.6-47.6173-68.9-176.676.600111V22 A34 I36 G84 F91 L92V22-M88 HydrophobicContact CB-CE 4.37Å; V22-M88 HydrophobicContact CG1-CE 3.54Å; V22-M88 HydrophobicContact CG1-SD 4.25Å; V22-M88 HydrophobicContact CG2-CE 3.97Å; V22-M88 HydrophobicContact CG2-SD 4.12Å; A34-M88 HydrophobicContact CB-CB 3.91Å; A34-M88 HydrophobicContact CB-CE 3.76Å; A34-M88 HydrophobicContact CB-SD 4.25Å; I36-M88 HydrophobicContact CG1-SD 4.31Å; G84-M88 WeakPolarHBondContact O-CB 3.31Å; G84-M88 VanDerWaalsContact O-CG 3.27Å; G84-M88 WeakPolarHBondContact O-CG 3.21Å; G84-M88 PolarHBondContact O-N 2.89Å; M88-F91 WeakPolarHBondContact O-CB 3.32Å; M88-F91 PolarHBondContact O-N 3.33Å; M88-F91 VanDerWaalsContact O-N 3.12Å; M88-L92 WeakPolarHBondContact O-CG 3.09Å; M88-L92 PolarHBondContact O-N 3.47Å
89N91.4Very high87Confident38 Ų3866.3 Ų66.320%0.20335%0.346CS..Hα-helixtrans-68.2-35.5178.3-72.7-50.9000113H33 A34 G85 F91 L92 G93H33-N89 WeakPolarHBondContact CA-OD1 3.27Å; H33-N89 PolarHBondContact CE1-ND2 3.38Å; H33-N89 PolarHBondContact ND1-ND2 2.86Å; H33-N89 PolarHBondContact ND1-OD1 3.49Å; A34-N89 PolarHBondContact N-OD1 3.31Å; A34-N89 PolarHBondContact O-ND2 3.21Å; A34-N89 PolarHBondContact O-OD1 3.22Å; G85-N89 WeakPolarHBondContact O-CB 3.37Å; G85-N89 PolarHBondContact O-N 3.44Å; G85-N89 PolarHBondContact O-ND2 2.92Å; N89-F91 PolarHBondContact O-N 2.92Å; N89-L92 PolarHBondContact O-N 3.34Å; N89-G93 PolarHBondContact O-N 2.73Å
90A88.5Confident87.1Confident63 Ų6365.8 Ų65.852%0.52134%0.344SS..Hα-helixtrans-63.6-30.8171.700000112.2K86 A87K86-A90 VanDerWaalsContact O-CB 3.28Å; K86-A90 WeakPolarHBondContact O-CB 3.4Å; K86-A90 PolarHBondContact O-N 2.87Å; A87-A90 PolarHBondContact O-N 3.37Å
91F85.2Confident87Confident55 Ų5566.5 Ų66.524%0.24135%0.349CS..Hα-helixtrans-75.8-48.7173.4176.3-107.9000112.1A87 M88 N89 G93 K94 Y95 I379A87-F91 PolarHBondContact O-N 3.5Å; M88-F91 WeakPolarHBondContact O-CB 3.32Å; M88-F91 PolarHBondContact O-N 3.33Å; M88-F91 VanDerWaalsContact O-N 3.12Å; N89-F91 PolarHBondContact O-N 2.92Å; F91-G93 VanDerWaalsContact C-N 3.29Å; F91-G93 PolarHBondContact O-N 3.3Å; F91-K94 WeakPolarHBondContact O-CB 3.25Å; F91-K94 PolarHBondContact O-N 3.47Å; F91-K94 VanDerWaalsContact O-N 3.15Å; F91-Y95 HydrophobicContact CD1-CE2 4.43Å; F91-Y95 AromaticContact CE1-CE2 3.86Å; F91-Y95 HydrophobicContact CE1-CE2 3.86Å; F91-Y95 AromaticContact CE2-CE2 3.92Å; F91-Y95 HydrophobicContact CE2-CE2 3.92Å; F91-Y95 AromaticContact CZ-CE2 3.59Å; F91-Y95 HydrophobicContact CZ-CE2 3.59Å; F91-Y95 AromaticContact CZ-CZ 3.93Å; F91-Y95 VanDerWaalsContact CZ-OH 3.32Å; F91-Y95 WeakPolarHBondContact CZ-OH 3.37Å; F91-I379 HydrophobicContact CE1-CD1 4.35Å; F91-I379 HydrophobicContact CE2-CG2 4.13Å; F91-I379 HydrophobicContact CZ-CD1 3.68Å; F91-I379 HydrophobicContact CZ-CG1 4.23Å; F91-I379 HydrophobicContact CZ-CG2 4.13Å
92L88.6Confident86.7Confident35 Ų3564.2 Ų64.218%0.18334%0.34CS..Hα-helixtrans-61.2-38178.1-69176.1000112M32 A34 M88 N89 K94 Y95M32-L92 HydrophobicContact CB-CD1 4.28Å; M32-L92 HydrophobicContact CB-CD2 4.48Å; M32-L92 HydrophobicContact CG-CD1 3.98Å; M32-L92 HydrophobicContact CG-CD2 4.41Å; M32-L92 HydrophobicContact SD-CD1 4.16Å; M32-L92 HydrophobicContact SD-CD2 3.75Å; A34-L92 HydrophobicContact CB-CD1 3.65Å; M88-L92 WeakPolarHBondContact O-CG 3.09Å; M88-L92 PolarHBondContact O-N 3.47Å; N89-L92 PolarHBondContact O-N 3.34Å; L92-K94 PolarHBondContact O-N 3.04Å; L92-K94 VanDerWaalsContact O-N 3.08Å; L92-Y95 PolarHBondContact O-N 2.96Å
93G88Confident86.4Confident50 Ų5063 Ų6352%0.51533%0.334SS..THydrogen-bonded Turntrans-63.2-12.7177.300000114.9N89 F91 Y95N89-G93 PolarHBondContact O-N 2.73Å; F91-G93 VanDerWaalsContact C-N 3.29Å; F91-G93 PolarHBondContact O-N 3.3Å; G93-Y95 VanDerWaalsContact C-N 3.29Å
94K86.3Confident85.7Confident152 Ų15263.3 Ų63.366%0.66134%0.336SS*.THydrogen-bonded Turntrans-77.5-15173.5-65.1177.7-178-176.90113.1F91 L92 P96F91-K94 WeakPolarHBondContact O-CB 3.25Å; F91-K94 PolarHBondContact O-N 3.47Å; F91-K94 VanDerWaalsContact O-N 3.15Å; L92-K94 PolarHBondContact O-N 3.04Å; L92-K94 VanDerWaalsContact O-N 3.08Å; K94-P96 VanDerWaalsContact O-CD 3.28Å; K94-P96 WeakPolarHBondContact O-CD 3.47Å
95Y84.6Confident84.9Confident104 Ų10464.7 Ų64.741%0.40834%0.342SS..SBendtrans-96.5104.4179.1-64.3-83.5000109.4F91 L92 G93F91-Y95 HydrophobicContact CD1-CE2 4.43Å; F91-Y95 AromaticContact CE1-CE2 3.86Å; F91-Y95 HydrophobicContact CE1-CE2 3.86Å; F91-Y95 AromaticContact CE2-CE2 3.92Å; F91-Y95 HydrophobicContact CE2-CE2 3.92Å; F91-Y95 AromaticContact CZ-CE2 3.59Å; F91-Y95 HydrophobicContact CZ-CE2 3.59Å; F91-Y95 AromaticContact CZ-CZ 3.93Å; F91-Y95 VanDerWaalsContact CZ-OH 3.32Å; F91-Y95 WeakPolarHBondContact CZ-OH 3.37Å; L92-Y95 PolarHBondContact O-N 2.96Å; G93-Y95 VanDerWaalsContact C-N 3.29Å
96P85.4Confident83.6Confident69 Ų6966.9 Ų66.945%0.44835%0.354SS..  trans-67.8143.9177.829.9-34.9000110.3K94 V99K94-P96 VanDerWaalsContact O-CD 3.28Å; K94-P96 WeakPolarHBondContact O-CD 3.47Å; P96-V99 HydrophobicContact CG-CG2 4.32Å
97T89.6Confident82Confident23 Ų2369.9 Ų69.914%0.14136%0.361CS..SBendtrans-80.6-8.6171.549.30000112.8G30 Q31 D146 T147G30-T97 WeakPolarHBondContact O-CG2 3.49Å; Q31-T97 HydrophobicContact CB-CG2 4.26Å; Q31-T97 HydrophobicContact CG-CG2 3.52Å; T97-D146 CarbonylContact O-C 3.56Å; T97-D146 WeakPolarHBondContact O-CA 3.46Å; T97-T147 PolarHBondContact O-N 2.88Å; T97-T147 PolarHBondContact O-OG1 3.01Å
98K89.3Confident80.1Confident95 Ų9577.5 Ų77.541%0.41338%0.381SS..EExtended strand (participates in β ladder)trans-130.1111.4-177.3-75.9-173.3-174.7-175.30107.8V144 I145 I170K98-V144 HydrophobicContact CB-CG1 3.57Å; K98-V144 HydrophobicContact CD-CG1 4.49Å; K98-V144 HydrophobicContact CG-CG1 4.03Å; K98-I145 WeakPolarHBondContact CA-O 3.35Å; K98-I170 HydrophobicContact CD-CD1 4.38Å
99V88.3Confident77.5Confident27 Ų2783.7 Ų83.716%0.16441%0.409CS..EExtended strand (participates in β ladder)trans-111.2127-177.6-174.50000109.5P96 F104 V144 I145P96-V99 HydrophobicContact CG-CG2 4.32Å; V99-F104 HydrophobicContact CB-CE2 4.41Å; V99-F104 HydrophobicContact CB-CZ 4.5Å; V99-F104 HydrophobicContact CG1-CE2 3.56Å; V99-F104 HydrophobicContact CG1-CZ 3.61Å; V99-V144 CarbonylContact O-C 3.5Å; V99-V144 WeakPolarHBondContact O-CA 3.41Å; V99-I145 PolarHBondContact N-O 3.06Å; V99-I145 PolarHBondContact O-N 2.89Å
100H87.5Confident74.6Confident76 Ų7693.2 Ų93.235%0.35244%0.442SS..EExtended strand (participates in β ladder)trans-74.1133.2178.6-65-94.4000110.4S102 E103 R141H100-S102 PolarHBondContact O-N 2.69Å; H100-S102 VanDerWaalsContact O-N 3.11Å; H100-E103 HydrophobicContact CB-CG 4.16Å; H100-E103 WeakPolarHBondContact CB-OE1 3.24Å; H100-E103 IonicContact CD2-OE1 3.44Å; H100-E103 PolarHBondContact CD2-OE1 2.89Å; H100-E103 IonicContact CG-OE1 2.71Å; H100-E103 PolarHBondContact N-OE1 2.83Å; H100-E103 VanDerWaalsContact O-CB 3.32Å; H100-E103 WeakPolarHBondContact O-CB 3.35Å; H100-E103 PolarHBondContact O-N 2.78Å; H100-R141 PolarHBondContact ND1-O 2.82Å
101V84.2Confident72.1Confident20 Ų2095.1 Ų95.112%0.12145%0.452CS..G310 helixtrans-58.4-31178.6174.40000111.4E103 F104 L140 V143 I145 L208V101-E103 PolarHBondContact O-N 3.08Å; V101-F104 PolarHBondContact O-N 3.35Å; V101-F104 VanDerWaalsContact O-N 3.17Å; V101-L140 HydrophobicContact CG1-CD2 4.25Å; V101-V143 HydrophobicContact CB-CB 4.27Å; V101-V143 HydrophobicContact CB-CG1 4.45Å; V101-V143 HydrophobicContact CG2-CB 4Å; V101-V143 HydrophobicContact CG2-CG1 3.7Å; V101-V143 WeakPolarHBondContact CG2-O 3.38Å; V101-V143 PolarHBondContact N-O 3.16Å; V101-I145 HydrophobicContact CG2-CD1 4.1Å; V101-I145 HydrophobicContact CG2-CG1 4.03Å; V101-L208 HydrophobicContact CG1-CD1 4.39Å; V101-L208 HydrophobicContact CG2-CD1 3.78Å
102S80.9Confident69.4Low32 Ų32101.8 Ų101.822%0.22448%0.48CS..G310 helixtrans-60.9-20.7175.157.60000114.8H100 F104 L105H100-S102 PolarHBondContact O-N 2.69Å; H100-S102 VanDerWaalsContact O-N 3.11Å; S102-F104 VanDerWaalsContact C-N 3.29Å; S102-L105 WeakPolarHBondContact O-CB 3.28Å; S102-L105 PolarHBondContact O-N 3.26Å
103E77.6Confident66.7Low115 Ų115106.3 Ų106.354%0.53752%0.515SS..G310 helixtrans-72.2-25.5177.7-67.5174.1-132.900112.5H100 V101 L105H100-E103 HydrophobicContact CB-CG 4.16Å; H100-E103 WeakPolarHBondContact CB-OE1 3.24Å; H100-E103 IonicContact CD2-OE1 3.44Å; H100-E103 PolarHBondContact CD2-OE1 2.89Å; H100-E103 IonicContact CG-OE1 2.71Å; H100-E103 PolarHBondContact N-OE1 2.83Å; H100-E103 VanDerWaalsContact O-CB 3.32Å; H100-E103 WeakPolarHBondContact O-CB 3.35Å; H100-E103 PolarHBondContact O-N 2.78Å; V101-E103 PolarHBondContact O-N 3.08Å; E103-L105 VanDerWaalsContact C-N 3.3Å
104F72Confident63.9Low96 Ų96107 Ų10742%0.42152%0.522SS..G310 helixtrans-82.9-8.6175.5-58-74000113.1V99 V101 S102 P375V99-F104 HydrophobicContact CB-CE2 4.41Å; V99-F104 HydrophobicContact CB-CZ 4.5Å; V99-F104 HydrophobicContact CG1-CE2 3.56Å; V99-F104 HydrophobicContact CG1-CZ 3.61Å; V101-F104 PolarHBondContact O-N 3.35Å; V101-F104 VanDerWaalsContact O-N 3.17Å; S102-F104 VanDerWaalsContact C-N 3.29Å; F104-P375 HydrophobicContact CE1-CG 4.35Å
105L67.7Low61.4Low35 Ų35105.7 Ų105.718%0.18353%0.527CS..SBendtrans-70.9137.4172.5-62176.1000108.9S102 E103 R107 L130 T137 L140S102-L105 WeakPolarHBondContact O-CB 3.28Å; S102-L105 PolarHBondContact O-N 3.26Å; E103-L105 VanDerWaalsContact C-N 3.3Å; L105-R107 PolarHBondContact O-N 3.24Å; L105-L130 HydrophobicContact CD2-CB 4.17Å; L105-L130 HydrophobicContact CD2-CD1 4.18Å; L105-T137 HydrophobicContact CD1-CG2 4.33Å; L105-L140 HydrophobicContact CD1-CD1 3.95Å
106P59.8Low58.9Low58 Ų58110.7 Ų110.738%0.37755%0.551SS.*  trans-55.5118.3173.718.5-28000109.2R108 N128P106-R108 PolarHBondContact O-N 2.6Å; P106-N128 HydrophobicContact CG-CB 4.35Å
107R53.9Low56.3Low231 Ų231114.3 Ų114.387%0.87257%0.566SS**  trans-56.6115.8170.7-75.9-175.8170.7172.9-1.6106.2L105 H109L105-R107 PolarHBondContact O-N 3.24Å; R107-H109 PolarHBondContact O-N 2.91Å
108R44.8Very low53.5Low198 Ų198125.2 Ų125.275%0.74761%0.605SS**  trans-55.7110.5162.8-77.6-173.9178.81692.4104.9P106 R110P106-R108 PolarHBondContact O-N 2.6Å; R108-R110 VanDerWaalsContact C-N 3.28Å; R108-R110 PolarHBondContact O-N 2.91Å
109H33.6Very low50.7Low185 Ų185124.9 Ų124.986%0.85662%0.62SS**  trans-53.3105.9163.3-96.6-76.1000105R107 S111R107-H109 PolarHBondContact O-N 2.91Å; H109-S111 PolarHBondContact O-N 2.78Å
110R30Very low47.9Very low238 Ų238128.7 Ų128.790%0.89865%0.648SS**  trans-58.697.2156.1-93.5-178.5164.3171.3-5.2102.9R108 K112R108-R110 VanDerWaalsContact C-N 3.28Å; R108-R110 PolarHBondContact O-N 2.91Å; R110-K112 VanDerWaalsContact C-N 3.31Å; R110-K112 PolarHBondContact O-N 2.9Å
111S36.4Very low45Very low103 Ų103132.9 Ų132.972%0.7267%0.673SS**  trans-53.5110.8161.959.40000104H109 S113H109-S111 PolarHBondContact O-N 2.78Å; S111-S113 PolarHBondContact O-N 2.81Å; S111-S113 VanDerWaalsContact O-N 3.07Å
112K29.8Very low42.4Very low195 Ų195136 Ų13685%0.84870%0.695SS**  trans-54.3120.8164.9-73.7-178.3175.8-1800104.7R110 G114R110-K112 VanDerWaalsContact C-N 3.31Å; R110-K112 PolarHBondContact O-N 2.9Å; K112-G114 PolarHBondContact O-N 2.71Å; K112-G114 VanDerWaalsContact O-N 3.1Å
113S31.3Very low40Very low130 Ų130139.1 Ų139.191%0.90971%0.713SS**SBendtrans-42.1118.3171.3-590000109.2S111S111-S113 PolarHBondContact O-N 2.81Å; S111-S113 VanDerWaalsContact O-N 3.07Å
114G28.4Very low37.7Very low64 Ų64142 Ų14266%0.6673%0.726SS**  trans159.8116.5178.700000111.4K112K112-G114 PolarHBondContact O-N 2.71Å; K112-G114 VanDerWaalsContact O-N 3.1Å
115V34.8Very low35.7Very low125 Ų125145.5 Ų145.576%0.75874%0.741SS**  trans94.798.1171-167.60000115.4N117V115-N117 PolarHBondContact O-N 2.95Å
116K30.9Very low34.1Very low210 Ų210148.5 Ų148.591%0.91377%0.765SS**  trans-67.297.3161.2-71175.8176.4175.10108.7
117N31.9Very low33.1Very low145 Ų145148.9 Ų148.978%0.77577%0.766SS**  trans-103.1103.2160.4-80.6-9.3000109V115 A119V115-N117 PolarHBondContact O-N 2.95Å; N117-A119 PolarHBondContact O-N 3.36Å
118R30.2Very low32.8Very low251 Ų251141.3 Ų141.395%0.94774%0.743SS**  trans-72.599.5158.3-81.2177.7168.9151.3-5.6107
119A30.8Very low32.8Very low89 Ų89132.9 Ų132.974%0.73671%0.714SS**  trans-167.5117.1156.700000109.7N117N117-A119 PolarHBondContact O-N 3.36Å
120S29.1Very low33.6Very low107 Ų107126.6 Ų126.675%0.74869%0.687SS**  trans60.891.1157.2-163.50000117.3S122S120-S122 PolarHBondContact O-N 3.24Å
121D27.2Very low34.6Very low164 Ų164117.5 Ų117.588%0.87766%0.663SS**  trans-65.765.8160-85.5-36.7000111V123D121-V123 VanDerWaalsContact C-N 3.29Å; D121-V123 PolarHBondContact O-N 2.46Å
122S30.2Very low35.3Very low84 Ų84115 Ų11559%0.58764%0.641SS**  trans-77.594.6151.159.20000105.9S120 H124S120-S122 PolarHBondContact O-N 3.24Å; S122-H124 PolarHBondContact O-N 3.07Å
123V29.7Very low36.4Very low99 Ų99108 Ų10860%0.661%0.61SS**  trans-60.480.7172.5178.40000108.3D121 K125D121-V123 VanDerWaalsContact C-N 3.29Å; D121-V123 PolarHBondContact O-N 2.46Å; V123-K125 HydrophobicContact CG1-CB 4.2Å; V123-K125 HydrophobicContact CG1-CD 4.28Å; V123-K125 HydrophobicContact CG1-CG 3.66Å; V123-K125 PolarHBondContact O-N 2.91Å
124H29Very low37.2Very low175 Ų175103.2 Ų103.281%0.8158%0.582SS**  trans-66.985150.7-84.44.6000105.5S122 S126S122-H124 PolarHBondContact O-N 3.07Å; H124-S126 PolarHBondContact O-N 3.42Å
125K30.8Very low38.3Very low169 Ų169106.6 Ų106.674%0.73557%0.574SS**  trans-52.681.1163.3-106.1166.3-170.8-176.70106.9V123 T127V123-K125 HydrophobicContact CG1-CB 4.2Å; V123-K125 HydrophobicContact CG1-CD 4.28Å; V123-K125 HydrophobicContact CG1-CG 3.66Å; V123-K125 PolarHBondContact O-N 2.91Å; K125-T127 HydrophobicContact CB-CG2 4.13Å; K125-T127 HydrophobicContact CG-CG2 4.34Å; K125-T127 PolarHBondContact O-N 3.36Å
126S33.6Very low39.3Very low98 Ų98103.1 Ų103.169%0.68555%0.552SS**  trans-63.979.8153.9172.60000105.1H124 N128H124-S126 PolarHBondContact O-N 3.42Å; S126-N128 PolarHBondContact O-N 3.31Å
127T38.7Very low40.8Very low66 Ų6695.8 Ų95.841%0.40553%0.525SS..  trans-70.286.9168.748.40000105.4K125 S129K125-T127 HydrophobicContact CB-CG2 4.13Å; K125-T127 HydrophobicContact CG-CG2 4.34Å; K125-T127 PolarHBondContact O-N 3.36Å; T127-S129 PolarHBondContact O-N 3Å
128N48.2Very low42.7Very low72 Ų7294.2 Ų94.239%0.38552%0.516SS..  trans-57.197.4160.6-91.7-24.1000106P106 S126 L130 A131P106-N128 HydrophobicContact CG-CB 4.35Å; S126-N128 PolarHBondContact O-N 3.31Å; N128-L130 PolarHBondContact O-N 2.87Å; N128-A131 HydrophobicContact CB-CB 4.12Å; N128-A131 WeakPolarHBondContact O-CA 3.04Å; N128-A131 WeakPolarHBondContact O-CB 3.48Å; N128-A131 PolarHBondContact O-N 3.44Å
129S45.5Very low45.1Very low21 Ų2183.9 Ų83.915%0.14748%0.481CS..G310 helixtrans-60-27.3-175.655.30000112.3T127 A131 I132T127-S129 PolarHBondContact O-N 3Å; S129-A131 VanDerWaalsContact C-N 3.26Å; S129-A131 PolarHBondContact O-N 3.43Å; S129-I132 VanDerWaalsContact O-CD1 3.32Å; S129-I132 WeakPolarHBondContact O-CD1 3.49Å; S129-I132 VanDerWaalsContact O-CG1 3.26Å; S129-I132 WeakPolarHBondContact O-CG1 3.26Å
130L49.1Very low47.6Very low53 Ų5379.9 Ų79.928%0.27745%0.447SS..G310 helixtrans-77.5-5.4172.9-61.2172.9000113.9L105 N128 I132 F133L105-L130 HydrophobicContact CD2-CB 4.17Å; L105-L130 HydrophobicContact CD2-CD1 4.18Å; N128-L130 PolarHBondContact O-N 2.87Å; L130-I132 PolarHBondContact O-N 3.31Å; L130-I132 VanDerWaalsContact O-N 3.16Å; L130-F133 HydrophobicContact CB-CD2 4.37Å; L130-F133 HydrophobicContact CD2-CD2 4.14Å; L130-F133 HydrophobicContact CD2-CE2 3.73Å; L130-F133 WeakPolarHBondContact O-CD2 3.24Å; L130-F133 PolarHBondContact O-N 3.3Å; L130-F133 VanDerWaalsContact O-N 3.12Å
131A50.2Low50.2Low48 Ų4882 Ų8240%0.39744%0.439SS..G310 helixtrans-65.8-11.1171.700000112.6N128 S129 F133 G134N128-A131 HydrophobicContact CB-CB 4.12Å; N128-A131 WeakPolarHBondContact O-CA 3.04Å; N128-A131 WeakPolarHBondContact O-CB 3.48Å; N128-A131 PolarHBondContact O-N 3.44Å; S129-A131 VanDerWaalsContact C-N 3.26Å; S129-A131 PolarHBondContact O-N 3.43Å; A131-F133 PolarHBondContact O-N 2.91Å; A131-G134 WeakPolarHBondContact O-CA 3.32Å; A131-G134 PolarHBondContact O-N 2.88Å
132I52Low53.2Low50 Ų5077.2 Ų77.226%0.25641%0.413SS..G310 helixtrans-54.8-37.6168.4-63.8171.4000110.2S129 L130 G134 L220 I367S129-I132 VanDerWaalsContact O-CD1 3.32Å; S129-I132 WeakPolarHBondContact O-CD1 3.49Å; S129-I132 VanDerWaalsContact O-CG1 3.26Å; S129-I132 WeakPolarHBondContact O-CG1 3.26Å; L130-I132 PolarHBondContact O-N 3.31Å; L130-I132 VanDerWaalsContact O-N 3.16Å; I132-G134 PolarHBondContact O-N 3.41Å; I132-L220 HydrophobicContact CG2-CD1 3.34Å; I132-L220 HydrophobicContact CG2-CD2 4.01Å; I132-L220 HydrophobicContact CG2-CG 4.31Å; I132-L220 WeakPolarHBondContact O-CD2 3.44Å; I132-I367 HydrophobicContact CD1-CD1 4.41Å
133F53Low56.2Low47 Ų4773.2 Ų73.221%0.20639%0.385CS..G310 helixtrans-74.48174.4-56.4-65.6000114.1L130 A131 R135 N136 L140 I217 L218L130-F133 HydrophobicContact CB-CD2 4.37Å; L130-F133 HydrophobicContact CD2-CD2 4.14Å; L130-F133 HydrophobicContact CD2-CE2 3.73Å; L130-F133 WeakPolarHBondContact O-CD2 3.24Å; L130-F133 PolarHBondContact O-N 3.3Å; L130-F133 VanDerWaalsContact O-N 3.12Å; A131-F133 PolarHBondContact O-N 2.91Å; F133-R135 PolarHBondContact O-N 2.93Å; F133-N136 PolarHBondContact O-N 2.96Å; F133-L140 HydrophobicContact CB-CD1 4.03Å; F133-L140 HydrophobicContact CG-CD1 4.41Å; F133-I217 HydrophobicContact CD1-CG2 4.2Å; F133-L218 HydrophobicContact CE1-CD2 3.74Å; F133-L218 HydrophobicContact CZ-CD2 4.47Å
134G48.3Very low59.1Low30 Ų3068.8 Ų68.831%0.30936%0.359SS..THydrogen-bonded Turntrans-61.36-156.900000118.9A131 I132A131-G134 WeakPolarHBondContact O-CA 3.32Å; A131-G134 PolarHBondContact O-N 2.88Å; I132-G134 PolarHBondContact O-N 3.41Å
135R50.8Low62.1Low135 Ų13561.8 Ų61.851%0.50933%0.327SS..THydrogen-bonded Turntrans-127.1-25.5173.2-71.1-168.7-179.3169.48.5115.2F133 T137 D223 R296F133-R135 PolarHBondContact O-N 2.93Å; R135-T137 PolarHBondContact O-N 3.19Å; R135-D223 IonicContact CZ-OD2 3.09Å; R135-D223 VanDerWaalsContact CZ-OD2 3.29Å; R135-D223 IonicContact NH1-OD2 3.1Å; R135-D223 PolarHBondContact NH1-OD2 3.21Å; R135-D223 IonicContact NH2-OD1 2.94Å; R135-D223 IonicContact NH2-OD2 3.78Å; R135-D223 PolarHBondContact NH2-OD2 3.22Å; R135-R296 VanDerWaalsContact NH1-NH2 3.17Å
136N56Low65Low53 Ų5354 Ų5428%0.28329%0.293SS..  trans-99.134.2-178.8-152.90.3000113.4F133 N138 T139 L140 G216F133-N136 PolarHBondContact O-N 2.96Å; N136-N138 PolarHBondContact O-N 3.44Å; N136-T139 PolarHBondContact O-N 3.28Å; N136-T139 WeakPolarHBondContact OD1-CB 3.18Å; N136-T139 PolarHBondContact OD1-OG1 3.46Å; N136-L140 PolarHBondContact O-N 2.95Å; N136-G216 PolarHBondContact ND2-O 3.35Å
137T62.8Low67.8Low56 Ų5652 Ų5234%0.34428%0.277SS..Hα-helixtrans-68.3-21.9-176.356.40000113.5L105 R135 L140L105-T137 HydrophobicContact CD1-CG2 4.33Å; R135-T137 PolarHBondContact O-N 3.19Å; T137-L140 PolarHBondContact O-N 2.72Å
138N71.6Confident70.4Confident112 Ų11249.1 Ų49.160%0.59926%0.26SS*.Hα-helixtrans-68.5-42.7177.7-69.7-10.6000110.8N136 L140 R141N136-N138 PolarHBondContact O-N 3.44Å; N138-L140 VanDerWaalsContact C-N 3.31Å; N138-L140 PolarHBondContact O-N 2.97Å; N138-R141 WeakPolarHBondContact O-CB 3.33Å; N138-R141 PolarHBondContact O-N 2.81Å
139T79.8Confident72.6Confident34 Ų3446.1 Ų46.121%0.20924%0.243CC..Hα-helixtrans-67.5-32.4177.8-53.80000111.4N136 R141 N142 W171 H215 I217N136-T139 PolarHBondContact O-N 3.28Å; N136-T139 WeakPolarHBondContact OD1-CB 3.18Å; N136-T139 PolarHBondContact OD1-OG1 3.46Å; T139-R141 PolarHBondContact O-N 3.17Å; T139-N142 WeakPolarHBondContact O-CB 3.38Å; T139-N142 PolarHBondContact O-N 2.91Å; T139-N142 VanDerWaalsContact O-N 3.09Å; T139-W171 HydrophobicContact CG2-CH2 3.5Å; T139-W171 VanDerWaalsContact CG2-CH2 3.5Å; T139-W171 HydrophobicContact CG2-CZ3 4.1Å; T139-W171 WeakPolarHBondContact O-CZ3 3.48Å; T139-H215 HydrophobicContact CG2-CB 4.32Å; T139-I217 HydrophobicContact CG2-CD1 3.92Å; T139-I217 HydrophobicContact CG2-CG1 3.65Å
140L83.8Confident74.9Confident4 Ų449.2 Ų49.22%0.02126%0.258CS..Hα-helixtrans-60.1-25.9173.9-85.2168.5000113.9V101 L105 F133 N136 T137 N138 N142 V143 L212 I217V101-L140 HydrophobicContact CG1-CD2 4.25Å; L105-L140 HydrophobicContact CD1-CD1 3.95Å; F133-L140 HydrophobicContact CB-CD1 4.03Å; F133-L140 HydrophobicContact CG-CD1 4.41Å; N136-L140 PolarHBondContact O-N 2.95Å; T137-L140 PolarHBondContact O-N 2.72Å; N138-L140 VanDerWaalsContact C-N 3.31Å; N138-L140 PolarHBondContact O-N 2.97Å; L140-N142 PolarHBondContact O-N 2.79Å; L140-V143 PolarHBondContact O-N 2.81Å; L140-L212 HydrophobicContact CD2-CD2 3.46Å; L140-L212 VanDerWaalsContact CD2-CD2 3.46Å; L140-I217 HydrophobicContact CD1-CG2 4.17Å; L140-I217 HydrophobicContact CD2-CD1 4Å; L140-I217 HydrophobicContact CD2-CG2 3.81Å; L140-I217 HydrophobicContact CG-CD1 4.17Å; L140-I217 HydrophobicContact CG-CG2 3.75Å
141R84.8Confident77.1Confident152 Ų15248.2 Ų48.257%0.57426%0.255SS*.THydrogen-bonded Turntrans-65.8-22.9176.7-62.6-178.9177.8-174.2-0.1112.7H100 N138 T139 V143H100-R141 PolarHBondContact ND1-O 2.82Å; N138-R141 WeakPolarHBondContact O-CB 3.33Å; N138-R141 PolarHBondContact O-N 2.81Å; T139-R141 PolarHBondContact O-N 3.17Å; R141-V143 VanDerWaalsContact C-N 3.3Å
142N90.3Very high79.3Confident63 Ų6349.6 Ų49.634%0.33726%0.256SS..THydrogen-bonded Turntrans-84-8.6179.8-64.2-24.7000112.7T139 L140 W171 M172T139-N142 WeakPolarHBondContact O-CB 3.38Å; T139-N142 PolarHBondContact O-N 2.91Å; T139-N142 VanDerWaalsContact O-N 3.09Å; L140-N142 PolarHBondContact O-N 2.79Å; N142-W171 HydrophobicContact CB-CD2 4.06Å; N142-W171 HydrophobicContact CB-CE3 3.77Å; N142-W171 HydrophobicContact CB-CH2 3.35Å; N142-W171 HydrophobicContact CB-CZ2 3.67Å; N142-W171 HydrophobicContact CB-CZ3 3.42Å; N142-W171 VanDerWaalsContact CB-CZ3 3.42Å; N142-M172 HydrophobicContact CB-CG 3.97Å; N142-M172 PolarHBondContact O-N 2.87Å
143V91.4Very high81.3Confident0 Ų048 Ų480%025%0.249CC..EExtended strand (participates in β ladder)trans-92.4121.6174.4-168.30000108.6V101 L140 R141 W171 L208 H211 L212 I217V101-V143 HydrophobicContact CB-CB 4.27Å; V101-V143 HydrophobicContact CB-CG1 4.45Å; V101-V143 HydrophobicContact CG2-CB 4Å; V101-V143 HydrophobicContact CG2-CG1 3.7Å; V101-V143 WeakPolarHBondContact CG2-O 3.38Å; V101-V143 PolarHBondContact N-O 3.16Å; L140-V143 PolarHBondContact O-N 2.81Å; R141-V143 VanDerWaalsContact C-N 3.3Å; V143-W171 HydrophobicContact CG2-CE3 3.81Å; V143-W171 HydrophobicContact CG2-CZ3 3.73Å; V143-L208 HydrophobicContact CG1-CD1 3.69Å; V143-H211 HydrophobicContact CG1-CB 4.3Å; V143-L212 HydrophobicContact CG2-CD2 4.17Å; V143-I217 HydrophobicContact CG2-CD1 3.73Å
144V92Very high83.2Confident7 Ų751 Ų514%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-125.7138.9-174.8174.40000108.9K98 V99 A169 I170K98-V144 HydrophobicContact CB-CG1 3.57Å; K98-V144 HydrophobicContact CD-CG1 4.49Å; K98-V144 HydrophobicContact CG-CG1 4.03Å; V99-V144 CarbonylContact O-C 3.5Å; V99-V144 WeakPolarHBondContact O-CA 3.41Å; V144-A169 CarbonylContact O-C 3.56Å; V144-A169 WeakPolarHBondContact O-CA 3.38Å; V144-I170 HydrophobicContact CB-CD1 4.49Å; V144-I170 HydrophobicContact CB-CG1 3.87Å; V144-I170 HydrophobicContact CG1-CD1 4.37Å; V144-I170 HydrophobicContact CG1-CG1 4.22Å; V144-I170 PolarHBondContact N-O 3.33Å; V144-I170 PolarHBondContact O-N 2.88Å
145I91.2Very high85.3Confident27 Ų2755 Ų5514%0.13828%0.28CS..EExtended strand (participates in β ladder)trans-93121167.5-54.1-57.8000108.2K98 V99 V101 T147 N168 A169 L208K98-I145 WeakPolarHBondContact CA-O 3.35Å; V99-I145 PolarHBondContact N-O 3.06Å; V99-I145 PolarHBondContact O-N 2.89Å; V101-I145 HydrophobicContact CG2-CD1 4.1Å; V101-I145 HydrophobicContact CG2-CG1 4.03Å; I145-T147 HydrophobicContact CG2-CG2 4Å; I145-N168 WeakPolarHBondContact CA-O 3.36Å; I145-A169 HydrophobicContact CD1-CB 3.78Å; I145-L208 HydrophobicContact CD1-CD1 4.41Å
146D92.4Very high87Confident6 Ų652.2 Ų52.23%0.03228%0.278CS..EExtended strand (participates in β ladder)trans-90.5108.3175.9-173.2-6.3000110T97 S148 R166 G167 N168 I170T97-D146 CarbonylContact O-C 3.56Å; T97-D146 WeakPolarHBondContact O-CA 3.46Å; D146-S148 WeakPolarHBondContact OD1-CB 3.47Å; D146-S148 PolarHBondContact OD1-N 2.79Å; D146-S148 PolarHBondContact OD1-OG 2.95Å; D146-S148 PolarHBondContact OD2-OG 2.77Å; D146-R166 WeakPolarHBondContact OD2-CD 3.47Å; D146-R166 IonicContact OD2-CZ 3.95Å; D146-R166 IonicContact OD2-NE 2.74Å; D146-R166 IonicContact OD2-NH1 3.8Å; D146-R166 PolarHBondContact OD2-NH1 2.84Å; D146-G167 WeakPolarHBondContact O-CA 3.34Å; D146-G167 PolarHBondContact O-N 3.41Å; D146-N168 PolarHBondContact N-O 2.89Å; D146-N168 PolarHBondContact O-N 2.93Å; D146-I170 HydrophobicContact CB-CD1 4.09Å
147T91.8Very high88.5Confident57 Ų5754 Ų5435%0.3529%0.287SS..  trans-107.623.1176.7640000111.7T97 I145T97-T147 PolarHBondContact O-N 2.88Å; T97-T147 PolarHBondContact O-OG1 3.01Å; I145-T147 HydrophobicContact CG2-CG2 4Å
148S93.7Very high89.4Confident5 Ų556.9 Ų56.94%0.03532%0.317CS..  trans-57.6147.4173.151.60000112.5D146 V165 R166D146-S148 WeakPolarHBondContact OD1-CB 3.47Å; D146-S148 PolarHBondContact OD1-N 2.79Å; D146-S148 PolarHBondContact OD1-OG 2.95Å; D146-S148 PolarHBondContact OD2-OG 2.77Å; S148-V165 WeakPolarHBondContact O-CA 3.32Å; S148-R166 PolarHBondContact O-N 3.08Å; S148-R166 PolarHBondContact OG-NH1 2.76Å
149L95.2Very high90Very high9 Ų955.2 Ų55.25%0.04733%0.326CS..BIsolated β-bridgetrans-65.9136.8173.3-66.7174.8000110.5K26 G30 M32 P153 F163 D164 V165K26-L149 HydrophobicContact CB-CB 4.18Å; K26-L149 HydrophobicContact CB-CD1 4.27Å; K26-L149 HydrophobicContact CD-CB 4.03Å; K26-L149 VanDerWaalsContact CD-O 3.23Å; K26-L149 WeakPolarHBondContact CD-O 3.26Å; K26-L149 WeakPolarHBondContact CE-O 3.31Å; K26-L149 HydrophobicContact CG-CB 4.01Å; K26-L149 PolarHBondContact NZ-O 3.44Å; G30-L149 PolarHBondContact O-N 2.81Å; M32-L149 HydrophobicContact CB-CD1 3.91Å; M32-L149 HydrophobicContact CE-CD1 4.42Å; M32-L149 HydrophobicContact CG-CD1 4.22Å; L149-P153 HydrophobicContact CD1-CG 4.36Å; L149-F163 HydrophobicContact CD2-CB 4.3Å; L149-F163 HydrophobicContact CD2-CD1 4.19Å; L149-D164 WeakPolarHBondContact CA-O 3.3Å; L149-V165 HydrophobicContact CD2-CG1 4.1Å
150L93.1Very high90.3Very high86 Ų8657.3 Ų57.345%0.4534%0.335SS..SBendtrans-84.7-36.8172.8-65.2177.8000111.1K26 D164 R166K26-L150 VanDerWaalsContact NZ-C 3.33Å; K26-L150 PolarHBondContact NZ-O 2.8Å; L150-D164 HydrophobicContact CB-CB 4.16Å; L150-D164 PolarHBondContact N-O 2.85Å; L150-R166 HydrophobicContact CD2-CB 3.8Å; L150-R166 HydrophobicContact CD2-CG 4.2Å; L150-R166 HydrophobicContact CG-CB 4.33Å
151S94.9Very high90.7Very high32 Ų3260.7 Ų60.722%0.22435%0.353CS..SBendtrans-141.4175.3176.165.60000111.3D164S151-D164 PolarHBondContact OG-OD2 2.71Å
152D95.8Very high91Very high76 Ų7657.5 Ų57.541%0.40635%0.345SS..  trans-57.1141.8166.1-67-13.7000110.1T25 K26T25-D152 WeakPolarHBondContact CA-OD1 3.45Å; K26-D152 WeakPolarHBondContact CB-OD1 3.18Å; K26-D152 PolarHBondContact N-OD1 2.99Å
153P95.4Very high91.2Very high17 Ų1758.4 Ų58.411%0.1135%0.346CS..  trans-58.8145.3171.2-23.935.5000111.5L24 L149 L161 Q162 F163L24-P153 HydrophobicContact CB-CB 4.26Å; L24-P153 HydrophobicContact CB-CG 3.91Å; L24-P153 HydrophobicContact CD1-CB 4.48Å; L149-P153 HydrophobicContact CD1-CG 4.36Å; P153-L161 HydrophobicContact CB-CD1 4.05Å; P153-Q162 VanDerWaalsContact CA-O 3.31Å; P153-Q162 WeakPolarHBondContact CA-O 3.28Å; P153-F163 HydrophobicContact CB-CD1 3.73Å; P153-F163 HydrophobicContact CB-CE1 3.65Å; P153-F163 HydrophobicContact CB-CZ 4.49Å; P153-F163 HydrophobicContact CG-CD1 3.59Å; P153-F163 HydrophobicContact CG-CE1 3.59Å
154K93Very high91.2Very high110 Ų11060.8 Ų60.848%0.47836%0.358SS..EExtended strand (participates in β ladder)trans-121.5132.9-175.5-64.8171-171.7156.80110.7V156 Q162 D164K154-V156 PolarHBondContact O-N 3.48Å; K154-Q162 PolarHBondContact N-O 2.83Å; K154-Q162 PolarHBondContact O-N 2.83Å; K154-D164 IonicContact NZ-OD2 3.9Å
155V91.3Very high91.3Very high113 Ų11364.1 Ų64.169%0.68538%0.379SS*.EExtended strand (participates in β ladder)trans-80110.1166.5-1790000107.2N157 L161V155-N157 WeakPolarHBondContact CG1-O 3.26Å; V155-L161 HydrophobicContact CG2-CD1 4.1Å
156V87.7Confident91.2Very high78 Ų7868.5 Ų68.547%0.47339%0.393SS..EExtended strand (participates in β ladder)trans-79.8-40.1179.5179.20000110.1K154 L160 Q162K154-V156 PolarHBondContact O-N 3.48Å; V156-L160 HydrophobicContact CB-CB 4.24Å; V156-L160 HydrophobicContact CB-CD2 3.85Å; V156-L160 HydrophobicContact CB-CG 4.12Å; V156-L160 HydrophobicContact CG1-CD2 4.02Å; V156-L160 HydrophobicContact CG2-CD2 4.11Å; V156-L160 HydrophobicContact CG2-CG 4.31Å; V156-L160 PolarHBondContact N-O 2.84Å; V156-Q162 HydrophobicContact CG2-CB 3.79Å
157N86.5Confident91Very high90 Ų9069 Ų6948%0.48140%0.401SS..EExtended strand (participates in β ladder)trans-156.7-179.5172.261.846.2000109.2V155 G159 L160V155-N157 WeakPolarHBondContact CG1-O 3.26Å; N157-G159 PolarHBondContact O-N 3.49Å; N157-G159 PolarHBondContact OD1-N 2.91Å; N157-L160 PolarHBondContact O-N 3.33Å; N157-L160 VanDerWaalsContact O-N 3.12Å; N157-L160 WeakPolarHBondContact OD1-CB 3.5Å; N157-L160 PolarHBondContact OD1-N 2.82Å; N157-L160 VanDerWaalsContact OD1-N 3.09Å
158A81.6Confident90.9Very high117 Ų11767.5 Ų67.597%0.96739%0.39SS*.THydrogen-bonded Turntrans-55.1-22.8-175.300000115.2
159G83.5Confident90.8Very high76 Ų7667.2 Ų67.278%0.78439%0.389SS*.THydrogen-bonded Turntrans-112.5-1.9-17900000115.1N157N157-G159 PolarHBondContact O-N 3.49Å; N157-G159 PolarHBondContact OD1-N 2.91Å
160L87.2Confident90.7Very high78 Ų7867.2 Ų67.241%0.40839%0.388SS..EExtended strand (participates in β ladder)trans-128.5114.8-170.4-174.965.2000112.2V156 N157V156-L160 HydrophobicContact CB-CB 4.24Å; V156-L160 HydrophobicContact CB-CD2 3.85Å; V156-L160 HydrophobicContact CB-CG 4.12Å; V156-L160 HydrophobicContact CG1-CD2 4.02Å; V156-L160 HydrophobicContact CG2-CD2 4.11Å; V156-L160 HydrophobicContact CG2-CG 4.31Å; V156-L160 PolarHBondContact N-O 2.84Å; N157-L160 PolarHBondContact O-N 3.33Å; N157-L160 VanDerWaalsContact O-N 3.12Å; N157-L160 WeakPolarHBondContact OD1-CB 3.5Å; N157-L160 PolarHBondContact OD1-N 2.82Å; N157-L160 VanDerWaalsContact OD1-N 3.09Å
161L91.2Very high90.5Very high75 Ų7564.1 Ų64.139%0.39337%0.371SS..EExtended strand (participates in β ladder)trans-105.8120170.6-177.663.2000109.5L24 P153 V155 F163L24-L161 HydrophobicContact CD1-CD2 3.87Å; P153-L161 HydrophobicContact CB-CD1 4.05Å; V155-L161 HydrophobicContact CG2-CD1 4.1Å; L161-F163 HydrophobicContact CB-CE2 4.33Å; L161-F163 HydrophobicContact CD2-CE1 4.21Å; L161-F163 HydrophobicContact CD2-CE2 3.76Å; L161-F163 HydrophobicContact CD2-CZ 3.31Å; L161-F163 HydrophobicContact CG-CE1 4.38Å; L161-F163 HydrophobicContact CG-CE2 3.66Å; L161-F163 HydrophobicContact CG-CZ 3.6Å
162Q92.6Very high90.1Very high85 Ų8568.2 Ų68.240%0.39739%0.388SS..EExtended strand (participates in β ladder)trans-102.9138.1-178-178.8178-37.700111.5P153 K154 V156 D164P153-Q162 VanDerWaalsContact CA-O 3.31Å; P153-Q162 WeakPolarHBondContact CA-O 3.28Å; K154-Q162 PolarHBondContact N-O 2.83Å; K154-Q162 PolarHBondContact O-N 2.83Å; V156-Q162 HydrophobicContact CG2-CB 3.79Å; Q162-D164 PolarHBondContact NE2-OD1 2.88Å
163F93.4Very high89.3Confident82 Ų8265.7 Ų65.736%0.3638%0.38SS..  trans-123.2118.6175.8-57.4-91.2000110L24 M32 L149 P153 L161 V165L24-F163 HydrophobicContact CD1-CE1 4.43Å; M32-F163 HydrophobicContact CE-CD1 3.6Å; M32-F163 HydrophobicContact CE-CE1 3.2Å; M32-F163 HydrophobicContact CE-CZ 4.14Å; M32-F163 HydrophobicContact SD-CE1 4.03Å; L149-F163 HydrophobicContact CD2-CB 4.3Å; L149-F163 HydrophobicContact CD2-CD1 4.19Å; P153-F163 HydrophobicContact CB-CD1 3.73Å; P153-F163 HydrophobicContact CB-CE1 3.65Å; P153-F163 HydrophobicContact CB-CZ 4.49Å; P153-F163 HydrophobicContact CG-CD1 3.59Å; P153-F163 HydrophobicContact CG-CE1 3.59Å; L161-F163 HydrophobicContact CB-CE2 4.33Å; L161-F163 HydrophobicContact CD2-CE1 4.21Å; L161-F163 HydrophobicContact CD2-CE2 3.76Å; L161-F163 HydrophobicContact CD2-CZ 3.31Å; L161-F163 HydrophobicContact CG-CE1 4.38Å; L161-F163 HydrophobicContact CG-CE2 3.66Å; L161-F163 HydrophobicContact CG-CZ 3.6Å; F163-V165 HydrophobicContact CB-CG1 4.49Å
164D92.5Very high88.7Confident50 Ų5075.1 Ų75.127%0.26741%0.413SS..  trans-90109.8173.4-62.1-24000108.2L149 L150 S151 K154 Q162L149-D164 WeakPolarHBondContact CA-O 3.3Å; L150-D164 HydrophobicContact CB-CB 4.16Å; L150-D164 PolarHBondContact N-O 2.85Å; S151-D164 PolarHBondContact OG-OD2 2.71Å; K154-D164 IonicContact NZ-OD2 3.9Å; Q162-D164 PolarHBondContact NE2-OD1 2.88Å
165V92.4Very high88.2Confident77 Ų7773.9 Ų73.947%0.46741%0.412SS..BIsolated β-bridgetrans-112.6147.4-177.4-65.70000111.4S148 L149 F163S148-V165 WeakPolarHBondContact O-CA 3.32Å; L149-V165 HydrophobicContact CD2-CG1 4.1Å; F163-V165 HydrophobicContact CB-CG1 4.49Å
166R90.6Very high87.9Confident119 Ų11972.5 Ų72.545%0.44941%0.405SS..  trans-66.3-44-175.3-174.7176-74.2156.4-3.3113.8D146 S148 L150 N168D146-R166 WeakPolarHBondContact OD2-CD 3.47Å; D146-R166 IonicContact OD2-CZ 3.95Å; D146-R166 IonicContact OD2-NE 2.74Å; D146-R166 IonicContact OD2-NH1 3.8Å; D146-R166 PolarHBondContact OD2-NH1 2.84Å; S148-R166 PolarHBondContact O-N 3.08Å; S148-R166 PolarHBondContact OG-NH1 2.76Å; L150-R166 HydrophobicContact CD2-CB 3.8Å; L150-R166 HydrophobicContact CD2-CG 4.2Å; L150-R166 HydrophobicContact CG-CB 4.33Å; R166-N168 HydrophobicContact CG-CB 4.16Å; R166-N168 PolarHBondContact O-N 2.72Å
167G88.6Confident88Confident18 Ų1869 Ų6919%0.18639%0.385CS..  trans57.641.4176.800000114.9D146 V204D146-G167 WeakPolarHBondContact O-CA 3.34Å; D146-G167 PolarHBondContact O-N 3.41Å; G167-V204 WeakPolarHBondContact O-CG2 3.4Å
168N89.2Confident88.1Confident24 Ų2469 Ų6913%0.12839%0.39CS..EExtended strand (participates in β ladder)trans-113.1145.4-178.8-162.53.4000112.2I145 D146 R166 P176 A207I145-N168 WeakPolarHBondContact CA-O 3.36Å; D146-N168 PolarHBondContact N-O 2.89Å; D146-N168 PolarHBondContact O-N 2.93Å; R166-N168 HydrophobicContact CG-CB 4.16Å; R166-N168 PolarHBondContact O-N 2.72Å; N168-P176 VanDerWaalsContact ND2-CB 3.35Å; N168-P176 WeakPolarHBondContact ND2-CB 3.32Å; N168-A207 VanDerWaalsContact OD1-CB 3.26Å; N168-A207 WeakPolarHBondContact OD1-CB 3.24Å
169A91.4Very high88.3Confident0 Ų066.7 Ų66.70%036%0.358CS..EExtended strand (participates in β ladder)trans-83.6133.5166.700000109.7V144 I145 A207 L208 H211V144-A169 CarbonylContact O-C 3.56Å; V144-A169 WeakPolarHBondContact O-CA 3.38Å; I145-A169 HydrophobicContact CD1-CB 3.78Å; A169-A207 HydrophobicContact CB-CB 4.03Å; A169-L208 HydrophobicContact CB-CB 4.05Å; A169-L208 HydrophobicContact CB-CD1 4.5Å; A169-H211 PolarHBondContact O-CD2 3.47Å; A169-H211 PolarHBondContact O-NE2 3.01Å
170I92Very high88.4Confident8 Ų872.7 Ų72.74%0.04136%0.358CS..EExtended strand (participates in β ladder)trans-129.8145.3-179.964.5-176.7000110.8K98 V144 D146 N175 P176K98-I170 HydrophobicContact CD-CD1 4.38Å; V144-I170 HydrophobicContact CB-CD1 4.49Å; V144-I170 HydrophobicContact CB-CG1 3.87Å; V144-I170 HydrophobicContact CG1-CD1 4.37Å; V144-I170 HydrophobicContact CG1-CG1 4.22Å; V144-I170 PolarHBondContact N-O 3.33Å; V144-I170 PolarHBondContact O-N 2.88Å; D146-I170 HydrophobicContact CB-CD1 4.09Å; I170-N175 WeakPolarHBondContact CA-O 3.42Å; I170-P176 HydrophobicContact CG2-CB 4.42Å
171W90.2Very high88.4Confident22 Ų2272.6 Ų72.68%0.08336%0.362CS..EExtended strand (participates in β ladder)trans-93.9129.2172.4-179.5-101.7000111.7T139 N142 V143 G173 R174 N175 H215 I217T139-W171 HydrophobicContact CG2-CH2 3.5Å; T139-W171 VanDerWaalsContact CG2-CH2 3.5Å; T139-W171 HydrophobicContact CG2-CZ3 4.1Å; T139-W171 WeakPolarHBondContact O-CZ3 3.48Å; N142-W171 HydrophobicContact CB-CD2 4.06Å; N142-W171 HydrophobicContact CB-CE3 3.77Å; N142-W171 HydrophobicContact CB-CH2 3.35Å; N142-W171 HydrophobicContact CB-CZ2 3.67Å; N142-W171 HydrophobicContact CB-CZ3 3.42Å; N142-W171 VanDerWaalsContact CB-CZ3 3.42Å; V143-W171 HydrophobicContact CG2-CE3 3.81Å; V143-W171 HydrophobicContact CG2-CZ3 3.73Å; W171-G173 PolarHBondContact O-N 2.7Å; W171-R174 PolarHBondContact O-N 2.81Å; W171-N175 HydrophobicContact CB-CB 4.32Å; W171-N175 PolarHBondContact N-O 2.94Å; W171-N175 VanDerWaalsContact N-O 3.16Å; W171-N175 PolarHBondContact O-N 3.1Å; W171-H215 AromaticContact CD1-CE1 3.6Å; W171-H215 AromaticContact CD1-NE2 3.68Å; W171-H215 AromaticContact CD2-CD2 3.36Å; W171-H215 AromaticContact CD2-CE1 3.57Å; W171-H215 AromaticContact CD2-CG 3.72Å; W171-H215 AromaticContact CD2-ND1 3.83Å; W171-H215 AromaticContact CD2-NE2 3.29Å; W171-H215 VanDerWaalsContact CD2-NE2 3.29Å; W171-H215 AromaticContact CE2-CD2 3.91Å; W171-H215 AromaticContact CE2-CE1 3.52Å; W171-H215 AromaticContact CE2-CG 3.79Å; W171-H215 AromaticContact CE2-ND1 3.55Å; W171-H215 AromaticContact CE2-NE2 3.78Å; W171-H215 HydrophobicContact CE3-CB 4.21Å; W171-H215 AromaticContact CE3-CD2 3.26Å; W171-H215 AromaticContact CE3-CG 3.64Å; W171-H215 AromaticContact CE3-NE2 3.73Å; W171-H215 AromaticContact CG-CD2 3.82Å; W171-H215 AromaticContact CG-CE1 3.63Å; W171-H215 AromaticContact CG-NE2 3.25Å; W171-H215 HydrophobicContact CH2-CB 3.77Å; W171-H215 AromaticContact CH2-CG 3.77Å; W171-H215 HydrophobicContact CZ2-CB 4.26Å; W171-H215 AromaticContact CZ2-CG 3.85Å; W171-H215 AromaticContact CZ2-ND1 3.74Å; W171-H215 HydrophobicContact CZ3-CB 3.73Å; W171-H215 AromaticContact CZ3-CD2 3.74Å; W171-H215 AromaticContact CZ3-CG 3.65Å; W171-H215 AromaticContact NE1-CE1 3.5Å; W171-H215 PolarHBondContact NE1-CE1 3.42Å; W171-H215 AromaticContact NE1-ND1 3.89Å; W171-H215 AromaticContact NE1-NE2 3.94Å; W171-I217 HydrophobicContact CZ3-CD1 4.36Å
172M85.3Confident88.1Confident117 Ų11770.9 Ų70.958%0.57636%0.355SS*.THydrogen-bonded Turntrans47.430.6-178.6-62.9-170.6-63.400113.4N142 R174N142-M172 HydrophobicContact CB-CG 3.97Å; N142-M172 PolarHBondContact O-N 2.87Å; M172-R174 VanDerWaalsContact C-N 3.3Å; M172-R174 PolarHBondContact O-N 3.11Å
173G79.7Confident87.7Confident24 Ų2472.7 Ų72.725%0.24737%0.374CS..THydrogen-bonded Turntrans75.83.9177.900000116.7W171W171-G173 PolarHBondContact O-N 2.7Å
174R82Confident87.3Confident215 Ų21571.5 Ų71.581%0.81137%0.372SS*.THydrogen-bonded Turntrans-130.6-32.7-170.4-65-175-177.6-175.30.5116.1W171 M172 P176W171-R174 PolarHBondContact O-N 2.81Å; M172-R174 VanDerWaalsContact C-N 3.3Å; M172-R174 PolarHBondContact O-N 3.11Å; R174-P176 WeakPolarHBondContact O-CD 3.47Å
175N83.8Confident86.7Confident83 Ų8379.6 Ų79.644%0.44440%0.398SS..EExtended strand (participates in β ladder)trans-102.5100.4-172.6-61.5-23.3000110I170 W171 H211I170-N175 WeakPolarHBondContact CA-O 3.42Å; W171-N175 HydrophobicContact CB-CB 4.32Å; W171-N175 PolarHBondContact N-O 2.94Å; W171-N175 VanDerWaalsContact N-O 3.16Å; W171-N175 PolarHBondContact O-N 3.1Å; N175-H211 PolarHBondContact O-CE1 2.84Å; N175-H211 PolarHBondContact O-NE2 2.97Å; N175-H211 VanDerWaalsContact O-NE2 3.13Å
176P85Confident85.8Confident84 Ų8479.9 Ų79.955%0.54540%0.402SS..EExtended strand (participates in β ladder)trans-69.6147.6170.630.3-34.4000110.6N168 I170 R174N168-P176 VanDerWaalsContact ND2-CB 3.35Å; N168-P176 WeakPolarHBondContact ND2-CB 3.32Å; I170-P176 HydrophobicContact CG2-CB 4.42Å; R174-P176 WeakPolarHBondContact O-CD 3.47Å
177A88.7Confident84.8Confident5 Ų578.7 Ų78.74%0.04140%0.403CS..  trans-69.7152.4167.800000110.5F179 A207 H210 H211A177-F179 HydrophobicContact CB-CD2 3.63Å; A177-F179 HydrophobicContact CB-CE2 4.03Å; A177-F179 PolarHBondContact O-N 2.96Å; A177-A207 HydrophobicContact CB-CB 3.61Å; A177-H210 HydrophobicContact CB-CB 4.37Å; A177-H211 PolarHBondContact N-NE2 2.68Å
178P88.6Confident83.2Confident90 Ų9083.2 Ų83.258%0.58443%0.432SS*.SBendtrans-7943.1-176.435.5-38.2000112.7
179F87.3Confident81.8Confident68 Ų6892.8 Ų92.830%0.29847%0.466SS..  trans-116.6133.5177.3-57.3-87000109.6A177 N206 A207 H210A177-F179 HydrophobicContact CB-CD2 3.63Å; A177-F179 HydrophobicContact CB-CE2 4.03Å; A177-F179 PolarHBondContact O-N 2.96Å; F179-N206 HydrophobicContact CD1-CB 3.98Å; F179-N206 HydrophobicContact CE1-CB 3.91Å; F179-N206 HydrophobicContact CE2-CB 4.47Å; F179-N206 HydrophobicContact CG-CB 4.28Å; F179-N206 HydrophobicContact CZ-CB 4.16Å; F179-A207 HydrophobicContact CD2-CB 4.09Å; F179-H210 HydrophobicContact CE2-CB 3.62Å; F179-H210 AromaticContact CE2-CG 3.94Å; F179-H210 HydrophobicContact CZ-CB 4.28Å
180Y85.8Confident80.4Confident203 Ų20395.4 Ų95.480%0.79648%0.483SS*.  trans-115.9136175.4-61.8-82.4000109
181P85.4Confident79.1Confident75 Ų7597 Ų9749%0.48750%0.495SS..PPolyproline II helixtrans-64.9132.1178.826.9-33.3000109.7S203P181-S203 WeakPolarHBondContact CA-OG 3.38Å
182P85Confident78.2Confident39 Ų39103.9 Ų103.925%0.25353%0.534SS..PPolyproline II helixtrans-65.8158.7166.929.5-33.1000109.9I184 K392P182-I184 PolarHBondContact O-N 2.9Å; P182-I184 VanDerWaalsContact O-N 3.14Å; P182-K392 HydrophobicContact CB-CD 4.15Å; P182-K392 HydrophobicContact CG-CB 3.65Å; P182-K392 HydrophobicContact CG-CD 3.85Å; P182-K392 HydrophobicContact CG-CG 4.41Å
183P84.3Confident78Confident123 Ų123103.6 Ų103.680%0.79953%0.534SS*.PPolyproline II helixtrans-56.3120.8170.9-22.633.1000110.2
184I85Confident78.3Confident58 Ų58103.7 Ų103.730%0.29753%0.531SS..PPolyproline II helixtrans-83.4125.7175.5-54.8-179.5000107.1P182 P186 Y199 L390 A393P182-I184 PolarHBondContact O-N 2.9Å; P182-I184 VanDerWaalsContact O-N 3.14Å; I184-P186 WeakPolarHBondContact O-CD 3.47Å; I184-Y199 HydrophobicContact CG2-CD1 3.72Å; I184-Y199 HydrophobicContact CG2-CE1 4.38Å; I184-Y199 HydrophobicContact CG2-CG 4.11Å; I184-L390 HydrophobicContact CG2-CD1 4.18Å; I184-A393 HydrophobicContact CD1-CB 4.2Å; I184-A393 HydrophobicContact CG1-CB 4.24Å; I184-A393 HydrophobicContact CG2-CB 4.18Å
185R80.2Confident78.7Confident219 Ų21998.9 Ų98.983%0.82652%0.519SS*.  trans-96107.4172-64.2-177.8-176.3-177.31.2107.8I187R185-I187 PolarHBondContact O-N 3.41Å
186P73.8Confident79.1Confident84 Ų8498 Ų9855%0.54551%0.514SS..PPolyproline II helixtrans-55.4137.8173.5-23.734.5000110I184I184-P186 WeakPolarHBondContact O-CD 3.47Å
187I69Low79.4Confident94 Ų9496 Ų9648%0.48250%0.5SS..PPolyproline II helixtrans-67142.3163.5-64.5176.3000107.2R185 R189 L390R185-I187 PolarHBondContact O-N 3.41Å; I187-R189 PolarHBondContact O-N 2.77Å; I187-L390 HydrophobicContact CD1-CD2 3.21Å; I187-L390 HydrophobicContact CG1-CD2 3.49Å; I187-L390 VanDerWaalsContact CG1-CD2 3.49Å
188S56.1Low79.6Confident112 Ų11299 Ų9978%0.78352%0.515SS*.SBendtrans-63.1121.1178.8-66.90000110.8
189R58.7Low79.9Confident226 Ų22698.2 Ų98.285%0.85350%0.501SS*.  trans72.997.2172.1-57.9-174.1-174.1-1762.1114.9I187I187-R189 PolarHBondContact O-N 2.77Å
190P62Low80.2Confident54 Ų5497.9 Ų97.935%0.35150%0.502SS..  trans-46.4145.4152.720.6-32.7000109.4V197P190-V197 HydrophobicContact CB-CG2 3.95Å
191S65.7Low80.6Confident41 Ų4188.7 Ų88.729%0.28747%0.467SS..  trans-57.1150.9177.972.90000109.9D193 S194 R386S191-D193 PolarHBondContact O-N 3.12Å; S191-S194 PolarHBondContact N-OG 3.22Å; S191-S194 VanDerWaalsContact O-CB 3.25Å; S191-S194 WeakPolarHBondContact O-CB 3.13Å; S191-S194 PolarHBondContact O-N 3.39Å; S191-S194 PolarHBondContact O-OG 3.49Å; S191-S194 PolarHBondContact OG-OG 3Å; S191-R386 VanDerWaalsContact CB-NH2 3.32Å; S191-R386 PolarHBondContact OG-NH2 2.87Å
192N69.9Low81.1Confident168 Ų16886.8 Ų86.890%0.89845%0.452SS*.THydrogen-bonded Turntrans-57.7-17.4-178.9-75-5.2000113.4
193D81.8Confident81.5Confident111 Ų11185.5 Ų85.559%0.59444%0.444SS*.THydrogen-bonded Turntrans-96.7-5-179.6-59.7-22.8000113.8S191 M195S191-D193 PolarHBondContact O-N 3.12Å; D193-M195 PolarHBondContact O-N 3.29Å
194S85.4Confident82Confident25 Ų2580.9 Ų80.918%0.17541%0.413CS..  trans-69.5118.4-177.6-63.40000110.8S191 D397S191-S194 PolarHBondContact N-OG 3.22Å; S191-S194 VanDerWaalsContact O-CB 3.25Å; S191-S194 WeakPolarHBondContact O-CB 3.13Å; S191-S194 PolarHBondContact O-N 3.39Å; S191-S194 PolarHBondContact O-OG 3.49Å; S191-S194 PolarHBondContact OG-OG 3Å; S194-D397 WeakPolarHBondContact CB-OD1 3.33Å; S194-D397 PolarHBondContact OG-OD1 2.92Å; S194-D397 PolarHBondContact OG-OD2 2.91Å
195M91.1Very high82.5Confident114 Ų11479.9 Ų79.956%0.56241%0.41SS*.  trans-99.7-25.3-179.1-66.7-177.3176.900113.1D193 F398 L400 F402D193-M195 PolarHBondContact O-N 3.29Å; M195-F398 PolarHBondContact N-O 2.87Å; M195-L400 HydrophobicContact CB-CB 4.4Å; M195-L400 HydrophobicContact CB-CD1 4.46Å; M195-L400 HydrophobicContact CB-CG 4.16Å; M195-L400 HydrophobicContact SD-CB 3.99Å; M195-L400 VanDerWaalsContact SD-O 3.41Å; M195-F402 HydrophobicContact SD-CE2 4.2Å
196L91.8Very high83.2Confident64 Ų6469.8 Ų69.834%0.33537%0.373SS..EExtended strand (participates in β ladder)trans-145.1123.8178.3172.865.2000109.6I198 F398 L400L196-I198 HydrophobicContact CD1-CG1 4.15Å; L196-I198 HydrophobicContact CD2-CD1 4.07Å; L196-I198 HydrophobicContact CD2-CG1 4.47Å; L196-I198 HydrophobicContact CG-CD1 4.27Å; L196-I198 HydrophobicContact CG-CG1 4.12Å; L196-F398 HydrophobicContact CB-CB 4.28Å; L196-F398 HydrophobicContact CD2-CD2 4.29Å; L196-F398 HydrophobicContact CG-CD2 4.32Å; L196-F398 PolarHBondContact N-O 2.85Å; L196-F398 VanDerWaalsContact N-O 3.15Å; L196-F398 PolarHBondContact O-N 2.82Å; L196-L400 HydrophobicContact CB-CD1 4.09Å; L196-L400 HydrophobicContact CB-CG 4.47Å; L196-L400 HydrophobicContact CD2-CD1 4.45Å
197V92.3Very high84.2Confident43 Ų4365.8 Ų65.826%0.26135%0.347SS..EExtended strand (participates in β ladder)trans-117.6125.1176-174.70000109P190 Y199 E395 F396P190-V197 HydrophobicContact CB-CG2 3.95Å; V197-Y199 HydrophobicContact CG1-CD2 4.32Å; V197-Y199 HydrophobicContact CG1-CE1 4.48Å; V197-Y199 HydrophobicContact CG1-CE2 3.63Å; V197-E395 HydrophobicContact CG1-CG 3.75Å; V197-F396 CarbonylContact C-O 3.55Å; V197-F396 VanDerWaalsContact CA-O 3.3Å; V197-F396 WeakPolarHBondContact CA-O 3.16Å
198I93Very high85.4Confident69 Ų6963.4 Ų63.435%0.35434%0.335SS..EExtended strand (participates in β ladder)trans-120.3125.5179.4-62.7174.1000108.8L196 I200 F396 F398L196-I198 HydrophobicContact CD1-CG1 4.15Å; L196-I198 HydrophobicContact CD2-CD1 4.07Å; L196-I198 HydrophobicContact CD2-CG1 4.47Å; L196-I198 HydrophobicContact CG-CD1 4.27Å; L196-I198 HydrophobicContact CG-CG1 4.12Å; I198-I200 HydrophobicContact CG2-CD1 4.46Å; I198-I200 HydrophobicContact CG2-CG1 3.95Å; I198-F396 HydrophobicContact CB-CB 4.38Å; I198-F396 PolarHBondContact N-O 3.22Å; I198-F396 PolarHBondContact O-N 3.35Å; I198-F398 HydrophobicContact CD1-CD2 4.47Å; I198-F398 HydrophobicContact CD1-CE2 4.04Å
199Y93.4Very high87.3Confident72 Ų7259.6 Ų59.628%0.28231%0.306SS..EExtended strand (participates in β ladder)trans-100.6128.2170.6-59.4-88.4000109.8I184 V197 L390 I394 E395I184-Y199 HydrophobicContact CG2-CD1 3.72Å; I184-Y199 HydrophobicContact CG2-CE1 4.38Å; I184-Y199 HydrophobicContact CG2-CG 4.11Å; V197-Y199 HydrophobicContact CG1-CD2 4.32Å; V197-Y199 HydrophobicContact CG1-CE1 4.48Å; V197-Y199 HydrophobicContact CG1-CE2 3.63Å; Y199-L390 HydrophobicContact CD1-CD1 3.97Å; Y199-L390 HydrophobicContact CE1-CD1 4.02Å; Y199-I394 WeakPolarHBondContact CA-O 3.15Å; Y199-E395 HydrophobicContact CD1-CB 3.91Å; Y199-E395 HydrophobicContact CD1-CG 4.03Å; Y199-E395 HydrophobicContact CE1-CB 3.82Å; Y199-E395 HydrophobicContact CE1-CG 3.57Å; Y199-E395 WeakPolarHBondContact CE1-OE2 3.34Å
200I93.9Very high89Confident62 Ų6250.6 Ų50.632%0.31827%0.273SS..EExtended strand (participates in β ladder)trans-117.4114.3173.9-55.6-169.9000108I198 V204 A393 I394 F396I198-I200 HydrophobicContact CG2-CD1 4.46Å; I198-I200 HydrophobicContact CG2-CG1 3.95Å; I200-V204 HydrophobicContact CG2-CB 3.85Å; I200-V204 HydrophobicContact CG2-CG1 4.29Å; I200-V204 HydrophobicContact CG2-CG2 3.87Å; I200-A393 CarbonylContact O-C 3.51Å; I200-A393 VanDerWaalsContact O-CA 3.25Å; I200-A393 WeakPolarHBondContact O-CA 3.47Å; I200-I394 PolarHBondContact N-O 2.7Å; I200-I394 PolarHBondContact O-N 2.9Å; I200-F396 HydrophobicContact CB-CE2 4.25Å; I200-F396 HydrophobicContact CD1-CD2 4.03Å; I200-F396 HydrophobicContact CD1-CE2 3.56Å; I200-F396 HydrophobicContact CG1-CD2 4.07Å; I200-F396 HydrophobicContact CG1-CE2 3.82Å
201S94.7Very high90.5Very high10 Ų1048.1 Ų48.17%0.0726%0.257CS..EExtended strand (participates in β ladder)trans-71155.3175.6570000111.9S203 V204 P205 K392S201-S203 PolarHBondContact O-N 3.2Å; S201-S203 VanDerWaalsContact O-N 3.15Å; S201-S203 PolarHBondContact OG-OG 3.35Å; S201-V204 WeakPolarHBondContact O-CG2 3.4Å; S201-V204 PolarHBondContact O-N 3.4Å; S201-V204 WeakPolarHBondContact OG-CG2 3.4Å; S201-P205 VanDerWaalsContact O-CD 3.27Å; S201-P205 WeakPolarHBondContact O-CD 3.29Å; S201-K392 CarbonylContact C-O 3.56Å
202E95.3Very high91.8Very high34 Ų3446.8 Ų46.816%0.15925%0.246CC..THydrogen-bonded Turntrans-54.8-28.3170.8179.3-178.3107.300112.7V204 P205 N206 V272 H273 I274 K392E202-V204 PolarHBondContact O-N 3.29Å; E202-P205 VanDerWaalsContact O-CD 3.26Å; E202-P205 WeakPolarHBondContact O-CD 3.33Å; E202-P205 WeakPolarHBondContact O-CG 3.32Å; E202-N206 WeakPolarHBondContact CG-ND2 3.22Å; E202-N206 WeakPolarHBondContact O-CB 3.24Å; E202-N206 PolarHBondContact O-N 2.85Å; E202-N206 PolarHBondContact O-ND2 2.91Å; E202-V272 WeakPolarHBondContact CG-O 3.2Å; E202-H273 IonicContact OE1-ND1 3.76Å; E202-H273 VanDerWaalsContact OE2-CA 3.26Å; E202-H273 WeakPolarHBondContact OE2-CA 3.4Å; E202-I274 HydrophobicContact CB-CB 4.41Å; E202-I274 HydrophobicContact CB-CD1 3.97Å; E202-I274 HydrophobicContact CB-CG1 4.06Å; E202-I274 HydrophobicContact CG-CD1 4.46Å; E202-I274 HydrophobicContact CG-CG1 4.17Å; E202-I274 PolarHBondContact OE2-N 3.11Å; E202-K392 HydrophobicContact CB-CB 4.15Å; E202-K392 WeakPolarHBondContact CB-O 3.37Å; E202-K392 PolarHBondContact N-O 3.37Å
203S94.6Very high93Very high13 Ų1341.2 Ų41.29%0.09122%0.215CC..Hα-helixtrans-62.5-28177.165.60000113.1P181 S201 A207P181-S203 WeakPolarHBondContact CA-OG 3.38Å; S201-S203 PolarHBondContact O-N 3.2Å; S201-S203 VanDerWaalsContact O-N 3.15Å; S201-S203 PolarHBondContact OG-OG 3.35Å; S203-A207 WeakPolarHBondContact O-CB 3.48Å; S203-A207 PolarHBondContact O-N 3.32Å
204V94.5Very high93.5Very high26 Ų2642 Ų4216%0.15821%0.213CC..Hα-helixtrans-67.7-57.3-177.2-1730000112.4G167 I200 S201 E202 N206 A207 L208G167-V204 WeakPolarHBondContact O-CG2 3.4Å; I200-V204 HydrophobicContact CG2-CB 3.85Å; I200-V204 HydrophobicContact CG2-CG1 4.29Å; I200-V204 HydrophobicContact CG2-CG2 3.87Å; S201-V204 WeakPolarHBondContact O-CG2 3.4Å; S201-V204 PolarHBondContact O-N 3.4Å; S201-V204 WeakPolarHBondContact OG-CG2 3.4Å; E202-V204 PolarHBondContact O-N 3.29Å; V204-N206 VanDerWaalsContact C-N 3.29Å; V204-N206 PolarHBondContact O-N 3.49Å; V204-A207 PolarHBondContact O-N 2.95Å; V204-L208 PolarHBondContact O-N 2.81Å
205P94.7Very high93.8Very high36 Ų3643.2 Ų43.223%0.23422%0.216CC..Hα-helixtrans-63.5-34.9176.725.5-34.5000112.2S201 E202 L208 L209 V272S201-P205 VanDerWaalsContact O-CD 3.27Å; S201-P205 WeakPolarHBondContact O-CD 3.29Å; E202-P205 VanDerWaalsContact O-CD 3.26Å; E202-P205 WeakPolarHBondContact O-CD 3.33Å; E202-P205 WeakPolarHBondContact O-CG 3.32Å; P205-L208 WeakPolarHBondContact O-CB 3.46Å; P205-L208 PolarHBondContact O-N 3.49Å; P205-L209 WeakPolarHBondContact O-CB 3.5Å; P205-L209 WeakPolarHBondContact O-CD1 3.42Å; P205-L209 VanDerWaalsContact O-CG 3.27Å; P205-L209 WeakPolarHBondContact O-CG 3.5Å; P205-L209 PolarHBondContact O-N 2.58Å; P205-V272 HydrophobicContact CB-CB 4.39Å; P205-V272 HydrophobicContact CB-CG2 4.14Å; P205-V272 HydrophobicContact CG-CB 4.2Å; P205-V272 HydrophobicContact CG-CG1 4.1Å; P205-V272 HydrophobicContact CG-CG2 4.48Å
206N96Very high93.7Very high8 Ų839.3 Ų39.34%0.04320%0.204CC..Hα-helixtrans-65-43176.3-77.7-29.1000112.7F179 E202 V204 L208 L209 H210 V272F179-N206 HydrophobicContact CD1-CB 3.98Å; F179-N206 HydrophobicContact CE1-CB 3.91Å; F179-N206 HydrophobicContact CE2-CB 4.47Å; F179-N206 HydrophobicContact CG-CB 4.28Å; F179-N206 HydrophobicContact CZ-CB 4.16Å; E202-N206 WeakPolarHBondContact CG-ND2 3.22Å; E202-N206 WeakPolarHBondContact O-CB 3.24Å; E202-N206 PolarHBondContact O-N 2.85Å; E202-N206 PolarHBondContact O-ND2 2.91Å; V204-N206 VanDerWaalsContact C-N 3.29Å; V204-N206 PolarHBondContact O-N 3.49Å; N206-L208 VanDerWaalsContact C-N 3.32Å; N206-L208 PolarHBondContact O-N 3.3Å; N206-L209 PolarHBondContact O-N 2.8Å; N206-H210 VanDerWaalsContact O-CB 3.26Å; N206-H210 WeakPolarHBondContact O-CB 2.99Å; N206-H210 PolarHBondContact O-N 3.41Å; N206-V272 PolarHBondContact ND2-O 3.25Å; N206-V272 PolarHBondContact OD1-N 3.4Å; N206-V272 PolarHBondContact OD1-O 3.29Å
207A95.2Very high93.5Very high0 Ų036.3 Ų36.30%019%0.189CC..Hα-helixtrans-60.6-42.6173.400000111.9N168 A169 A177 F179 S203 V204 H211N168-A207 VanDerWaalsContact OD1-CB 3.26Å; N168-A207 WeakPolarHBondContact OD1-CB 3.24Å; A169-A207 HydrophobicContact CB-CB 4.03Å; A177-A207 HydrophobicContact CB-CB 3.61Å; F179-A207 HydrophobicContact CD2-CB 4.09Å; S203-A207 WeakPolarHBondContact O-CB 3.48Å; S203-A207 PolarHBondContact O-N 3.32Å; V204-A207 PolarHBondContact O-N 2.95Å; A207-H211 PolarHBondContact O-CD2 2.82Å; A207-H211 VanDerWaalsContact O-CD2 3.32Å; A207-H211 PolarHBondContact O-N 3.39Å
208L93.9Very high93.4Very high43 Ų4335.2 Ų35.223%0.22518%0.181CC..Hα-helixtrans-60.7-54.8175.917559000110.9V101 V143 I145 A169 V204 P205 N206 H210 H211 L212V101-L208 HydrophobicContact CG1-CD1 4.39Å; V101-L208 HydrophobicContact CG2-CD1 3.78Å; V143-L208 HydrophobicContact CG1-CD1 3.69Å; I145-L208 HydrophobicContact CD1-CD1 4.41Å; A169-L208 HydrophobicContact CB-CB 4.05Å; A169-L208 HydrophobicContact CB-CD1 4.5Å; V204-L208 PolarHBondContact O-N 2.81Å; P205-L208 WeakPolarHBondContact O-CB 3.46Å; P205-L208 PolarHBondContact O-N 3.49Å; N206-L208 VanDerWaalsContact C-N 3.32Å; N206-L208 PolarHBondContact O-N 3.3Å; L208-H210 VanDerWaalsContact C-N 3.27Å; L208-H210 PolarHBondContact O-N 2.79Å; L208-H211 PolarHBondContact O-N 2.94Å; L208-H211 VanDerWaalsContact O-N 3.1Å; L208-L212 HydrophobicContact CD1-CD1 4.28Å; L208-L212 HydrophobicContact CD1-CD2 4.39Å; L208-L212 HydrophobicContact CD1-CG 4.17Å; L208-L212 HydrophobicContact CG-CD1 4.17Å; L208-L212 HydrophobicContact CG-CG 4.41Å; L208-L212 WeakPolarHBondContact O-CG 3.48Å; L208-L212 PolarHBondContact O-N 2.84Å
209L94.8Very high93.2Very high33 Ų3337.3 Ų37.317%0.17319%0.188CC..Hα-helixtrans-61.9-34.7-178.3-71.5164.1000112.4P205 N206 L212 H213 P270 V272P205-L209 WeakPolarHBondContact O-CB 3.5Å; P205-L209 WeakPolarHBondContact O-CD1 3.42Å; P205-L209 VanDerWaalsContact O-CG 3.27Å; P205-L209 WeakPolarHBondContact O-CG 3.5Å; P205-L209 PolarHBondContact O-N 2.58Å; N206-L209 PolarHBondContact O-N 2.8Å; L209-L212 HydrophobicContact CD2-CD1 4.39Å; L209-L212 PolarHBondContact O-N 2.82Å; L209-H213 WeakPolarHBondContact O-CB 3.34Å; L209-H213 PolarHBondContact O-N 3.29Å; L209-P270 HydrophobicContact CD1-CB 4.19Å; L209-P270 HydrophobicContact CD2-CB 4.26Å; L209-P270 HydrophobicContact CD2-CG 4.39Å; L209-V272 HydrophobicContact CD1-CG2 3.46Å; L209-V272 VanDerWaalsContact CD1-CG2 3.46Å
210H95.5Very high92.9Very high37 Ų3734.9 Ų34.917%0.17118%0.18CC..Hα-helixtrans-57.9-49.1171.7176.786.3000112.2A177 F179 N206 L208 H213 K214 A269A177-H210 HydrophobicContact CB-CB 4.37Å; F179-H210 HydrophobicContact CE2-CB 3.62Å; F179-H210 AromaticContact CE2-CG 3.94Å; F179-H210 HydrophobicContact CZ-CB 4.28Å; N206-H210 VanDerWaalsContact O-CB 3.26Å; N206-H210 WeakPolarHBondContact O-CB 2.99Å; N206-H210 PolarHBondContact O-N 3.41Å; L208-H210 VanDerWaalsContact C-N 3.27Å; L208-H210 PolarHBondContact O-N 2.79Å; H210-H213 PolarHBondContact O-N 2.65Å; H210-K214 WeakPolarHBondContact O-CB 3.35Å; H210-K214 PolarHBondContact O-N 3.29Å; H210-A269 HydrophobicContact CB-CB 4.39Å
211H94.1Very high92.6Very high2 Ų234.4 Ų34.41%0.00917%0.174CC..Hα-helixtrans-66.8-38.9176.5-76.3-58.3000112.5V143 A169 N175 A177 A207 L208 H213 H215V143-H211 HydrophobicContact CG1-CB 4.3Å; A169-H211 PolarHBondContact O-CD2 3.47Å; A169-H211 PolarHBondContact O-NE2 3.01Å; N175-H211 PolarHBondContact O-CE1 2.84Å; N175-H211 PolarHBondContact O-NE2 2.97Å; N175-H211 VanDerWaalsContact O-NE2 3.13Å; A177-H211 PolarHBondContact N-NE2 2.68Å; A207-H211 PolarHBondContact O-CD2 2.82Å; A207-H211 VanDerWaalsContact O-CD2 3.32Å; A207-H211 PolarHBondContact O-N 3.39Å; L208-H211 PolarHBondContact O-N 2.94Å; L208-H211 VanDerWaalsContact O-N 3.1Å; H211-H213 VanDerWaalsContact C-N 3.3Å; H211-H213 PolarHBondContact O-N 2.76Å; H211-H215 AromaticContact ND1-CD2 3.9Å; H211-H215 AromaticContact ND1-NE2 3.66Å; H211-H215 WeakPolarHBondContact O-CB 3.34Å; H211-H215 PolarHBondContact O-CD2 2.87Å; H211-H215 PolarHBondContact O-N 2.84Å; H211-H215 VanDerWaalsContact O-N 3.1Å
212L92.5Very high92.2Very high12 Ų1234 Ų346%0.06317%0.171CC..Hα-helixtrans-61-41176.3-62.4-177000111.8L140 V143 L208 L209 I217 L218L140-L212 HydrophobicContact CD2-CD2 3.46Å; L140-L212 VanDerWaalsContact CD2-CD2 3.46Å; V143-L212 HydrophobicContact CG2-CD2 4.17Å; L208-L212 HydrophobicContact CD1-CD1 4.28Å; L208-L212 HydrophobicContact CD1-CD2 4.39Å; L208-L212 HydrophobicContact CD1-CG 4.17Å; L208-L212 HydrophobicContact CG-CD1 4.17Å; L208-L212 HydrophobicContact CG-CG 4.41Å; L208-L212 WeakPolarHBondContact O-CG 3.48Å; L208-L212 PolarHBondContact O-N 2.84Å; L209-L212 HydrophobicContact CD2-CD1 4.39Å; L209-L212 PolarHBondContact O-N 2.82Å; L212-I217 HydrophobicContact CB-CB 4.29Å; L212-I217 HydrophobicContact CD2-CB 4.1Å; L212-I217 HydrophobicContact CD2-CD1 3.6Å; L212-I217 HydrophobicContact CD2-CG1 4.45Å; L212-I217 HydrophobicContact CD2-CG2 3.92Å; L212-I217 WeakPolarHBondContact O-CA 3.44Å; L212-I217 WeakPolarHBondContact O-CB 3.42Å; L212-I217 PolarHBondContact O-N 3.17Å; L212-L218 HydrophobicContact CB-CD1 4.17Å; L212-L218 HydrophobicContact CB-CD2 3.87Å; L212-L218 HydrophobicContact CB-CG 3.76Å; L212-L218 HydrophobicContact CD1-CD2 4.27Å; L212-L218 PolarHBondContact O-N 3.11Å
213H93.7Very high91.7Very high51 Ų5133 Ų3324%0.23617%0.167CC..Hα-helixtrans-68.6-57.4175.6171.770.3000111.8L209 H210 H211 H215 G216 L218 T266 S268 A269L209-H213 WeakPolarHBondContact O-CB 3.34Å; L209-H213 PolarHBondContact O-N 3.29Å; H210-H213 PolarHBondContact O-N 2.65Å; H211-H213 VanDerWaalsContact C-N 3.3Å; H211-H213 PolarHBondContact O-N 2.76Å; H213-H215 PolarHBondContact O-N 3.4Å; H213-H215 VanDerWaalsContact O-N 3.08Å; H213-G216 PolarHBondContact O-N 3.24Å; H213-L218 HydrophobicContact CB-CD1 4.1Å; H213-T266 PolarHBondContact CE1-O 2.82Å; H213-T266 VanDerWaalsContact CE1-O 3.24Å; H213-T266 PolarHBondContact ND1-OG1 2.84Å; H213-S268 VanDerWaalsContact CE1-C 3.41Å; H213-S268 PolarHBondContact ND1-O 2.87Å; H213-A269 HydrophobicContact CB-CB 3.88Å; H213-A269 PolarHBondContact CD2-N 3.45Å
214K93.1Very high91Very high129 Ų12936 Ų3656%0.56118%0.178SC*.Hα-helixtrans-56.5-31.4-174.2-176.5174-177.8173.60113H210H210-K214 WeakPolarHBondContact O-CB 3.35Å; H210-K214 PolarHBondContact O-N 3.29Å
215H91.5Very high90.4Very high50 Ų5040.6 Ų40.623%0.23120%0.202CC..THydrogen-bonded Turntrans-101.916.7-179.5-60.2-66.5000113.7T139 W171 H211 H213 I217T139-H215 HydrophobicContact CG2-CB 4.32Å; W171-H215 AromaticContact CD1-CE1 3.6Å; W171-H215 AromaticContact CD1-NE2 3.68Å; W171-H215 AromaticContact CD2-CD2 3.36Å; W171-H215 AromaticContact CD2-CE1 3.57Å; W171-H215 AromaticContact CD2-CG 3.72Å; W171-H215 AromaticContact CD2-ND1 3.83Å; W171-H215 AromaticContact CD2-NE2 3.29Å; W171-H215 VanDerWaalsContact CD2-NE2 3.29Å; W171-H215 AromaticContact CE2-CD2 3.91Å; W171-H215 AromaticContact CE2-CE1 3.52Å; W171-H215 AromaticContact CE2-CG 3.79Å; W171-H215 AromaticContact CE2-ND1 3.55Å; W171-H215 AromaticContact CE2-NE2 3.78Å; W171-H215 HydrophobicContact CE3-CB 4.21Å; W171-H215 AromaticContact CE3-CD2 3.26Å; W171-H215 AromaticContact CE3-CG 3.64Å; W171-H215 AromaticContact CE3-NE2 3.73Å; W171-H215 AromaticContact CG-CD2 3.82Å; W171-H215 AromaticContact CG-CE1 3.63Å; W171-H215 AromaticContact CG-NE2 3.25Å; W171-H215 HydrophobicContact CH2-CB 3.77Å; W171-H215 AromaticContact CH2-CG 3.77Å; W171-H215 HydrophobicContact CZ2-CB 4.26Å; W171-H215 AromaticContact CZ2-CG 3.85Å; W171-H215 AromaticContact CZ2-ND1 3.74Å; W171-H215 HydrophobicContact CZ3-CB 3.73Å; W171-H215 AromaticContact CZ3-CD2 3.74Å; W171-H215 AromaticContact CZ3-CG 3.65Å; W171-H215 AromaticContact NE1-CE1 3.5Å; W171-H215 PolarHBondContact NE1-CE1 3.42Å; W171-H215 AromaticContact NE1-ND1 3.89Å; W171-H215 AromaticContact NE1-NE2 3.94Å; H211-H215 AromaticContact ND1-CD2 3.9Å; H211-H215 AromaticContact ND1-NE2 3.66Å; H211-H215 WeakPolarHBondContact O-CB 3.34Å; H211-H215 PolarHBondContact O-CD2 2.87Å; H211-H215 PolarHBondContact O-N 2.84Å; H211-H215 VanDerWaalsContact O-N 3.1Å; H213-H215 PolarHBondContact O-N 3.4Å; H213-H215 VanDerWaalsContact O-N 3.08Å; H215-I217 VanDerWaalsContact C-N 3.25Å; H215-I217 PolarHBondContact O-N 3.18Å
216G89.2Confident89.5Confident31 Ų3139.9 Ų39.932%0.3220%0.198SC..THydrogen-bonded Turntrans6820171.900000114.7N136 H213 L218 K219N136-G216 PolarHBondContact ND2-O 3.35Å; H213-G216 PolarHBondContact O-N 3.24Å; G216-L218 VanDerWaalsContact C-N 3.34Å; G216-K219 WeakPolarHBondContact O-CB 3.37Å; G216-K219 PolarHBondContact O-N 3.24Å
217I88.5Confident88.3Confident2 Ų249.2 Ų49.21%0.0124%0.238CC..THydrogen-bonded Turntrans-74.7-31176.6-60.6165.5000110.3F133 T139 L140 V143 W171 L212 H215 K219F133-I217 HydrophobicContact CD1-CG2 4.2Å; T139-I217 HydrophobicContact CG2-CD1 3.92Å; T139-I217 HydrophobicContact CG2-CG1 3.65Å; L140-I217 HydrophobicContact CD1-CG2 4.17Å; L140-I217 HydrophobicContact CD2-CD1 4Å; L140-I217 HydrophobicContact CD2-CG2 3.81Å; L140-I217 HydrophobicContact CG-CD1 4.17Å; L140-I217 HydrophobicContact CG-CG2 3.75Å; V143-I217 HydrophobicContact CG2-CD1 3.73Å; W171-I217 HydrophobicContact CZ3-CD1 4.36Å; L212-I217 HydrophobicContact CB-CB 4.29Å; L212-I217 HydrophobicContact CD2-CB 4.1Å; L212-I217 HydrophobicContact CD2-CD1 3.6Å; L212-I217 HydrophobicContact CD2-CG1 4.45Å; L212-I217 HydrophobicContact CD2-CG2 3.92Å; L212-I217 WeakPolarHBondContact O-CA 3.44Å; L212-I217 WeakPolarHBondContact O-CB 3.42Å; L212-I217 PolarHBondContact O-N 3.17Å; H215-I217 VanDerWaalsContact C-N 3.25Å; H215-I217 PolarHBondContact O-N 3.18Å; I217-K219 PolarHBondContact O-N 2.92Å
218L90.3Very high87.1Confident19 Ų1951.2 Ų51.210%0.09925%0.248CC..THydrogen-bonded Turntrans-81.515.1173.1-55.1-174.8000113.6F133 L212 H213 G216 T266 P270F133-L218 HydrophobicContact CE1-CD2 3.74Å; F133-L218 HydrophobicContact CZ-CD2 4.47Å; L212-L218 HydrophobicContact CB-CD1 4.17Å; L212-L218 HydrophobicContact CB-CD2 3.87Å; L212-L218 HydrophobicContact CB-CG 3.76Å; L212-L218 HydrophobicContact CD1-CD2 4.27Å; L212-L218 PolarHBondContact O-N 3.11Å; H213-L218 HydrophobicContact CB-CD1 4.1Å; G216-L218 VanDerWaalsContact C-N 3.34Å; L218-T266 HydrophobicContact CB-CG2 3.77Å; L218-T266 WeakPolarHBondContact CB-OG1 3.49Å; L218-T266 HydrophobicContact CD1-CG2 3.88Å; L218-T266 HydrophobicContact CG-CG2 4.47Å; L218-P270 VanDerWaalsContact CD1-CD 3.44Å; L218-P270 HydrophobicContact CD1-CG 3.58Å
219K89Confident85.9Confident113 Ų11354 Ų5449%0.49126%0.26SS..EExtended strand (participates in β ladder)trans-94.2108.2167.4-178.3172.7-177.3-179.80109.2G216 I217 L264 T265G216-K219 WeakPolarHBondContact O-CB 3.37Å; G216-K219 PolarHBondContact O-N 3.24Å; I217-K219 PolarHBondContact O-N 2.92Å; K219-L264 CarbonylContact C-O 3.48Å; K219-L264 WeakPolarHBondContact CA-O 3.38Å; K219-T265 HydrophobicContact CB-CG2 4.35Å; K219-T265 HydrophobicContact CG-CG2 4.36Å
220L87.1Confident85Confident21 Ų2152.9 Ų52.911%0.1125%0.254CS..EExtended strand (participates in β ladder)trans-101.3136.8-179.8-51.1179.3000109.8I132 Y263 L264I132-L220 HydrophobicContact CG2-CD1 3.34Å; I132-L220 HydrophobicContact CG2-CD2 4.01Å; I132-L220 HydrophobicContact CG2-CG 4.31Å; I132-L220 WeakPolarHBondContact O-CD2 3.44Å; L220-Y263 WeakPolarHBondContact O-CA 3.44Å; L220-L264 HydrophobicContact CB-CB 4.24Å; L220-L264 HydrophobicContact CD1-CD2 4.23Å; L220-L264 PolarHBondContact N-O 3.22Å; L220-L264 PolarHBondContact O-N 2.89Å
221R86.5Confident84.1Confident53 Ų5351.9 Ų51.920%0.225%0.251CS..EExtended strand (participates in β ladder)trans-115.1117.9172.7-173.5-178.4173.2-75.75.7108.7D223 V261 Y263 E292R221-D223 IonicContact CZ-OD2 2.7Å; R221-D223 IonicContact NH1-OD2 3.11Å; R221-D223 PolarHBondContact NH1-OD2 3.28Å; R221-V261 HydrophobicContact CG-CG1 3.44Å; R221-V261 VanDerWaalsContact CG-CG1 3.44Å; R221-Y263 HydrophobicContact CB-CD1 4.07Å; R221-Y263 HydrophobicContact CB-CE1 3.67Å; R221-Y263 VanDerWaalsContact CD-OH 3.31Å; R221-Y263 WeakPolarHBondContact CD-OH 3.49Å; R221-Y263 HydrophobicContact CG-CD1 4.18Å; R221-Y263 HydrophobicContact CG-CE1 3.52Å; R221-Y263 PolarHBondContact NE-OH 2.86Å; R221-E292 IonicContact CZ-OE2 3.9Å; R221-E292 IonicContact NE-OE2 2.69Å; R221-E292 PolarHBondContact NE-OE2 2.94Å; R221-E292 IonicContact NH2-OE2 2.74Å; R221-E292 PolarHBondContact NH2-OE2 3.08Å
222I85.6Confident83.1Confident2 Ų254.3 Ų54.31%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-109.5120.4-178.5-52.8174.3000107.5M228 L230 L234 I262I222-M228 HydrophobicContact CD1-CE 3.69Å; I222-M228 HydrophobicContact CD1-SD 3.65Å; I222-M228 HydrophobicContact CG1-CE 4.45Å; I222-M228 HydrophobicContact CG1-SD 3.75Å; I222-L230 HydrophobicContact CD1-CB 4.48Å; I222-L230 HydrophobicContact CD1-CD1 4.01Å; I222-L230 HydrophobicContact CG2-CB 4.36Å; I222-L234 HydrophobicContact CG2-CD1 4.21Å; I222-L234 VanDerWaalsContact O-CD1 3.26Å; I222-L234 WeakPolarHBondContact O-CD1 3.18Å; I222-I262 HydrophobicContact CB-CB 4.16Å; I222-I262 HydrophobicContact CD1-CG2 4.33Å; I222-I262 PolarHBondContact N-O 3.47Å; I222-I262 PolarHBondContact O-N 3.4Å
223D85Confident82.3Confident13 Ų1354.7 Ų54.77%0.0727%0.27CS..  trans-124.2178.6174.461.140.8000110.1R135 R221 N225 S226 S231R135-D223 IonicContact CZ-OD2 3.09Å; R135-D223 VanDerWaalsContact CZ-OD2 3.29Å; R135-D223 IonicContact NH1-OD2 3.1Å; R135-D223 PolarHBondContact NH1-OD2 3.21Å; R135-D223 IonicContact NH2-OD1 2.94Å; R135-D223 IonicContact NH2-OD2 3.78Å; R135-D223 PolarHBondContact NH2-OD2 3.22Å; R221-D223 IonicContact CZ-OD2 2.7Å; R221-D223 IonicContact NH1-OD2 3.11Å; R221-D223 PolarHBondContact NH1-OD2 3.28Å; D223-N225 PolarHBondContact O-N 3.2Å; D223-N225 WeakPolarHBondContact OD1-CA 3.36Å; D223-N225 WeakPolarHBondContact OD1-CB 3.45Å; D223-N225 PolarHBondContact OD1-N 3.45Å; D223-S226 PolarHBondContact N-OG 3.1Å; D223-S226 VanDerWaalsContact N-OG 3.16Å; D223-S226 WeakPolarHBondContact O-CB 3.31Å; D223-S226 PolarHBondContact O-N 3.09Å; D223-S226 PolarHBondContact OD1-N 3.02Å; D223-S226 VanDerWaalsContact OD1-N 3.16Å; D223-S231 WeakPolarHBondContact O-CB 3.36Å
224K81.5Confident81.7Confident75 Ų7552.4 Ų52.433%0.32626%0.26SS..THydrogen-bonded Turntrans-53.1-22.6177.768.9-175.7179.9-170.40114.5E294K224-E294 IonicContact NZ-OE1 3.85Å
225N80.5Confident80.9Confident122 Ų12251.4 Ų51.465%0.65226%0.255SS*.THydrogen-bonded Turntrans-99.6-1.9-178.9-60.9-39.7000113.1D223D223-N225 PolarHBondContact O-N 3.2Å; D223-N225 WeakPolarHBondContact OD1-CA 3.36Å; D223-N225 WeakPolarHBondContact OD1-CB 3.45Å; D223-N225 PolarHBondContact OD1-N 3.45Å
226S75.7Confident79.7Confident21 Ų2152.1 Ų52.115%0.14726%0.261CS..SBendtrans-69.5142.9176.3-72.40000111.3D223 M228 S231D223-S226 PolarHBondContact N-OG 3.1Å; D223-S226 VanDerWaalsContact N-OG 3.16Å; D223-S226 WeakPolarHBondContact O-CB 3.31Å; D223-S226 PolarHBondContact O-N 3.09Å; D223-S226 PolarHBondContact OD1-N 3.02Å; D223-S226 VanDerWaalsContact OD1-N 3.16Å; S226-M228 PolarHBondContact O-N 2.83Å; S226-M228 VanDerWaalsContact O-N 3.08Å; S226-S231 WeakPolarHBondContact O-CB 3.48Å; S226-S231 PolarHBondContact O-OG 2.85Å
227K72.3Confident78.5Confident205 Ų20558 Ų5889%0.89129%0.285SS*.SBendtrans-84.239.4177.5-62.3-171177.9-169.50112.7
228M69.3Low77.2Confident42 Ų4260.1 Ų60.121%0.20730%0.299CS..SBendtrans-115.8151.5179.1-68.4-17970.500109I222 S226 L230 S231I222-M228 HydrophobicContact CD1-CE 3.69Å; I222-M228 HydrophobicContact CD1-SD 3.65Å; I222-M228 HydrophobicContact CG1-CE 4.45Å; I222-M228 HydrophobicContact CG1-SD 3.75Å; S226-M228 PolarHBondContact O-N 2.83Å; S226-M228 VanDerWaalsContact O-N 3.08Å; M228-L230 PolarHBondContact O-N 2.84Å; M228-S231 WeakPolarHBondContact O-CB 3.27Å; M228-S231 PolarHBondContact O-N 2.84Å; M228-S231 PolarHBondContact O-OG 2.83Å
229E69.2Low75.4Confident102 Ų10269.3 Ų69.348%0.47734%0.342SS..G310 helixtrans-56.8-38.6180-173.2170.8-150.600112.5S231 S232 S359E229-S231 PolarHBondContact O-N 2.88Å; E229-S231 VanDerWaalsContact O-N 3.13Å; E229-S232 WeakPolarHBondContact O-CB 3.36Å; E229-S232 PolarHBondContact O-N 2.81Å; E229-S232 VanDerWaalsContact O-N 3.16Å; E229-S232 PolarHBondContact O-OG 3.31Å; E229-S359 PolarHBondContact OE2-OG 3.43Å
230L74.6Confident73.7Confident9 Ų966.2 Ų66.25%0.04734%0.342CS..G310 helixtrans-61.6-18.2175.5-62.6172.2000114.4I222 M228 S232 L233 I355 L356I222-L230 HydrophobicContact CD1-CB 4.48Å; I222-L230 HydrophobicContact CD1-CD1 4.01Å; I222-L230 HydrophobicContact CG2-CB 4.36Å; M228-L230 PolarHBondContact O-N 2.84Å; L230-S232 PolarHBondContact O-N 2.75Å; L230-L233 HydrophobicContact CD2-CD1 3.77Å; L230-L233 WeakPolarHBondContact O-CB 3.4Å; L230-L233 PolarHBondContact O-N 2.86Å; L230-I355 HydrophobicContact CD2-CG2 3.99Å; L230-L356 HydrophobicContact CD1-CD2 3.59Å; L230-L356 HydrophobicContact CD2-CD2 3.64Å; L230-L356 HydrophobicContact CD2-CG 4.46Å; L230-L356 HydrophobicContact CG-CD2 4.27Å
231S76.7Confident72.2Confident15 Ų1576 Ų7611%0.10538%0.378CS..G310 helixtrans-68.2-23.417771.30000112.8D223 S226 M228 E229 L233 L234D223-S231 WeakPolarHBondContact O-CB 3.36Å; S226-S231 WeakPolarHBondContact O-CB 3.48Å; S226-S231 PolarHBondContact O-OG 2.85Å; M228-S231 WeakPolarHBondContact O-CB 3.27Å; M228-S231 PolarHBondContact O-N 2.84Å; M228-S231 PolarHBondContact O-OG 2.83Å; E229-S231 PolarHBondContact O-N 2.88Å; E229-S231 VanDerWaalsContact O-N 3.13Å; S231-L233 VanDerWaalsContact C-N 3.28Å; S231-L233 PolarHBondContact O-N 3.38Å; S231-L234 PolarHBondContact O-N 3.38Å
232S74.5Confident71.1Confident54 Ų5479.7 Ų79.738%0.37840%0.395SS..G310 helixtrans-63.9-34.2175.263.50000112.3E229 L230 L234 K235E229-S232 WeakPolarHBondContact O-CB 3.36Å; E229-S232 PolarHBondContact O-N 2.81Å; E229-S232 VanDerWaalsContact O-N 3.16Å; E229-S232 PolarHBondContact O-OG 3.31Å; L230-S232 PolarHBondContact O-N 2.75Å; S232-L234 PolarHBondContact O-N 2.98Å; S232-K235 PolarHBondContact O-N 2.9Å
233L74.9Confident70.4Confident20 Ų2080.1 Ų80.111%0.10540%0.399CS..G310 helixtrans-64.2-25.3176.1-60.6175.5000112.6L230 S231 F242 L244 L352 I355L230-L233 HydrophobicContact CD2-CD1 3.77Å; L230-L233 WeakPolarHBondContact O-CB 3.4Å; L230-L233 PolarHBondContact O-N 2.86Å; S231-L233 VanDerWaalsContact C-N 3.28Å; S231-L233 PolarHBondContact O-N 3.38Å; L233-F242 HydrophobicContact CD2-CB 4.48Å; L233-L244 WeakPolarHBondContact O-CB 3.48Å; L233-L244 PolarHBondContact O-N 2.85Å; L233-L352 HydrophobicContact CD1-CD1 4.03Å; L233-I355 HydrophobicContact CD1-CG2 4.16Å; L233-I355 HydrophobicContact CD2-CD1 4.23Å
234L80.3Confident69.8Low3 Ų379.9 Ų79.92%0.01640%0.397CS..G310 helixtrans-92.96.5-174.7-55.5177.7000113.4I222 S231 S232 P260 I262 L289I222-L234 HydrophobicContact CG2-CD1 4.21Å; I222-L234 VanDerWaalsContact O-CD1 3.26Å; I222-L234 WeakPolarHBondContact O-CD1 3.18Å; S231-L234 PolarHBondContact O-N 3.38Å; S232-L234 PolarHBondContact O-N 2.98Å; L234-P260 HydrophobicContact CB-CG 4.33Å; L234-P260 HydrophobicContact CD2-CB 3.94Å; L234-P260 HydrophobicContact CD2-CG 4.26Å; L234-I262 HydrophobicContact CD1-CD1 4.24Å; L234-I262 HydrophobicContact CD1-CG1 4.3Å; L234-I262 HydrophobicContact CD2-CD1 3.87Å; L234-I262 HydrophobicContact CD2-CG1 3.98Å; L234-I262 HydrophobicContact CG-CD1 4.24Å; L234-L289 HydrophobicContact CD2-CD1 4.07Å
235K76Confident69.4Low108 Ų10879.3 Ų79.347%0.4740%0.397SS..  trans-83.8140.3174.6-67-177.5178.9-176.70110.2S232S232-K235 PolarHBondContact O-N 2.9Å
236N66.3Low69Low64 Ų6475.6 Ų75.634%0.34238%0.381SS..SBendtrans-74.1-40.8179.7-62.5-5000111.5
237D64.1Low68.9Low155 Ų15576 Ų7683%0.82938%0.38SS*.  trans-103.398.5-174.7-53.6-42.1000110.2
238C62Low69.3Low47 Ų4766.5 Ų66.532%0.31834%0.339SS..  trans-132.7132.4174.5-56.30000109.9G240 C243C238-G240 PolarHBondContact O-N 2.96Å; C238-C243 HydrophobicContact CB-CB 3.47Å; C238-C243 VanDerWaalsContact CB-CB 3.47Å; C238-C243 VanDerWaalsContact SG-CB 3.55Å
239Q52.3Low69.6Low211 Ų21168.1 Ų68.199%0.98635%0.353SS*.SBendtrans-83.3104.3163.1-70.2-179.3-13.500108.1
240G54Low70.2Confident48 Ų4867.1 Ų67.150%0.49535%0.348SS..SBendtrans132.9178.4172.900000115.6C238 F242C238-G240 PolarHBondContact O-N 2.96Å; G240-F242 PolarHBondContact O-N 3.33Å
241W54Low70.7Confident228 Ų22866.7 Ų66.786%0.86435%0.346SS*.SBendtrans-69.6-12.1-173.9-61.1-19.3000115C243 S246W241-C243 PolarHBondContact O-N 3.1Å; W241-S246 WeakPolarHBondContact O-CB 3.32Å; W241-S246 PolarHBondContact O-OG 3.21Å
242F63.3Low70.9Confident129 Ų12968.4 Ų68.457%0.56635%0.352SS*.  trans-97.656.2-173.1-62.1-78.9000113.1L233 G240 I355L233-F242 HydrophobicContact CD2-CB 4.48Å; G240-F242 PolarHBondContact O-N 3.33Å; F242-I355 HydrophobicContact CD1-CD1 3.86Å; F242-I355 HydrophobicContact CE1-CD1 3.98Å; F242-I355 HydrophobicContact CE1-CG1 4.44Å
243C71.6Confident71.4Confident12 Ų1271.5 Ų71.58%0.08137%0.369CS..SBendtrans-139.5157173.570.50000112C238 W241 N245 S246 F247C238-C243 HydrophobicContact CB-CB 3.47Å; C238-C243 VanDerWaalsContact CB-CB 3.47Å; C238-C243 VanDerWaalsContact SG-CB 3.55Å; W241-C243 PolarHBondContact O-N 3.1Å; C243-N245 PolarHBondContact O-N 3.31Å; C243-S246 WeakPolarHBondContact O-CB 3.22Å; C243-S246 PolarHBondContact O-N 3.19Å; C243-S246 VanDerWaalsContact O-N 3.08Å; C243-S246 PolarHBondContact SG-N 3.22Å; C243-S246 VanDerWaalsContact SG-N 3.36Å; C243-F247 PolarHBondContact O-N 2.75Å; C243-F247 VanDerWaalsContact O-N 3.09Å
244L73.1Confident71.9Confident8 Ų875 Ų754%0.04239%0.386CS..Hα-helixtrans-55.6-37.6177.5-172.869.2000111.7L233 S246 F247 L248 F251 P260 L289L233-L244 WeakPolarHBondContact O-CB 3.48Å; L233-L244 PolarHBondContact O-N 2.85Å; L244-S246 VanDerWaalsContact C-N 3.31Å; L244-S246 PolarHBondContact O-N 3.41Å; L244-F247 HydrophobicContact CD1-CD1 4.4Å; L244-F247 PolarHBondContact O-N 2.84Å; L244-L248 HydrophobicContact CD1-CB 4.11Å; L244-L248 HydrophobicContact CD1-CD1 3.97Å; L244-L248 HydrophobicContact CG-CB 4.48Å; L244-L248 CarbonylContact O-C 3.58Å; L244-L248 WeakPolarHBondContact O-CA 3.22Å; L244-L248 PolarHBondContact O-N 3.5Å; L244-F251 HydrophobicContact CD2-CB 4.26Å; L244-F251 HydrophobicContact CD2-CD1 3.73Å; L244-F251 HydrophobicContact CD2-CD2 4.15Å; L244-F251 HydrophobicContact CD2-CE1 4.11Å; L244-F251 HydrophobicContact CD2-CE2 4.46Å; L244-F251 HydrophobicContact CD2-CG 3.78Å; L244-F251 HydrophobicContact CD2-CZ 4.46Å; L244-P260 HydrophobicContact CD2-CB 3.32Å; L244-P260 HydrophobicContact CD2-CG 3.52Å; L244-L289 HydrophobicContact CD1-CD2 3.82Å
245N72.3Confident72.3Confident62 Ų6277.2 Ų77.233%0.33239%0.394SS..Hα-helixtrans-66.6-32.8-179.9-722.7000113.1C243 P249 H252C243-N245 PolarHBondContact O-N 3.31Å; N245-P249 VanDerWaalsContact O-CA 3.27Å; N245-P249 WeakPolarHBondContact O-CA 3.48Å; N245-P249 WeakPolarHBondContact O-CB 3.47Å; N245-H252 PolarHBondContact OD1-CD2 2.96Å; N245-H252 PolarHBondContact OD1-NE2 2.92Å; N245-H252 VanDerWaalsContact OD1-NE2 3.14Å
246S73.3Confident72.6Confident44 Ų4476.7 Ų76.731%0.30840%0.402SS..Hα-helixtrans-70-42.1173.9178.20000110.9W241 C243 L244 K348W241-S246 WeakPolarHBondContact O-CB 3.32Å; W241-S246 PolarHBondContact O-OG 3.21Å; C243-S246 WeakPolarHBondContact O-CB 3.22Å; C243-S246 PolarHBondContact O-N 3.19Å; C243-S246 VanDerWaalsContact O-N 3.08Å; C243-S246 PolarHBondContact SG-N 3.22Å; C243-S246 VanDerWaalsContact SG-N 3.36Å; L244-S246 VanDerWaalsContact C-N 3.31Å; L244-S246 PolarHBondContact O-N 3.41Å; S246-K348 PolarHBondContact O-NZ 3.12Å
247F72.8Confident73.4Confident30 Ų3078.2 Ų78.213%0.13242%0.418CS..Hα-helixtrans-77.3-47.4-175.9175.4-106.9000113.3C243 L244 L305 V344 K348 V349 L352C243-F247 PolarHBondContact O-N 2.75Å; C243-F247 VanDerWaalsContact O-N 3.09Å; L244-F247 HydrophobicContact CD1-CD1 4.4Å; L244-F247 PolarHBondContact O-N 2.84Å; F247-L305 HydrophobicContact CE1-CD2 3.81Å; F247-L305 HydrophobicContact CZ-CD2 3.75Å; F247-V344 HydrophobicContact CE2-CG1 4.17Å; F247-V344 HydrophobicContact CZ-CG1 3.95Å; F247-K348 HydrophobicContact CD2-CB 3.73Å; F247-K348 VanDerWaalsContact CE2-C 3.48Å; F247-K348 HydrophobicContact CE2-CB 3.86Å; F247-K348 WeakPolarHBondContact CE2-O 3.39Å; F247-K348 WeakPolarHBondContact O-CD 3.37Å; F247-V349 HydrophobicContact CE2-CG2 4.37Å; F247-V349 HydrophobicContact CZ-CG2 4.3Å; F247-L352 HydrophobicContact CD2-CB 4.44Å; F247-L352 HydrophobicContact CE1-CD2 3.87Å; F247-L352 HydrophobicContact CE2-CB 3.81Å; F247-L352 HydrophobicContact CE2-CD2 4.16Å; F247-L352 HydrophobicContact CZ-CB 4.06Å; F247-L352 HydrophobicContact CZ-CD2 3.52Å; F247-L352 HydrophobicContact CZ-CG 4.38Å
248L79.7Confident74.5Confident5 Ų573.2 Ų73.23%0.02639%0.389CS..  trans-13272.2-176.4-80169.4000110.6L244 Q250 F251 L289 V304 L342 V344L244-L248 HydrophobicContact CD1-CB 4.11Å; L244-L248 HydrophobicContact CD1-CD1 3.97Å; L244-L248 HydrophobicContact CG-CB 4.48Å; L244-L248 CarbonylContact O-C 3.58Å; L244-L248 WeakPolarHBondContact O-CA 3.22Å; L244-L248 PolarHBondContact O-N 3.5Å; L248-Q250 PolarHBondContact O-N 3.32Å; L248-Q250 VanDerWaalsContact O-N 3.11Å; L248-F251 HydrophobicContact CB-CB 4.29Å; L248-F251 VanDerWaalsContact O-CB 3.31Å; L248-F251 WeakPolarHBondContact O-CB 3.29Å; L248-F251 PolarHBondContact O-N 2.82Å; L248-L289 HydrophobicContact CD1-CD2 3.29Å; L248-V304 HydrophobicContact CD1-CG1 4.06Å; L248-L342 HydrophobicContact CD2-CB 4.5Å; L248-L342 HydrophobicContact CD2-CD1 4.27Å; L248-V344 HydrophobicContact CD2-CB 4.39Å; L248-V344 HydrophobicContact CD2-CG1 4.04Å; L248-V344 HydrophobicContact CD2-CG2 3.59Å
249P76.9Confident75.6Confident76 Ų7672.7 Ų72.749%0.49438%0.383SS..THydrogen-bonded Turntrans-60.3-26.7-177.122.3-33000113.4N245 F251N245-P249 VanDerWaalsContact O-CA 3.27Å; N245-P249 WeakPolarHBondContact O-CA 3.48Å; N245-P249 WeakPolarHBondContact O-CB 3.47Å; P249-F251 VanDerWaalsContact C-N 3.26Å; P249-F251 PolarHBondContact O-N 2.8Å
250Q81.3Confident77.3Confident81 Ų8162.9 Ų62.938%0.37934%0.337SS..THydrogen-bonded Turntrans-75.1-11.9179.7-61.3176.229.700113.4L248 H252 T253 M254L248-Q250 PolarHBondContact O-N 3.32Å; L248-Q250 VanDerWaalsContact O-N 3.11Å; Q250-H252 PolarHBondContact O-N 2.97Å; Q250-T253 PolarHBondContact O-N 2.93Å; Q250-T253 VanDerWaalsContact O-N 3.16Å; Q250-M254 HydrophobicContact CB-CE 4.18Å; Q250-M254 PolarHBondContact O-N 2.74Å
251F84.5Confident78.9Confident0 Ų060.7 Ų60.70%031%0.314CS..Hα-helixtrans-57.4-52-173.7-178.3-86.2000111.7L244 L248 P249 T253 M254 Y255 P260 A291 V304L244-F251 HydrophobicContact CD2-CB 4.26Å; L244-F251 HydrophobicContact CD2-CD1 3.73Å; L244-F251 HydrophobicContact CD2-CD2 4.15Å; L244-F251 HydrophobicContact CD2-CE1 4.11Å; L244-F251 HydrophobicContact CD2-CE2 4.46Å; L244-F251 HydrophobicContact CD2-CG 3.78Å; L244-F251 HydrophobicContact CD2-CZ 4.46Å; L248-F251 HydrophobicContact CB-CB 4.29Å; L248-F251 VanDerWaalsContact O-CB 3.31Å; L248-F251 WeakPolarHBondContact O-CB 3.29Å; L248-F251 PolarHBondContact O-N 2.82Å; P249-F251 VanDerWaalsContact C-N 3.26Å; P249-F251 PolarHBondContact O-N 2.8Å; F251-T253 VanDerWaalsContact C-N 3.3Å; F251-T253 PolarHBondContact O-N 3.06Å; F251-M254 PolarHBondContact O-N 2.89Å; F251-Y255 HydrophobicContact CD2-CD2 4.35Å; F251-Y255 HydrophobicContact CE2-CD2 4.43Å; F251-Y255 WeakPolarHBondContact O-CA 3.3Å; F251-Y255 WeakPolarHBondContact O-CB 3.47Å; F251-Y255 PolarHBondContact O-N 2.79Å; F251-P260 HydrophobicContact CE1-CB 3.98Å; F251-P260 HydrophobicContact CE1-CG 4.36Å; F251-P260 HydrophobicContact CE2-CB 4.17Å; F251-P260 HydrophobicContact CZ-CB 3.67Å; F251-P260 HydrophobicContact CZ-CG 4.49Å; F251-A291 HydrophobicContact CE2-CB 3.81Å; F251-A291 HydrophobicContact CZ-CB 3.69Å; F251-V304 HydrophobicContact CD2-CG1 4.4Å; F251-V304 HydrophobicContact CD2-CG2 4.17Å; F251-V304 HydrophobicContact CE2-CG2 3.97Å
252H82.1Confident80.6Confident52 Ų5250.4 Ų50.424%0.24128%0.276CS..Hα-helixtrans-72.8-22.4179.8-68.6-58.4000113.5N245 Q250 P256N245-H252 PolarHBondContact OD1-CD2 2.96Å; N245-H252 PolarHBondContact OD1-NE2 2.92Å; N245-H252 VanDerWaalsContact OD1-NE2 3.14Å; Q250-H252 PolarHBondContact O-N 2.97Å; H252-P256 WeakPolarHBondContact O-CA 3.45Å; H252-P256 WeakPolarHBondContact O-CB 3Å
253T85.1Confident81.9Confident118 Ų11845.7 Ų45.772%0.72426%0.255SS*.Hα-helixtrans-71.6-42.5173.7-49.30000111.2Q250 F251Q250-T253 PolarHBondContact O-N 2.93Å; Q250-T253 VanDerWaalsContact O-N 3.16Å; F251-T253 VanDerWaalsContact C-N 3.3Å; F251-T253 PolarHBondContact O-N 3.06Å
254M84.9Confident82.8Confident95 Ų9547.1 Ų47.147%0.46826%0.261SS..Hα-helixtrans-82.8-28.9179.6-64-156.8-159.700113.3Q250 F251 P256 L342Q250-M254 HydrophobicContact CB-CE 4.18Å; Q250-M254 PolarHBondContact O-N 2.74Å; F251-M254 PolarHBondContact O-N 2.89Å; M254-P256 VanDerWaalsContact C-CD 3.48Å; M254-L342 HydrophobicContact CE-CD2 3.48Å; M254-L342 VanDerWaalsContact CE-CD2 3.48Å; M254-L342 HydrophobicContact SD-CD2 3.24Å; M254-L342 WeakPolarHBondContact SD-CD2 3.49Å
255Y88Confident83.8Confident48 Ų4849 Ų4919%0.18827%0.273CS..  trans-13163.1-176.2-54.2-75.5000111.6F251 S257 K258 A291 A302 V304F251-Y255 HydrophobicContact CD2-CD2 4.35Å; F251-Y255 HydrophobicContact CE2-CD2 4.43Å; F251-Y255 WeakPolarHBondContact O-CA 3.3Å; F251-Y255 WeakPolarHBondContact O-CB 3.47Å; F251-Y255 PolarHBondContact O-N 2.79Å; Y255-S257 VanDerWaalsContact C-N 3.31Å; Y255-S257 PolarHBondContact O-N 2.89Å; Y255-K258 HydrophobicContact CD1-CG 4.39Å; Y255-K258 PolarHBondContact O-N 3.47Å; Y255-A291 HydrophobicContact CD1-CB 3.86Å; Y255-A291 HydrophobicContact CD2-CB 4.02Å; Y255-A291 HydrophobicContact CE1-CB 4.34Å; Y255-A291 HydrophobicContact CE2-CB 4.48Å; Y255-A291 HydrophobicContact CG-CB 3.68Å; Y255-A302 HydrophobicContact CD1-CB 4.32Å; Y255-A302 HydrophobicContact CE1-CB 3.46Å; Y255-A302 VanDerWaalsContact CE1-CB 3.46Å; Y255-V304 HydrophobicContact CD2-CG2 4.29Å; Y255-V304 HydrophobicContact CE2-CG2 3.72Å
256P82.1Confident84.9Confident97 Ų9746.6 Ų46.663%0.6326%0.261SS*.THydrogen-bonded Turntrans-61.7-33-170.822.7-33.8000114.3H252 M254H252-P256 WeakPolarHBondContact O-CA 3.45Å; H252-P256 WeakPolarHBondContact O-CB 3Å; M254-P256 VanDerWaalsContact C-CD 3.48Å
257S83.2Confident85.9Confident97 Ų9749.5 Ų49.568%0.67827%0.265SS*.THydrogen-bonded Turntrans-103.516.4-177.9-47.90000113.7Y255Y255-S257 VanDerWaalsContact C-N 3.31Å; Y255-S257 PolarHBondContact O-N 2.89Å
258K87Confident87Confident50 Ų5050.6 Ų50.622%0.21728%0.277CS..EExtended strand (participates in β ladder)trans-114.1148.9-176.1-54.8-72.7-173.9169.80111.4Y255 A291 E292 D293Y255-K258 HydrophobicContact CD1-CG 4.39Å; Y255-K258 PolarHBondContact O-N 3.47Å; K258-A291 HydrophobicContact CB-CB 3.82Å; K258-A291 HydrophobicContact CG-CB 4.21Å; K258-E292 CarbonylContact C-O 3.41Å; K258-E292 VanDerWaalsContact CA-O 3.22Å; K258-E292 WeakPolarHBondContact CA-O 3.28Å; K258-E292 WeakPolarHBondContact CB-O 3.04Å; K258-D293 VanDerWaalsContact CD-OD1 3.27Å; K258-D293 WeakPolarHBondContact CD-OD1 3.31Å; K258-D293 WeakPolarHBondContact CE-OD1 3.42Å; K258-D293 IonicContact NZ-OD1 3.88Å; K258-D293 PolarHBondContact NZ-OD1 3.34Å; K258-D293 IonicContact NZ-OD2 2.66Å; K258-D293 PolarHBondContact NZ-OD2 2.89Å
259L86.2Confident87.8Confident36 Ų3651.3 Ų51.319%0.18828%0.283CS..EExtended strand (participates in β ladder)trans-95.2140.3173.5-64.9-179.9000111.1E292 E294L259-E292 PolarHBondContact N-O 3.34Å; L259-E292 PolarHBondContact O-N 2.97Å; L259-E294 HydrophobicContact CD1-CB 3.97Å; L259-E294 HydrophobicContact CD1-CG 3.81Å; L259-E294 HydrophobicContact CG-CB 4.19Å; L259-E294 HydrophobicContact CG-CG 4.44Å
260P87.8Confident88.8Confident5 Ų548 Ų483%0.03226%0.262CS..EExtended strand (participates in β ladder)trans-76.8131.7173.133.5-36.2000110.9L234 L244 F251 L289 N290L234-P260 HydrophobicContact CB-CG 4.33Å; L234-P260 HydrophobicContact CD2-CB 3.94Å; L234-P260 HydrophobicContact CD2-CG 4.26Å; L244-P260 HydrophobicContact CD2-CB 3.32Å; L244-P260 HydrophobicContact CD2-CG 3.52Å; F251-P260 HydrophobicContact CE1-CB 3.98Å; F251-P260 HydrophobicContact CE1-CG 4.36Å; F251-P260 HydrophobicContact CE2-CB 4.17Å; F251-P260 HydrophobicContact CZ-CB 3.67Å; F251-P260 HydrophobicContact CZ-CG 4.49Å; P260-L289 HydrophobicContact CB-CD1 4.1Å; P260-N290 WeakPolarHBondContact CA-O 3.49Å
261V88.7Confident89.6Confident1 Ų146.7 Ų46.71%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-136.9131-178.3178.10000109.1R221 Y263 N290 E292R221-V261 HydrophobicContact CG-CG1 3.44Å; R221-V261 VanDerWaalsContact CG-CG1 3.44Å; V261-Y263 HydrophobicContact CG1-CD2 4.29Å; V261-Y263 HydrophobicContact CG1-CE2 3.83Å; V261-N290 PolarHBondContact N-O 3.06Å; V261-N290 PolarHBondContact O-N 2.98Å; V261-E292 HydrophobicContact CB-CG 4.02Å; V261-E292 HydrophobicContact CG2-CB 4.25Å; V261-E292 HydrophobicContact CG2-CG 3.83Å; V261-E292 WeakPolarHBondContact CG2-OE2 3.39Å
262I89.2Confident90.2Very high13 Ų1347.1 Ų47.17%0.06726%0.262CS..EExtended strand (participates in β ladder)trans-96.5128.7173.5-67.2164.4000109I222 L234 I287 S288 L289I222-I262 HydrophobicContact CB-CB 4.16Å; I222-I262 HydrophobicContact CD1-CG2 4.33Å; I222-I262 PolarHBondContact N-O 3.47Å; I222-I262 PolarHBondContact O-N 3.4Å; L234-I262 HydrophobicContact CD1-CD1 4.24Å; L234-I262 HydrophobicContact CD1-CG1 4.3Å; L234-I262 HydrophobicContact CD2-CD1 3.87Å; L234-I262 HydrophobicContact CD2-CG1 3.98Å; L234-I262 HydrophobicContact CG-CD1 4.24Å; I262-I287 HydrophobicContact CG2-CG2 3.85Å; I262-S288 CarbonylContact C-O 3.39Å; I262-S288 VanDerWaalsContact CA-O 3.31Å; I262-S288 WeakPolarHBondContact CA-O 3.33Å; I262-L289 HydrophobicContact CG1-CD1 4.01Å
263Y90.4Very high91Very high30 Ų3048.6 Ų48.612%0.11827%0.268CS..EExtended strand (participates in β ladder)trans-102.8131.4166.4-73.4-77.6000110.2L220 R221 V261 I287 S288 N290 E292L220-Y263 WeakPolarHBondContact O-CA 3.44Å; R221-Y263 HydrophobicContact CB-CD1 4.07Å; R221-Y263 HydrophobicContact CB-CE1 3.67Å; R221-Y263 VanDerWaalsContact CD-OH 3.31Å; R221-Y263 WeakPolarHBondContact CD-OH 3.49Å; R221-Y263 HydrophobicContact CG-CD1 4.18Å; R221-Y263 HydrophobicContact CG-CE1 3.52Å; R221-Y263 PolarHBondContact NE-OH 2.86Å; V261-Y263 HydrophobicContact CG1-CD2 4.29Å; V261-Y263 HydrophobicContact CG1-CE2 3.83Å; Y263-I287 CarbonylContact O-C 3.49Å; Y263-I287 VanDerWaalsContact O-CA 3.24Å; Y263-I287 WeakPolarHBondContact O-CA 3.3Å; Y263-S288 PolarHBondContact N-O 3.11Å; Y263-S288 PolarHBondContact O-N 3.41Å; Y263-N290 HydrophobicContact CD2-CB 4.27Å; Y263-N290 WeakPolarHBondContact CD2-ND2 3.3Å; Y263-N290 HydrophobicContact CE2-CB 4.25Å; Y263-E292 WeakPolarHBondContact CE2-OE1 3.43Å; Y263-E292 PolarHBondContact OH-OE1 2.71Å
264L91.1Very high91.5Very high41 Ų4143.2 Ų43.222%0.21524%0.235CC..EExtended strand (participates in β ladder)trans-112.5115.7164.4-176.2162.5000107.2K219 L220 A285 R286 I287K219-L264 CarbonylContact C-O 3.48Å; K219-L264 WeakPolarHBondContact CA-O 3.38Å; L220-L264 HydrophobicContact CB-CB 4.24Å; L220-L264 HydrophobicContact CD1-CD2 4.23Å; L220-L264 PolarHBondContact N-O 3.22Å; L220-L264 PolarHBondContact O-N 2.89Å; L264-A285 HydrophobicContact CD2-CB 4.37Å; L264-R286 WeakPolarHBondContact CA-O 3.26Å; L264-I287 HydrophobicContact CG-CG1 4.31Å
265T92.5Very high92Very high47 Ų4740.9 Ų40.929%0.28823%0.225SC..EExtended strand (participates in β ladder)trans-129.7121.8-178.3-51.60000109.5K219 R267 A285 R286K219-T265 HydrophobicContact CB-CG2 4.35Å; K219-T265 HydrophobicContact CG-CG2 4.36Å; T265-R267 PolarHBondContact O-N 3.13Å; T265-A285 CarbonylContact O-C 3.54Å; T265-A285 WeakPolarHBondContact O-CA 3.38Å; T265-R286 PolarHBondContact N-O 3.13Å; T265-R286 PolarHBondContact O-N 3.2Å
266T95.4Very high92.4Very high13 Ų1342.6 Ų42.68%0.0824%0.242CC..EExtended strand (participates in β ladder)trans-62133.2171.251.30000111H213 L218 S268 P270 I283 D284H213-T266 PolarHBondContact CE1-O 2.82Å; H213-T266 VanDerWaalsContact CE1-O 3.24Å; H213-T266 PolarHBondContact ND1-OG1 2.84Å; L218-T266 HydrophobicContact CB-CG2 3.77Å; L218-T266 WeakPolarHBondContact CB-OG1 3.49Å; L218-T266 HydrophobicContact CD1-CG2 3.88Å; L218-T266 HydrophobicContact CG-CG2 4.47Å; T266-S268 WeakPolarHBondContact CB-O 3.19Å; T266-P270 HydrophobicContact CG2-CG 4.08Å; T266-I283 HydrophobicContact CG2-CG2 4.23Å; T266-D284 CarbonylContact C-O 3.55Å; T266-D284 WeakPolarHBondContact CA-O 3.43Å
267R95.6Very high93.1Very high104 Ų10448 Ų4839%0.39225%0.25SC..SBendtrans-83.2-30.1177.7-63.9-167-62-175.52.6112.4T265 D284 R286 D308T265-R267 PolarHBondContact O-N 3.13Å; R267-D284 IonicContact CZ-OD1 2.76Å; R267-D284 IonicContact CZ-OD2 2.69Å; R267-D284 PolarHBondContact N-O 2.79Å; R267-D284 IonicContact NE-OD1 3.79Å; R267-D284 PolarHBondContact NE-OD1 3.39Å; R267-D284 IonicContact NE-OD2 3.82Å; R267-D284 VanDerWaalsContact NH2-CG 3.3Å; R267-D284 IonicContact NH2-OD1 3.59Å; R267-D284 PolarHBondContact NH2-OD1 2.87Å; R267-D284 IonicContact NH2-OD2 2.65Å; R267-D284 PolarHBondContact NH2-OD2 3.26Å; R267-D284 VanDerWaalsContact NH2-OD2 3.1Å; R267-R286 HydrophobicContact CG-CB 4.2Å; R267-D308 IonicContact CZ-OD1 3.4Å; R267-D308 IonicContact NH1-OD1 3.56Å; R267-D308 PolarHBondContact NH1-OD1 3.39Å; R267-D308 VanDerWaalsContact NH1-OD1 3.11Å; R267-D308 IonicContact NH1-OD2 2.71Å; R267-D308 PolarHBondContact NH1-OD2 3.41Å
268S96.5Very high93.8Very high54 Ų5446 Ų4638%0.37823%0.23SC..SBendtrans-135.1168.2171.858.60000109.7H213 T266 P270H213-S268 VanDerWaalsContact CE1-C 3.41Å; H213-S268 PolarHBondContact ND1-O 2.87Å; T266-S268 WeakPolarHBondContact CB-O 3.19Å; S268-P270 WeakPolarHBondContact O-CD 3.44Å
269A96.6Very high94.3Very high20 Ų2044.2 Ų44.217%0.16522%0.224CC..  trans-63.5129.7173.900000109.8H210 H213H210-A269 HydrophobicContact CB-CB 4.39Å; H213-A269 HydrophobicContact CB-CB 3.88Å; H213-A269 PolarHBondContact CD2-N 3.45Å
270P97.3Very high94.9Very high7 Ų744.2 Ų44.25%0.04523%0.225CC..  trans-56.2143.9171.6-26.635.8000111.3L209 L218 T266 S268 E282 I283L209-P270 HydrophobicContact CD1-CB 4.19Å; L209-P270 HydrophobicContact CD2-CB 4.26Å; L209-P270 HydrophobicContact CD2-CG 4.39Å; L218-P270 VanDerWaalsContact CD1-CD 3.44Å; L218-P270 HydrophobicContact CD1-CG 3.58Å; T266-P270 HydrophobicContact CG2-CG 4.08Å; S268-P270 WeakPolarHBondContact O-CD 3.44Å; P270-E282 CarbonylContact C-O 3.6Å; P270-E282 VanDerWaalsContact CA-O 3.24Å; P270-E282 WeakPolarHBondContact CA-O 3.26Å; P270-E282 WeakPolarHBondContact CB-O 3.16Å; P270-I283 HydrophobicContact CB-CG1 4.12Å; P270-I283 HydrophobicContact CG-CG1 4.38Å
271V97.6Very high95.4Very high52 Ų5245.6 Ų45.632%0.31523%0.233SC..EExtended strand (participates in β ladder)trans-114.5131.5-176.5-173.40000109H273 V281 E282V271-H273 VanDerWaalsContact CG1-CE1 3.43Å; V271-H273 WeakPolarHBondContact CG1-CE1 3.27Å; V271-H273 WeakPolarHBondContact CG1-NE2 3.26Å; V271-V281 CarbonylContact O-C 3.57Å; V271-V281 WeakPolarHBondContact O-CA 3.06Å; V271-E282 PolarHBondContact N-O 2.82Å; V271-E282 PolarHBondContact O-N 2.95Å
272V97.8Very high95.8Very high10 Ų1048.7 Ų48.76%0.06125%0.248CC..EExtended strand (participates in β ladder)trans-104.8128.5172.41790000107.7E202 P205 N206 L209 I274 V279 T280 V281E202-V272 WeakPolarHBondContact CG-O 3.2Å; P205-V272 HydrophobicContact CB-CB 4.39Å; P205-V272 HydrophobicContact CB-CG2 4.14Å; P205-V272 HydrophobicContact CG-CB 4.2Å; P205-V272 HydrophobicContact CG-CG1 4.1Å; P205-V272 HydrophobicContact CG-CG2 4.48Å; N206-V272 PolarHBondContact ND2-O 3.25Å; N206-V272 PolarHBondContact OD1-N 3.4Å; N206-V272 PolarHBondContact OD1-O 3.29Å; L209-V272 HydrophobicContact CD1-CG2 3.46Å; L209-V272 VanDerWaalsContact CD1-CG2 3.46Å; V272-I274 HydrophobicContact CG1-CD1 4.4Å; V272-I274 HydrophobicContact CG1-CG1 3.95Å; V272-V279 HydrophobicContact CG1-CG1 3.59Å; V272-T280 CarbonylContact C-O 3.53Å; V272-T280 WeakPolarHBondContact CA-O 3.41Å; V272-V281 HydrophobicContact CG2-CG1 4.37Å; V272-V281 HydrophobicContact CG2-CG2 4.2Å
273H97.6Very high96.2Very high82 Ų8250.1 Ų50.138%0.3826%0.255SS..EExtended strand (participates in β ladder)trans-114138.3166.6-59.2-64000109.7E202 V271 V279 T280E202-H273 IonicContact OE1-ND1 3.76Å; E202-H273 VanDerWaalsContact OE2-CA 3.26Å; E202-H273 WeakPolarHBondContact OE2-CA 3.4Å; V271-H273 VanDerWaalsContact CG1-CE1 3.43Å; V271-H273 WeakPolarHBondContact CG1-CE1 3.27Å; V271-H273 WeakPolarHBondContact CG1-NE2 3.26Å; H273-V279 CarbonylContact O-C 3.58Å; H273-V279 WeakPolarHBondContact O-CA 3.26Å; H273-T280 WeakPolarHBondContact CB-OG1 3.46Å; H273-T280 PolarHBondContact N-O 3.41Å; H273-T280 PolarHBondContact O-N 2.82Å
274I97.1Very high96.5Very high5 Ų549.9 Ų49.93%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-122.3114.9-178.3-52-176.7000107.6E202 V272 V279 L389 K392 A393 I394E202-I274 HydrophobicContact CB-CB 4.41Å; E202-I274 HydrophobicContact CB-CD1 3.97Å; E202-I274 HydrophobicContact CB-CG1 4.06Å; E202-I274 HydrophobicContact CG-CD1 4.46Å; E202-I274 HydrophobicContact CG-CG1 4.17Å; E202-I274 PolarHBondContact OE2-N 3.11Å; V272-I274 HydrophobicContact CG1-CD1 4.4Å; V272-I274 HydrophobicContact CG1-CG1 3.95Å; I274-V279 HydrophobicContact CG1-CG1 4.4Å; I274-V279 HydrophobicContact CG1-CG2 4.35Å; I274-V279 HydrophobicContact CG2-CG2 4.3Å; I274-L389 HydrophobicContact CG2-CD2 4.1Å; I274-K392 WeakPolarHBondContact O-CA 3.45Å; I274-K392 PolarHBondContact O-N 2.96Å; I274-A393 VanDerWaalsContact CG2-O 3.3Å; I274-A393 WeakPolarHBondContact CG2-O 3.5Å; I274-I394 HydrophobicContact CD1-CD1 4.08Å; I274-I394 HydrophobicContact CD1-CG1 3.88Å; I274-I394 HydrophobicContact CG2-CG1 3.94Å
275D95.3Very high96.7Very high46 Ų4648 Ų4825%0.24625%0.246CC..  trans-122.2164.9173.872.762.1000110R277 M278 L389D275-R277 PolarHBondContact O-N 2.89Å; D275-R277 VanDerWaalsContact OD1-CA 3.3Å; D275-R277 WeakPolarHBondContact OD1-CA 3.38Å; D275-R277 VanDerWaalsContact OD1-CB 3.22Å; D275-R277 WeakPolarHBondContact OD1-CB 3.17Å; D275-R277 PolarHBondContact OD1-N 3.31Å; D275-M278 PolarHBondContact N-O 3.36Å; D275-M278 PolarHBondContact O-N 3.06Å; D275-M278 PolarHBondContact OD1-N 3.32Å; D275-L389 VanDerWaalsContact O-CB 3.29Å; D275-L389 WeakPolarHBondContact O-CB 3.26Å
276P95.4Very high96.8Very high85 Ų8549.8 Ų49.855%0.55225%0.247SC*.SBendtrans-59.3-11.2-177.3-27.136000116.4
277R96.8Very high96.6Very high211 Ų21149.8 Ų49.880%0.79625%0.247SC*.SBendtrans-102.1-41.1-179.3-54.3178.3177.9-178.6-0.5111.8D275D275-R277 PolarHBondContact O-N 2.89Å; D275-R277 VanDerWaalsContact OD1-CA 3.3Å; D275-R277 WeakPolarHBondContact OD1-CA 3.38Å; D275-R277 VanDerWaalsContact OD1-CB 3.22Å; D275-R277 WeakPolarHBondContact OD1-CB 3.17Å; D275-R277 PolarHBondContact OD1-N 3.31Å
278M97.8Very high96.4Very high54 Ų5445.2 Ų45.227%0.26623%0.231SC..  trans-157.8164.1-174.758.2-172.3160.400113.4D275 T280 V316 L329D275-M278 PolarHBondContact N-O 3.36Å; D275-M278 PolarHBondContact O-N 3.06Å; D275-M278 PolarHBondContact OD1-N 3.32Å; M278-T280 HydrophobicContact CE-CG2 4.33Å; M278-T280 HydrophobicContact CG-CG2 4Å; M278-T280 HydrophobicContact SD-CG2 4.13Å; M278-V316 HydrophobicContact CB-CG2 4.45Å; M278-L329 HydrophobicContact CB-CD1 3.96Å; M278-L329 HydrophobicContact SD-CD1 4.03Å
279V98.3Very high96.1Very high13 Ų1343.3 Ų43.38%0.07922%0.216CC..EExtended strand (participates in β ladder)trans-98125.4164.5179.30000107.6V272 H273 I274 S314 V315 P317 L389 I394V272-V279 HydrophobicContact CG1-CG1 3.59Å; H273-V279 CarbonylContact O-C 3.58Å; H273-V279 WeakPolarHBondContact O-CA 3.26Å; I274-V279 HydrophobicContact CG1-CG1 4.4Å; I274-V279 HydrophobicContact CG1-CG2 4.35Å; I274-V279 HydrophobicContact CG2-CG2 4.3Å; V279-S314 CarbonylContact O-C 3.55Å; V279-S314 WeakPolarHBondContact O-CA 3.08Å; V279-V315 HydrophobicContact CB-CG2 3.92Å; V279-V315 HydrophobicContact CG1-CG2 4.4Å; V279-V315 PolarHBondContact N-O 3.36Å; V279-V315 PolarHBondContact O-N 3.49Å; V279-P317 HydrophobicContact CG2-CG 4.44Å; V279-L389 HydrophobicContact CG2-CD2 3.7Å; V279-I394 HydrophobicContact CG2-CD1 4.12Å
280T98.4Very high95.8Very high35 Ų3542.9 Ų42.922%0.21521%0.211CC..EExtended strand (participates in β ladder)trans-109.9135174.164.30000110.6V272 H273 M278 A313V272-T280 CarbonylContact C-O 3.53Å; V272-T280 WeakPolarHBondContact CA-O 3.41Å; H273-T280 WeakPolarHBondContact CB-OG1 3.46Å; H273-T280 PolarHBondContact N-O 3.41Å; H273-T280 PolarHBondContact O-N 2.82Å; M278-T280 HydrophobicContact CE-CG2 4.33Å; M278-T280 HydrophobicContact CG-CG2 4Å; M278-T280 HydrophobicContact SD-CG2 4.13Å; T280-A313 CarbonylContact C-O 3.56Å; T280-A313 VanDerWaalsContact CA-O 3.29Å; T280-A313 WeakPolarHBondContact CA-O 3.44Å
281V98.1Very high95.4Very high35 Ų3542.5 Ų42.521%0.21221%0.209CC..EExtended strand (participates in β ladder)trans-116.1120.9175.9-170.40000108.6V271 V272 I283 F312 A313V271-V281 CarbonylContact O-C 3.57Å; V271-V281 WeakPolarHBondContact O-CA 3.06Å; V272-V281 HydrophobicContact CG2-CG1 4.37Å; V272-V281 HydrophobicContact CG2-CG2 4.2Å; V281-I283 HydrophobicContact CG1-CD1 4.49Å; V281-I283 HydrophobicContact CG1-CG1 4.16Å; V281-F312 CarbonylContact O-C 3.6Å; V281-F312 WeakPolarHBondContact O-CA 3.45Å; V281-A313 PolarHBondContact N-O 2.87Å; V281-A313 PolarHBondContact O-N 2.93Å
282E98Very high95Very high66 Ų6640.8 Ų40.831%0.30820%0.197SC..EExtended strand (participates in β ladder)trans-102.5130.5172.6-178.9172.2172.100110P270 V271 F312P270-E282 CarbonylContact C-O 3.6Å; P270-E282 VanDerWaalsContact CA-O 3.24Å; P270-E282 WeakPolarHBondContact CA-O 3.26Å; P270-E282 WeakPolarHBondContact CB-O 3.16Å; V271-E282 PolarHBondContact N-O 2.82Å; V271-E282 PolarHBondContact O-N 2.95Å; E282-F312 HydrophobicContact CB-CD1 4.17Å; E282-F312 HydrophobicContact CB-CE1 4.14Å; E282-F312 HydrophobicContact CG-CD1 4.05Å; E282-F312 HydrophobicContact CG-CE1 3.59Å; E282-F312 HydrophobicContact CG-CZ 4.25Å
283I97Very high94.4Very high43 Ų4342 Ų4222%0.22120%0.203CC..EExtended strand (participates in β ladder)trans-127.2120.6179.3-56.1171.8000108.2T266 P270 V281 A285 K310 A311 F360T266-I283 HydrophobicContact CG2-CG2 4.23Å; P270-I283 HydrophobicContact CB-CG1 4.12Å; P270-I283 HydrophobicContact CG-CG1 4.38Å; V281-I283 HydrophobicContact CG1-CD1 4.49Å; V281-I283 HydrophobicContact CG1-CG1 4.16Å; I283-A285 HydrophobicContact CG2-CB 4.2Å; I283-K310 WeakPolarHBondContact O-CA 3.37Å; I283-A311 HydrophobicContact CB-CB 4.31Å; I283-A311 PolarHBondContact N-O 3.21Å; I283-A311 PolarHBondContact O-N 3.38Å; I283-F360 HydrophobicContact CD1-CE2 4.23Å
284D96.7Very high93.2Very high24 Ų2444 Ų4413%0.12821%0.213CC..EExtended strand (participates in β ladder)trans-104.4118.4167.6-166.3-25.5000109T266 R267T266-D284 CarbonylContact C-O 3.55Å; T266-D284 WeakPolarHBondContact CA-O 3.43Å; R267-D284 IonicContact CZ-OD1 2.76Å; R267-D284 IonicContact CZ-OD2 2.69Å; R267-D284 PolarHBondContact N-O 2.79Å; R267-D284 IonicContact NE-OD1 3.79Å; R267-D284 PolarHBondContact NE-OD1 3.39Å; R267-D284 IonicContact NE-OD2 3.82Å; R267-D284 VanDerWaalsContact NH2-CG 3.3Å; R267-D284 IonicContact NH2-OD1 3.59Å; R267-D284 PolarHBondContact NH2-OD1 2.87Å; R267-D284 IonicContact NH2-OD2 2.65Å; R267-D284 PolarHBondContact NH2-OD2 3.26Å; R267-D284 VanDerWaalsContact NH2-OD2 3.1Å
285A95.8Very high91.9Very high1 Ų150.5 Ų50.51%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-142.8159.8-17400000113.1L264 T265 I283 I309L264-A285 HydrophobicContact CD2-CB 4.37Å; T265-A285 CarbonylContact O-C 3.54Å; T265-A285 WeakPolarHBondContact O-CA 3.38Å; I283-A285 HydrophobicContact CG2-CB 4.2Å; A285-I309 HydrophobicContact CB-CD1 4.14Å; A285-I309 HydrophobicContact CB-CG1 3.89Å; A285-I309 PolarHBondContact N-O 3.15Å; A285-I309 VanDerWaalsContact O-CG1 3.3Å; A285-I309 WeakPolarHBondContact O-CG1 3.33Å; A285-I309 PolarHBondContact O-N 2.88Å
286R94.1Very high90.5Very high85 Ų8554.9 Ų54.932%0.32126%0.261SS..EExtended strand (participates in β ladder)trans-112129.4170.3-178179179.2162.72108.7L264 T265 R267 E303 T306L264-R286 WeakPolarHBondContact CA-O 3.26Å; T265-R286 PolarHBondContact N-O 3.13Å; T265-R286 PolarHBondContact O-N 3.2Å; R267-R286 HydrophobicContact CG-CB 4.2Å; R286-E303 IonicContact CZ-OE1 2.65Å; R286-E303 IonicContact CZ-OE2 2.76Å; R286-E303 IonicContact NE-OE2 3.52Å; R286-E303 IonicContact NH2-OE1 3.08Å; R286-E303 PolarHBondContact NH2-OE1 3.15Å; R286-E303 IonicContact NH2-OE2 3.41Å; R286-E303 PolarHBondContact NH2-OE2 2.85Å; R286-T306 HydrophobicContact CG-CG2 3.87Å; R286-T306 PolarHBondContact NE-OG1 2.79Å; R286-T306 PolarHBondContact NH2-OG1 2.69Å
287I92.1Very high88.5Confident13 Ų1355 Ų557%0.06726%0.264CS..EExtended strand (participates in β ladder)trans-104.2123.9168.1-62.2174.6000106.9I262 Y263 L264 T306 L307 I309 L356I262-I287 HydrophobicContact CG2-CG2 3.85Å; Y263-I287 CarbonylContact O-C 3.49Å; Y263-I287 VanDerWaalsContact O-CA 3.24Å; Y263-I287 WeakPolarHBondContact O-CA 3.3Å; L264-I287 HydrophobicContact CG-CG1 4.31Å; I287-T306 WeakPolarHBondContact O-CA 3.43Å; I287-L307 HydrophobicContact CB-CB 4.4Å; I287-L307 PolarHBondContact N-O 3.27Å; I287-L307 PolarHBondContact O-N 2.75Å; I287-I309 HydrophobicContact CD1-CD1 3.74Å; I287-I309 HydrophobicContact CD1-CG1 4.31Å; I287-I309 HydrophobicContact CD1-CG2 4.19Å; I287-I309 HydrophobicContact CG1-CD1 4.16Å; I287-I309 HydrophobicContact CG1-CG1 4.41Å; I287-L356 HydrophobicContact CD1-CD1 3.87Å; I287-L356 HydrophobicContact CD1-CD2 3.89Å; I287-L356 HydrophobicContact CD1-CG 4.41Å
288S90.8Very high86.4Confident9 Ų949.8 Ų49.86%0.06325%0.252CS..EExtended strand (participates in β ladder)trans-126135.5174.678.40000110.5I262 Y263 N290 L305I262-S288 CarbonylContact C-O 3.39Å; I262-S288 VanDerWaalsContact CA-O 3.31Å; I262-S288 WeakPolarHBondContact CA-O 3.33Å; Y263-S288 PolarHBondContact N-O 3.11Å; Y263-S288 PolarHBondContact O-N 3.41Å; S288-N290 WeakPolarHBondContact CB-OD1 3.36Å; S288-N290 PolarHBondContact OG-OD1 3.28Å; S288-L305 CarbonylContact C-O 3.52Å; S288-L305 VanDerWaalsContact CA-O 3.32Å; S288-L305 WeakPolarHBondContact CA-O 3.45Å
289L89.2Confident84.8Confident13 Ų1354.8 Ų54.87%0.06828%0.28CS..EExtended strand (participates in β ladder)trans-93.5122.6166.3175.367.9000107.9L234 L244 L248 P260 I262 V304 L305L234-L289 HydrophobicContact CD2-CD1 4.07Å; L244-L289 HydrophobicContact CD1-CD2 3.82Å; L248-L289 HydrophobicContact CD1-CD2 3.29Å; P260-L289 HydrophobicContact CB-CD1 4.1Å; I262-L289 HydrophobicContact CG1-CD1 4.01Å; L289-V304 HydrophobicContact CD2-CB 4.43Å; L289-V304 HydrophobicContact CD2-CG1 4.23Å; L289-V304 HydrophobicContact CG-CB 4.42Å; L289-V304 WeakPolarHBondContact O-CB 3.35Å; L289-V304 PolarHBondContact O-N 2.85Å; L289-L305 HydrophobicContact CB-CB 4.19Å; L289-L305 PolarHBondContact N-O 3.16Å; L289-L305 PolarHBondContact O-N 2.78Å
290N90.3Very high83.3Confident11 Ų1158.9 Ų58.96%0.05930%0.304CS..EExtended strand (participates in β ladder)trans-121.3147.9-178.1-64.511000110.6P260 V261 Y263 S288 E292 A302P260-N290 WeakPolarHBondContact CA-O 3.49Å; V261-N290 PolarHBondContact N-O 3.06Å; V261-N290 PolarHBondContact O-N 2.98Å; Y263-N290 HydrophobicContact CD2-CB 4.27Å; Y263-N290 WeakPolarHBondContact CD2-ND2 3.3Å; Y263-N290 HydrophobicContact CE2-CB 4.25Å; S288-N290 WeakPolarHBondContact CB-OD1 3.36Å; S288-N290 PolarHBondContact OG-OD1 3.28Å; N290-E292 HydrophobicContact CB-CG 4.47Å; N290-A302 CarbonylContact C-O 3.55Å; N290-A302 VanDerWaalsContact CA-O 3.25Å; N290-A302 WeakPolarHBondContact CA-O 3.45Å
291A90.4Very high82.4Confident0 Ų060 Ų600%031%0.311CS..EExtended strand (participates in β ladder)trans-93.9117.7165.200000109.2F251 Y255 K258 T301 A302 V304F251-A291 HydrophobicContact CE2-CB 3.81Å; F251-A291 HydrophobicContact CZ-CB 3.69Å; Y255-A291 HydrophobicContact CD1-CB 3.86Å; Y255-A291 HydrophobicContact CD2-CB 4.02Å; Y255-A291 HydrophobicContact CE1-CB 4.34Å; Y255-A291 HydrophobicContact CE2-CB 4.48Å; Y255-A291 HydrophobicContact CG-CB 3.68Å; K258-A291 HydrophobicContact CB-CB 3.82Å; K258-A291 HydrophobicContact CG-CB 4.21Å; A291-T301 WeakPolarHBondContact O-CA 3.48Å; A291-A302 HydrophobicContact CB-CB 4.4Å; A291-A302 PolarHBondContact N-O 2.98Å; A291-A302 PolarHBondContact O-N 2.82Å; A291-V304 HydrophobicContact CB-CG2 4.35Å
292E88.5Confident81.9Confident15 Ų1559.9 Ų59.97%0.0731%0.314CS..EExtended strand (participates in β ladder)trans-118.2151.7-179.2-52.9-159.314300112.3R221 K258 L259 V261 Y263 N290 T301R221-E292 IonicContact CZ-OE2 3.9Å; R221-E292 IonicContact NE-OE2 2.69Å; R221-E292 PolarHBondContact NE-OE2 2.94Å; R221-E292 IonicContact NH2-OE2 2.74Å; R221-E292 PolarHBondContact NH2-OE2 3.08Å; K258-E292 CarbonylContact C-O 3.41Å; K258-E292 VanDerWaalsContact CA-O 3.22Å; K258-E292 WeakPolarHBondContact CA-O 3.28Å; K258-E292 WeakPolarHBondContact CB-O 3.04Å; L259-E292 PolarHBondContact N-O 3.34Å; L259-E292 PolarHBondContact O-N 2.97Å; V261-E292 HydrophobicContact CB-CG 4.02Å; V261-E292 HydrophobicContact CG2-CB 4.25Å; V261-E292 HydrophobicContact CG2-CG 3.83Å; V261-E292 WeakPolarHBondContact CG2-OE2 3.39Å; Y263-E292 WeakPolarHBondContact CE2-OE1 3.43Å; Y263-E292 PolarHBondContact OH-OE1 2.71Å; N290-E292 HydrophobicContact CB-CG 4.47Å; E292-T301 HydrophobicContact CG-CG2 3.75Å; E292-T301 WeakPolarHBondContact OE1-CG2 3.49Å
293D84.5Confident81.4Confident35 Ų3559.1 Ų59.119%0.18731%0.31CS..EExtended strand (participates in β ladder)trans-64.5139.4168.8-73.5-50.4000111.6K258 D295 R296K258-D293 VanDerWaalsContact CD-OD1 3.27Å; K258-D293 WeakPolarHBondContact CD-OD1 3.31Å; K258-D293 WeakPolarHBondContact CE-OD1 3.42Å; K258-D293 IonicContact NZ-OD1 3.88Å; K258-D293 PolarHBondContact NZ-OD1 3.34Å; K258-D293 IonicContact NZ-OD2 2.66Å; K258-D293 PolarHBondContact NZ-OD2 2.89Å; D293-D295 VanDerWaalsContact C-N 3.31Å; D293-D295 PolarHBondContact O-N 2.57Å; D293-R296 PolarHBondContact O-N 2.86Å
294E73.2Confident81Confident124 Ų12457.1 Ų57.158%0.57930%0.3SS*.THydrogen-bonded Turntrans-60.6-41177.2-175.6154.1-141.700111.8K224 L259 R296K224-E294 IonicContact NZ-OE1 3.85Å; L259-E294 HydrophobicContact CD1-CB 3.97Å; L259-E294 HydrophobicContact CD1-CG 3.81Å; L259-E294 HydrophobicContact CG-CB 4.19Å; L259-E294 HydrophobicContact CG-CG 4.44Å; E294-R296 VanDerWaalsContact C-N 3.27Å; E294-R296 PolarHBondContact O-N 2.99Å
295D69.1Low80.6Confident142 Ų14256.2 Ų56.276%0.75930%0.295SS*.THydrogen-bonded Turntrans-77.6-5.9-178.9-70.2-31000114.3D293 S297D293-D295 VanDerWaalsContact C-N 3.31Å; D293-D295 PolarHBondContact O-N 2.57Å; D295-S297 PolarHBondContact O-N 2.86Å
296R65.3Low80.3Confident138 Ų13856.2 Ų56.252%0.52130%0.295SS..  trans48.916.8-173.1-56-177.5-179.6170.94.7114.4R135 D293 E294 N298R135-R296 VanDerWaalsContact NH1-NH2 3.17Å; D293-R296 PolarHBondContact O-N 2.86Å; E294-R296 VanDerWaalsContact C-N 3.27Å; E294-R296 PolarHBondContact O-N 2.99Å; R296-N298 VanDerWaalsContact C-N 3.26Å; R296-N298 PolarHBondContact O-N 2.86Å
297S55Low80.2Confident87 Ų8752.3 Ų52.361%0.60828%0.281SS*.  trans-67-32.7-172.752.50000111.2D295D295-S297 PolarHBondContact O-N 2.86Å
298N53.1Low80.3Confident103 Ų10352.4 Ų52.455%0.55128%0.281SS*.SBendtrans-116.9125.2171.7-68.5-29.9000108.9R296 V300R296-N298 VanDerWaalsContact C-N 3.26Å; R296-N298 PolarHBondContact O-N 2.86Å; N298-V300 HydrophobicContact CB-CB 4.47Å; N298-V300 HydrophobicContact CB-CG2 4.16Å; N298-V300 PolarHBondContact O-N 3.22Å
299N62.5Low80.5Confident159 Ų15952.3 Ų52.385%0.8528%0.28SS*.  trans-67.921.6173.1-77.2-30.3000113.2T301N299-T301 PolarHBondContact O-N 3.1Å
300V67.1Low80.8Confident98 Ų9855.2 Ų55.259%0.59429%0.292SS*.  trans-83102.3-178.4-178.70000108.2N298N298-V300 HydrophobicContact CB-CB 4.47Å; N298-V300 HydrophobicContact CB-CG2 4.16Å; N298-V300 PolarHBondContact O-N 3.22Å
301T80.1Confident81.1Confident59 Ų5954.8 Ų54.836%0.36229%0.29SS..  trans-106.4128.1174.966.90000109.1A291 E292 N299A291-T301 WeakPolarHBondContact O-CA 3.48Å; E292-T301 HydrophobicContact CG-CG2 3.75Å; E292-T301 WeakPolarHBondContact OE1-CG2 3.49Å; N299-T301 PolarHBondContact O-N 3.1Å
302A86.6Confident81.5Confident32 Ų3258.3 Ų58.326%0.26431%0.306SS..EExtended strand (participates in β ladder)trans-89.9122.4168.600000108.8Y255 N290 A291Y255-A302 HydrophobicContact CD1-CB 4.32Å; Y255-A302 HydrophobicContact CE1-CB 3.46Å; Y255-A302 VanDerWaalsContact CE1-CB 3.46Å; N290-A302 CarbonylContact C-O 3.55Å; N290-A302 VanDerWaalsContact CA-O 3.25Å; N290-A302 WeakPolarHBondContact CA-O 3.45Å; A291-A302 HydrophobicContact CB-CB 4.4Å; A291-A302 PolarHBondContact N-O 2.98Å; A291-A302 PolarHBondContact O-N 2.82Å
303E88.6Confident81.9Confident50 Ų5058 Ų5823%0.23431%0.305CS..EExtended strand (participates in β ladder)trans-78.8126.5174.8-171.4176.7102.700109.5R286 T306R286-E303 IonicContact CZ-OE1 2.65Å; R286-E303 IonicContact CZ-OE2 2.76Å; R286-E303 IonicContact NE-OE2 3.52Å; R286-E303 IonicContact NH2-OE1 3.08Å; R286-E303 PolarHBondContact NH2-OE1 3.15Å; R286-E303 IonicContact NH2-OE2 3.41Å; R286-E303 PolarHBondContact NH2-OE2 2.85Å; E303-T306 PolarHBondContact OE1-OG1 3.05Å; E303-T306 PolarHBondContact OE2-OG1 3.15Å
304V88.2Confident82.6Confident1 Ų157.1 Ų57.11%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-103.1-43.4-172.6172.50000111.2L248 F251 Y255 L289 A291 M341 L342L248-V304 HydrophobicContact CD1-CG1 4.06Å; F251-V304 HydrophobicContact CD2-CG1 4.4Å; F251-V304 HydrophobicContact CD2-CG2 4.17Å; F251-V304 HydrophobicContact CE2-CG2 3.97Å; Y255-V304 HydrophobicContact CD2-CG2 4.29Å; Y255-V304 HydrophobicContact CE2-CG2 3.72Å; L289-V304 HydrophobicContact CD2-CB 4.43Å; L289-V304 HydrophobicContact CD2-CG1 4.23Å; L289-V304 HydrophobicContact CG-CB 4.42Å; L289-V304 WeakPolarHBondContact O-CB 3.35Å; L289-V304 PolarHBondContact O-N 2.85Å; A291-V304 HydrophobicContact CB-CG2 4.35Å; V304-M341 PolarHBondContact O-N 3.14Å; V304-L342 HydrophobicContact CG1-CD1 3.47Å; V304-L342 VanDerWaalsContact CG1-CD1 3.47Å; V304-L342 HydrophobicContact CG1-CG 3.92Å
305L87.6Confident83.8Confident5 Ų552.3 Ų52.33%0.02628%0.281CS..EExtended strand (participates in β ladder)trans-147134.2-176.8168.465.4000108.7F247 S288 L289 L307 Q338 D340 L352F247-L305 HydrophobicContact CE1-CD2 3.81Å; F247-L305 HydrophobicContact CZ-CD2 3.75Å; S288-L305 CarbonylContact C-O 3.52Å; S288-L305 VanDerWaalsContact CA-O 3.32Å; S288-L305 WeakPolarHBondContact CA-O 3.45Å; L289-L305 HydrophobicContact CB-CB 4.19Å; L289-L305 PolarHBondContact N-O 3.16Å; L289-L305 PolarHBondContact O-N 2.78Å; L305-L307 HydrophobicContact CD1-CD2 4.36Å; L305-Q338 HydrophobicContact CD1-CG 4.45Å; L305-D340 WeakPolarHBondContact CD1-OD1 3.3Å; L305-L352 HydrophobicContact CD2-CD2 3.64Å
306T90.9Very high85.2Confident2 Ų247.8 Ų47.81%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-126.1132.8173.9-82.50000111.1R286 I287 E303 Q338 R339R286-T306 HydrophobicContact CG-CG2 3.87Å; R286-T306 PolarHBondContact NE-OG1 2.79Å; R286-T306 PolarHBondContact NH2-OG1 2.69Å; I287-T306 WeakPolarHBondContact O-CA 3.43Å; E303-T306 PolarHBondContact OE1-OG1 3.05Å; E303-T306 PolarHBondContact OE2-OG1 3.15Å; T306-Q338 WeakPolarHBondContact O-CA 3.25Å; T306-R339 PolarHBondContact N-O 2.87Å; T306-R339 PolarHBondContact O-N 2.84Å
307L91.3Very high86.7Confident3 Ų341.8 Ų41.82%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-121.6121.5172.1-59.4174.6000109I287 L305 Q338 V349 L352 V353 L356I287-L307 HydrophobicContact CB-CB 4.4Å; I287-L307 PolarHBondContact N-O 3.27Å; I287-L307 PolarHBondContact O-N 2.75Å; L305-L307 HydrophobicContact CD1-CD2 4.36Å; L307-Q338 HydrophobicContact CD2-CB 4.09Å; L307-Q338 HydrophobicContact CD2-CG 4Å; L307-V349 HydrophobicContact CD2-CG1 4.26Å; L307-L352 HydrophobicContact CD1-CD2 4.09Å; L307-V353 HydrophobicContact CD1-CG2 4.25Å; L307-L356 HydrophobicContact CD1-CD1 3.72Å
308D93.8Very high88.6Confident14 Ų1441.7 Ų41.78%0.07522%0.224CC..EExtended strand (participates in β ladder)trans-86.9131.2165.8-70.7-37.8000109R267 T335 T336 T337R267-D308 IonicContact CZ-OD1 3.4Å; R267-D308 IonicContact NH1-OD1 3.56Å; R267-D308 PolarHBondContact NH1-OD1 3.39Å; R267-D308 VanDerWaalsContact NH1-OD1 3.11Å; R267-D308 IonicContact NH1-OD2 2.71Å; R267-D308 PolarHBondContact NH1-OD2 3.41Å; D308-T335 CarbonylContact O-C 3.52Å; D308-T335 WeakPolarHBondContact O-CA 3.35Å; D308-T336 VanDerWaalsContact CB-OG1 3.32Å; D308-T336 WeakPolarHBondContact CB-OG1 3.13Å; D308-T336 PolarHBondContact O-N 2.92Å; D308-T336 PolarHBondContact O-OG1 3.46Å; D308-T337 PolarHBondContact N-O 3.18Å; D308-T337 VanDerWaalsContact OD2-CB 3.28Å; D308-T337 WeakPolarHBondContact OD2-CB 3.38Å; D308-T337 PolarHBondContact OD2-OG1 2.75Å
309I94.4Very high90.6Very high8 Ų837.9 Ų37.94%0.04120%0.204CC..EExtended strand (participates in β ladder)trans-125.7146.4-177.562.5159.1000112.2A285 I287 M333 K334 T335A285-I309 HydrophobicContact CB-CD1 4.14Å; A285-I309 HydrophobicContact CB-CG1 3.89Å; A285-I309 PolarHBondContact N-O 3.15Å; A285-I309 VanDerWaalsContact O-CG1 3.3Å; A285-I309 WeakPolarHBondContact O-CG1 3.33Å; A285-I309 PolarHBondContact O-N 2.88Å; I287-I309 HydrophobicContact CD1-CD1 3.74Å; I287-I309 HydrophobicContact CD1-CG1 4.31Å; I287-I309 HydrophobicContact CD1-CG2 4.19Å; I287-I309 HydrophobicContact CG1-CD1 4.16Å; I287-I309 HydrophobicContact CG1-CG1 4.41Å; I309-M333 HydrophobicContact CB-CG 4.12Å; I309-M333 HydrophobicContact CB-SD 4.33Å; I309-M333 HydrophobicContact CD1-CG 4.19Å; I309-M333 HydrophobicContact CD1-SD 3.84Å; I309-M333 HydrophobicContact CG2-CG 4.32Å; I309-M333 HydrophobicContact CG2-SD 4.07Å; I309-K334 CarbonylContact C-O 3.55Å; I309-K334 VanDerWaalsContact CA-O 3.31Å; I309-K334 WeakPolarHBondContact CA-O 3.16Å; I309-T335 HydrophobicContact CG2-CG2 4.03Å
310K96.4Very high92Very high74 Ų7435.3 Ų35.332%0.32219%0.187SC..EExtended strand (participates in β ladder)trans-117.8122.7162.2-69.2-167.8173.5-157.50108.8I283 F312 M333 K334 T336I283-K310 WeakPolarHBondContact O-CA 3.37Å; K310-F312 HydrophobicContact CB-CE2 4.01Å; K310-F312 HydrophobicContact CB-CZ 4.4Å; K310-M333 WeakPolarHBondContact O-CA 3.39Å; K310-K334 PolarHBondContact N-O 2.95Å; K310-K334 PolarHBondContact O-N 3.31Å; K310-T336 HydrophobicContact CB-CG2 4.47Å; K310-T336 HydrophobicContact CD-CG2 4.12Å; K310-T336 HydrophobicContact CG-CG2 3.9Å
311A96.8Very high93Very high2 Ų233.4 Ų33.42%0.01719%0.187CC..EExtended strand (participates in β ladder)trans-120.2142.1-179.700000110.9I283 T332 M333 F360I283-A311 HydrophobicContact CB-CB 4.31Å; I283-A311 PolarHBondContact N-O 3.21Å; I283-A311 PolarHBondContact O-N 3.38Å; A311-T332 CarbonylContact C-O 3.52Å; A311-T332 VanDerWaalsContact CA-O 3.26Å; A311-T332 WeakPolarHBondContact CA-O 3.45Å; A311-M333 HydrophobicContact CB-CB 4.28Å; A311-M333 HydrophobicContact CB-CG 4.18Å; A311-F360 HydrophobicContact CB-CD1 4.41Å; A311-F360 HydrophobicContact CB-CD2 4.41Å; A311-F360 HydrophobicContact CB-CE1 3.89Å; A311-F360 HydrophobicContact CB-CE2 3.9Å; A311-F360 HydrophobicContact CB-CZ 3.61Å
312F97.7Very high93.4Very high74 Ų7432.8 Ų32.833%0.32518%0.181SC..EExtended strand (participates in β ladder)trans-130.9132.4-178.4-57.5-91000109V281 E282 K310 A331 T332V281-F312 CarbonylContact O-C 3.6Å; V281-F312 WeakPolarHBondContact O-CA 3.45Å; E282-F312 HydrophobicContact CB-CD1 4.17Å; E282-F312 HydrophobicContact CB-CE1 4.14Å; E282-F312 HydrophobicContact CG-CD1 4.05Å; E282-F312 HydrophobicContact CG-CE1 3.59Å; E282-F312 HydrophobicContact CG-CZ 4.25Å; K310-F312 HydrophobicContact CB-CE2 4.01Å; K310-F312 HydrophobicContact CB-CZ 4.4Å; F312-A331 CarbonylContact O-C 3.56Å; F312-A331 WeakPolarHBondContact O-CA 3.32Å; F312-T332 PolarHBondContact N-O 3.08Å; F312-T332 PolarHBondContact O-N 3.03Å
313A98.2Very high93.7Very high7 Ų735.8 Ų35.86%0.05819%0.186CC..EExtended strand (participates in β ladder)trans-127.7128.9172.200000110T280 V281 S330 F360 V364T280-A313 CarbonylContact C-O 3.56Å; T280-A313 VanDerWaalsContact CA-O 3.29Å; T280-A313 WeakPolarHBondContact CA-O 3.44Å; V281-A313 PolarHBondContact N-O 2.87Å; V281-A313 PolarHBondContact O-N 2.93Å; A313-S330 WeakPolarHBondContact CA-O 3.29Å; A313-F360 HydrophobicContact CB-CZ 4.4Å; A313-V364 HydrophobicContact CB-CG1 3.95Å; A313-V364 HydrophobicContact CB-CG2 4.28Å
314S98.4Very high93.9Very high17 Ų1735.5 Ų35.512%0.11919%0.185CC..EExtended strand (participates in β ladder)trans-111.3125.1174.4-63.30000109.4V279 L329 S330V279-S314 CarbonylContact O-C 3.55Å; V279-S314 WeakPolarHBondContact O-CA 3.08Å; S314-L329 WeakPolarHBondContact O-CB 3.42Å; S314-L329 PolarHBondContact O-N 2.83Å; S314-S330 WeakPolarHBondContact CB-OG 3.46Å; S314-S330 PolarHBondContact N-O 3.4Å; S314-S330 PolarHBondContact O-N 3.48Å; S314-S330 PolarHBondContact OG-OG 3.15Å
315V98.2Very high94.3Very high23 Ų2337.5 Ų37.514%0.13919%0.194CC..EExtended strand (participates in β ladder)trans-138.2153.4-174.2-52.90000112.5V279 A326 K327 V328V279-V315 HydrophobicContact CB-CG2 3.92Å; V279-V315 HydrophobicContact CG1-CG2 4.4Å; V279-V315 PolarHBondContact N-O 3.36Å; V279-V315 PolarHBondContact O-N 3.49Å; V315-A326 HydrophobicContact CB-CB 3.96Å; V315-A326 HydrophobicContact CG2-CB 4.12Å; V315-K327 CarbonylContact C-O 3.53Å; V315-K327 WeakPolarHBondContact CA-O 3.22Å; V315-V328 HydrophobicContact CG1-CG2 4.2Å
316V98.2Very high94.7Very high47 Ų4738.1 Ų38.129%0.28520%0.2SC..EExtended strand (participates in β ladder)trans-116.6114.5171.6-177.40000108.8M278 A326 K327 L329M278-V316 HydrophobicContact CB-CG2 4.45Å; V316-A326 CarbonylContact O-C 3.52Å; V316-A326 VanDerWaalsContact O-CA 3.32Å; V316-A326 WeakPolarHBondContact O-CA 3.19Å; V316-K327 PolarHBondContact N-O 2.57Å; V316-K327 PolarHBondContact O-N 2.74Å; V316-L329 HydrophobicContact CG2-CD1 3.77Å; V316-L329 HydrophobicContact CG2-CD2 4.12Å; V316-L329 HydrophobicContact CG2-CG 4.04Å
317P97.2Very high95Very high13 Ų1344.6 Ų44.68%0.08423%0.228CC..EExtended strand (participates in β ladder)trans-70.1145.5178.829.8-33.4000110.9V279 L324 K325 A387 L389 I394V279-P317 HydrophobicContact CG2-CG 4.44Å; P317-L324 HydrophobicContact CB-CD1 3.99Å; P317-K325 CarbonylContact C-O 3.3Å; P317-K325 VanDerWaalsContact CA-O 3.31Å; P317-K325 WeakPolarHBondContact CA-O 3.49Å; P317-A387 HydrophobicContact CB-CB 4.35Å; P317-A387 HydrophobicContact CG-CB 4.34Å; P317-L389 HydrophobicContact CG-CD2 3.66Å; P317-L389 HydrophobicContact CG-CG 4.36Å; P317-I394 HydrophobicContact CG-CD1 4.26Å; P317-I394 HydrophobicContact CG-CG2 4.44Å
318Y96.2Very high95.3Very high84 Ų8445.6 Ų45.633%0.32923%0.234SC..EExtended strand (participates in β ladder)trans-150.8156.9171.666.4-86.3000110.1Q320 K325 K327Y318-Q320 HydrophobicContact CD2-CB 4.22Å; Y318-Q320 HydrophobicContact CE2-CB 3.96Å; Y318-K325 HydrophobicContact CD1-CB 4.29Å; Y318-K325 HydrophobicContact CD2-CB 4.19Å; Y318-K325 HydrophobicContact CE1-CB 3.78Å; Y318-K325 HydrophobicContact CE2-CB 3.67Å; Y318-K325 HydrophobicContact CE2-CD 3.92Å; Y318-K325 HydrophobicContact CE2-CG 4.36Å; Y318-K325 HydrophobicContact CG-CB 4.47Å; Y318-K325 VanDerWaalsContact CZ-CB 3.43Å; Y318-K325 PolarHBondContact N-O 2.69Å; Y318-K325 PolarHBondContact O-N 3.35Å; Y318-K325 VanDerWaalsContact O-O 3.09Å; Y318-K327 HydrophobicContact CD1-CB 4.42Å; Y318-K327 HydrophobicContact CE1-CB 4.18Å
319I94.4Very high95.5Very high23 Ų2349.1 Ų49.112%0.11825%0.253CS..EExtended strand (participates in β ladder)trans-102.2130.3178.8-64.1163.2000108.7R323 L324 L374 F396 F398I319-R323 WeakPolarHBondContact CA-O 3.38Å; I319-L324 HydrophobicContact CG1-CD1 4.38Å; I319-L374 HydrophobicContact CG2-CD1 4.14Å; I319-F396 HydrophobicContact CD1-CD1 3.92Å; I319-F398 HydrophobicContact CD1-CD1 4.11Å; I319-F398 HydrophobicContact CD1-CE1 3.33Å; I319-F398 HydrophobicContact CD1-CZ 3.81Å; I319-F398 HydrophobicContact CG1-CE1 4.45Å
320Q92.3Very high95.7Very high106 Ų10651 Ų5150%0.49527%0.267SS..EExtended strand (participates in β ladder)trans-136.9113.7174.4-170.5-175.422.500109.7Y318 N322 R323 K325Y318-Q320 HydrophobicContact CD2-CB 4.22Å; Y318-Q320 HydrophobicContact CE2-CB 3.96Å; Q320-N322 PolarHBondContact O-N 3.47Å; Q320-R323 PolarHBondContact N-O 3.45Å; Q320-R323 PolarHBondContact O-N 3.02Å; Q320-K325 HydrophobicContact CB-CD 4.19Å
321G87.9Confident95.7Very high58 Ų5848 Ų4860%0.59826%0.256SS*.THydrogen-bonded Turntrans58.9-132.7-168.600000110.6R323G321-R323 VanDerWaalsContact C-N 3.31Å; G321-R323 PolarHBondContact O-N 3.32Å
322N88.3Confident95.7Very high45 Ų4550.8 Ų50.824%0.24127%0.273CS..THydrogen-bonded Turntrans-91.829177.8-164.751.2000113.6Q320 L374Q320-N322 PolarHBondContact O-N 3.47Å; N322-L374 PolarHBondContact ND2-O 3.13Å; N322-L374 PolarHBondContact O-N 2.77Å
323R91.9Very high95.5Very high96 Ų9647.6 Ų47.636%0.36226%0.258SS..EExtended strand (participates in β ladder)trans-131.8135.5-175.7-57.5-174.978.5105.60.8112.2I319 Q320 G321 K325 S370 G371 I372I319-R323 WeakPolarHBondContact CA-O 3.38Å; Q320-R323 PolarHBondContact N-O 3.45Å; Q320-R323 PolarHBondContact O-N 3.02Å; G321-R323 VanDerWaalsContact C-N 3.31Å; G321-R323 PolarHBondContact O-N 3.32Å; R323-K325 HydrophobicContact CB-CG 4.34Å; R323-S370 VanDerWaalsContact CZ-O 3.25Å; R323-S370 PolarHBondContact NE-O 2.74Å; R323-S370 PolarHBondContact NH2-O 2.85Å; R323-S370 VanDerWaalsContact NH2-O 3.08Å; R323-G371 PolarHBondContact NH2-O 2.78Å; R323-I372 CarbonylContact C-O 3.57Å; R323-I372 VanDerWaalsContact CA-O 3.24Å; R323-I372 WeakPolarHBondContact CA-O 3.25Å
324L93.6Very high95.2Very high43 Ų4354 Ų5423%0.22529%0.285CS..EExtended strand (participates in β ladder)trans-83.8106.5165.3176.357.5000108.6P317 I319 G371 I372 L374 F396P317-L324 HydrophobicContact CB-CD1 3.99Å; I319-L324 HydrophobicContact CG1-CD1 4.38Å; L324-G371 CarbonylContact O-C 3.53Å; L324-G371 WeakPolarHBondContact O-CA 3.49Å; L324-I372 PolarHBondContact N-O 2.78Å; L324-I372 PolarHBondContact O-N 3.43Å; L324-L374 HydrophobicContact CB-CD2 4.01Å; L324-F396 HydrophobicContact CD1-CE1 3.65Å; L324-F396 HydrophobicContact CD1-CZ 4.33Å; L324-F396 HydrophobicContact CD2-CE1 4.04Å; L324-F396 HydrophobicContact CD2-CZ 3.99Å; L324-F396 HydrophobicContact CG-CE1 4.49Å
325K95.5Very high94.7Very high43 Ų4356 Ų5619%0.18730%0.297CS..EExtended strand (participates in β ladder)trans-104.9172.1178-67.5-172.2178.6-173.60110.3P317 Y318 Q320 R323 G368 K369P317-K325 CarbonylContact C-O 3.3Å; P317-K325 VanDerWaalsContact CA-O 3.31Å; P317-K325 WeakPolarHBondContact CA-O 3.49Å; Y318-K325 HydrophobicContact CD1-CB 4.29Å; Y318-K325 HydrophobicContact CD2-CB 4.19Å; Y318-K325 HydrophobicContact CE1-CB 3.78Å; Y318-K325 HydrophobicContact CE2-CB 3.67Å; Y318-K325 HydrophobicContact CE2-CD 3.92Å; Y318-K325 HydrophobicContact CE2-CG 4.36Å; Y318-K325 HydrophobicContact CG-CB 4.47Å; Y318-K325 VanDerWaalsContact CZ-CB 3.43Å; Y318-K325 PolarHBondContact N-O 2.69Å; Y318-K325 PolarHBondContact O-N 3.35Å; Y318-K325 VanDerWaalsContact O-O 3.09Å; Q320-K325 HydrophobicContact CB-CD 4.19Å; R323-K325 HydrophobicContact CB-CG 4.34Å; K325-G368 WeakPolarHBondContact CB-O 3.28Å; K325-K369 WeakPolarHBondContact CD-O 3.38Å; K325-K369 VanDerWaalsContact CE-O 3.26Å; K325-K369 WeakPolarHBondContact CE-O 3.42Å
326A97.1Very high93.7Very high19 Ų1958.3 Ų58.316%0.15731%0.311CS..EExtended strand (participates in β ladder)trans-139.9134.7174.100000111.3V315 V316 G368V315-A326 HydrophobicContact CB-CB 3.96Å; V315-A326 HydrophobicContact CG2-CB 4.12Å; V316-A326 CarbonylContact O-C 3.52Å; V316-A326 VanDerWaalsContact O-CA 3.32Å; V316-A326 WeakPolarHBondContact O-CA 3.19Å; A326-G368 PolarHBondContact N-O 2.94Å; A326-G368 CarbonylContact O-C 3.53Å; A326-G368 VanDerWaalsContact O-C 3.3Å; A326-G368 WeakPolarHBondContact O-CA 3.45Å
327K97.9Very high92.5Very high137 Ų13758.5 Ų58.560%0.59631%0.312SS*.EExtended strand (participates in β ladder)trans-82.5119.9168.8-178.1-179.9179.5-178.10107V315 V316 Y318 L329V315-K327 CarbonylContact C-O 3.53Å; V315-K327 WeakPolarHBondContact CA-O 3.22Å; V316-K327 PolarHBondContact N-O 2.57Å; V316-K327 PolarHBondContact O-N 2.74Å; Y318-K327 HydrophobicContact CD1-CB 4.42Å; Y318-K327 HydrophobicContact CE1-CB 4.18Å; K327-L329 HydrophobicContact CD-CD2 4.44Å; K327-L329 HydrophobicContact CG-CD2 4.49Å; K327-L329 PolarHBondContact O-N 2.92Å
328V97.8Very high91.3Very high24 Ų2462.1 Ų62.115%0.14533%0.328CS..EExtended strand (participates in β ladder)trans-80.6119.8177.1-175.70000108.1V315 A331 V364V315-V328 HydrophobicContact CG1-CG2 4.2Å; V328-A331 HydrophobicContact CG1-CB 4.32Å; V328-V364 HydrophobicContact CG1-CG1 3.85Å; V328-V364 HydrophobicContact CG2-CG1 3.88Å
329L98Very high90.3Very high89 Ų8965.7 Ų65.747%0.46634%0.341SS..EExtended strand (participates in β ladder)trans-87.2-41.9174.9-56.8-176.6000110.4M278 S314 V316 K327M278-L329 HydrophobicContact CB-CD1 3.96Å; M278-L329 HydrophobicContact SD-CD1 4.03Å; S314-L329 WeakPolarHBondContact O-CB 3.42Å; S314-L329 PolarHBondContact O-N 2.83Å; V316-L329 HydrophobicContact CG2-CD1 3.77Å; V316-L329 HydrophobicContact CG2-CD2 4.12Å; V316-L329 HydrophobicContact CG2-CG 4.04Å; K327-L329 HydrophobicContact CD-CD2 4.44Å; K327-L329 HydrophobicContact CG-CD2 4.49Å; K327-L329 PolarHBondContact O-N 2.92Å
330S97.5Very high89.2Confident47 Ų4767.3 Ų67.333%0.32935%0.35SS..EExtended strand (participates in β ladder)trans-152.8151.9174.765.90000110.4A313 S314A313-S330 WeakPolarHBondContact CA-O 3.29Å; S314-S330 WeakPolarHBondContact CB-OG 3.46Å; S314-S330 PolarHBondContact N-O 3.4Å; S314-S330 PolarHBondContact O-N 3.48Å; S314-S330 PolarHBondContact OG-OG 3.15Å
331A96.6Very high87.8Confident11 Ų1168.9 Ų68.99%0.09136%0.359CS..EExtended strand (participates in β ladder)trans-140.7118.7165.300000105.4F312 V328 F360 E361 V364F312-A331 CarbonylContact O-C 3.56Å; F312-A331 WeakPolarHBondContact O-CA 3.32Å; V328-A331 HydrophobicContact CG1-CB 4.32Å; A331-F360 HydrophobicContact CB-CD1 4.27Å; A331-F360 HydrophobicContact CB-CE1 3.93Å; A331-E361 HydrophobicContact CB-CB 4.4Å; A331-E361 HydrophobicContact CB-CG 3.99Å; A331-E361 VanDerWaalsContact O-CG 3.27Å; A331-E361 WeakPolarHBondContact O-CG 3.3Å; A331-V364 HydrophobicContact CB-CB 4.02Å; A331-V364 HydrophobicContact CB-CG1 4.1Å; A331-V364 HydrophobicContact CB-CG2 4.21Å
332T96.4Very high86.9Confident61 Ų6166.8 Ų66.837%0.37433%0.334SS..EExtended strand (participates in β ladder)trans-133.8147.9-176.162.30000109.6A311 F312 F360A311-T332 CarbonylContact C-O 3.52Å; A311-T332 VanDerWaalsContact CA-O 3.26Å; A311-T332 WeakPolarHBondContact CA-O 3.45Å; F312-T332 PolarHBondContact N-O 3.08Å; F312-T332 PolarHBondContact O-N 3.03Å; T332-F360 WeakPolarHBondContact O-CE1 3.47Å
333M94Very high86Confident6 Ų674 Ų743%0.0336%0.363CS..EExtended strand (participates in β ladder)trans-138.1133.1177.4-175.3-165.575.800108.9I309 K310 A311 V353 L356 R357 F360I309-M333 HydrophobicContact CB-CG 4.12Å; I309-M333 HydrophobicContact CB-SD 4.33Å; I309-M333 HydrophobicContact CD1-CG 4.19Å; I309-M333 HydrophobicContact CD1-SD 3.84Å; I309-M333 HydrophobicContact CG2-CG 4.32Å; I309-M333 HydrophobicContact CG2-SD 4.07Å; K310-M333 WeakPolarHBondContact O-CA 3.39Å; A311-M333 HydrophobicContact CB-CB 4.28Å; A311-M333 HydrophobicContact CB-CG 4.18Å; M333-V353 HydrophobicContact CE-CG1 4.41Å; M333-L356 HydrophobicContact CE-CB 3.64Å; M333-L356 HydrophobicContact SD-CB 4.24Å; M333-R357 HydrophobicContact CB-CG 4.3Å; M333-R357 HydrophobicContact CE-CB 3.97Å; M333-R357 PolarHBondContact O-NE 3.19Å; M333-F360 HydrophobicContact CB-CD1 4.22Å
334K92.5Very high85.1Confident141 Ų14170.1 Ų70.161%0.61335%0.35SS*.EExtended strand (participates in β ladder)trans-121.1136.3176.1-62.7-177-179.9-178.70109.1I309 K310I309-K334 CarbonylContact C-O 3.55Å; I309-K334 VanDerWaalsContact CA-O 3.31Å; I309-K334 WeakPolarHBondContact CA-O 3.16Å; K310-K334 PolarHBondContact N-O 2.95Å; K310-K334 PolarHBondContact O-N 3.31Å
335T86.8Confident84.4Confident59 Ų5971.4 Ų71.436%0.36236%0.357SS..EExtended strand (participates in β ladder)trans-84.4131.9167.844.10000109.4D308 I309 V353D308-T335 CarbonylContact O-C 3.52Å; D308-T335 WeakPolarHBondContact O-CA 3.35Å; I309-T335 HydrophobicContact CG2-CG2 4.03Å; T335-V353 HydrophobicContact CG2-CB 4.36Å; T335-V353 HydrophobicContact CG2-CG1 3.74Å; T335-V353 HydrophobicContact CG2-CG2 3.64Å
336T78.5Confident83.6Confident72 Ų7273.8 Ų73.844%0.44238%0.377SS..EExtended strand (participates in β ladder)trans-104.3-32.5179.660.40000112.6D308 K310D308-T336 VanDerWaalsContact CB-OG1 3.32Å; D308-T336 WeakPolarHBondContact CB-OG1 3.13Å; D308-T336 PolarHBondContact O-N 2.92Å; D308-T336 PolarHBondContact O-OG1 3.46Å; K310-T336 HydrophobicContact CB-CG2 4.47Å; K310-T336 HydrophobicContact CD-CG2 4.12Å; K310-T336 HydrophobicContact CG-CG2 3.9Å
337T72.3Confident82.8Confident51 Ų5178.2 Ų78.231%0.31340%0.398SS..EExtended strand (participates in β ladder)trans-145.7139.8-176.8-29.80000109.5D308 R339D308-T337 PolarHBondContact N-O 3.18Å; D308-T337 VanDerWaalsContact OD2-CB 3.28Å; D308-T337 WeakPolarHBondContact OD2-CB 3.38Å; D308-T337 PolarHBondContact OD2-OG1 2.75Å; T337-R339 HydrophobicContact CG2-CG 4.46Å
338Q72.1Confident81.9Confident90 Ų9075 Ų7542%0.42138%0.384SS..EExtended strand (participates in β ladder)trans-121.4133.1170.1174.8-179.6-21.600108.4L305 T306 L307 D340L305-Q338 HydrophobicContact CD1-CG 4.45Å; T306-Q338 WeakPolarHBondContact O-CA 3.25Å; L307-Q338 HydrophobicContact CD2-CB 4.09Å; L307-Q338 HydrophobicContact CD2-CG 4Å; Q338-D340 WeakPolarHBondContact CG-OD1 3.25Å; Q338-D340 PolarHBondContact NE2-OD1 3.22Å; Q338-D340 PolarHBondContact NE2-OD2 3.44Å
339R74.6Confident81.1Confident158 Ų15874 Ų7460%0.59638%0.378SS*.EExtended strand (participates in β ladder)trans-133.8121.5173.5-65.8-176.7-175.3176.51.6108.6T306 T337T306-R339 PolarHBondContact N-O 2.87Å; T306-R339 PolarHBondContact O-N 2.84Å; T337-R339 HydrophobicContact CG2-CG 4.46Å
340D71.1Confident80.4Confident57 Ų5775.7 Ų75.731%0.30538%0.384SS..EExtended strand (participates in β ladder)trans-120.6127.5-175.1-51.3-12.1000108.9L305 Q338 L342 V344L305-D340 WeakPolarHBondContact CD1-OD1 3.3Å; Q338-D340 WeakPolarHBondContact CG-OD1 3.25Å; Q338-D340 PolarHBondContact NE2-OD1 3.22Å; Q338-D340 PolarHBondContact NE2-OD2 3.44Å; D340-L342 VanDerWaalsContact CB-O 3.26Å; D340-L342 WeakPolarHBondContact CB-O 3.41Å; D340-V344 HydrophobicContact CB-CG2 4.21Å
341M64.4Low79.7Confident140 Ų14077.1 Ų77.169%0.6939%0.39SS*.SBendtrans-85-22.7167.8-68.3-161.9178.500111.5V304V304-M341 PolarHBondContact O-N 3.14Å
342L67.9Low78.9Confident13 Ų1377.6 Ų77.67%0.06839%0.391CS..SBendtrans-102148.3174.7-58.5-172.6000110.2L248 M254 V304 D340 V344L248-L342 HydrophobicContact CD2-CB 4.5Å; L248-L342 HydrophobicContact CD2-CD1 4.27Å; M254-L342 HydrophobicContact CE-CD2 3.48Å; M254-L342 VanDerWaalsContact CE-CD2 3.48Å; M254-L342 HydrophobicContact SD-CD2 3.24Å; M254-L342 WeakPolarHBondContact SD-CD2 3.49Å; V304-L342 HydrophobicContact CG1-CD1 3.47Å; V304-L342 VanDerWaalsContact CG1-CD1 3.47Å; V304-L342 HydrophobicContact CG1-CG 3.92Å; D340-L342 VanDerWaalsContact CB-O 3.26Å; D340-L342 WeakPolarHBondContact CB-O 3.41Å; L342-V344 HydrophobicContact CB-CG2 4.45Å; L342-V344 WeakPolarHBondContact O-CG2 3.28Å; L342-V344 PolarHBondContact O-N 2.93Å
343K69Low78.5Confident196 Ų19675.2 Ų75.285%0.85238%0.377SS*.  trans-67.498.9168.4-70.6-176179.3-179.10108.5
344V73.3Confident78.1Confident16 Ų1678.3 Ų78.310%0.09739%0.393CS..  trans-96.6137.6174.3-161.60000108.9F247 L248 D340 L342 P346 V349F247-V344 HydrophobicContact CE2-CG1 4.17Å; F247-V344 HydrophobicContact CZ-CG1 3.95Å; L248-V344 HydrophobicContact CD2-CB 4.39Å; L248-V344 HydrophobicContact CD2-CG1 4.04Å; L248-V344 HydrophobicContact CD2-CG2 3.59Å; D340-V344 HydrophobicContact CB-CG2 4.21Å; L342-V344 HydrophobicContact CB-CG2 4.45Å; L342-V344 WeakPolarHBondContact O-CG2 3.28Å; L342-V344 PolarHBondContact O-N 2.93Å; V344-P346 WeakPolarHBondContact O-CD 3.41Å; V344-V349 HydrophobicContact CB-CG2 3.88Å; V344-V349 HydrophobicContact CG1-CG2 3.47Å; V344-V349 VanDerWaalsContact CG1-CG2 3.47Å
345D78.2Confident77.7Confident69 Ų6973.3 Ų73.337%0.36937%0.373SS..  trans-62.5121.9171.3178.3-11.5000109.4N347 K348 V349D345-N347 PolarHBondContact O-N 2.97Å; D345-N347 WeakPolarHBondContact OD1-CB 3.02Å; D345-N347 PolarHBondContact OD1-N 2.88Å; D345-K348 HydrophobicContact CB-CB 4.14Å; D345-K348 HydrophobicContact CB-CD 3.91Å; D345-K348 HydrophobicContact CB-CG 3.81Å; D345-K348 WeakPolarHBondContact O-CB 3.47Å; D345-K348 PolarHBondContact O-N 3.2Å; D345-V349 PolarHBondContact O-N 2.98Å; D345-V349 VanDerWaalsContact O-N 3.15Å
346P79.5Confident77.7Confident94 Ų9470.9 Ų70.961%0.6136%0.358SS*.Hα-helixtrans-53.5-37.9179.5-26.735000113.7V344 K348 V349 E350V344-P346 WeakPolarHBondContact O-CD 3.41Å; P346-K348 VanDerWaalsContact C-N 3.27Å; P346-K348 PolarHBondContact O-N 3.42Å; P346-V349 PolarHBondContact O-N 2.74Å; P346-V349 VanDerWaalsContact O-N 3.13Å; P346-E350 PolarHBondContact O-N 3.06Å
347N81.5Confident78.3Confident112 Ų11271.2 Ų71.260%0.59935%0.351SS*.Hα-helixtrans-64.6-35.6179.4-65.1-26.4000111.2D345 V351D345-N347 PolarHBondContact O-N 2.97Å; D345-N347 WeakPolarHBondContact OD1-CB 3.02Å; D345-N347 PolarHBondContact OD1-N 2.88Å; N347-V351 WeakPolarHBondContact O-CG2 3.4Å; N347-V351 PolarHBondContact O-N 3.47Å
348K78Confident79.1Confident69 Ų6973.6 Ų73.630%0.336%0.357SS..Hα-helixtrans-69.2-38.4176.1-65.8-173-175.2-173.70110.8S246 F247 D345 P346 E350 V351 L352S246-K348 PolarHBondContact O-NZ 3.12Å; F247-K348 HydrophobicContact CD2-CB 3.73Å; F247-K348 VanDerWaalsContact CE2-C 3.48Å; F247-K348 HydrophobicContact CE2-CB 3.86Å; F247-K348 WeakPolarHBondContact CE2-O 3.39Å; F247-K348 WeakPolarHBondContact O-CD 3.37Å; D345-K348 HydrophobicContact CB-CB 4.14Å; D345-K348 HydrophobicContact CB-CD 3.91Å; D345-K348 HydrophobicContact CB-CG 3.81Å; D345-K348 WeakPolarHBondContact O-CB 3.47Å; D345-K348 PolarHBondContact O-N 3.2Å; P346-K348 VanDerWaalsContact C-N 3.27Å; P346-K348 PolarHBondContact O-N 3.42Å; K348-E350 VanDerWaalsContact C-N 3.33Å; K348-V351 WeakPolarHBondContact O-CB 3.45Å; K348-V351 PolarHBondContact O-N 3.4Å; K348-L352 PolarHBondContact O-N 2.79Å
349V81Confident79.7Confident3 Ų369.6 Ų69.62%0.01834%0.339CS..Hα-helixtrans-64.1-40.8177.6-178.60000110.9F247 L307 V344 D345 P346 V351 L352 V353F247-V349 HydrophobicContact CE2-CG2 4.37Å; F247-V349 HydrophobicContact CZ-CG2 4.3Å; L307-V349 HydrophobicContact CD2-CG1 4.26Å; V344-V349 HydrophobicContact CB-CG2 3.88Å; V344-V349 HydrophobicContact CG1-CG2 3.47Å; V344-V349 VanDerWaalsContact CG1-CG2 3.47Å; D345-V349 PolarHBondContact O-N 2.98Å; D345-V349 VanDerWaalsContact O-N 3.15Å; P346-V349 PolarHBondContact O-N 2.74Å; P346-V349 VanDerWaalsContact O-N 3.13Å; V349-V351 VanDerWaalsContact C-N 3.33Å; V349-V351 PolarHBondContact O-N 2.83Å; V349-L352 WeakPolarHBondContact O-CB 3.04Å; V349-L352 PolarHBondContact O-N 3.29Å; V349-L352 VanDerWaalsContact O-N 3.11Å; V349-V353 HydrophobicContact CG1-CG2 4.32Å; V349-V353 WeakPolarHBondContact O-CG2 3.43Å; V349-V353 PolarHBondContact O-N 3.38Å
350E84.2Confident80.5Confident124 Ų12463.9 Ų63.958%0.57932%0.318SS*.Hα-helixtrans-57.3-45.3173.5-172.1171.7-164.500111.9P346 K348 L352 V353 D354P346-E350 PolarHBondContact O-N 3.06Å; K348-E350 VanDerWaalsContact C-N 3.33Å; E350-L352 VanDerWaalsContact C-N 3.33Å; E350-L352 PolarHBondContact O-N 3.02Å; E350-V353 WeakPolarHBondContact O-CB 3.38Å; E350-V353 PolarHBondContact O-N 2.85Å; E350-V353 VanDerWaalsContact O-N 3.11Å; E350-D354 PolarHBondContact O-N 2.85Å
351V82.2Confident81.5Confident77 Ų7764.3 Ų64.347%0.46732%0.319SS..Hα-helixtrans-59-42.2174.1174.20000111.9N347 K348 V349 V353 D354 I355N347-V351 WeakPolarHBondContact O-CG2 3.4Å; N347-V351 PolarHBondContact O-N 3.47Å; K348-V351 WeakPolarHBondContact O-CB 3.45Å; K348-V351 PolarHBondContact O-N 3.4Å; V349-V351 VanDerWaalsContact C-N 3.33Å; V349-V351 PolarHBondContact O-N 2.83Å; V351-V353 VanDerWaalsContact C-N 3.35Å; V351-D354 PolarHBondContact O-N 3.42Å; V351-I355 HydrophobicContact CG1-CD1 4.06Å; V351-I355 VanDerWaalsContact O-CG1 3.28Å; V351-I355 WeakPolarHBondContact O-CG1 3.31Å; V351-I355 PolarHBondContact O-N 3.4Å
352L80.2Confident82.7Confident22 Ų2259.9 Ų59.912%0.11530%0.298CS..Hα-helixtrans-62.4-42.9175.2174.964.2000111.5L233 F247 L305 L307 K348 V349 E350 D354 I355 L356L233-L352 HydrophobicContact CD1-CD1 4.03Å; F247-L352 HydrophobicContact CD2-CB 4.44Å; F247-L352 HydrophobicContact CE1-CD2 3.87Å; F247-L352 HydrophobicContact CE2-CB 3.81Å; F247-L352 HydrophobicContact CE2-CD2 4.16Å; F247-L352 HydrophobicContact CZ-CB 4.06Å; F247-L352 HydrophobicContact CZ-CD2 3.52Å; F247-L352 HydrophobicContact CZ-CG 4.38Å; L305-L352 HydrophobicContact CD2-CD2 3.64Å; L307-L352 HydrophobicContact CD1-CD2 4.09Å; K348-L352 PolarHBondContact O-N 2.79Å; V349-L352 WeakPolarHBondContact O-CB 3.04Å; V349-L352 PolarHBondContact O-N 3.29Å; V349-L352 VanDerWaalsContact O-N 3.11Å; E350-L352 VanDerWaalsContact C-N 3.33Å; E350-L352 PolarHBondContact O-N 3.02Å; L352-D354 VanDerWaalsContact C-N 3.31Å; L352-D354 PolarHBondContact O-N 3.27Å; L352-I355 PolarHBondContact O-N 3.35Å; L352-L356 HydrophobicContact CD1-CD1 4.37Å; L352-L356 HydrophobicContact CD1-CG 4.31Å; L352-L356 HydrophobicContact CG-CD1 4.1Å; L352-L356 HydrophobicContact CG-CG 4.48Å; L352-L356 WeakPolarHBondContact O-CB 3.46Å; L352-L356 VanDerWaalsContact O-CG 3.31Å; L352-L356 WeakPolarHBondContact O-CG 3.28Å; L352-L356 PolarHBondContact O-N 2.64Å
353V86.3Confident83.7Confident11 Ų1160.9 Ų60.97%0.06731%0.306CS..Hα-helixtrans-62.3-40.2177.7172.10000111L307 M333 T335 V349 E350 V351 L356 R357L307-V353 HydrophobicContact CD1-CG2 4.25Å; M333-V353 HydrophobicContact CE-CG1 4.41Å; T335-V353 HydrophobicContact CG2-CB 4.36Å; T335-V353 HydrophobicContact CG2-CG1 3.74Å; T335-V353 HydrophobicContact CG2-CG2 3.64Å; V349-V353 HydrophobicContact CG1-CG2 4.32Å; V349-V353 WeakPolarHBondContact O-CG2 3.43Å; V349-V353 PolarHBondContact O-N 3.38Å; E350-V353 WeakPolarHBondContact O-CB 3.38Å; E350-V353 PolarHBondContact O-N 2.85Å; E350-V353 VanDerWaalsContact O-N 3.11Å; V351-V353 VanDerWaalsContact C-N 3.35Å; V353-L356 PolarHBondContact O-N 3.18Å; V353-R357 WeakPolarHBondContact O-CB 3.35Å; V353-R357 PolarHBondContact O-N 3.5Å
354D86.5Confident84.8Confident71 Ų7152.5 Ų52.538%0.3827%0.271SS..Hα-helixtrans-63.9-42.7175.6-72.7-13.6000112.1E350 V351 L352 L356 R357 K358E350-D354 PolarHBondContact O-N 2.85Å; V351-D354 PolarHBondContact O-N 3.42Å; L352-D354 VanDerWaalsContact C-N 3.31Å; L352-D354 PolarHBondContact O-N 3.27Å; D354-L356 PolarHBondContact O-N 3.05Å; D354-R357 PolarHBondContact O-N 2.89Å; D354-R357 IonicContact OD1-CZ 2.68Å; D354-R357 IonicContact OD1-NH1 2.88Å; D354-R357 PolarHBondContact OD1-NH1 2.82Å; D354-R357 IonicContact OD1-NH2 3.86Å; D354-K358 WeakPolarHBondContact O-CB 3.49Å; D354-K358 PolarHBondContact O-N 2.85Å
355I83.5Confident85.8Confident36 Ų3654.5 Ų54.519%0.18528%0.279CS..Hα-helixtrans-61.7-44.9174.5-66.2163000110.7L230 L233 F242 V351 L352 R357 K358 S359L230-I355 HydrophobicContact CD2-CG2 3.99Å; L233-I355 HydrophobicContact CD1-CG2 4.16Å; L233-I355 HydrophobicContact CD2-CD1 4.23Å; F242-I355 HydrophobicContact CD1-CD1 3.86Å; F242-I355 HydrophobicContact CE1-CD1 3.98Å; F242-I355 HydrophobicContact CE1-CG1 4.44Å; V351-I355 HydrophobicContact CG1-CD1 4.06Å; V351-I355 VanDerWaalsContact O-CG1 3.28Å; V351-I355 WeakPolarHBondContact O-CG1 3.31Å; V351-I355 PolarHBondContact O-N 3.4Å; L352-I355 PolarHBondContact O-N 3.35Å; I355-R357 VanDerWaalsContact C-N 3.35Å; I355-R357 PolarHBondContact O-N 3.48Å; I355-K358 PolarHBondContact O-N 2.97Å; I355-S359 WeakPolarHBondContact O-CB 3.37Å; I355-S359 PolarHBondContact O-N 2.86Å
356L86.9Confident86.5Confident8 Ų854.4 Ų54.44%0.04228%0.279CS..Hα-helixtrans-62.7-41.6177.8-73.7171.7000111.7L230 I287 L307 M333 L352 V353 D354 S359 F360L230-L356 HydrophobicContact CD1-CD2 3.59Å; L230-L356 HydrophobicContact CD2-CD2 3.64Å; L230-L356 HydrophobicContact CD2-CG 4.46Å; L230-L356 HydrophobicContact CG-CD2 4.27Å; I287-L356 HydrophobicContact CD1-CD1 3.87Å; I287-L356 HydrophobicContact CD1-CD2 3.89Å; I287-L356 HydrophobicContact CD1-CG 4.41Å; L307-L356 HydrophobicContact CD1-CD1 3.72Å; M333-L356 HydrophobicContact CE-CB 3.64Å; M333-L356 HydrophobicContact SD-CB 4.24Å; L352-L356 HydrophobicContact CD1-CD1 4.37Å; L352-L356 HydrophobicContact CD1-CG 4.31Å; L352-L356 HydrophobicContact CG-CD1 4.1Å; L352-L356 HydrophobicContact CG-CG 4.48Å; L352-L356 WeakPolarHBondContact O-CB 3.46Å; L352-L356 VanDerWaalsContact O-CG 3.31Å; L352-L356 WeakPolarHBondContact O-CG 3.28Å; L352-L356 PolarHBondContact O-N 2.64Å; V353-L356 PolarHBondContact O-N 3.18Å; D354-L356 PolarHBondContact O-N 3.05Å; L356-S359 PolarHBondContact O-N 2.76Å; L356-F360 WeakPolarHBondContact O-CB 3.32Å; L356-F360 PolarHBondContact O-N 2.88Å
357R91.2Very high87Confident79 Ų7953.7 Ų53.730%0.29827%0.269SS..Hα-helixtrans-61.5-49176.3-168.8-177.6-54.8110.13110.7M333 V353 D354 I355 S359 F360 E361M333-R357 HydrophobicContact CB-CG 4.3Å; M333-R357 HydrophobicContact CE-CB 3.97Å; M333-R357 PolarHBondContact O-NE 3.19Å; V353-R357 WeakPolarHBondContact O-CB 3.35Å; V353-R357 PolarHBondContact O-N 3.5Å; D354-R357 PolarHBondContact O-N 2.89Å; D354-R357 IonicContact OD1-CZ 2.68Å; D354-R357 IonicContact OD1-NH1 2.88Å; D354-R357 PolarHBondContact OD1-NH1 2.82Å; D354-R357 IonicContact OD1-NH2 3.86Å; I355-R357 VanDerWaalsContact C-N 3.35Å; I355-R357 PolarHBondContact O-N 3.48Å; R357-S359 PolarHBondContact O-N 2.79Å; R357-F360 WeakPolarHBondContact O-CB 3.27Å; R357-F360 PolarHBondContact O-N 2.95Å; R357-E361 WeakPolarHBondContact O-CG 3.05Å; R357-E361 PolarHBondContact O-N 2.78Å
358K88.9Confident87.5Confident100 Ų10048.6 Ų48.644%0.43524%0.243SC..Hα-helixtrans-61.5-43.9178.3-177.653.5176.1156.90112.2D354 I355 F360 E361 D362D354-K358 WeakPolarHBondContact O-CB 3.49Å; D354-K358 PolarHBondContact O-N 2.85Å; I355-K358 PolarHBondContact O-N 2.97Å; K358-F360 VanDerWaalsContact C-N 3.33Å; K358-F360 PolarHBondContact O-N 2.81Å; K358-E361 PolarHBondContact O-N 3.32Å; K358-D362 WeakPolarHBondContact CE-OD1 3.23Å; K358-D362 WeakPolarHBondContact CE-OD2 3.2Å; K358-D362 IonicContact NZ-OD1 3.29Å; K358-D362 PolarHBondContact NZ-OD1 3.38Å; K358-D362 IonicContact NZ-OD2 2.83Å; K358-D362 PolarHBondContact NZ-OD2 2.78Å; K358-D362 WeakPolarHBondContact O-CB 3.34Å; K358-D362 PolarHBondContact O-N 2.85Å
359S86.3Confident88.3Confident7 Ų751.1 Ų51.15%0.04925%0.254CS..Hα-helixtrans-66-36.1178.9-156.80000112.4E229 I355 L356 R357 S363E229-S359 PolarHBondContact OE2-OG 3.43Å; I355-S359 WeakPolarHBondContact O-CB 3.37Å; I355-S359 PolarHBondContact O-N 2.86Å; L356-S359 PolarHBondContact O-N 2.76Å; R357-S359 PolarHBondContact O-N 2.79Å; S359-S363 VanDerWaalsContact O-CB 3.24Å; S359-S363 WeakPolarHBondContact O-CB 3.11Å; S359-S363 PolarHBondContact O-N 3.05Å; S359-S363 PolarHBondContact O-OG 2.98Å
360F90.5Very high88.8Confident37 Ų3752.5 Ų52.516%0.16226%0.264CS..Hα-helixtrans-63.6-50.8172174-106.2000111.5I283 A311 A313 A331 T332 M333 L356 R357 K358 D362 S363 V364I283-F360 HydrophobicContact CD1-CE2 4.23Å; A311-F360 HydrophobicContact CB-CD1 4.41Å; A311-F360 HydrophobicContact CB-CD2 4.41Å; A311-F360 HydrophobicContact CB-CE1 3.89Å; A311-F360 HydrophobicContact CB-CE2 3.9Å; A311-F360 HydrophobicContact CB-CZ 3.61Å; A313-F360 HydrophobicContact CB-CZ 4.4Å; A331-F360 HydrophobicContact CB-CD1 4.27Å; A331-F360 HydrophobicContact CB-CE1 3.93Å; T332-F360 WeakPolarHBondContact O-CE1 3.47Å; M333-F360 HydrophobicContact CB-CD1 4.22Å; L356-F360 WeakPolarHBondContact O-CB 3.32Å; L356-F360 PolarHBondContact O-N 2.88Å; R357-F360 WeakPolarHBondContact O-CB 3.27Å; R357-F360 PolarHBondContact O-N 2.95Å; K358-F360 VanDerWaalsContact C-N 3.33Å; K358-F360 PolarHBondContact O-N 2.81Å; F360-D362 PolarHBondContact O-N 3.14Å; F360-S363 WeakPolarHBondContact O-CB 3.46Å; F360-S363 PolarHBondContact O-N 2.89Å; F360-V364 HydrophobicContact CD1-CG2 4.5Å; F360-V364 HydrophobicContact CD2-CG2 4.16Å; F360-V364 HydrophobicContact CE1-CG2 4.08Å; F360-V364 HydrophobicContact CE2-CG2 3.7Å; F360-V364 HydrophobicContact CZ-CG2 3.66Å; F360-V364 WeakPolarHBondContact O-CG2 3.48Å; F360-V364 PolarHBondContact O-N 3.1Å
361E92.3Very high89Confident66 Ų6647.1 Ų47.131%0.30824%0.242SC..Hα-helixtrans-54.3-50.4176.8-75.1171.2-162.600111.9A331 R357 K358 S363 V364 Q365A331-E361 HydrophobicContact CB-CB 4.4Å; A331-E361 HydrophobicContact CB-CG 3.99Å; A331-E361 VanDerWaalsContact O-CG 3.27Å; A331-E361 WeakPolarHBondContact O-CG 3.3Å; R357-E361 WeakPolarHBondContact O-CG 3.05Å; R357-E361 PolarHBondContact O-N 2.78Å; K358-E361 PolarHBondContact O-N 3.32Å; E361-S363 VanDerWaalsContact C-N 3.31Å; E361-S363 PolarHBondContact O-N 2.76Å; E361-V364 PolarHBondContact O-N 3.4Å; E361-Q365 VanDerWaalsContact O-CB 3.32Å; E361-Q365 WeakPolarHBondContact O-CB 3.37Å; E361-Q365 PolarHBondContact O-N 2.89Å
362D90.1Very high89.3Confident48 Ų4847.8 Ų47.826%0.25724%0.242SC..Hα-helixtrans-65.7-35.8-179.6-71.4-15.2000111.5K358 F360 Q365 N366K358-D362 WeakPolarHBondContact CE-OD1 3.23Å; K358-D362 WeakPolarHBondContact CE-OD2 3.2Å; K358-D362 IonicContact NZ-OD1 3.29Å; K358-D362 PolarHBondContact NZ-OD1 3.38Å; K358-D362 IonicContact NZ-OD2 2.83Å; K358-D362 PolarHBondContact NZ-OD2 2.78Å; K358-D362 WeakPolarHBondContact O-CB 3.34Å; K358-D362 PolarHBondContact O-N 2.85Å; F360-D362 PolarHBondContact O-N 3.14Å; D362-Q365 PolarHBondContact O-N 3.42Å; D362-N366 VanDerWaalsContact O-CB 3.25Å; D362-N366 WeakPolarHBondContact O-CB 3.37Å; D362-N366 PolarHBondContact O-N 2.89Å; D362-N366 PolarHBondContact O-ND2 3.13Å
363S88.2Confident89.6Confident33 Ų3350.5 Ų50.523%0.23125%0.253CS..Hα-helixtrans-64.1-47.4174.9-65.70000112S359 F360 E361 Q365 N366 I367S359-S363 VanDerWaalsContact O-CB 3.24Å; S359-S363 WeakPolarHBondContact O-CB 3.11Å; S359-S363 PolarHBondContact O-N 3.05Å; S359-S363 PolarHBondContact O-OG 2.98Å; F360-S363 WeakPolarHBondContact O-CB 3.46Å; F360-S363 PolarHBondContact O-N 2.89Å; E361-S363 VanDerWaalsContact C-N 3.31Å; E361-S363 PolarHBondContact O-N 2.76Å; S363-Q365 VanDerWaalsContact C-N 3.33Å; S363-Q365 PolarHBondContact O-N 3.12Å; S363-N366 PolarHBondContact O-N 3.39Å; S363-I367 WeakPolarHBondContact O-CD1 3.5Å; S363-I367 VanDerWaalsContact O-CG1 3.28Å; S363-I367 WeakPolarHBondContact O-CG1 3.21Å; S363-I367 PolarHBondContact O-N 2.91Å
364V92.8Very high89.6Confident20 Ų2051 Ų5112%0.12126%0.256CS..Hα-helixtrans-62.1-43.6176.5175.40000110.2A313 V328 A331 F360 E361 N366 I367 G368A313-V364 HydrophobicContact CB-CG1 3.95Å; A313-V364 HydrophobicContact CB-CG2 4.28Å; V328-V364 HydrophobicContact CG1-CG1 3.85Å; V328-V364 HydrophobicContact CG2-CG1 3.88Å; A331-V364 HydrophobicContact CB-CB 4.02Å; A331-V364 HydrophobicContact CB-CG1 4.1Å; A331-V364 HydrophobicContact CB-CG2 4.21Å; F360-V364 HydrophobicContact CD1-CG2 4.5Å; F360-V364 HydrophobicContact CD2-CG2 4.16Å; F360-V364 HydrophobicContact CE1-CG2 4.08Å; F360-V364 HydrophobicContact CE2-CG2 3.7Å; F360-V364 HydrophobicContact CZ-CG2 3.66Å; F360-V364 WeakPolarHBondContact O-CG2 3.48Å; F360-V364 PolarHBondContact O-N 3.1Å; E361-V364 PolarHBondContact O-N 3.4Å; V364-N366 VanDerWaalsContact C-N 3.34Å; V364-N366 PolarHBondContact O-N 3.22Å; V364-I367 PolarHBondContact O-N 3.01Å; V364-G368 PolarHBondContact O-N 3.09Å
365Q94.5Very high89.2Confident59 Ų5952 Ų5228%0.27627%0.266SS..Hα-helixtrans-61.4-41.3177.4-173.558.179.500112.6E361 D362 S363 K369E361-Q365 VanDerWaalsContact O-CB 3.32Å; E361-Q365 WeakPolarHBondContact O-CB 3.37Å; E361-Q365 PolarHBondContact O-N 2.89Å; D362-Q365 PolarHBondContact O-N 3.42Å; S363-Q365 VanDerWaalsContact C-N 3.33Å; S363-Q365 PolarHBondContact O-N 3.12Å; Q365-K369 HydrophobicContact CG-CD 4.2Å; Q365-K369 VanDerWaalsContact NE2-CE 3.29Å; Q365-K369 WeakPolarHBondContact O-CB 3.49Å; Q365-K369 WeakPolarHBondContact O-CG 3.42Å; Q365-K369 PolarHBondContact O-N 2.77Å
366N91.1Very high89Confident67 Ų6759.7 Ų59.736%0.35829%0.293SS..Hα-helixtrans-70.3-40.3177.7-74-31.1000112.1D362 S363 V364 S370D362-N366 VanDerWaalsContact O-CB 3.25Å; D362-N366 WeakPolarHBondContact O-CB 3.37Å; D362-N366 PolarHBondContact O-N 2.89Å; D362-N366 PolarHBondContact O-ND2 3.13Å; S363-N366 PolarHBondContact O-N 3.39Å; V364-N366 VanDerWaalsContact C-N 3.34Å; V364-N366 PolarHBondContact O-N 3.22Å; N366-S370 WeakPolarHBondContact O-CB 3.33Å; N366-S370 PolarHBondContact O-N 2.87Å; N366-S370 PolarHBondContact O-OG 2.83Å
367I90.2Very high88.8Confident78 Ų7860.7 Ų60.740%0.430%0.3SS..Hα-helixtrans-59.6-50.9172.8-71.3161.1000109.9I132 S363 V364 K369 S370 G371I132-I367 HydrophobicContact CD1-CD1 4.41Å; S363-I367 WeakPolarHBondContact O-CD1 3.5Å; S363-I367 VanDerWaalsContact O-CG1 3.28Å; S363-I367 WeakPolarHBondContact O-CG1 3.21Å; S363-I367 PolarHBondContact O-N 2.91Å; V364-I367 PolarHBondContact O-N 3.01Å; I367-K369 PolarHBondContact O-N 3.34Å; I367-S370 PolarHBondContact O-N 3.45Å; I367-G371 PolarHBondContact O-N 2.86Å
368G93.5Very high88.4Confident5 Ų560.7 Ų60.75%0.05231%0.312CS..Hα-helixtrans-61.4-43.6-179.300000113.5K325 A326 V364K325-G368 WeakPolarHBondContact CB-O 3.28Å; A326-G368 PolarHBondContact N-O 2.94Å; A326-G368 CarbonylContact O-C 3.53Å; A326-G368 VanDerWaalsContact O-C 3.3Å; A326-G368 WeakPolarHBondContact O-CA 3.45Å; V364-G368 PolarHBondContact O-N 3.09Å
369K94Very high88.1Confident123 Ų12356.9 Ų56.954%0.53530%0.297SS..Hα-helixtrans-68.2-42.5177.5-78.9173.8177.3175.40112.9K325 Q365 I367K325-K369 WeakPolarHBondContact CD-O 3.38Å; K325-K369 VanDerWaalsContact CE-O 3.26Å; K325-K369 WeakPolarHBondContact CE-O 3.42Å; Q365-K369 HydrophobicContact CG-CD 4.2Å; Q365-K369 VanDerWaalsContact NE2-CE 3.29Å; Q365-K369 WeakPolarHBondContact O-CB 3.49Å; Q365-K369 WeakPolarHBondContact O-CG 3.42Å; Q365-K369 PolarHBondContact O-N 2.77Å; I367-K369 PolarHBondContact O-N 3.34Å
370S90.6Very high88.2Confident32 Ų3259.1 Ų59.122%0.22431%0.306CS..Hα-helixtrans-67.4-44.1179.8-59.20000110.2R323 N366 I367R323-S370 VanDerWaalsContact CZ-O 3.25Å; R323-S370 PolarHBondContact NE-O 2.74Å; R323-S370 PolarHBondContact NH2-O 2.85Å; R323-S370 VanDerWaalsContact NH2-O 3.08Å; N366-S370 WeakPolarHBondContact O-CB 3.33Å; N366-S370 PolarHBondContact O-N 2.87Å; N366-S370 PolarHBondContact O-OG 2.83Å; I367-S370 PolarHBondContact O-N 3.45Å
371G89.7Confident88.1Confident11 Ų1160.2 Ų60.211%0.11332%0.322CS..  trans61.8177.9-175.400000113.7R323 L324 I367R323-G371 PolarHBondContact NH2-O 2.78Å; L324-G371 CarbonylContact O-C 3.53Å; L324-G371 WeakPolarHBondContact O-CA 3.49Å; I367-G371 PolarHBondContact O-N 2.86Å
372I87.1Confident88Confident91 Ų9158.6 Ų58.647%0.46732%0.315SS..EExtended strand (participates in β ladder)trans-104.1138.6178-59.5168000108.3R323 L324R323-I372 CarbonylContact C-O 3.57Å; R323-I372 VanDerWaalsContact CA-O 3.24Å; R323-I372 WeakPolarHBondContact CA-O 3.25Å; L324-I372 PolarHBondContact N-O 2.78Å; L324-I372 PolarHBondContact O-N 3.43Å
373E87.1Confident88Confident78 Ų7864 Ų6436%0.36433%0.332SS..EExtended strand (participates in β ladder)trans-71.6129.6174.7-177.8164.8-163.300110.6R376E373-R376 IonicContact OE1-CZ 3.87Å; E373-R376 IonicContact OE1-NE 2.95Å; E373-R376 PolarHBondContact OE1-NE 2.87Å; E373-R376 IonicContact OE1-NH2 3.21Å; E373-R376 PolarHBondContact OE1-NH2 3.21Å
374L86.5Confident88.1Confident21 Ų2165 Ų6511%0.1134%0.339CS..PPolyproline II helixtrans-74.1145175.6-65.1175.6000110.1I319 N322 L324 R376 I382 F398I319-L374 HydrophobicContact CG2-CD1 4.14Å; N322-L374 PolarHBondContact ND2-O 3.13Å; N322-L374 PolarHBondContact O-N 2.77Å; L324-L374 HydrophobicContact CB-CD2 4.01Å; L374-R376 PolarHBondContact O-N 3.29Å; L374-I382 HydrophobicContact CB-CD1 3.91Å; L374-I382 HydrophobicContact CD1-CD1 3.69Å; L374-I382 HydrophobicContact CG-CD1 4.43Å; L374-F398 HydrophobicContact CD1-CE1 3.81Å; L374-F398 HydrophobicContact CD1-CZ 4.32Å
375P78.6Confident88.1Confident92 Ų9264.9 Ų64.960%0.59734%0.341SS*.PPolyproline II helixtrans-53.6134.2179.9-25.433.6000112.1F104F104-P375 HydrophobicContact CE1-CG 4.35Å
376R79.5Confident88Confident198 Ų19867.3 Ų67.375%0.74735%0.347SS*.PPolyproline II helixtrans-90.6139.8175-60.5-175.6-170.6-177.60.7110E373 L374E373-R376 IonicContact OE1-CZ 3.87Å; E373-R376 IonicContact OE1-NE 2.95Å; E373-R376 PolarHBondContact OE1-NE 2.87Å; E373-R376 IonicContact OE1-NH2 3.21Å; E373-R376 PolarHBondContact OE1-NH2 3.21Å; L374-R376 PolarHBondContact O-N 3.29Å
377S82.5Confident88.2Confident29 Ų2965.1 Ų65.120%0.20334%0.339CS..  trans-113.1149.5171.3-177.60000110.2I379 F380S377-I379 VanDerWaalsContact C-N 3.29Å; S377-I379 WeakPolarHBondContact OG-CG1 3.38Å; S377-I379 PolarHBondContact OG-N 3.17Å; S377-F380 WeakPolarHBondContact CB-O 3.48Å; S377-F380 VanDerWaalsContact O-O 3.12Å
378S81.8Confident88.3Confident79 Ų7965.5 Ų65.555%0.55234%0.336SS*.SBendtrans-78.5-16.8172.851.60000112.8
379I83.1Confident88.4Confident20 Ų2066.3 Ų66.310%0.10334%0.339CS..SBendtrans-101.1-22.3-176.453.5153.8000113.4F91 S377 F402 N403 V406 L407 K410F91-I379 HydrophobicContact CE1-CD1 4.35Å; F91-I379 HydrophobicContact CE2-CG2 4.13Å; F91-I379 HydrophobicContact CZ-CD1 3.68Å; F91-I379 HydrophobicContact CZ-CG1 4.23Å; F91-I379 HydrophobicContact CZ-CG2 4.13Å; S377-I379 VanDerWaalsContact C-N 3.29Å; S377-I379 WeakPolarHBondContact OG-CG1 3.38Å; S377-I379 PolarHBondContact OG-N 3.17Å; I379-F402 WeakPolarHBondContact O-CA 3.37Å; I379-N403 PolarHBondContact O-N 2.85Å; I379-V406 HydrophobicContact CG2-CG1 4.25Å; I379-L407 HydrophobicContact CB-CD2 4.46Å; I379-L407 HydrophobicContact CG2-CD2 4.48Å; I379-K410 HydrophobicContact CG2-CD 4.25Å
380F88.1Confident88.4Confident55 Ų5561.1 Ų61.124%0.24132%0.317CS..EExtended strand (participates in β ladder)trans-146.1153.4178.263.5-102.6000111.4S377 L400 T401 F402S377-F380 WeakPolarHBondContact CB-O 3.48Å; S377-F380 VanDerWaalsContact O-O 3.12Å; F380-L400 HydrophobicContact CB-CB 4.39Å; F380-L400 HydrophobicContact CD1-CD1 4.47Å; F380-L400 HydrophobicContact CD2-CD1 4.14Å; F380-L400 HydrophobicContact CD2-CD2 3.86Å; F380-L400 HydrophobicContact CD2-CG 4.46Å; F380-L400 HydrophobicContact CE2-CD1 4.47Å; F380-L400 HydrophobicContact CE2-CD2 4.18Å; F380-L400 HydrophobicContact CG-CD1 4.17Å; F380-T401 CarbonylContact C-O 3.57Å; F380-T401 WeakPolarHBondContact CA-O 3.25Å; F380-F402 HydrophobicContact CB-CD1 3.91Å; F380-F402 HydrophobicContact CB-CE1 4.08Å; F380-F402 HydrophobicContact CB-CG 4.45Å; F380-F402 HydrophobicContact CD1-CE1 4.36Å
381A89.2Confident88.5Confident60 Ų6064.9 Ų64.950%0.49633%0.334SS..EExtended strand (participates in β ladder)trans-113.9151.3166.400000109.6R383 L400 T401A381-R383 PolarHBondContact O-N 2.75Å; A381-L400 CarbonylContact O-C 3.54Å; A381-L400 WeakPolarHBondContact O-CA 3.36Å; A381-T401 PolarHBondContact N-O 2.06Å; A381-T401 PolarHBondContact O-N 2.94Å
382I90.2Very high88.8Confident32 Ų3268.5 Ų68.516%0.16435%0.347CS..EExtended strand (participates in β ladder)trans-79.3113.2170.9-61.3172.5000107.4L374 F398 L400L374-I382 HydrophobicContact CB-CD1 3.91Å; L374-I382 HydrophobicContact CD1-CD1 3.69Å; L374-I382 HydrophobicContact CG-CD1 4.43Å; I382-F398 HydrophobicContact CD1-CD1 4.07Å; I382-F398 HydrophobicContact CD1-CE1 4.02Å; I382-F398 HydrophobicContact CG1-CD1 4.36Å; I382-F398 HydrophobicContact CG2-CD1 3.73Å; I382-F398 HydrophobicContact CG2-CE1 4.34Å; I382-L400 HydrophobicContact CG1-CD2 4.18Å
383R90Very high89.2Confident162 Ų16264.2 Ų64.261%0.61133%0.325SS*.EExtended strand (participates in β ladder)trans-76.1-49.3176.4-172.5179.679.4177.44.6110.6A381 V399A381-R383 PolarHBondContact O-N 2.75Å; R383-V399 WeakPolarHBondContact CB-O 3.2Å; R383-V399 PolarHBondContact N-O 3.25Å
384S91.2Very high89.5Confident54 Ų5461.5 Ų61.538%0.37831%0.313SS..EExtended strand (participates in β ladder)trans-152156.6179.153.70000109.1V399S384-V399 PolarHBondContact N-O 3.38Å; S384-V399 PolarHBondContact O-N 3.18Å; S384-V399 WeakPolarHBondContact OG-CB 3.11Å; S384-V399 WeakPolarHBondContact OG-CG2 3.05Å
385G92Very high89.9Confident16 Ų1660.9 Ų60.917%0.16531%0.31CS..EExtended strand (participates in β ladder)trans-155162.617000000112.3D397G385-D397 CarbonylContact C-O 3.5Å; G385-D397 WeakPolarHBondContact CA-O 3.17Å
386R92.6Very high90.6Very high110 Ų11057 Ų5742%0.41528%0.284SS..EExtended strand (participates in β ladder)trans-131.4147.9178.5-67.4176.3-68.6-162.2-2.5109S191 Y388 F396 D397S191-R386 VanDerWaalsContact CB-NH2 3.32Å; S191-R386 PolarHBondContact OG-NH2 2.87Å; R386-Y388 HydrophobicContact CB-CE2 3.84Å; R386-Y388 VanDerWaalsContact CD-OH 3.22Å; R386-Y388 WeakPolarHBondContact CD-OH 3.25Å; R386-Y388 PolarHBondContact NE-OH 3.36Å; R386-F396 WeakPolarHBondContact O-CA 3.37Å; R386-D397 HydrophobicContact CB-CB 4.5Å; R386-D397 IonicContact CZ-OD2 3.48Å; R386-D397 PolarHBondContact N-O 3.24Å; R386-D397 IonicContact NE-OD2 3.72Å; R386-D397 PolarHBondContact NE-OD2 2.76Å; R386-D397 IonicContact NH2-OD2 3.34Å; R386-D397 PolarHBondContact NH2-OD2 2.82Å; R386-D397 PolarHBondContact O-N 3.46Å
387A94Very high91.2Very high22 Ų2247.7 Ų47.718%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-117.3125173.200000107.8P317 I394 E395 F396P317-A387 HydrophobicContact CB-CB 4.35Å; P317-A387 HydrophobicContact CG-CB 4.34Å; A387-I394 HydrophobicContact CB-CG2 4.31Å; A387-E395 CarbonylContact C-O 3.57Å; A387-E395 VanDerWaalsContact CA-O 3.31Å; A387-E395 WeakPolarHBondContact CA-O 3.41Å; A387-F396 HydrophobicContact CB-CD1 3.86Å; A387-F396 HydrophobicContact CB-CE1 3.79Å
388Y93.6Very high91.7Very high85 Ų8546.9 Ų46.933%0.33324%0.241SC..EExtended strand (participates in β ladder)trans-113.6136.4175.3-54.4-80.2000109.1R386 I394 E395 D397R386-Y388 HydrophobicContact CB-CE2 3.84Å; R386-Y388 VanDerWaalsContact CD-OH 3.22Å; R386-Y388 WeakPolarHBondContact CD-OH 3.25Å; R386-Y388 PolarHBondContact NE-OH 3.36Å; Y388-I394 WeakPolarHBondContact O-CA 3.45Å; Y388-I394 WeakPolarHBondContact O-CG2 3.26Å; Y388-E395 HydrophobicContact CD2-CG 4.41Å; Y388-E395 PolarHBondContact N-O 3.31Å; Y388-E395 PolarHBondContact O-N 2.87Å; Y388-D397 HydrophobicContact CE2-CB 4Å
389L95Very high92.2Very high22 Ų2243.7 Ų43.712%0.11522%0.218CC..EExtended strand (participates in β ladder)trans-90.5128.4175.8-64179.2000109.5I274 D275 V279 P317 I394I274-L389 HydrophobicContact CG2-CD2 4.1Å; D275-L389 VanDerWaalsContact O-CB 3.29Å; D275-L389 WeakPolarHBondContact O-CB 3.26Å; V279-L389 HydrophobicContact CG2-CD2 3.7Å; P317-L389 HydrophobicContact CG-CD2 3.66Å; P317-L389 HydrophobicContact CG-CG 4.36Å; L389-I394 HydrophobicContact CD2-CD1 4.27Å; L389-I394 HydrophobicContact CD2-CG1 3.85Å; L389-I394 HydrophobicContact CD2-CG2 4.34Å
390L93.9Very high92.6Very high14 Ų1443.4 Ų43.47%0.07322%0.217CC..EExtended strand (participates in β ladder)trans-112.6170174.8-51.4-177.5000108.7I184 I187 Y199 K392 A393 E395I184-L390 HydrophobicContact CG2-CD1 4.18Å; I187-L390 HydrophobicContact CD1-CD2 3.21Å; I187-L390 HydrophobicContact CG1-CD2 3.49Å; I187-L390 VanDerWaalsContact CG1-CD2 3.49Å; Y199-L390 HydrophobicContact CD1-CD1 3.97Å; Y199-L390 HydrophobicContact CE1-CD1 4.02Å; L390-K392 PolarHBondContact O-N 3.47Å; L390-K392 VanDerWaalsContact O-N 3.1Å; L390-A393 WeakPolarHBondContact CA-O 3.24Å; L390-A393 HydrophobicContact CB-CB 4.24Å; L390-A393 WeakPolarHBondContact CB-O 3.44Å; L390-A393 HydrophobicContact CD1-CB 4.43Å; L390-A393 PolarHBondContact N-O 3.48Å; L390-E395 HydrophobicContact CD1-CB 4.12Å; L390-E395 HydrophobicContact CG-CB 4.4Å
391D93.7Very high92.7Very high111 Ų11144.2 Ų44.259%0.59423%0.226SC*.THydrogen-bonded Turntrans-62.4114.9166.1-175.145.8000109.3A393D391-A393 PolarHBondContact O-N 3.48Å
392K95Very high92.7Very high88 Ų8845.8 Ų45.838%0.38322%0.222SC..THydrogen-bonded Turntrans60.721178.6-52.4174.8-174.3175.30115.6P182 S201 E202 I274 L390P182-K392 HydrophobicContact CB-CD 4.15Å; P182-K392 HydrophobicContact CG-CB 3.65Å; P182-K392 HydrophobicContact CG-CD 3.85Å; P182-K392 HydrophobicContact CG-CG 4.41Å; S201-K392 CarbonylContact C-O 3.56Å; E202-K392 HydrophobicContact CB-CB 4.15Å; E202-K392 WeakPolarHBondContact CB-O 3.37Å; E202-K392 PolarHBondContact N-O 3.37Å; I274-K392 WeakPolarHBondContact O-CA 3.45Å; I274-K392 PolarHBondContact O-N 2.96Å; L390-K392 PolarHBondContact O-N 3.47Å; L390-K392 VanDerWaalsContact O-N 3.1Å
393A95.1Very high92.6Very high1 Ų147.9 Ų47.91%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-155.3160.9176.500000112.6I184 I200 I274 L390 D391I184-A393 HydrophobicContact CD1-CB 4.2Å; I184-A393 HydrophobicContact CG1-CB 4.24Å; I184-A393 HydrophobicContact CG2-CB 4.18Å; I200-A393 CarbonylContact O-C 3.51Å; I200-A393 VanDerWaalsContact O-CA 3.25Å; I200-A393 WeakPolarHBondContact O-CA 3.47Å; I274-A393 VanDerWaalsContact CG2-O 3.3Å; I274-A393 WeakPolarHBondContact CG2-O 3.5Å; L390-A393 WeakPolarHBondContact CA-O 3.24Å; L390-A393 HydrophobicContact CB-CB 4.24Å; L390-A393 WeakPolarHBondContact CB-O 3.44Å; L390-A393 HydrophobicContact CD1-CB 4.43Å; L390-A393 PolarHBondContact N-O 3.48Å; D391-A393 PolarHBondContact O-N 3.48Å
394I95Very high92.4Very high20 Ų2047.1 Ų47.110%0.10324%0.237CC..EExtended strand (participates in β ladder)trans-116.8129.5169.5-49.4176.1000107.8Y199 I200 I274 V279 P317 A387 Y388 L389 F396Y199-I394 WeakPolarHBondContact CA-O 3.15Å; I200-I394 PolarHBondContact N-O 2.7Å; I200-I394 PolarHBondContact O-N 2.9Å; I274-I394 HydrophobicContact CD1-CD1 4.08Å; I274-I394 HydrophobicContact CD1-CG1 3.88Å; I274-I394 HydrophobicContact CG2-CG1 3.94Å; V279-I394 HydrophobicContact CG2-CD1 4.12Å; P317-I394 HydrophobicContact CG-CD1 4.26Å; P317-I394 HydrophobicContact CG-CG2 4.44Å; A387-I394 HydrophobicContact CB-CG2 4.31Å; Y388-I394 WeakPolarHBondContact O-CA 3.45Å; Y388-I394 WeakPolarHBondContact O-CG2 3.26Å; L389-I394 HydrophobicContact CD2-CD1 4.27Å; L389-I394 HydrophobicContact CD2-CG1 3.85Å; L389-I394 HydrophobicContact CD2-CG2 4.34Å; I394-F396 HydrophobicContact CB-CE2 3.85Å; I394-F396 HydrophobicContact CB-CZ 4.06Å; I394-F396 HydrophobicContact CD1-CZ 4.38Å; I394-F396 HydrophobicContact CG2-CD1 4.4Å; I394-F396 HydrophobicContact CG2-CD2 4.19Å; I394-F396 HydrophobicContact CG2-CE1 3.87Å; I394-F396 HydrophobicContact CG2-CE2 3.61Å; I394-F396 HydrophobicContact CG2-CZ 3.46Å; I394-F396 VanDerWaalsContact CG2-CZ 3.46Å
395E93.9Very high92.1Very high9 Ų951.5 Ų51.54%0.04225%0.25CC..EExtended strand (participates in β ladder)trans-96125.5169.4-179.9-174.9144.700109.1V197 Y199 A387 Y388 L390V197-E395 HydrophobicContact CG1-CG 3.75Å; Y199-E395 HydrophobicContact CD1-CB 3.91Å; Y199-E395 HydrophobicContact CD1-CG 4.03Å; Y199-E395 HydrophobicContact CE1-CB 3.82Å; Y199-E395 HydrophobicContact CE1-CG 3.57Å; Y199-E395 WeakPolarHBondContact CE1-OE2 3.34Å; A387-E395 CarbonylContact C-O 3.57Å; A387-E395 VanDerWaalsContact CA-O 3.31Å; A387-E395 WeakPolarHBondContact CA-O 3.41Å; Y388-E395 HydrophobicContact CD2-CG 4.41Å; Y388-E395 PolarHBondContact N-O 3.31Å; Y388-E395 PolarHBondContact O-N 2.87Å; L390-E395 HydrophobicContact CD1-CB 4.12Å; L390-E395 HydrophobicContact CG-CB 4.4Å
396F93.5Very high91.6Very high11 Ų1152.2 Ų52.25%0.04825%0.251CS..EExtended strand (participates in β ladder)trans-108.8119171.5-61-81.3000109.6V197 I198 I200 I319 L324 R386 A387 I394 F398V197-F396 CarbonylContact C-O 3.55Å; V197-F396 VanDerWaalsContact CA-O 3.3Å; V197-F396 WeakPolarHBondContact CA-O 3.16Å; I198-F396 HydrophobicContact CB-CB 4.38Å; I198-F396 PolarHBondContact N-O 3.22Å; I198-F396 PolarHBondContact O-N 3.35Å; I200-F396 HydrophobicContact CB-CE2 4.25Å; I200-F396 HydrophobicContact CD1-CD2 4.03Å; I200-F396 HydrophobicContact CD1-CE2 3.56Å; I200-F396 HydrophobicContact CG1-CD2 4.07Å; I200-F396 HydrophobicContact CG1-CE2 3.82Å; I319-F396 HydrophobicContact CD1-CD1 3.92Å; L324-F396 HydrophobicContact CD1-CE1 3.65Å; L324-F396 HydrophobicContact CD1-CZ 4.33Å; L324-F396 HydrophobicContact CD2-CE1 4.04Å; L324-F396 HydrophobicContact CD2-CZ 3.99Å; L324-F396 HydrophobicContact CG-CE1 4.49Å; R386-F396 WeakPolarHBondContact O-CA 3.37Å; A387-F396 HydrophobicContact CB-CD1 3.86Å; A387-F396 HydrophobicContact CB-CE1 3.79Å; I394-F396 HydrophobicContact CB-CE2 3.85Å; I394-F396 HydrophobicContact CB-CZ 4.06Å; I394-F396 HydrophobicContact CD1-CZ 4.38Å; I394-F396 HydrophobicContact CG2-CD1 4.4Å; I394-F396 HydrophobicContact CG2-CD2 4.19Å; I394-F396 HydrophobicContact CG2-CE1 3.87Å; I394-F396 HydrophobicContact CG2-CE2 3.61Å; I394-F396 HydrophobicContact CG2-CZ 3.46Å; I394-F396 VanDerWaalsContact CG2-CZ 3.46Å; F396-F398 HydrophobicContact CB-CD2 4.21Å; F396-F398 HydrophobicContact CB-CE2 3.36Å; F396-F398 HydrophobicContact CB-CZ 3.63Å; F396-F398 HydrophobicContact CD1-CZ 4.37Å; F396-F398 HydrophobicContact CG-CE2 4.31Å; F396-F398 HydrophobicContact CG-CZ 4.23Å
397D92.3Very high90.9Very high2 Ų249.6 Ų49.61%0.01125%0.245CC..EExtended strand (participates in β ladder)trans-105.9121.7177.9170.217.7000109S194 G385 R386 Y388S194-D397 WeakPolarHBondContact CB-OD1 3.33Å; S194-D397 PolarHBondContact OG-OD1 2.92Å; S194-D397 PolarHBondContact OG-OD2 2.91Å; G385-D397 CarbonylContact C-O 3.5Å; G385-D397 WeakPolarHBondContact CA-O 3.17Å; R386-D397 HydrophobicContact CB-CB 4.5Å; R386-D397 IonicContact CZ-OD2 3.48Å; R386-D397 PolarHBondContact N-O 3.24Å; R386-D397 IonicContact NE-OD2 3.72Å; R386-D397 PolarHBondContact NE-OD2 2.76Å; R386-D397 IonicContact NH2-OD2 3.34Å; R386-D397 PolarHBondContact NH2-OD2 2.82Å; R386-D397 PolarHBondContact O-N 3.46Å; Y388-D397 HydrophobicContact CE2-CB 4Å
398F92.9Very high90Very high11 Ų1153.2 Ų53.25%0.04826%0.26CS..EExtended strand (participates in β ladder)trans-121.6136-177.4-60.3-75.6000112.5M195 L196 I198 I319 L374 I382 F396 L400M195-F398 PolarHBondContact N-O 2.87Å; L196-F398 HydrophobicContact CB-CB 4.28Å; L196-F398 HydrophobicContact CD2-CD2 4.29Å; L196-F398 HydrophobicContact CG-CD2 4.32Å; L196-F398 PolarHBondContact N-O 2.85Å; L196-F398 VanDerWaalsContact N-O 3.15Å; L196-F398 PolarHBondContact O-N 2.82Å; I198-F398 HydrophobicContact CD1-CD2 4.47Å; I198-F398 HydrophobicContact CD1-CE2 4.04Å; I319-F398 HydrophobicContact CD1-CD1 4.11Å; I319-F398 HydrophobicContact CD1-CE1 3.33Å; I319-F398 HydrophobicContact CD1-CZ 3.81Å; I319-F398 HydrophobicContact CG1-CE1 4.45Å; L374-F398 HydrophobicContact CD1-CE1 3.81Å; L374-F398 HydrophobicContact CD1-CZ 4.32Å; I382-F398 HydrophobicContact CD1-CD1 4.07Å; I382-F398 HydrophobicContact CD1-CE1 4.02Å; I382-F398 HydrophobicContact CG1-CD1 4.36Å; I382-F398 HydrophobicContact CG2-CD1 3.73Å; I382-F398 HydrophobicContact CG2-CE1 4.34Å; F396-F398 HydrophobicContact CB-CD2 4.21Å; F396-F398 HydrophobicContact CB-CE2 3.36Å; F396-F398 HydrophobicContact CB-CZ 3.63Å; F396-F398 HydrophobicContact CD1-CZ 4.37Å; F396-F398 HydrophobicContact CG-CE2 4.31Å; F396-F398 HydrophobicContact CG-CZ 4.23Å; F398-L400 HydrophobicContact CB-CD2 4.07Å
399V92.2Very high89.4Confident12 Ų1254.3 Ų54.37%0.07327%0.269CS..EExtended strand (participates in β ladder)trans-99.5125.8163-172.10000108.1R383 S384R383-V399 WeakPolarHBondContact CB-O 3.2Å; R383-V399 PolarHBondContact N-O 3.25Å; S384-V399 PolarHBondContact N-O 3.38Å; S384-V399 PolarHBondContact O-N 3.18Å; S384-V399 WeakPolarHBondContact OG-CB 3.11Å; S384-V399 WeakPolarHBondContact OG-CG2 3.05Å
400L91.4Very high88.4Confident15 Ų1556.5 Ų56.58%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-101.9153.8-176.3-54.5-177.8000110.5M195 L196 F380 A381 I382 F398 F402M195-L400 HydrophobicContact CB-CB 4.4Å; M195-L400 HydrophobicContact CB-CD1 4.46Å; M195-L400 HydrophobicContact CB-CG 4.16Å; M195-L400 HydrophobicContact SD-CB 3.99Å; M195-L400 VanDerWaalsContact SD-O 3.41Å; L196-L400 HydrophobicContact CB-CD1 4.09Å; L196-L400 HydrophobicContact CB-CG 4.47Å; L196-L400 HydrophobicContact CD2-CD1 4.45Å; F380-L400 HydrophobicContact CB-CB 4.39Å; F380-L400 HydrophobicContact CD1-CD1 4.47Å; F380-L400 HydrophobicContact CD2-CD1 4.14Å; F380-L400 HydrophobicContact CD2-CD2 3.86Å; F380-L400 HydrophobicContact CD2-CG 4.46Å; F380-L400 HydrophobicContact CE2-CD1 4.47Å; F380-L400 HydrophobicContact CE2-CD2 4.18Å; F380-L400 HydrophobicContact CG-CD1 4.17Å; A381-L400 CarbonylContact O-C 3.54Å; A381-L400 WeakPolarHBondContact O-CA 3.36Å; I382-L400 HydrophobicContact CG1-CD2 4.18Å; F398-L400 HydrophobicContact CB-CD2 4.07Å; L400-F402 HydrophobicContact CB-CE2 4.25Å; L400-F402 HydrophobicContact CB-CZ 4.49Å; L400-F402 HydrophobicContact CD1-CZ 4.26Å
401T90.7Very high87.2Confident71 Ų7159.1 Ų59.144%0.43629%0.291SS..EExtended strand (participates in β ladder)trans-121.7120164.7-60.40000107.4F380 A381F380-T401 CarbonylContact C-O 3.57Å; F380-T401 WeakPolarHBondContact CA-O 3.25Å; A381-T401 PolarHBondContact N-O 2.06Å; A381-T401 PolarHBondContact O-N 2.94Å
402F89.2Confident86Confident93 Ų9358.7 Ų58.741%0.40829%0.288SS..EExtended strand (participates in β ladder)trans-83.8141.6-179.3-69.4-86.5000110.9M195 I379 F380 L400 E404 L407M195-F402 HydrophobicContact SD-CE2 4.2Å; I379-F402 WeakPolarHBondContact O-CA 3.37Å; F380-F402 HydrophobicContact CB-CD1 3.91Å; F380-F402 HydrophobicContact CB-CE1 4.08Å; F380-F402 HydrophobicContact CB-CG 4.45Å; F380-F402 HydrophobicContact CD1-CE1 4.36Å; L400-F402 HydrophobicContact CB-CE2 4.25Å; L400-F402 HydrophobicContact CB-CZ 4.49Å; L400-F402 HydrophobicContact CD1-CZ 4.26Å; F402-E404 PolarHBondContact O-N 3.29Å; F402-E404 VanDerWaalsContact O-N 3.13Å; F402-L407 HydrophobicContact CB-CD1 3.6Å; F402-L407 HydrophobicContact CD1-CD1 4.06Å; F402-L407 HydrophobicContact CG-CD1 4.1Å
403N87.9Confident84.7Confident76 Ų7657.5 Ų57.541%0.40630%0.301SS..  trans-80.793.6172.1-174.7-29.2000108.6I379 K405 V406 L407I379-N403 PolarHBondContact O-N 2.85Å; N403-K405 VanDerWaalsContact C-N 3.26Å; N403-K405 PolarHBondContact O-N 2.96Å; N403-K405 PolarHBondContact OD1-N 3.47Å; N403-V406 HydrophobicContact CB-CB 4.11Å; N403-V406 HydrophobicContact CB-CG2 4.25Å; N403-V406 WeakPolarHBondContact ND2-CG2 3.41Å; N403-V406 PolarHBondContact O-N 3.38Å; N403-V406 VanDerWaalsContact O-N 3.15Å; N403-V406 PolarHBondContact OD1-N 3.35Å; N403-V406 VanDerWaalsContact OD1-N 3.11Å; N403-L407 WeakPolarHBondContact O-CG 3.45Å; N403-L407 PolarHBondContact O-N 2.79Å
404E84.8Confident83.1Confident147 Ų14759.1 Ų59.169%0.68731%0.309SS*.Hα-helixtrans-54.6-41-178.3-68.4179.3-177.100112.4F402 V406 L407 L408F402-E404 PolarHBondContact O-N 3.29Å; F402-E404 VanDerWaalsContact O-N 3.13Å; E404-V406 PolarHBondContact O-N 2.87Å; E404-L407 PolarHBondContact O-N 2.9Å; E404-L408 VanDerWaalsContact O-CB 3.28Å; E404-L408 WeakPolarHBondContact O-CB 3.05Å; E404-L408 VanDerWaalsContact O-CG 3.25Å; E404-L408 WeakPolarHBondContact O-CG 3.08Å; E404-L408 PolarHBondContact O-N 3.36Å
405K85.4Confident81.5Confident146 Ų14661.4 Ų61.464%0.63532%0.319SS*.Hα-helixtrans-61-46.9178.3-175179.2178.3-179.70111.6N403 L408 E409N403-K405 VanDerWaalsContact C-N 3.26Å; N403-K405 PolarHBondContact O-N 2.96Å; N403-K405 PolarHBondContact OD1-N 3.47Å; K405-L408 PolarHBondContact O-N 3.1Å; K405-E409 WeakPolarHBondContact CE-OE1 3.24Å; K405-E409 WeakPolarHBondContact O-CB 3.37Å; K405-E409 VanDerWaalsContact O-CG 3.3Å; K405-E409 WeakPolarHBondContact O-CG 3.09Å; K405-E409 PolarHBondContact O-N 3.43Å
406V82Confident79.5Confident31 Ų3162.6 Ų62.619%0.18833%0.333CS..Hα-helixtrans-68.4-36.7178.5173.30000111.3I379 N403 E404 K410I379-V406 HydrophobicContact CG2-CG1 4.25Å; N403-V406 HydrophobicContact CB-CB 4.11Å; N403-V406 HydrophobicContact CB-CG2 4.25Å; N403-V406 WeakPolarHBondContact ND2-CG2 3.41Å; N403-V406 PolarHBondContact O-N 3.38Å; N403-V406 VanDerWaalsContact O-N 3.15Å; N403-V406 PolarHBondContact OD1-N 3.35Å; N403-V406 VanDerWaalsContact OD1-N 3.11Å; E404-V406 PolarHBondContact O-N 2.87Å; V406-K410 HydrophobicContact CG1-CD 4.32Å; V406-K410 WeakPolarHBondContact O-CB 3.17Å; V406-K410 VanDerWaalsContact O-CG 3.29Å; V406-K410 WeakPolarHBondContact O-CG 3.17Å; V406-K410 PolarHBondContact O-N 3.1Å
407L77.2Confident77.5Confident55 Ų5563.5 Ų63.529%0.28835%0.346SS..Hα-helixtrans-63.3-49.6173.7-75.8178.7000110.7I379 F402 N403 E404 E409 K410 L411I379-L407 HydrophobicContact CB-CD2 4.46Å; I379-L407 HydrophobicContact CG2-CD2 4.48Å; F402-L407 HydrophobicContact CB-CD1 3.6Å; F402-L407 HydrophobicContact CD1-CD1 4.06Å; F402-L407 HydrophobicContact CG-CD1 4.1Å; N403-L407 WeakPolarHBondContact O-CG 3.45Å; N403-L407 PolarHBondContact O-N 2.79Å; E404-L407 PolarHBondContact O-N 2.9Å; L407-E409 PolarHBondContact O-N 3.49Å; L407-K410 CarbonylContact O-C 3.59Å; L407-K410 PolarHBondContact O-N 2.75Å; L407-K410 VanDerWaalsContact O-N 3.13Å; L407-L411 WeakPolarHBondContact O-CB 3.3Å; L407-L411 WeakPolarHBondContact O-CG 3.49Å; L407-L411 PolarHBondContact O-N 3.31Å
408L75.9Confident75.4Confident97 Ų9764.7 Ų64.751%0.50835%0.352SS..Hα-helixtrans-62.6-39.4177.2-72.8172.9000111.8E404 K405 K410 L411 N412E404-L408 VanDerWaalsContact O-CB 3.28Å; E404-L408 WeakPolarHBondContact O-CB 3.05Å; E404-L408 VanDerWaalsContact O-CG 3.25Å; E404-L408 WeakPolarHBondContact O-CG 3.08Å; E404-L408 PolarHBondContact O-N 3.36Å; K405-L408 PolarHBondContact O-N 3.1Å; L408-K410 VanDerWaalsContact C-N 3.32Å; L408-K410 PolarHBondContact O-N 2.83Å; L408-L411 HydrophobicContact CD2-CD1 4.49Å; L408-L411 CarbonylContact O-C 3.49Å; L408-L411 PolarHBondContact O-N 3.43Å; L408-N412 WeakPolarHBondContact O-CB 3.24Å; L408-N412 PolarHBondContact O-N 3.08Å; L408-N412 PolarHBondContact O-ND2 2.77Å; L408-N412 PolarHBondContact O-OD1 2.72Å
409E80.1Confident72.8Confident109 Ų10972.1 Ų72.151%0.50939%0.389SS..Hα-helixtrans-62-39.5173-78.7172.7-173.900111.7K405 L407 N412 G413K405-E409 WeakPolarHBondContact CE-OE1 3.24Å; K405-E409 WeakPolarHBondContact O-CB 3.37Å; K405-E409 VanDerWaalsContact O-CG 3.3Å; K405-E409 WeakPolarHBondContact O-CG 3.09Å; K405-E409 PolarHBondContact O-N 3.43Å; L407-E409 PolarHBondContact O-N 3.49Å; E409-N412 PolarHBondContact O-N 3.46Å; E409-G413 PolarHBondContact O-N 2.82Å
410K73.5Confident70.2Confident68 Ų6878.2 Ų78.230%0.29643%0.432SS..Hα-helixtrans-71.4-39175.8-74178.1-179.9-1760112.5I379 V406 L407 L408 N412 G413 L414I379-K410 HydrophobicContact CG2-CD 4.25Å; V406-K410 HydrophobicContact CG1-CD 4.32Å; V406-K410 WeakPolarHBondContact O-CB 3.17Å; V406-K410 VanDerWaalsContact O-CG 3.29Å; V406-K410 WeakPolarHBondContact O-CG 3.17Å; V406-K410 PolarHBondContact O-N 3.1Å; L407-K410 CarbonylContact O-C 3.59Å; L407-K410 PolarHBondContact O-N 2.75Å; L407-K410 VanDerWaalsContact O-N 3.13Å; L408-K410 VanDerWaalsContact C-N 3.32Å; L408-K410 PolarHBondContact O-N 2.83Å; K410-N412 VanDerWaalsContact C-N 3.35Å; K410-G413 PolarHBondContact O-N 3.29Å; K410-L414 WeakPolarHBondContact O-CG 3.11Å; K410-L414 PolarHBondContact O-N 3.19Å
411L69.7Low69.1Low69 Ų6981.4 Ų81.436%0.36145%0.45SS..Hα-helixtrans-66.2-38.4173-67.1167.2000110.3L407 L408 G413 L414 F415L407-L411 WeakPolarHBondContact O-CB 3.3Å; L407-L411 WeakPolarHBondContact O-CG 3.49Å; L407-L411 PolarHBondContact O-N 3.31Å; L408-L411 HydrophobicContact CD2-CD1 4.49Å; L408-L411 CarbonylContact O-C 3.49Å; L408-L411 PolarHBondContact O-N 3.43Å; L411-G413 VanDerWaalsContact C-N 3.31Å; L411-G413 PolarHBondContact O-N 2.75Å; L411-L414 HydrophobicContact CD2-CD1 4.07Å; L411-L414 CarbonylContact O-C 3.4Å; L411-L414 WeakPolarHBondContact O-CA 3.22Å; L411-L414 VanDerWaalsContact O-CB 3.28Å; L411-L414 WeakPolarHBondContact O-CB 3.41Å; L411-L414 PolarHBondContact O-N 2.99Å; L411-F415 HydrophobicContact CB-CD2 4.07Å; L411-F415 HydrophobicContact CB-CE2 4.18Å; L411-F415 HydrophobicContact CD2-CD2 4.47Å; L411-F415 HydrophobicContact CD2-CE2 3.74Å; L411-F415 WeakPolarHBondContact O-CB 3.32Å; L411-F415 WeakPolarHBondContact O-CD2 3.39Å; L411-F415 WeakPolarHBondContact O-CG 3.37Å; L411-F415 PolarHBondContact O-N 3.34Å
412N69.1Low68Low101 Ų10181.9 Ų81.954%0.5445%0.451SS..Hα-helixtrans-69.2-29.4171.3-70.6-15000111.5L408 E409 K410 L414 G416L408-N412 WeakPolarHBondContact O-CB 3.24Å; L408-N412 PolarHBondContact O-N 3.08Å; L408-N412 PolarHBondContact O-ND2 2.77Å; L408-N412 PolarHBondContact O-OD1 2.72Å; E409-N412 PolarHBondContact O-N 3.46Å; K410-N412 VanDerWaalsContact C-N 3.35Å; N412-L414 VanDerWaalsContact C-N 3.29Å; N412-G416 WeakPolarHBondContact O-CA 3.33Å; N412-G416 PolarHBondContact O-N 3.04Å
413G66.7Low66.8Low63 Ų6381.3 Ų81.365%0.64945%0.453SS*.Hα-helixtrans-65-35.2167.200000112.5E409 K410 L411E409-G413 PolarHBondContact O-N 2.82Å; K410-G413 PolarHBondContact O-N 3.29Å; L411-G413 VanDerWaalsContact C-N 3.31Å; L411-G413 PolarHBondContact O-N 2.75Å
414L61.8Low65.5Low35 Ų3581.6 Ų81.618%0.18346%0.456CS..Hα-helixtrans-73.6-43176.3-74157.5000112.3A87 K410 L411 N412A87-L414 HydrophobicContact CB-CD2 3.3Å; A87-L414 HydrophobicContact CB-CG 4.09Å; K410-L414 WeakPolarHBondContact O-CG 3.11Å; K410-L414 PolarHBondContact O-N 3.19Å; L411-L414 HydrophobicContact CD2-CD1 4.07Å; L411-L414 CarbonylContact O-C 3.4Å; L411-L414 WeakPolarHBondContact O-CA 3.22Å; L411-L414 VanDerWaalsContact O-CB 3.28Å; L411-L414 WeakPolarHBondContact O-CB 3.41Å; L411-L414 PolarHBondContact O-N 2.99Å; N412-L414 VanDerWaalsContact C-N 3.29Å
415F60.6Low64.3Low69 Ų6977.6 Ų77.630%0.30344%0.442SS..Hα-helixtrans-117.4-17.1-167.6-54.7-64.6000114.9I80 L411 G417 L418I80-F415 HydrophobicContact CD1-CD1 4.36Å; I80-F415 HydrophobicContact CD1-CE1 3.95Å; I80-F415 HydrophobicContact CG1-CD1 4.1Å; I80-F415 HydrophobicContact CG1-CE1 3.85Å; L411-F415 HydrophobicContact CB-CD2 4.07Å; L411-F415 HydrophobicContact CB-CE2 4.18Å; L411-F415 HydrophobicContact CD2-CD2 4.47Å; L411-F415 HydrophobicContact CD2-CE2 3.74Å; L411-F415 WeakPolarHBondContact O-CB 3.32Å; L411-F415 WeakPolarHBondContact O-CD2 3.39Å; L411-F415 WeakPolarHBondContact O-CG 3.37Å; L411-F415 PolarHBondContact O-N 3.34Å; F415-G417 PolarHBondContact O-N 3.13Å; F415-L418 HydrophobicContact CB-CD1 3.96Å; F415-L418 HydrophobicContact CD1-CD1 3.6Å; F415-L418 HydrophobicContact CG-CD1 4.27Å; F415-L418 WeakPolarHBondContact O-CA 3.33Å; F415-L418 WeakPolarHBondContact O-CB 3.44Å; F415-L418 VanDerWaalsContact O-CG 3.3Å; F415-L418 WeakPolarHBondContact O-CG 3.45Å; F415-L418 PolarHBondContact O-N 3Å
416G53.3Low62.9Low33 Ų3373 Ų7334%0.3443%0.429SS..Hα-helixtrans-66.6-24.9-17600000113.1N412 L418N412-G416 WeakPolarHBondContact O-CA 3.33Å; N412-G416 PolarHBondContact O-N 3.04Å; G416-L418 PolarHBondContact O-N 3.47Å
417G51.8Low61.6Low31 Ų3176 Ų7632%0.3245%0.446SS..Hα-helixtrans-79.810.7165.900000114.6F415F415-G417 PolarHBondContact O-N 3.13Å
418L46.9Very low60.4Low26 Ų2677.6 Ų77.614%0.13646%0.458CS..Hα-helixtrans-104.7-28.2172.7-52.2174.7000112.2K79 I80 F415 G416K79-L418 HydrophobicContact CB-CD2 3.21Å; K79-L418 HydrophobicContact CD-CD2 3.29Å; K79-L418 HydrophobicContact CG-CD2 3.89Å; I80-L418 HydrophobicContact CD1-CD1 4.48Å; I80-L418 HydrophobicContact CG1-CD1 3.91Å; F415-L418 HydrophobicContact CB-CD1 3.96Å; F415-L418 HydrophobicContact CD1-CD1 3.6Å; F415-L418 HydrophobicContact CG-CD1 4.27Å; F415-L418 WeakPolarHBondContact O-CA 3.33Å; F415-L418 WeakPolarHBondContact O-CB 3.44Å; F415-L418 VanDerWaalsContact O-CG 3.3Å; F415-L418 WeakPolarHBondContact O-CG 3.45Å; F415-L418 PolarHBondContact O-N 3Å; G416-L418 PolarHBondContact O-N 3.47Å
419M39.8Very low59.1Low167 Ų16776 Ų7682%0.82345%0.454SS*.Hα-helixtrans-97.5-14-177.6-69.9-74.3-156.600113.6
420S35.9Very low57.2Low141 Ų14173 Ų7399%0.98645%0.449SS*.  trans-87.60164.968.70000110.1

Retrieved 420 of 420 residues in 254.7 ms (Link to these results)

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