A0A096LS33_POEFO Loading...

ADP-ribosylation factor-like 9

AlphaFold DB , UniProt , Accession A0A096LS33, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 183 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
1Q31.7Very low38.5Very low242 Ų242128.5 Ų128.5100%1.13169%0.687SS**  080.80-164.9164.317.400107.7C3Q1-C3 PolarHBondContact O-N 3.35Å
2L32.3Very low39Very low156 Ų156132.8 Ų132.882%0.81770%0.699SS**  trans-88.591.2179.1-80.2161.3000108F4L2-F4 HydrophobicContact CB-CE2 4.34Å; L2-F4 PolarHBondContact O-N 3.28Å
3C33.6Very low39.5Very low108 Ų108126.4 Ų126.473%0.7367%0.672SS**  trans-73.8105.8165-166.90000106.7Q1 V5Q1-C3 PolarHBondContact O-N 3.35Å; C3-V5 PolarHBondContact O-N 3.33Å
4F41.5Very low40Very low134 Ų134131.3 Ų131.359%0.58869%0.689SS**  trans-7595.8170.2-79.6-83.1000108.3L2L2-F4 HydrophobicContact CB-CE2 4.34Å; L2-F4 PolarHBondContact O-N 3.28Å
5V37.9Very low41Very low105 Ų105124.9 Ų124.964%0.63667%0.667SS**  trans-64136.5167.1174.50000108.2C3 Q7C3-V5 PolarHBondContact O-N 3.33Å; V5-Q7 HydrophobicContact CG1-CG 4.23Å; V5-Q7 PolarHBondContact O-N 2.95Å
6F42.7Very low42.4Very low156 Ų156119.6 Ų119.668%0.68464%0.641SS**  trans-56.686.3159.1-105.7-97.9000109
7Q35.8Very low45Very low140 Ų140112.9 Ų112.965%0.65461%0.605SS**  trans-108.396.6152.7-80.8-171.6-3200106.2V5 H9V5-Q7 HydrophobicContact CG1-CG 4.23Å; V5-Q7 PolarHBondContact O-N 2.95Å; Q7-H9 PolarHBondContact O-N 3.49Å; Q7-H9 PolarHBondContact OE1-NE2 3.28Å
8A41.1Very low47.9Very low92 Ų92106.7 Ų106.776%0.7657%0.572SS**  trans-6283.4156.400000106.9
9H38.9Very low50.5Low134 Ų134101.1 Ų101.162%0.6254%0.542SS*.  trans-63.5130.6155.3-74.2-68.3000106Q7 V11Q7-H9 PolarHBondContact O-N 3.49Å; Q7-H9 PolarHBondContact OE1-NE2 3.28Å; H9-V11 PolarHBondContact O-N 3.03Å
10P40.3Very low52.9Low96 Ų9696.2 Ų96.262%0.62352%0.515SS*.  trans-60.3111167.927-29.4000105.5E12P10-E12 HydrophobicContact CB-CG 3.98Å; P10-E12 HydrophobicContact CG-CG 4.2Å; P10-E12 PolarHBondContact O-N 3.24Å
11V47.8Very low55.1Low51 Ų5191.6 Ų91.631%0.30949%0.491SS..  trans-66.291164.3178.80000104.4H9 S13H9-V11 PolarHBondContact O-N 3.03Å; V11-S13 PolarHBondContact O-N 3.2Å
12E44.8Very low58.3Low179 Ų17980 Ų8084%0.83644%0.437SS*.  trans-81.524.9176.2-68.7-168.3161.400111.5P10P10-E12 HydrophobicContact CB-CG 3.98Å; P10-E12 HydrophobicContact CG-CG 4.2Å; P10-E12 PolarHBondContact O-N 3.24Å
13S45.6Very low61.4Low50 Ų5073 Ų7335%0.3540%0.4SS..  trans-97.9114.5172.3-179.60000109.2V11 G15 T16V11-S13 PolarHBondContact O-N 3.2Å; S13-G15 PolarHBondContact O-N 3.05Å; S13-G15 VanDerWaalsContact O-N 3.08Å; S13-T16 PolarHBondContact OG-OG1 3.2Å
14E46.3Very low64.4Low195 Ų19571.7 Ų71.791%0.91139%0.386SS*.SBendtrans-61.6106.6164.6-75.4-173.6148.600108.7
15G54.1Low67.1Low35 Ų3567.4 Ų67.436%0.36138%0.379SS..SBendtrans57.455.815500000118.7S13 L85S13-G15 PolarHBondContact O-N 3.05Å; S13-G15 VanDerWaalsContact O-N 3.08Å; G15-L85 WeakPolarHBondContact O-CD2 3.35Å
16T63.3Low69.9Low40 Ų4062.5 Ų62.525%0.24535%0.35CS..  trans-129.916.4174.438.30000115.6S13S13-T16 PolarHBondContact OG-OG1 3.2Å
17Q87.3Confident72.5Confident7 Ų755.9 Ų55.93%0.03333%0.326CS..EExtended strand (participates in β ladder)trans-99.7137.4-172.969179.724.100113.8E63 Y80 A84 L85Q17-E63 CarbonylContact C-O 3.35Å; Q17-E63 VanDerWaalsContact CA-O 3.31Å; Q17-E63 WeakPolarHBondContact CA-O 3.34Å; Q17-E63 HydrophobicContact CB-CB 4.45Å; Q17-Y80 PolarHBondContact NE2-O 2.93Å; Q17-A84 WeakPolarHBondContact O-CA 3.39Å; Q17-L85 PolarHBondContact O-N 3.22Å
18V96.5Very high75.5Confident0 Ų049.7 Ų49.70%030%0.297CS..EExtended strand (participates in β ladder)trans-83.6121.1161.2177.30000107.7V20 V62 E63 F64 L65 L86 V88 I175 V179V18-V20 HydrophobicContact CG1-CG2 4.43Å; V18-V62 HydrophobicContact CB-CG1 4.47Å; V18-V62 HydrophobicContact CG2-CG1 3.54Å; V18-E63 PolarHBondContact N-O 3.28Å; V18-F64 HydrophobicContact CB-CD1 3.8Å; V18-F64 HydrophobicContact CB-CE1 3.95Å; V18-F64 HydrophobicContact CB-CG 4.25Å; V18-F64 HydrophobicContact CB-CZ 4.48Å; V18-F64 HydrophobicContact CG1-CD1 3.72Å; V18-F64 HydrophobicContact CG1-CE1 3.7Å; V18-F64 HydrophobicContact CG2-CE1 4.29Å; V18-F64 HydrophobicContact CG2-CZ 4.4Å; V18-F64 CarbonylContact O-C 3.6Å; V18-F64 WeakPolarHBondContact O-CA 3.44Å; V18-L65 PolarHBondContact O-N 3.28Å; V18-L86 HydrophobicContact CG1-CB 4.45Å; V18-L86 HydrophobicContact CG1-CD2 4.35Å; V18-L86 HydrophobicContact CG1-CG 4.39Å; V18-L86 HydrophobicContact CG2-CB 4.4Å; V18-V88 HydrophobicContact CG1-CB 4.35Å; V18-V88 HydrophobicContact CG1-CG2 3.51Å; V18-I175 HydrophobicContact CG1-CG2 4.39Å; V18-I175 HydrophobicContact CG2-CG2 3.8Å; V18-V179 HydrophobicContact CG2-CG2 3.69Å
19L97.7Very high78.1Confident0 Ų046.2 Ų46.20%027%0.266CS..EExtended strand (participates in β ladder)trans-93.3122-179.5-174.767.4000109.9L21 L65 I67 T81 A84 L86 L87 V88L19-L21 HydrophobicContact CD1-CD2 4.17Å; L19-L21 HydrophobicContact CD2-CD1 3.79Å; L19-L21 HydrophobicContact CD2-CD2 4.38Å; L19-L21 HydrophobicContact CD2-CG 4.1Å; L19-L21 HydrophobicContact CG-CD1 4.15Å; L19-L21 HydrophobicContact CG-CD2 4.05Å; L19-L21 HydrophobicContact CG-CG 3.88Å; L19-L65 HydrophobicContact CD1-CB 4.29Å; L19-L65 HydrophobicContact CD1-CD2 4.03Å; L19-L65 HydrophobicContact CD1-CG 4.18Å; L19-I67 HydrophobicContact CD1-CD1 4.05Å; L19-I67 HydrophobicContact CD1-CG1 4.15Å; L19-T81 HydrophobicContact CD2-CG2 4.49Å; L19-A84 HydrophobicContact CB-CB 3.71Å; L19-A84 HydrophobicContact CD2-CB 4.37Å; L19-L86 PolarHBondContact N-O 2.93Å; L19-L87 HydrophobicContact CD2-CD1 4.48Å; L19-V88 PolarHBondContact O-N 3.4Å
20V98.5Very high80.8Confident3 Ų341.1 Ų41.12%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-106.7108.5-178.7-171.90000110.5V18 K28 L32 F64 L65 E66 I67 V88 V90V18-V20 HydrophobicContact CG1-CG2 4.43Å; V20-K28 HydrophobicContact CG1-CB 4.12Å; V20-K28 HydrophobicContact CG1-CD 4.41Å; V20-K28 HydrophobicContact CG1-CG 4.18Å; V20-L32 HydrophobicContact CB-CD1 4.35Å; V20-L32 HydrophobicContact CG1-CD1 4.45Å; V20-L32 HydrophobicContact CG2-CD1 4.27Å; V20-L32 HydrophobicContact CG2-CD2 3.98Å; V20-L32 HydrophobicContact CG2-CG 4.39Å; V20-F64 HydrophobicContact CG2-CD1 3.9Å; V20-L65 PolarHBondContact N-O 2.91Å; V20-E66 HydrophobicContact CB-CB 4.44Å; V20-I67 PolarHBondContact O-N 2.91Å; V20-V88 WeakPolarHBondContact CA-O 3.48Å; V20-V88 HydrophobicContact CG1-CG1 4.42Å; V20-V88 HydrophobicContact CG2-CB 4.25Å; V20-V90 HydrophobicContact CG1-CG2 4.07Å
21L98.7Very high83.5Confident0 Ų036.7 Ų36.70%022%0.217CC..EExtended strand (participates in β ladder)trans-123.6171.1-177.9-56.4-177.4000111.6L19 K28 I67 W77 L87 V88 F89 V90 L109L19-L21 HydrophobicContact CD1-CD2 4.17Å; L19-L21 HydrophobicContact CD2-CD1 3.79Å; L19-L21 HydrophobicContact CD2-CD2 4.38Å; L19-L21 HydrophobicContact CD2-CG 4.1Å; L19-L21 HydrophobicContact CG-CD1 4.15Å; L19-L21 HydrophobicContact CG-CD2 4.05Å; L19-L21 HydrophobicContact CG-CG 3.88Å; L21-K28 VanDerWaalsContact C-CD 3.47Å; L21-I67 HydrophobicContact CD2-CB 3.75Å; L21-I67 HydrophobicContact CD2-CD1 4Å; L21-I67 HydrophobicContact CD2-CG1 3.76Å; L21-W77 HydrophobicContact CB-CD2 4.39Å; L21-W77 HydrophobicContact CD1-CB 3.79Å; L21-W77 HydrophobicContact CD1-CD2 4.06Å; L21-W77 HydrophobicContact CD1-CE3 4.28Å; L21-W77 HydrophobicContact CD1-CG 3.88Å; L21-W77 HydrophobicContact CD2-CB 4.34Å; L21-W77 HydrophobicContact CD2-CD2 4.17Å; L21-W77 HydrophobicContact CD2-CG 3.82Å; L21-W77 HydrophobicContact CG-CD2 4.45Å; L21-W77 HydrophobicContact CG-CG 4.4Å; L21-L87 HydrophobicContact CB-CD1 4.12Å; L21-L87 HydrophobicContact CD1-CD1 3.75Å; L21-L87 HydrophobicContact CG-CD1 3.89Å; L21-V88 PolarHBondContact N-O 2.99Å; L21-F89 HydrophobicContact CB-CD2 4.05Å; L21-F89 HydrophobicContact CB-CE2 4.18Å; L21-F89 CarbonylContact O-C 3.6Å; L21-F89 WeakPolarHBondContact O-CA 3.26Å; L21-V90 PolarHBondContact O-N 3.28Å; L21-L109 HydrophobicContact CD1-CD1 3.55Å
22G98.7Very high85.7Confident0 Ų034.3 Ų34.30%020%0.202CC..  trans141.5155.8-17300000110.8K28 G69 W77 V90G22-K28 WeakPolarHBondContact O-CE 3.27Å; G22-K28 PolarHBondContact O-NZ 2.86Å; G22-G69 WeakPolarHBondContact O-CA 3.44Å; G22-W77 VanDerWaalsContact O-CZ2 3.31Å; G22-W77 WeakPolarHBondContact O-CZ2 3.47Å; G22-V90 WeakPolarHBondContact CA-O 3.35Å
23L98.6Very high88Confident9 Ų929.9 Ų29.95%0.04718%0.181CC..  trans-61.2163.9-177.2-58.2-177.4000112.2A26 K28 W77 L98 V101 T102L23-A26 VanDerWaalsContact O-CB 3.25Å; L23-A26 WeakPolarHBondContact O-CB 3.36Å; L23-A26 PolarHBondContact O-N 3.18Å; L23-K28 PolarHBondContact O-NZ 3.07Å; L23-W77 HydrophobicContact CD2-CH2 4.19Å; L23-L98 HydrophobicContact CD1-CB 3.98Å; L23-L98 HydrophobicContact CD1-CD1 4.34Å; L23-V101 HydrophobicContact CD1-CG1 3.76Å; L23-V101 HydrophobicContact CD2-CG2 4.46Å; L23-T102 WeakPolarHBondContact CD1-OG1 3.44Å
24D97.1Very high90.3Very high79 Ų7927.6 Ų27.642%0.42217%0.165SC..THydrogen-bonded Turntrans-57.2143.1170.6-170.248.4000110.8A26 G69D24-A26 PolarHBondContact O-N 2.93Å; D24-G69 PolarHBondContact N-O 3.08Å
25G96.8Very high92.6Very high44 Ų4418.5 Ų18.545%0.45412%0.123SC..THydrogen-bonded Turntrans72.5-2.2-176.600000116.3G27 K124G25-G27 PolarHBondContact O-N 2.97Å; G25-K124 VanDerWaalsContact O-CE 3.27Å; G25-K124 WeakPolarHBondContact O-CE 3.37Å; G25-K124 PolarHBondContact O-NZ 3.28Å
26A98Very high94.3Very high3 Ų320.1 Ų20.13%0.02513%0.128CC..SBendtrans-66.6-18.117900000114.2L23 D24 V90 N123L23-A26 VanDerWaalsContact O-CB 3.25Å; L23-A26 WeakPolarHBondContact O-CB 3.36Å; L23-A26 PolarHBondContact O-N 3.18Å; D24-A26 PolarHBondContact O-N 2.93Å; A26-V90 HydrophobicContact CB-CB 4.44Å; A26-V90 HydrophobicContact CB-CG1 4.14Å; A26-V90 WeakPolarHBondContact O-CG1 3.42Å; A26-N123 PolarHBondContact O-ND2 2.93Å
27G97.1Very high95.4Very high17 Ų1721.7 Ų21.718%0.17514%0.141CC..  trans95.720.8177.600000115.7G25 S30 L31G25-G27 PolarHBondContact O-N 2.97Å; G27-S30 PolarHBondContact O-N 2.94Å; G27-L31 PolarHBondContact O-N 3.41Å
28K97.9Very high95.4Very high9 Ų923 Ų234%0.03916%0.157CC..Hα-helixtrans-51.7-56.5177.2-65.2-178.1-59-68.20112.9V20 L21 G22 L23 S30 L31 L32 E66 I67 V90V20-K28 HydrophobicContact CG1-CB 4.12Å; V20-K28 HydrophobicContact CG1-CD 4.41Å; V20-K28 HydrophobicContact CG1-CG 4.18Å; L21-K28 VanDerWaalsContact C-CD 3.47Å; G22-K28 WeakPolarHBondContact O-CE 3.27Å; G22-K28 PolarHBondContact O-NZ 2.86Å; L23-K28 PolarHBondContact O-NZ 3.07Å; K28-S30 VanDerWaalsContact C-N 3.32Å; K28-S30 PolarHBondContact O-N 2.95Å; K28-L31 PolarHBondContact O-N 3.43Å; K28-L32 PolarHBondContact O-N 3.28Å; K28-E66 HydrophobicContact CB-CG 4.4Å; K28-E66 WeakPolarHBondContact CB-OE1 3.28Å; K28-I67 VanDerWaalsContact CE-O 3.24Å; K28-I67 WeakPolarHBondContact CE-O 3.42Å; K28-V90 HydrophobicContact CB-CG2 4.47Å; K28-V90 HydrophobicContact CG-CB 3.82Å; K28-V90 HydrophobicContact CG-CG1 4.47Å; K28-V90 HydrophobicContact CG-CG2 3.84Å
29T96.1Very high94.7Very high20 Ų2024.2 Ų24.212%0.12317%0.165CC..Hα-helixtrans-64.3-38.6-176.3-35.50000111.5L32 H33 V44 T47 E66T29-L32 PolarHBondContact O-N 2.94Å; T29-H33 PolarHBondContact O-CD2 3.22Å; T29-H33 PolarHBondContact O-N 2.7Å; T29-V44 VanDerWaalsContact CB-CG1 3.49Å; T29-V44 HydrophobicContact CG2-CG1 3.4Å; T29-V44 VanDerWaalsContact CG2-CG1 3.4Å; T29-T47 PolarHBondContact OG1-OG1 3.03Å; T29-E66 WeakPolarHBondContact CA-OE1 3.38Å; T29-E66 WeakPolarHBondContact CB-OE1 3.39Å; T29-E66 PolarHBondContact N-OE1 3.42Å; T29-E66 VanDerWaalsContact OG1-CD 3.32Å; T29-E66 PolarHBondContact OG1-OE1 2.8Å; T29-E66 PolarHBondContact OG1-OE2 3.47Å
30S95.7Very high94.1Very high27 Ų2725.1 Ų25.119%0.18917%0.17CC..Hα-helixtrans-61.4-44.9174.6-570000112.3G27 K28 H33 C34G27-S30 PolarHBondContact O-N 2.94Å; K28-S30 VanDerWaalsContact C-N 3.32Å; K28-S30 PolarHBondContact O-N 2.95Å; S30-H33 PolarHBondContact O-N 3.21Å; S30-C34 PolarHBondContact O-N 3.35Å; S30-C34 PolarHBondContact O-SG 2.98Å
31L96.8Very high93.3Very high2 Ų231.9 Ų31.91%0.0120%0.201CC..Hα-helixtrans-64-41.4175.5-76.8165.2000111.9G27 K28 C34 F35 V90 L121 N123 V157 V168G27-L31 PolarHBondContact O-N 3.41Å; K28-L31 PolarHBondContact O-N 3.43Å; L31-C34 CarbonylContact O-C 3.53Å; L31-C34 WeakPolarHBondContact O-CB 3.45Å; L31-C34 PolarHBondContact O-N 3.28Å; L31-F35 VanDerWaalsContact O-CG 3.27Å; L31-F35 WeakPolarHBondContact O-CG 3.22Å; L31-F35 PolarHBondContact O-N 3.45Å; L31-V90 HydrophobicContact CD1-CG1 3.66Å; L31-V90 HydrophobicContact CD1-CG2 4.04Å; L31-L121 HydrophobicContact CD1-CB 4.47Å; L31-L121 HydrophobicContact CD1-CD1 3.92Å; L31-N123 HydrophobicContact CD1-CB 4.27Å; L31-V157 HydrophobicContact CD2-CG2 3.66Å; L31-V157 HydrophobicContact CG-CG2 4.16Å; L31-V168 HydrophobicContact CD2-CG2 3.74Å
32L95.1Very high92.5Very high2 Ų238.7 Ų38.71%0.0123%0.233CC..Hα-helixtrans-63.1-41.1176.5-81.2179.9000113V20 K28 T29 F35 S36 I53 F64 E66V20-L32 HydrophobicContact CB-CD1 4.35Å; V20-L32 HydrophobicContact CG1-CD1 4.45Å; V20-L32 HydrophobicContact CG2-CD1 4.27Å; V20-L32 HydrophobicContact CG2-CD2 3.98Å; V20-L32 HydrophobicContact CG2-CG 4.39Å; K28-L32 PolarHBondContact O-N 3.28Å; T29-L32 PolarHBondContact O-N 2.94Å; L32-F35 HydrophobicContact CD2-CD2 4.21Å; L32-F35 PolarHBondContact O-N 2.93Å; L32-S36 WeakPolarHBondContact O-CB 3.27Å; L32-S36 PolarHBondContact O-N 2.8Å; L32-S36 VanDerWaalsContact O-N 3.11Å; L32-I53 HydrophobicContact CB-CD1 3.94Å; L32-I53 HydrophobicContact CD2-CD1 4.14Å; L32-I53 HydrophobicContact CG-CD1 4.49Å; L32-F64 HydrophobicContact CD2-CB 3.66Å; L32-F64 HydrophobicContact CD2-CD1 3.55Å; L32-F64 HydrophobicContact CD2-CE1 4.38Å; L32-F64 HydrophobicContact CD2-CG 3.78Å; L32-E66 HydrophobicContact CD1-CB 3.55Å; L32-E66 HydrophobicContact CD1-CG 4.27Å
33H93.1Very high91.8Very high86 Ų8644.7 Ų44.740%0.39827%0.265SS..Hα-helixtrans-58.9-49.1170.5-83.8-66.7000110.8T29 S30 F35 S36 S37 L40T29-H33 PolarHBondContact O-CD2 3.22Å; T29-H33 PolarHBondContact O-N 2.7Å; S30-H33 PolarHBondContact O-N 3.21Å; H33-F35 VanDerWaalsContact C-N 3.33Å; H33-F35 PolarHBondContact O-N 3.04Å; H33-S36 PolarHBondContact O-N 3.37Å; H33-S37 PolarHBondContact O-N 3.49Å; H33-S37 PolarHBondContact O-OG 3Å; H33-L40 HydrophobicContact CB-CD1 3.99Å
34C93.3Very high91.3Very high1 Ų146.6 Ų46.61%0.00728%0.277CS..Hα-helixtrans-58.2-41176.7-74.60000113.4S30 L31 S36 G38 V157 L164 V168S30-C34 PolarHBondContact O-N 3.35Å; S30-C34 PolarHBondContact O-SG 2.98Å; L31-C34 CarbonylContact O-C 3.53Å; L31-C34 WeakPolarHBondContact O-CB 3.45Å; L31-C34 PolarHBondContact O-N 3.28Å; C34-S36 PolarHBondContact O-N 2.93Å; C34-G38 VanDerWaalsContact O-CA 3.31Å; C34-G38 WeakPolarHBondContact O-CA 3.34Å; C34-G38 PolarHBondContact O-N 3.22Å; C34-V157 HydrophobicContact CB-CG2 4.45Å; C34-V157 WeakPolarHBondContact SG-CG1 3.29Å; C34-L164 HydrophobicContact CB-CD1 4.48Å; C34-L164 HydrophobicContact CB-CD2 3.59Å; C34-L164 VanDerWaalsContact SG-CD2 3.59Å; C34-V168 HydrophobicContact CB-CG1 4.05Å
35F93.8Very high91Very high5 Ų550.2 Ų50.22%0.02229%0.292CS..Hα-helixtrans-63.7-30.8176.5-65.7-22.3000112.9L31 L32 H33 I55 F64 L121 V168 A171 R172 I175L31-F35 VanDerWaalsContact O-CG 3.27Å; L31-F35 WeakPolarHBondContact O-CG 3.22Å; L31-F35 PolarHBondContact O-N 3.45Å; L32-F35 HydrophobicContact CD2-CD2 4.21Å; L32-F35 PolarHBondContact O-N 2.93Å; H33-F35 VanDerWaalsContact C-N 3.33Å; H33-F35 PolarHBondContact O-N 3.04Å; F35-I55 HydrophobicContact CB-CD1 3.58Å; F35-F64 HydrophobicContact CD2-CE1 4.25Å; F35-L121 HydrophobicContact CE2-CD1 4.5Å; F35-L121 HydrophobicContact CZ-CD1 4.03Å; F35-V168 HydrophobicContact CD1-CG1 3.8Å; F35-V168 HydrophobicContact CE1-CG1 3.64Å; F35-V168 WeakPolarHBondContact CE1-O 3.35Å; F35-A171 HydrophobicContact CE1-CB 4.32Å; F35-A171 HydrophobicContact CZ-CB 4.16Å; F35-R172 HydrophobicContact CD1-CB 3.79Å; F35-R172 HydrophobicContact CD1-CG 4.29Å; F35-R172 HydrophobicContact CE1-CB 4.02Å; F35-R172 HydrophobicContact CG-CB 4.45Å; F35-R172 PolarHBondContact O-NE 3.22Å; F35-I175 HydrophobicContact CE2-CD1 3.93Å; F35-I175 HydrophobicContact CZ-CD1 4.16Å
36S90.9Very high90.7Very high68 Ų6851 Ų5148%0.47629%0.288SS..Hα-helixtrans-86.8-50.6-177.5-176.30000113.1L32 H33 C34L32-S36 WeakPolarHBondContact O-CB 3.27Å; L32-S36 PolarHBondContact O-N 2.8Å; L32-S36 VanDerWaalsContact O-N 3.11Å; H33-S36 PolarHBondContact O-N 3.37Å; C34-S36 PolarHBondContact O-N 2.93Å
37S86.8Confident90.4Very high74 Ų7451.9 Ų51.952%0.51729%0.293SS..Hα-helixtrans-104.2-9.1-17253.20000114.6H33 S39H33-S37 PolarHBondContact O-N 3.49Å; H33-S37 PolarHBondContact O-OG 3Å; S37-S39 PolarHBondContact O-N 3.29Å; S37-S39 PolarHBondContact OG-O 3.5Å
38G85.7Confident90.1Very high35 Ų3557.5 Ų57.536%0.36132%0.315SS..SBendtrans77.2-1.5-176.400000114.6C34 L164C34-G38 VanDerWaalsContact O-CA 3.31Å; C34-G38 WeakPolarHBondContact O-CA 3.34Å; C34-G38 PolarHBondContact O-N 3.22Å; G38-L164 WeakPolarHBondContact O-CD2 3.41Å; G38-L164 VanDerWaalsContact O-CG 3.25Å; G38-L164 WeakPolarHBondContact O-CG 3.47Å
39S83Confident89.9Confident25 Ų2557.3 Ų57.318%0.17532%0.316CS..SBendtrans-154.8158.9-179.367.70000111.2S37S37-S39 PolarHBondContact O-N 3.29Å; S37-S39 PolarHBondContact OG-O 3.5Å
40L84.9Confident89.7Confident19 Ų1959.4 Ų59.410%0.09933%0.326CS..  trans-111.1108.5169.7-175.371.3000110H33 V44 V157 K159 G160H33-L40 HydrophobicContact CB-CD1 3.99Å; L40-V44 HydrophobicContact CD1-CG2 3.93Å; L40-V157 HydrophobicContact CB-CG1 3.69Å; L40-V157 HydrophobicContact CD2-CG1 3.6Å; L40-V157 HydrophobicContact CG-CG1 4.24Å; L40-K159 WeakPolarHBondContact O-CA 3.33Å; L40-G160 PolarHBondContact O-N 3.46Å
41E80.9Confident89.6Confident145 Ų14558.8 Ų58.868%0.67832%0.321SS*.  trans-96.3-27.2-174.6-59.9-171.1163.700113.8K159E41-K159 WeakPolarHBondContact O-CE 3.46Å
42Q82.1Confident89.4Confident143 Ų14361.2 Ų61.267%0.66834%0.341SS*.SBendtrans-127.6156.2-170.2-61.1-177.73100111.7
43D84.3Confident89.2Confident125 Ų12563 Ų6367%0.66835%0.351SS*.  trans-66.8147.2170.2-57.9-46.3000109.4K159D43-K159 WeakPolarHBondContact OD1-CD 3.31Å; D43-K159 IonicContact OD1-NZ 3.78Å; D43-K159 PolarHBondContact OD1-NZ 3.03Å; D43-K159 IonicContact OD2-NZ 3.81Å; D43-K159 PolarHBondContact OD2-NZ 3.12Å
44V88.3Confident89.2Confident50 Ų5062.5 Ų62.530%0.30336%0.357SS..  trans-117127.1-174.8-171.90000109.7T29 L40T29-V44 VanDerWaalsContact CB-CG1 3.49Å; T29-V44 HydrophobicContact CG2-CG1 3.4Å; T29-V44 VanDerWaalsContact CG2-CG1 3.4Å; L40-V44 HydrophobicContact CD1-CG2 3.93Å
45E90.4Very high89.1Confident155 Ų15562.8 Ų62.872%0.72436%0.358SS*.  trans-82.5152.5176.8-67.4-64.1155.400111.2T47E45-T47 PolarHBondContact O-N 3.05Å
46P90.8Very high88.9Confident59 Ų5965.8 Ų65.838%0.38338%0.379SS..  trans-56.2126.7174.9-25.835.1000112.7Q48P46-Q48 PolarHBondContact O-N 2.97Å; P46-Q48 VanDerWaalsContact O-N 3.12Å; P46-Q48 PolarHBondContact O-NE2 3.14Å
47T91.8Very high88.7Confident22 Ų2265.1 Ų65.114%0.13537%0.368CS..  trans-64.2111.4179-49.50000111.5T29 E45 G49 N51 G68 L73T29-T47 PolarHBondContact OG1-OG1 3.03Å; E45-T47 PolarHBondContact O-N 3.05Å; T47-G49 VanDerWaalsContact C-N 3.29Å; T47-G49 PolarHBondContact O-N 3.08Å; T47-N51 HydrophobicContact CG2-CB 4.27Å; T47-G68 WeakPolarHBondContact O-CA 3.5Å; T47-L73 WeakPolarHBondContact O-CD1 3.43Å
48Q91.6Very high88.7Confident135 Ų13568.6 Ų68.663%0.63138%0.381SS*.SBendtrans-90.243178.8-61.5-59.5-49.100112.8P46P46-Q48 PolarHBondContact O-N 2.97Å; P46-Q48 VanDerWaalsContact O-N 3.12Å; P46-Q48 PolarHBondContact O-NE2 3.14Å
49G93.1Very high88.7Confident6 Ų675.1 Ų75.16%0.06241%0.407CS..SBendtrans160.5-128-177.100000113.2T47 G68T47-G49 VanDerWaalsContact C-N 3.29Å; T47-G49 PolarHBondContact O-N 3.08Å; G49-G68 PolarHBondContact O-N 2.95Å
50L92.6Very high88.8Confident63 Ų6376 Ų7633%0.3341%0.409SS..EExtended strand (participates in β ladder)trans-117145.8177.8-56.4169.9000109.4L65 E66 I67 Y80L50-L65 HydrophobicContact CB-CD1 4.28Å; L50-E66 WeakPolarHBondContact CA-O 3.4Å; L50-I67 HydrophobicContact CD2-CB 3.95Å; L50-I67 HydrophobicContact CD2-CD1 3.78Å; L50-I67 HydrophobicContact CD2-CG1 3.46Å; L50-I67 VanDerWaalsContact CD2-CG1 3.46Å; L50-I67 HydrophobicContact CD2-CG2 3.77Å; L50-Y80 HydrophobicContact CD1-CE1 4.06Å; L50-Y80 HydrophobicContact CD1-CE2 4.23Å; L50-Y80 VanDerWaalsContact CD1-OH 3.27Å; L50-Y80 WeakPolarHBondContact CD1-OH 3.19Å; L50-Y80 HydrophobicContact CD2-CE2 4.11Å
51N92.3Very high89Confident15 Ų1579.6 Ų79.68%0.0843%0.428CS..EExtended strand (participates in β ladder)trans-132.8122.8172.3171.740.3000107.9T47 E66T47-N51 HydrophobicContact CG2-CB 4.27Å; N51-E66 HydrophobicContact CB-CB 4.21Å; N51-E66 PolarHBondContact N-O 2.78Å; N51-E66 PolarHBondContact ND2-OE2 2.85Å; N51-E66 VanDerWaalsContact ND2-OE2 3.13Å; N51-E66 PolarHBondContact O-N 3Å
52A92.5Very high89.5Confident53 Ų5372.7 Ų72.744%0.43840%0.396SS..EExtended strand (participates in β ladder)trans-118.1127.418000000109.2F64 L65A52-F64 VanDerWaalsContact CA-O 3.31Å; A52-F64 WeakPolarHBondContact CA-O 3.13Å; A52-L65 HydrophobicContact CB-CD1 4.09Å
53I91.8Very high90Very high40 Ų4068.3 Ų68.321%0.20538%0.376CS..EExtended strand (participates in β ladder)trans-131.8139.7176.165.7172.6000109.9L32 I55 F64L32-I53 HydrophobicContact CB-CD1 3.94Å; L32-I53 HydrophobicContact CD2-CD1 4.14Å; L32-I53 HydrophobicContact CG-CD1 4.49Å; I53-I55 HydrophobicContact CD1-CD1 3.92Å; I53-I55 HydrophobicContact CD1-CG1 4.07Å; I53-I55 HydrophobicContact CG1-CD1 4.41Å; I53-I55 HydrophobicContact CG1-CG1 4.22Å; I53-F64 HydrophobicContact CG1-CB 4.01Å; I53-F64 PolarHBondContact N-O 2.99Å; I53-F64 PolarHBondContact O-N 3.05Å
54S91.9Very high90.6Very high75 Ų7562.4 Ų62.452%0.52434%0.344SS..EExtended strand (participates in β ladder)trans-94.5128.3169.1-169.50000108.9
55I91.9Very high91Very high6 Ų660.3 Ų60.33%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-115.7125.6175.3-53.4-179.6000107.7F35 I53 V62 F64 F176F35-I55 HydrophobicContact CB-CD1 3.58Å; I53-I55 HydrophobicContact CD1-CD1 3.92Å; I53-I55 HydrophobicContact CD1-CG1 4.07Å; I53-I55 HydrophobicContact CG1-CD1 4.41Å; I53-I55 HydrophobicContact CG1-CG1 4.22Å; I55-V62 PolarHBondContact N-O 3Å; I55-V62 PolarHBondContact O-N 3.04Å; I55-F64 HydrophobicContact CB-CD2 4.22Å; I55-F64 HydrophobicContact CB-CE2 3.99Å; I55-F64 HydrophobicContact CD1-CD2 3.71Å; I55-F64 HydrophobicContact CD1-CE2 3.73Å; I55-F64 HydrophobicContact CD1-CG 4.31Å; I55-F64 HydrophobicContact CD1-CZ 4.31Å; I55-F64 HydrophobicContact CG1-CD2 3.87Å; I55-F64 HydrophobicContact CG1-CE2 4.03Å; I55-F176 HydrophobicContact CB-CZ 4.22Å; I55-F176 HydrophobicContact CG2-CE2 4.19Å; I55-F176 HydrophobicContact CG2-CZ 3.93Å; I55-F176 WeakPolarHBondContact O-CZ 3.29Å
56S89.4Confident91.3Very high68 Ų6852.9 Ų52.948%0.47630%0.297SS..EExtended strand (participates in β ladder)trans-95.6140.1177.8-46.10000111M60 D61S56-M60 WeakPolarHBondContact CA-O 3.48Å; S56-D61 VanDerWaalsContact CB-OD1 3.26Å; S56-D61 WeakPolarHBondContact CB-OD1 3.43Å; S56-D61 PolarHBondContact OG-OD1 2.97Å
57K87.6Confident91.6Very high55 Ų5550.1 Ų50.124%0.23928%0.279CS..EExtended strand (participates in β ladder)trans-140.1122.7165.3-175.9-179.3174175.70107.5D59 M60 D173 F176K57-D59 PolarHBondContact O-N 3.27Å; K57-M60 PolarHBondContact N-O 3.44Å; K57-M60 WeakPolarHBondContact O-CB 3.33Å; K57-M60 PolarHBondContact O-N 3.39Å; K57-D173 IonicContact NZ-OD1 2.93Å; K57-D173 PolarHBondContact NZ-OD1 2.85Å; K57-D173 IonicContact NZ-OD2 3.91Å; K57-F176 HydrophobicContact CB-CD1 3.58Å; K57-F176 HydrophobicContact CB-CD2 4.11Å; K57-F176 HydrophobicContact CB-CE1 3.38Å; K57-F176 HydrophobicContact CB-CE2 3.96Å; K57-F176 HydrophobicContact CB-CG 3.95Å; K57-F176 HydrophobicContact CB-CZ 3.59Å; K57-F176 HydrophobicContact CD-CB 4.01Å; K57-F176 HydrophobicContact CD-CD1 4.22Å; K57-F176 HydrophobicContact CD-CD2 3.88Å; K57-F176 HydrophobicContact CD-CE2 4.43Å; K57-F176 HydrophobicContact CD-CG 3.77Å; K57-F176 HydrophobicContact CG-CD1 4.47Å; K57-F176 HydrophobicContact CG-CG 4.48Å
58D86.7Confident91.8Very high147 Ų14749.1 Ų49.179%0.78627%0.272SS*.THydrogen-bonded Turntrans53-127.4-173-51-47.6000110.9M60D58-M60 VanDerWaalsContact C-N 3.3Å; D58-M60 PolarHBondContact O-N 3.33Å
59D84.4Confident92.1Very high171 Ų17142.7 Ų42.791%0.91424%0.243SC*.THydrogen-bonded Turntrans-91.617.5178.4-61.6-45.6000113.2K57K57-D59 PolarHBondContact O-N 3.27Å
60M85.3Confident92.2Very high45 Ų4543.2 Ų43.222%0.22225%0.248CC..EExtended strand (participates in β ladder)trans-117125.8-177.3-66.3-172.671.100112.5S56 K57 D58S56-M60 WeakPolarHBondContact CA-O 3.48Å; K57-M60 PolarHBondContact N-O 3.44Å; K57-M60 WeakPolarHBondContact O-CB 3.33Å; K57-M60 PolarHBondContact O-N 3.39Å; D58-M60 VanDerWaalsContact C-N 3.3Å; D58-M60 PolarHBondContact O-N 3.33Å
61D89.1Confident92.4Very high93 Ų9347.4 Ų47.450%0.49727%0.266SS..EExtended strand (participates in β ladder)trans-99.3129.9166-65.7-40.2000110.5S56 R183S56-D61 VanDerWaalsContact CB-OD1 3.26Å; S56-D61 WeakPolarHBondContact CB-OD1 3.43Å; S56-D61 PolarHBondContact OG-OD1 2.97Å; D61-R183 PolarHBondContact O-NH2 3.48Å
62V91.4Very high92.5Very high0 Ų051.6 Ų51.60%029%0.288CS..EExtended strand (participates in β ladder)trans-122.1123175.61790000109.2V18 I55 F64 F176 V179V18-V62 HydrophobicContact CB-CG1 4.47Å; V18-V62 HydrophobicContact CG2-CG1 3.54Å; I55-V62 PolarHBondContact N-O 3Å; I55-V62 PolarHBondContact O-N 3.04Å; V62-F64 HydrophobicContact CB-CE2 4.02Å; V62-F64 HydrophobicContact CG1-CD2 4.13Å; V62-F64 HydrophobicContact CG1-CE2 3.66Å; V62-F64 HydrophobicContact CG1-CZ 4.22Å; V62-F64 WeakPolarHBondContact O-CD2 3.33Å; V62-F176 HydrophobicContact CB-CE1 4Å; V62-F176 HydrophobicContact CB-CZ 4.29Å; V62-F176 HydrophobicContact CG2-CD1 3.68Å; V62-F176 HydrophobicContact CG2-CE1 3.48Å; V62-F176 VanDerWaalsContact CG2-CE1 3.48Å; V62-F176 HydrophobicContact CG2-CZ 4.23Å; V62-V179 HydrophobicContact CG1-CG1 4.35Å; V62-V179 HydrophobicContact CG1-CG2 4.26Å; V62-V179 HydrophobicContact CG2-CB 4.32Å; V62-V179 HydrophobicContact CG2-CG1 3.83Å
63E93.8Very high92.7Very high52 Ų5249.7 Ų49.724%0.24327%0.271CS..EExtended strand (participates in β ladder)trans-82.4126.9174.6-174.8176.9-11700109.9Q17 V18Q17-E63 CarbonylContact C-O 3.35Å; Q17-E63 VanDerWaalsContact CA-O 3.31Å; Q17-E63 WeakPolarHBondContact CA-O 3.34Å; Q17-E63 HydrophobicContact CB-CB 4.45Å; V18-E63 PolarHBondContact N-O 3.28Å
64F95.9Very high92.9Very high0 Ų049.5 Ų49.50%027%0.267CS..EExtended strand (participates in β ladder)trans-105.8120.6171.2-71.8-103.9000108.9V18 V20 L32 F35 A52 I53 I55 V62 I175V18-F64 HydrophobicContact CB-CD1 3.8Å; V18-F64 HydrophobicContact CB-CE1 3.95Å; V18-F64 HydrophobicContact CB-CG 4.25Å; V18-F64 HydrophobicContact CB-CZ 4.48Å; V18-F64 HydrophobicContact CG1-CD1 3.72Å; V18-F64 HydrophobicContact CG1-CE1 3.7Å; V18-F64 HydrophobicContact CG2-CE1 4.29Å; V18-F64 HydrophobicContact CG2-CZ 4.4Å; V18-F64 CarbonylContact O-C 3.6Å; V18-F64 WeakPolarHBondContact O-CA 3.44Å; V20-F64 HydrophobicContact CG2-CD1 3.9Å; L32-F64 HydrophobicContact CD2-CB 3.66Å; L32-F64 HydrophobicContact CD2-CD1 3.55Å; L32-F64 HydrophobicContact CD2-CE1 4.38Å; L32-F64 HydrophobicContact CD2-CG 3.78Å; F35-F64 HydrophobicContact CD2-CE1 4.25Å; A52-F64 VanDerWaalsContact CA-O 3.31Å; A52-F64 WeakPolarHBondContact CA-O 3.13Å; I53-F64 HydrophobicContact CG1-CB 4.01Å; I53-F64 PolarHBondContact N-O 2.99Å; I53-F64 PolarHBondContact O-N 3.05Å; I55-F64 HydrophobicContact CB-CD2 4.22Å; I55-F64 HydrophobicContact CB-CE2 3.99Å; I55-F64 HydrophobicContact CD1-CD2 3.71Å; I55-F64 HydrophobicContact CD1-CE2 3.73Å; I55-F64 HydrophobicContact CD1-CG 4.31Å; I55-F64 HydrophobicContact CD1-CZ 4.31Å; I55-F64 HydrophobicContact CG1-CD2 3.87Å; I55-F64 HydrophobicContact CG1-CE2 4.03Å; V62-F64 HydrophobicContact CB-CE2 4.02Å; V62-F64 HydrophobicContact CG1-CD2 4.13Å; V62-F64 HydrophobicContact CG1-CE2 3.66Å; V62-F64 HydrophobicContact CG1-CZ 4.22Å; V62-F64 WeakPolarHBondContact O-CD2 3.33Å; F64-I175 HydrophobicContact CE1-CD1 4.12Å; F64-I175 HydrophobicContact CE1-CG2 3.93Å; F64-I175 HydrophobicContact CZ-CG2 3.6Å
65L96.3Very high93.1Very high6 Ų650.3 Ų50.33%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-105.1109.7173.2-179.265.5000109.7V18 L19 V20 L50 A52 Y80V18-L65 PolarHBondContact O-N 3.28Å; L19-L65 HydrophobicContact CD1-CB 4.29Å; L19-L65 HydrophobicContact CD1-CD2 4.03Å; L19-L65 HydrophobicContact CD1-CG 4.18Å; V20-L65 PolarHBondContact N-O 2.91Å; L50-L65 HydrophobicContact CB-CD1 4.28Å; A52-L65 HydrophobicContact CB-CD1 4.09Å; L65-Y80 HydrophobicContact CD2-CD1 3.46Å; L65-Y80 VanDerWaalsContact CD2-CD1 3.46Å; L65-Y80 HydrophobicContact CD2-CE1 4.14Å; L65-Y80 HydrophobicContact CD2-CG 3.93Å
66E96.7Very high93.1Very high0 Ų055.3 Ų55.30%029%0.29CS..EExtended strand (participates in β ladder)trans-90.3139.1168.9175.7-178.9-144.600111.2V20 K28 T29 L32 L50 N51V20-E66 HydrophobicContact CB-CB 4.44Å; K28-E66 HydrophobicContact CB-CG 4.4Å; K28-E66 WeakPolarHBondContact CB-OE1 3.28Å; T29-E66 WeakPolarHBondContact CA-OE1 3.38Å; T29-E66 WeakPolarHBondContact CB-OE1 3.39Å; T29-E66 PolarHBondContact N-OE1 3.42Å; T29-E66 VanDerWaalsContact OG1-CD 3.32Å; T29-E66 PolarHBondContact OG1-OE1 2.8Å; T29-E66 PolarHBondContact OG1-OE2 3.47Å; L32-E66 HydrophobicContact CD1-CB 3.55Å; L32-E66 HydrophobicContact CD1-CG 4.27Å; L50-E66 WeakPolarHBondContact CA-O 3.4Å; N51-E66 HydrophobicContact CB-CB 4.21Å; N51-E66 PolarHBondContact N-O 2.78Å; N51-E66 PolarHBondContact ND2-OE2 2.85Å; N51-E66 VanDerWaalsContact ND2-OE2 3.13Å; N51-E66 PolarHBondContact O-N 3Å
67I96.6Very high93.4Very high1 Ų152.2 Ų52.21%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-116.5137167.4-44.7-167.8000109.2L19 V20 L21 K28 L50 Y80L19-I67 HydrophobicContact CD1-CD1 4.05Å; L19-I67 HydrophobicContact CD1-CG1 4.15Å; V20-I67 PolarHBondContact O-N 2.91Å; L21-I67 HydrophobicContact CD2-CB 3.75Å; L21-I67 HydrophobicContact CD2-CD1 4Å; L21-I67 HydrophobicContact CD2-CG1 3.76Å; K28-I67 VanDerWaalsContact CE-O 3.24Å; K28-I67 WeakPolarHBondContact CE-O 3.42Å; L50-I67 HydrophobicContact CD2-CB 3.95Å; L50-I67 HydrophobicContact CD2-CD1 3.78Å; L50-I67 HydrophobicContact CD2-CG1 3.46Å; L50-I67 VanDerWaalsContact CD2-CG1 3.46Å; L50-I67 HydrophobicContact CD2-CG2 3.77Å; I67-Y80 HydrophobicContact CD1-CD2 3.35Å; I67-Y80 HydrophobicContact CD1-CE2 4.13Å; I67-Y80 HydrophobicContact CD1-CG 3.78Å
68G96.4Very high93.8Very high0 Ų053.7 Ų53.70%028%0.276CS..  trans-54.7145.7174.100000112.7T47 G49 L73 W77T47-G68 WeakPolarHBondContact O-CA 3.5Å; G49-G68 PolarHBondContact O-N 2.95Å; G68-L73 VanDerWaalsContact O-CB 3.29Å; G68-L73 WeakPolarHBondContact O-CB 3.15Å; G68-W77 PolarHBondContact O-NE1 3.16Å
69G97.4Very high94Very high1 Ų153.3 Ų53.31%0.0127%0.267CS..  trans-99.71.1-17300000115.5G22 D24 R74G22-G69 WeakPolarHBondContact O-CA 3.44Å; D24-G69 PolarHBondContact N-O 3.08Å; G69-R74 PolarHBondContact O-NE 3.3Å
70G97Very high94.3Very high17 Ų1747.3 Ų47.318%0.17523%0.232CC..SBendtrans-60.2148.9173.600000111.2N72 L73 R74G70-N72 PolarHBondContact O-N 3.47Å; G70-N72 VanDerWaalsContact O-N 3.12Å; G70-L73 PolarHBondContact O-N 2.79Å; G70-R74 WeakPolarHBondContact O-CG 3.38Å; G70-R74 PolarHBondContact O-N 2.79Å
71E96.2Very high94.7Very high150 Ų15045.3 Ų45.370%0.70122%0.222SC*.THydrogen-bonded Turntrans-53.1-37.4-174.2-67.3-171.516000113.5L73 R74 P75E71-L73 PolarHBondContact O-N 2.74Å; E71-R74 VanDerWaalsContact CG-NH2 3.33Å; E71-P75 WeakPolarHBondContact O-CD 3.31Å
72N95.2Very high94.7Very high103 Ų10344.9 Ų44.955%0.55122%0.224SC*.THydrogen-bonded Turntrans-67.2-19.4177.162.9-42.9000114.1G70G70-N72 PolarHBondContact O-N 3.47Å; G70-N72 VanDerWaalsContact O-N 3.12Å
73L95.8Very high94.4Very high14 Ų1451.5 Ų51.57%0.07325%0.249CC..THydrogen-bonded Turntrans-101.8-22.3-177.2-65176.3000113.5T47 G68 G70 E71 P75 Y76T47-L73 WeakPolarHBondContact O-CD1 3.43Å; G68-L73 VanDerWaalsContact O-CB 3.29Å; G68-L73 WeakPolarHBondContact O-CB 3.15Å; G70-L73 PolarHBondContact O-N 2.79Å; E71-L73 PolarHBondContact O-N 2.74Å; L73-P75 VanDerWaalsContact C-N 3.32Å; L73-Y76 HydrophobicContact CD2-CD2 4.45Å; L73-Y76 WeakPolarHBondContact O-CB 3.42Å; L73-Y76 WeakPolarHBondContact O-CD2 3.4Å; L73-Y76 PolarHBondContact O-N 2.93Å
74R96.6Very high94.3Very high36 Ų3649.7 Ų49.714%0.13624%0.243CC..G310 helixtrans-55.6-35.2179.3-57-178-160.2152.96.8114.5G69 G70 E71 Y76 W77 H105G69-R74 PolarHBondContact O-NE 3.3Å; G70-R74 WeakPolarHBondContact O-CG 3.38Å; G70-R74 PolarHBondContact O-N 2.79Å; E71-R74 VanDerWaalsContact CG-NH2 3.33Å; R74-Y76 PolarHBondContact O-N 3.12Å; R74-Y76 VanDerWaalsContact O-N 3.12Å; R74-W77 HydrophobicContact CB-CD2 4.28Å; R74-W77 HydrophobicContact CG-CD2 4.48Å; R74-W77 HydrophobicContact CG-CH2 4.13Å; R74-W77 HydrophobicContact CG-CZ2 3.85Å; R74-W77 VanDerWaalsContact O-CB 3.29Å; R74-W77 WeakPolarHBondContact O-CB 3.32Å; R74-W77 VanDerWaalsContact O-CG 3.28Å; R74-W77 PolarHBondContact O-N 3.2Å; R74-H105 VanDerWaalsContact CD-NE2 3.29Å; R74-H105 WeakPolarHBondContact CD-NE2 3.46Å; R74-H105 PolarHBondContact NH1-NE2 2.85Å
75P94.4Very high94.3Very high91 Ų9151.3 Ų51.359%0.59125%0.251SS*.G310 helixtrans-58.7-24174.7-27.136.4000114.3E71 L73 W77E71-P75 WeakPolarHBondContact O-CD 3.31Å; L73-P75 VanDerWaalsContact C-N 3.32Å; P75-W77 VanDerWaalsContact C-N 3.34Å
76Y93.1Very high94.3Very high111 Ų11151.1 Ų51.144%0.43525%0.25SS..G310 helixtrans-78.7-17.1178.2-63.9-87.5000112.8L73 R74 Q78 K79 Y80L73-Y76 HydrophobicContact CD2-CD2 4.45Å; L73-Y76 WeakPolarHBondContact O-CB 3.42Å; L73-Y76 WeakPolarHBondContact O-CD2 3.4Å; L73-Y76 PolarHBondContact O-N 2.93Å; R74-Y76 PolarHBondContact O-N 3.12Å; R74-Y76 VanDerWaalsContact O-N 3.12Å; Y76-Q78 VanDerWaalsContact C-N 3.34Å; Y76-Q78 PolarHBondContact O-N 3.24Å; Y76-K79 VanDerWaalsContact O-CB 3.27Å; Y76-K79 WeakPolarHBondContact O-CB 3.35Å; Y76-K79 PolarHBondContact O-N 3.44Å; Y76-Y80 VanDerWaalsContact O-CD2 3.26Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.17Å
77W96.5Very high94.4Very high3 Ų351.2 Ų51.21%0.01125%0.251CS..Hα-helixtrans-54.1-49.9-177.8-671.1000112L21 G22 L23 G68 R74 P75 K79 Y80 T81 F89 H105 L109L21-W77 HydrophobicContact CB-CD2 4.39Å; L21-W77 HydrophobicContact CD1-CB 3.79Å; L21-W77 HydrophobicContact CD1-CD2 4.06Å; L21-W77 HydrophobicContact CD1-CE3 4.28Å; L21-W77 HydrophobicContact CD1-CG 3.88Å; L21-W77 HydrophobicContact CD2-CB 4.34Å; L21-W77 HydrophobicContact CD2-CD2 4.17Å; L21-W77 HydrophobicContact CD2-CG 3.82Å; L21-W77 HydrophobicContact CG-CD2 4.45Å; L21-W77 HydrophobicContact CG-CG 4.4Å; G22-W77 VanDerWaalsContact O-CZ2 3.31Å; G22-W77 WeakPolarHBondContact O-CZ2 3.47Å; L23-W77 HydrophobicContact CD2-CH2 4.19Å; G68-W77 PolarHBondContact O-NE1 3.16Å; R74-W77 HydrophobicContact CB-CD2 4.28Å; R74-W77 HydrophobicContact CG-CD2 4.48Å; R74-W77 HydrophobicContact CG-CH2 4.13Å; R74-W77 HydrophobicContact CG-CZ2 3.85Å; R74-W77 VanDerWaalsContact O-CB 3.29Å; R74-W77 WeakPolarHBondContact O-CB 3.32Å; R74-W77 VanDerWaalsContact O-CG 3.28Å; R74-W77 PolarHBondContact O-N 3.2Å; P75-W77 VanDerWaalsContact C-N 3.34Å; W77-K79 PolarHBondContact O-N 3.01Å; W77-K79 VanDerWaalsContact O-N 3.14Å; W77-Y80 PolarHBondContact O-N 2.97Å; W77-Y80 VanDerWaalsContact O-N 3.1Å; W77-T81 PolarHBondContact O-N 3Å; W77-T81 PolarHBondContact O-OG1 2.55Å; W77-F89 HydrophobicContact CH2-CE2 4.45Å; W77-F89 HydrophobicContact CH2-CZ 4.28Å; W77-F89 AromaticContact CZ3-CE2 3.89Å; W77-F89 HydrophobicContact CZ3-CE2 3.89Å; W77-F89 AromaticContact CZ3-CZ 3.98Å; W77-F89 HydrophobicContact CZ3-CZ 3.98Å; W77-H105 HydrophobicContact CE3-CB 4.28Å; W77-H105 HydrophobicContact CZ3-CB 3.71Å; W77-L109 HydrophobicContact CB-CD2 4.01Å; W77-L109 HydrophobicContact CE3-CD1 4.03Å
78Q94.1Very high94.5Very high87 Ų8751.2 Ų51.241%0.40725%0.251SS..Hα-helixtrans-60.6-24.3178.4-66.7177.9-0.600113.6Y76 Y80 P82 L109 L112Y76-Q78 VanDerWaalsContact C-N 3.34Å; Y76-Q78 PolarHBondContact O-N 3.24Å; Q78-Y80 VanDerWaalsContact C-N 3.32Å; Q78-Y80 PolarHBondContact O-N 3.04Å; Q78-P82 WeakPolarHBondContact O-CD 3.44Å; Q78-L109 HydrophobicContact CG-CD2 3.82Å; Q78-L112 HydrophobicContact CB-CD1 4.48Å; Q78-L112 HydrophobicContact CG-CD1 3.87Å
79K91.8Very high94.6Very high138 Ų13851.2 Ų51.260%0.625%0.251SS*.Hα-helixtrans-70.8-28.9178.8-177.9179172.9-175.90112.3Y76 W77Y76-K79 VanDerWaalsContact O-CB 3.27Å; Y76-K79 WeakPolarHBondContact O-CB 3.35Å; Y76-K79 PolarHBondContact O-N 3.44Å; W77-K79 PolarHBondContact O-N 3.01Å; W77-K79 VanDerWaalsContact O-N 3.14Å
80Y91.6Very high94.6Very high46 Ų4651.2 Ų51.218%0.1825%0.251CS..Hα-helixtrans-104.2-20-174.6-65.8-88.2000113.4Q17 L50 L65 I67 Y76 W77 Q78 P82 R83Q17-Y80 PolarHBondContact NE2-O 2.93Å; L50-Y80 HydrophobicContact CD1-CE1 4.06Å; L50-Y80 HydrophobicContact CD1-CE2 4.23Å; L50-Y80 VanDerWaalsContact CD1-OH 3.27Å; L50-Y80 WeakPolarHBondContact CD1-OH 3.19Å; L50-Y80 HydrophobicContact CD2-CE2 4.11Å; L65-Y80 HydrophobicContact CD2-CD1 3.46Å; L65-Y80 VanDerWaalsContact CD2-CD1 3.46Å; L65-Y80 HydrophobicContact CD2-CE1 4.14Å; L65-Y80 HydrophobicContact CD2-CG 3.93Å; I67-Y80 HydrophobicContact CD1-CD2 3.35Å; I67-Y80 HydrophobicContact CD1-CE2 4.13Å; I67-Y80 HydrophobicContact CD1-CG 3.78Å; Y76-Y80 VanDerWaalsContact O-CD2 3.26Å; Y76-Y80 WeakPolarHBondContact O-CD2 3.17Å; W77-Y80 PolarHBondContact O-N 2.97Å; W77-Y80 VanDerWaalsContact O-N 3.1Å; Q78-Y80 VanDerWaalsContact C-N 3.32Å; Q78-Y80 PolarHBondContact O-N 3.04Å; Y80-P82 VanDerWaalsContact C-CD 3.42Å; Y80-R83 PolarHBondContact O-N 2.72Å
81T92.6Very high94.7Very high2 Ų250.5 Ų50.51%0.01224%0.243CC..G310 helixtrans-56.2-38.6176.9-46.10000115L19 W77 R83 A84 H113 L116L19-T81 HydrophobicContact CD2-CG2 4.49Å; W77-T81 PolarHBondContact O-N 3Å; W77-T81 PolarHBondContact O-OG1 2.55Å; T81-R83 PolarHBondContact O-N 3.24Å; T81-A84 WeakPolarHBondContact O-CB 3.43Å; T81-A84 PolarHBondContact O-N 2.82Å; T81-H113 HydrophobicContact CG2-CB 4.28Å; T81-H113 WeakPolarHBondContact CG2-CD2 3.26Å; T81-L116 HydrophobicContact CG2-CD2 3.39Å
82P89.6Confident94.8Very high84 Ų8444.5 Ų44.555%0.54522%0.216SC..G310 helixtrans-60.2-17-179.8-22.629000115.4Q78 Y80Q78-P82 WeakPolarHBondContact O-CD 3.44Å; Y80-P82 VanDerWaalsContact C-CD 3.42Å
83R83.9Confident95Very high140 Ų14039.6 Ų39.653%0.52819%0.19SC..G310 helixtrans-104-0.8-179.1-59.8-178.1-178.3-175.8-3.8113.3Y80 T81Y80-R83 PolarHBondContact O-N 2.72Å; T81-R83 PolarHBondContact O-N 3.24Å
84A93.2Very high95.1Very high13 Ų1339.6 Ų39.611%0.10719%0.192CC..EExtended strand (participates in β ladder)trans-79.9136.9-175.200000111Q17 L19 T81 L116Q17-A84 WeakPolarHBondContact O-CA 3.39Å; L19-A84 HydrophobicContact CB-CB 3.71Å; L19-A84 HydrophobicContact CD2-CB 4.37Å; T81-A84 WeakPolarHBondContact O-CB 3.43Å; T81-A84 PolarHBondContact O-N 2.82Å; A84-L116 HydrophobicContact CB-CD1 4.05Å; A84-L116 HydrophobicContact CB-CD2 4.33Å; A84-L116 WeakPolarHBondContact O-CD1 3.27Å
85L94.7Very high95.2Very high34 Ų3440.3 Ų40.318%0.17820%0.198CC..EExtended strand (participates in β ladder)trans-79.5-34.8166.4-66.9-179.5000111.2G15 Q17 P117 V179G15-L85 WeakPolarHBondContact O-CD2 3.35Å; Q17-L85 PolarHBondContact O-N 3.22Å; L85-P117 WeakPolarHBondContact O-CD 3.25Å; L85-V179 HydrophobicContact CD1-CG1 3.93Å
86L96.6Very high95.3Very high2 Ų238.9 Ų38.91%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-143.5135.5-178.8170.361.5000108.9V18 L19 V88 P117 M119 I175 M178V18-L86 HydrophobicContact CG1-CB 4.45Å; V18-L86 HydrophobicContact CG1-CD2 4.35Å; V18-L86 HydrophobicContact CG1-CG 4.39Å; V18-L86 HydrophobicContact CG2-CB 4.4Å; L19-L86 PolarHBondContact N-O 2.93Å; L86-V88 HydrophobicContact CD2-CG2 4.04Å; L86-V88 HydrophobicContact CG-CG2 4.13Å; L86-P117 HydrophobicContact CD1-CB 3.94Å; L86-P117 WeakPolarHBondContact CD1-O 3.21Å; L86-M119 HydrophobicContact CD1-CB 4.18Å; L86-I175 HydrophobicContact CD2-CB 4.24Å; L86-I175 HydrophobicContact CD2-CG1 3.81Å; L86-I175 HydrophobicContact CD2-CG2 4.06Å; L86-M178 HydrophobicContact CD1-CE 3.61Å; L86-M178 HydrophobicContact CD1-SD 4.14Å; L86-M178 HydrophobicContact CD2-CE 4.49Å; L86-M178 HydrophobicContact CD2-SD 4.08Å
87L98.1Very high95.6Very high2 Ų241.8 Ų41.81%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-92.4113.9164.7175.158.1000109.7L19 L21 F89 L106 L109 L110 L116 P117 L118 M119L19-L87 HydrophobicContact CD2-CD1 4.48Å; L21-L87 HydrophobicContact CB-CD1 4.12Å; L21-L87 HydrophobicContact CD1-CD1 3.75Å; L21-L87 HydrophobicContact CG-CD1 3.89Å; L87-F89 HydrophobicContact CD1-CD2 4.46Å; L87-F89 HydrophobicContact CD2-CD2 4.45Å; L87-F89 HydrophobicContact CG-CB 4.46Å; L87-L106 HydrophobicContact CD2-CD1 4.4Å; L87-L109 HydrophobicContact CD2-CD1 4.34Å; L87-L110 HydrophobicContact CD2-CD2 4.08Å; L87-L116 HydrophobicContact CB-CD2 3.8Å; L87-L116 HydrophobicContact CB-CG 4.19Å; L87-P117 PolarHBondContact N-O 3.33Å; L87-L118 HydrophobicContact CB-CD1 4.38Å; L87-L118 HydrophobicContact CD2-CD1 4.05Å; L87-L118 HydrophobicContact CG-CD1 3.99Å; L87-L118 WeakPolarHBondContact O-CA 3.31Å; L87-M119 PolarHBondContact O-N 3.18Å
88V98.8Very high95.7Very high1 Ų144.5 Ų44.51%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-93.6113.5164.5177.20000108V18 L19 V20 L21 L86 V90 M119 L121 I175V18-V88 HydrophobicContact CG1-CB 4.35Å; V18-V88 HydrophobicContact CG1-CG2 3.51Å; L19-V88 PolarHBondContact O-N 3.4Å; V20-V88 WeakPolarHBondContact CA-O 3.48Å; V20-V88 HydrophobicContact CG1-CG1 4.42Å; V20-V88 HydrophobicContact CG2-CB 4.25Å; L21-V88 PolarHBondContact N-O 2.99Å; L86-V88 HydrophobicContact CD2-CG2 4.04Å; L86-V88 HydrophobicContact CG-CG2 4.13Å; V88-V90 HydrophobicContact CG1-CG2 4.29Å; V88-M119 CarbonylContact C-O 3.56Å; V88-M119 VanDerWaalsContact CA-O 3.32Å; V88-M119 WeakPolarHBondContact CA-O 3.42Å; V88-M119 HydrophobicContact CG2-CB 4.34Å; V88-L121 HydrophobicContact CG1-CD1 3.65Å; V88-L121 HydrophobicContact CG1-CG 3.97Å; V88-I175 HydrophobicContact CG2-CD1 3.91Å; V88-I175 HydrophobicContact CG2-CG1 4.2Å
89F98.8Very high95.9Very high0 Ų040.9 Ų40.90%020%0.204CC..EExtended strand (participates in β ladder)trans-109.6109.4180-157-75.8000110.5L21 W77 L87 V91 T102 L106 L109 L118 M119 V120 L121L21-F89 HydrophobicContact CB-CD2 4.05Å; L21-F89 HydrophobicContact CB-CE2 4.18Å; L21-F89 CarbonylContact O-C 3.6Å; L21-F89 WeakPolarHBondContact O-CA 3.26Å; W77-F89 HydrophobicContact CH2-CE2 4.45Å; W77-F89 HydrophobicContact CH2-CZ 4.28Å; W77-F89 AromaticContact CZ3-CE2 3.89Å; W77-F89 HydrophobicContact CZ3-CE2 3.89Å; W77-F89 AromaticContact CZ3-CZ 3.98Å; W77-F89 HydrophobicContact CZ3-CZ 3.98Å; L87-F89 HydrophobicContact CD1-CD2 4.46Å; L87-F89 HydrophobicContact CD2-CD2 4.45Å; L87-F89 HydrophobicContact CG-CB 4.46Å; F89-V91 HydrophobicContact CD1-CG2 3.81Å; F89-V91 HydrophobicContact CE1-CG2 4.14Å; F89-T102 HydrophobicContact CE1-CG2 3.66Å; F89-T102 HydrophobicContact CZ-CG2 4.36Å; F89-L106 HydrophobicContact CB-CD1 4.18Å; F89-L106 HydrophobicContact CD1-CD1 4.48Å; F89-L106 HydrophobicContact CD2-CD1 3.72Å; F89-L106 HydrophobicContact CE2-CB 4.2Å; F89-L106 HydrophobicContact CE2-CD1 4.23Å; F89-L106 HydrophobicContact CG-CD1 3.85Å; F89-L106 HydrophobicContact CZ-CB 4.21Å; F89-L109 HydrophobicContact CD2-CD1 4.43Å; F89-L109 HydrophobicContact CE2-CD1 4.11Å; F89-L118 HydrophobicContact CB-CD1 4.01Å; F89-M119 PolarHBondContact N-O 2.97Å; F89-V120 WeakPolarHBondContact O-CA 3Å; F89-L121 PolarHBondContact O-N 2.83Å
90V98.9Very high96.2Very high1 Ų138.8 Ų38.81%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-90.3129-177.2-1720000110.2V20 L21 G22 A26 K28 L31 V88 L121 N123V20-V90 HydrophobicContact CG1-CG2 4.07Å; L21-V90 PolarHBondContact O-N 3.28Å; G22-V90 WeakPolarHBondContact CA-O 3.35Å; A26-V90 HydrophobicContact CB-CB 4.44Å; A26-V90 HydrophobicContact CB-CG1 4.14Å; A26-V90 WeakPolarHBondContact O-CG1 3.42Å; K28-V90 HydrophobicContact CB-CG2 4.47Å; K28-V90 HydrophobicContact CG-CB 3.82Å; K28-V90 HydrophobicContact CG-CG1 4.47Å; K28-V90 HydrophobicContact CG-CG2 3.84Å; L31-V90 HydrophobicContact CD1-CG1 3.66Å; L31-V90 HydrophobicContact CD1-CG2 4.04Å; V88-V90 HydrophobicContact CG1-CG2 4.29Å; V90-L121 HydrophobicContact CG2-CB 4.45Å; V90-L121 HydrophobicContact CG2-CD1 4.34Å; V90-N123 HydrophobicContact CG1-CB 3.86Å
91V98.9Very high96.5Very high2 Ų238.6 Ų38.61%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-122.8130.6-178.5-174.30000109.3F89 S93 F99 T102 V120 L121 N123 L136 L140F89-V91 HydrophobicContact CD1-CG2 3.81Å; F89-V91 HydrophobicContact CE1-CG2 4.14Å; V91-S93 PolarHBondContact O-N 3.25Å; V91-F99 HydrophobicContact CG1-CD1 4.24Å; V91-F99 HydrophobicContact CG1-CE1 3.95Å; V91-T102 HydrophobicContact CG1-CG2 4.07Å; V91-T102 HydrophobicContact CG2-CG2 3.88Å; V91-V120 HydrophobicContact CG2-CG1 3.92Å; V91-L121 PolarHBondContact N-O 3.35Å; V91-N123 WeakPolarHBondContact O-CB 3.48Å; V91-N123 PolarHBondContact O-N 3.01Å; V91-L136 HydrophobicContact CB-CD1 4.3Å; V91-L136 HydrophobicContact CG1-CD1 3.85Å; V91-L140 HydrophobicContact CG1-CD1 4.41Å; V91-L140 HydrophobicContact CG2-CD1 3.89Å
92D98.6Very high96.8Very high25 Ų2538.7 Ų38.713%0.13421%0.208CC..EExtended strand (participates in β ladder)trans-70.895.2167.6-173.2-13.4000109.1A94 N95 F99 K124D92-A94 PolarHBondContact O-N 3.49Å; D92-A94 WeakPolarHBondContact OD1-CB 3.46Å; D92-A94 PolarHBondContact OD1-N 2.94Å; D92-N95 HydrophobicContact CB-CB 4.19Å; D92-N95 PolarHBondContact O-N 3.31Å; D92-F99 WeakPolarHBondContact O-CE1 3.38Å; D92-K124 WeakPolarHBondContact OD1-CD 3.45Å; D92-K124 IonicContact OD1-NZ 2.8Å; D92-K124 WeakPolarHBondContact OD2-CE 3.37Å; D92-K124 IonicContact OD2-NZ 2.78Å; D92-K124 PolarHBondContact OD2-NZ 3.46Å
93S98.6Very high97.3Very high0 Ų037.7 Ų37.70%020%0.195CC..THydrogen-bonded Turntrans-67.1-14.8-178.567.20000113.1V91 N95 N123 Q125 S130 C131V91-S93 PolarHBondContact O-N 3.25Å; S93-N95 VanDerWaalsContact C-N 3.35Å; S93-N123 WeakPolarHBondContact CB-O 3.47Å; S93-N123 PolarHBondContact N-O 3.44Å; S93-N123 PolarHBondContact OG-O 2.86Å; S93-Q125 VanDerWaalsContact CB-NE2 3.3Å; S93-Q125 PolarHBondContact OG-NE2 3.42Å; S93-S130 WeakPolarHBondContact O-CA 3.35Å; S93-C131 PolarHBondContact O-N 3.32Å
94A98.5Very high98Very high14 Ų1436.7 Ų36.712%0.11620%0.195CC..THydrogen-bonded Turntrans-90.92.8179.300000113.5D92 K124 L127 T129D92-A94 PolarHBondContact O-N 3.49Å; D92-A94 WeakPolarHBondContact OD1-CB 3.46Å; D92-A94 PolarHBondContact OD1-N 2.94Å; A94-K124 HydrophobicContact CB-CB 4.22Å; A94-L127 HydrophobicContact CB-CB 3.92Å; A94-L127 HydrophobicContact CB-CD1 3.67Å; A94-L127 HydrophobicContact CB-CG 4.37Å; A94-T129 WeakPolarHBondContact CB-OG1 3.49Å; A94-T129 PolarHBondContact O-OG1 2.93Å
95N98.1Very high98.2Very high50 Ų5037.5 Ų37.527%0.26720%0.196SC..  trans-130.273.1-179.2-165.3-11.9000112.6D92 S93 E97 L98D92-N95 HydrophobicContact CB-CB 4.19Å; D92-N95 PolarHBondContact O-N 3.31Å; S93-N95 VanDerWaalsContact C-N 3.35Å; N95-E97 PolarHBondContact O-N 3.09Å; N95-E97 VanDerWaalsContact O-N 3.17Å; N95-L98 HydrophobicContact CB-CD1 4.48Å; N95-L98 VanDerWaalsContact ND2-CD1 3.33Å; N95-L98 WeakPolarHBondContact ND2-CD1 3.39Å; N95-L98 PolarHBondContact O-N 3.32Å; N95-L98 VanDerWaalsContact O-N 3.11Å
96P97.3Very high98.4Very high62 Ų6235.9 Ų35.940%0.40319%0.188SC..G310 helixtrans-63.1-20.6-177.824.7-34.4000114.2L98 F99P96-L98 PolarHBondContact O-N 3.4Å; P96-F99 HydrophobicContact CB-CD2 3.94Å; P96-F99 HydrophobicContact CB-CE2 3.81Å; P96-F99 HydrophobicContact CB-CG 4.43Å; P96-F99 HydrophobicContact CB-CZ 4.16Å; P96-F99 WeakPolarHBondContact O-CB 3.22Å; P96-F99 WeakPolarHBondContact O-CG 3.2Å; P96-F99 PolarHBondContact O-N 3.43Å
97E98.1Very high98.5Very high171 Ų17137.8 Ų37.880%0.79920%0.197SC*.G310 helixtrans-60.9-26.4175.2-59.8-172.9166.500112.2N95 P100N95-E97 PolarHBondContact O-N 3.09Å; N95-E97 VanDerWaalsContact O-N 3.17Å; E97-P100 WeakPolarHBondContact O-CD 3.18Å
98L98.3Very high98.5Very high60 Ų6041.1 Ų41.131%0.31421%0.212SC..G310 helixtrans-89.4-5.2177.6-62.9-177.2000113.6L23 N95 P96 V101 T102L23-L98 HydrophobicContact CD1-CB 3.98Å; L23-L98 HydrophobicContact CD1-CD1 4.34Å; N95-L98 HydrophobicContact CB-CD1 4.48Å; N95-L98 VanDerWaalsContact ND2-CD1 3.33Å; N95-L98 WeakPolarHBondContact ND2-CD1 3.39Å; N95-L98 PolarHBondContact O-N 3.32Å; N95-L98 VanDerWaalsContact O-N 3.11Å; P96-L98 PolarHBondContact O-N 3.4Å; L98-V101 HydrophobicContact CB-CG1 4.27Å; L98-V101 HydrophobicContact CD2-CG1 4.15Å; L98-V101 WeakPolarHBondContact O-CG1 3.35Å; L98-V101 PolarHBondContact O-N 2.64Å; L98-T102 VanDerWaalsContact O-CB 3.27Å; L98-T102 WeakPolarHBondContact O-CB 3.41Å; L98-T102 PolarHBondContact O-N 3.03Å; L98-T102 PolarHBondContact O-OG1 2.91Å
99F98.6Very high98.4Very high12 Ų1241.3 Ų41.35%0.05321%0.213CC..Hα-helixtrans-60.4-40.4-179.2-68.9-3.2000113.6V91 D92 P96 V101 T102 K103 C131 L136 A139 L140V91-F99 HydrophobicContact CG1-CD1 4.24Å; V91-F99 HydrophobicContact CG1-CE1 3.95Å; D92-F99 WeakPolarHBondContact O-CE1 3.38Å; P96-F99 HydrophobicContact CB-CD2 3.94Å; P96-F99 HydrophobicContact CB-CE2 3.81Å; P96-F99 HydrophobicContact CB-CG 4.43Å; P96-F99 HydrophobicContact CB-CZ 4.16Å; P96-F99 WeakPolarHBondContact O-CB 3.22Å; P96-F99 WeakPolarHBondContact O-CG 3.2Å; P96-F99 PolarHBondContact O-N 3.43Å; F99-V101 PolarHBondContact O-N 2.97Å; F99-T102 WeakPolarHBondContact O-CB 3.36Å; F99-T102 PolarHBondContact O-N 2.98Å; F99-K103 VanDerWaalsContact O-CB 3.25Å; F99-K103 WeakPolarHBondContact O-CB 3.5Å; F99-K103 PolarHBondContact O-N 3.28Å; F99-C131 HydrophobicContact CE2-CB 4.21Å; F99-C131 HydrophobicContact CZ-CB 4.18Å; F99-L136 HydrophobicContact CE1-CD1 4.13Å; F99-L136 HydrophobicContact CZ-CD1 3.83Å; F99-L136 HydrophobicContact CZ-CG 4.48Å; F99-A139 HydrophobicContact CB-CB 4.49Å; F99-A139 HydrophobicContact CD2-CB 3.53Å; F99-A139 HydrophobicContact CE2-CB 4.12Å; F99-A139 HydrophobicContact CG-CB 4.37Å; F99-L140 HydrophobicContact CB-CD2 4.38Å
100P98.7Very high98.3Very high93 Ų9341.7 Ų41.760%0.60422%0.215SC*.Hα-helixtrans-60.5-44.2178-26.236.3000113.5E97 K104E97-P100 WeakPolarHBondContact O-CD 3.18Å; P100-K104 WeakPolarHBondContact O-CB 3.19Å; P100-K104 PolarHBondContact O-N 3.5Å
101V98.6Very high98.1Very high42 Ų4245.6 Ų45.626%0.25525%0.247SC..Hα-helixtrans-72.7-34.8177.954.30000111.6L23 L98 F99 H105L23-V101 HydrophobicContact CD1-CG1 3.76Å; L23-V101 HydrophobicContact CD2-CG2 4.46Å; L98-V101 HydrophobicContact CB-CG1 4.27Å; L98-V101 HydrophobicContact CD2-CG1 4.15Å; L98-V101 WeakPolarHBondContact O-CG1 3.35Å; L98-V101 PolarHBondContact O-N 2.64Å; F99-V101 PolarHBondContact O-N 2.97Å; V101-H105 PolarHBondContact O-CD2 3.1Å; V101-H105 VanDerWaalsContact O-CD2 3.3Å; V101-H105 PolarHBondContact O-N 2.9Å; V101-H105 VanDerWaalsContact O-N 3.17Å
102T98.6Very high97.9Very high4 Ų450 Ų503%0.02527%0.271CS..Hα-helixtrans-61.4-52.8173-63.30000111.1L23 F89 V91 L98 F99 K104 H105 L106 L140L23-T102 WeakPolarHBondContact CD1-OG1 3.44Å; F89-T102 HydrophobicContact CE1-CG2 3.66Å; F89-T102 HydrophobicContact CZ-CG2 4.36Å; V91-T102 HydrophobicContact CG1-CG2 4.07Å; V91-T102 HydrophobicContact CG2-CG2 3.88Å; L98-T102 VanDerWaalsContact O-CB 3.27Å; L98-T102 WeakPolarHBondContact O-CB 3.41Å; L98-T102 PolarHBondContact O-N 3.03Å; L98-T102 PolarHBondContact O-OG1 2.91Å; F99-T102 WeakPolarHBondContact O-CB 3.36Å; F99-T102 PolarHBondContact O-N 2.98Å; T102-K104 VanDerWaalsContact C-N 3.35Å; T102-K104 PolarHBondContact O-N 3.26Å; T102-H105 PolarHBondContact O-N 3.21Å; T102-L106 WeakPolarHBondContact O-CB 3.34Å; T102-L106 PolarHBondContact O-N 2.89Å; T102-L140 HydrophobicContact CG2-CD2 3.82Å
103K98.8Very high97.7Very high63 Ų6350.8 Ų50.827%0.27427%0.273SS..Hα-helixtrans-54.7-50.8176.3178.8-179.5172.11750110.4F99 H105 L106 H107 L140 S141F99-K103 VanDerWaalsContact O-CB 3.25Å; F99-K103 WeakPolarHBondContact O-CB 3.5Å; F99-K103 PolarHBondContact O-N 3.28Å; K103-H105 PolarHBondContact O-N 3.39Å; K103-L106 PolarHBondContact O-N 2.89Å; K103-H107 VanDerWaalsContact CG-CD2 3.48Å; K103-H107 WeakPolarHBondContact CG-CD2 3.37Å; K103-H107 WeakPolarHBondContact O-CB 3.46Å; K103-H107 PolarHBondContact O-CD2 2.89Å; K103-H107 VanDerWaalsContact O-CD2 3.22Å; K103-H107 PolarHBondContact O-N 3.03Å; K103-L140 HydrophobicContact CB-CD2 4.03Å; K103-S141 WeakPolarHBondContact CE-OG 3.34Å; K103-S141 PolarHBondContact NZ-OG 3.4Å
104K98.6Very high97.4Very high120 Ų12054.4 Ų54.452%0.52230%0.296SS..Hα-helixtrans-51.5-55.2179.4179.3-173.2172.5-174.10111.5P100 T102 H107 E108P100-K104 WeakPolarHBondContact O-CB 3.19Å; P100-K104 PolarHBondContact O-N 3.5Å; T102-K104 VanDerWaalsContact C-N 3.35Å; T102-K104 PolarHBondContact O-N 3.26Å; K104-H107 PolarHBondContact O-N 3Å; K104-E108 WeakPolarHBondContact CE-OE1 3.17Å; K104-E108 VanDerWaalsContact O-CG 3.3Å; K104-E108 WeakPolarHBondContact O-CG 3.47Å; K104-E108 PolarHBondContact O-N 2.82Å
105H98.6Very high97.1Very high29 Ų2960.5 Ų60.513%0.13433%0.327CS..Hα-helixtrans-70.6-35.4-176.3-71.7-53000113.5R74 W77 V101 T102 K103 E108 L109R74-H105 VanDerWaalsContact CD-NE2 3.29Å; R74-H105 WeakPolarHBondContact CD-NE2 3.46Å; R74-H105 PolarHBondContact NH1-NE2 2.85Å; W77-H105 HydrophobicContact CE3-CB 4.28Å; W77-H105 HydrophobicContact CZ3-CB 3.71Å; V101-H105 PolarHBondContact O-CD2 3.1Å; V101-H105 VanDerWaalsContact O-CD2 3.3Å; V101-H105 PolarHBondContact O-N 2.9Å; V101-H105 VanDerWaalsContact O-N 3.17Å; T102-H105 PolarHBondContact O-N 3.21Å; K103-H105 PolarHBondContact O-N 3.39Å; H105-E108 IonicContact CE1-OE2 3.93Å; H105-E108 IonicContact CG-OE2 3.15Å; H105-E108 IonicContact ND1-OE2 3.99Å; H105-E108 PolarHBondContact ND1-OE2 3.32Å; H105-L109 WeakPolarHBondContact O-CG 3.29Å; H105-L109 PolarHBondContact O-N 2.94Å
106L98.6Very high96.9Very high0 Ų059.2 Ų59.20%032%0.32CS..Hα-helixtrans-56.9-57.8171.9176.359.7000109.3L87 F89 T102 K103 E108 L109 L110 L118 L142L87-L106 HydrophobicContact CD2-CD1 4.4Å; F89-L106 HydrophobicContact CB-CD1 4.18Å; F89-L106 HydrophobicContact CD1-CD1 4.48Å; F89-L106 HydrophobicContact CD2-CD1 3.72Å; F89-L106 HydrophobicContact CE2-CB 4.2Å; F89-L106 HydrophobicContact CE2-CD1 4.23Å; F89-L106 HydrophobicContact CG-CD1 3.85Å; F89-L106 HydrophobicContact CZ-CB 4.21Å; T102-L106 WeakPolarHBondContact O-CB 3.34Å; T102-L106 PolarHBondContact O-N 2.89Å; K103-L106 PolarHBondContact O-N 2.89Å; L106-E108 VanDerWaalsContact C-N 3.3Å; L106-E108 PolarHBondContact O-N 3.3Å; L106-L109 WeakPolarHBondContact O-CB 3.44Å; L106-L109 PolarHBondContact O-N 3.42Å; L106-L110 HydrophobicContact CD1-CD1 4.11Å; L106-L110 HydrophobicContact CD1-CD2 3.66Å; L106-L110 HydrophobicContact CD1-CG 3.93Å; L106-L110 HydrophobicContact CG-CD1 3.94Å; L106-L110 HydrophobicContact CG-CD2 4.35Å; L106-L110 HydrophobicContact CG-CG 4.06Å; L106-L110 WeakPolarHBondContact O-CG 3.44Å; L106-L110 PolarHBondContact O-N 3.08Å; L106-L118 HydrophobicContact CD1-CD1 4.05Å; L106-L118 HydrophobicContact CD1-CD2 4.21Å; L106-L142 HydrophobicContact CD2-CD2 3.73Å
107H98.3Very high96.9Very high42 Ų4257.2 Ų57.219%0.19431%0.307CS..Hα-helixtrans-61.4-33.3-177.1-80.6-85.8000113.8K103 K104 L109 L110 A111 L140 S141K103-H107 VanDerWaalsContact CG-CD2 3.48Å; K103-H107 WeakPolarHBondContact CG-CD2 3.37Å; K103-H107 WeakPolarHBondContact O-CB 3.46Å; K103-H107 PolarHBondContact O-CD2 2.89Å; K103-H107 VanDerWaalsContact O-CD2 3.22Å; K103-H107 PolarHBondContact O-N 3.03Å; K104-H107 PolarHBondContact O-N 3Å; H107-L109 VanDerWaalsContact C-N 3.33Å; H107-L109 PolarHBondContact O-N 2.88Å; H107-L110 PolarHBondContact O-N 2.93Å; H107-A111 WeakPolarHBondContact O-CB 3.31Å; H107-A111 PolarHBondContact O-N 2.86Å; H107-L140 PolarHBondContact NE2-O 2.83Å; H107-S141 PolarHBondContact CE1-O 3.12Å; H107-S141 PolarHBondContact NE2-O 2.82Å
108E97.5Very high96.9Very high72 Ų7249.1 Ų49.134%0.33627%0.269SS..Hα-helixtrans-58.5-42.5171.1-77.2169171.700112.3K104 H105 L106 L112K104-E108 WeakPolarHBondContact CE-OE1 3.17Å; K104-E108 VanDerWaalsContact O-CG 3.3Å; K104-E108 WeakPolarHBondContact O-CG 3.47Å; K104-E108 PolarHBondContact O-N 2.82Å; H105-E108 IonicContact CE1-OE2 3.93Å; H105-E108 IonicContact CG-OE2 3.15Å; H105-E108 IonicContact ND1-OE2 3.99Å; H105-E108 PolarHBondContact ND1-OE2 3.32Å; L106-E108 VanDerWaalsContact C-N 3.3Å; L106-E108 PolarHBondContact O-N 3.3Å; E108-L112 WeakPolarHBondContact O-CG 3.39Å
109L97.4Very high96.9Very high5 Ų546.2 Ų46.23%0.02625%0.254CS..Hα-helixtrans-70-42.7176.1-62.1166.8000111.2L21 W77 Q78 L87 F89 H105 L106 H107 A111 L112 H113L21-L109 HydrophobicContact CD1-CD1 3.55Å; W77-L109 HydrophobicContact CB-CD2 4.01Å; W77-L109 HydrophobicContact CE3-CD1 4.03Å; Q78-L109 HydrophobicContact CG-CD2 3.82Å; L87-L109 HydrophobicContact CD2-CD1 4.34Å; F89-L109 HydrophobicContact CD2-CD1 4.43Å; F89-L109 HydrophobicContact CE2-CD1 4.11Å; H105-L109 WeakPolarHBondContact O-CG 3.29Å; H105-L109 PolarHBondContact O-N 2.94Å; L106-L109 WeakPolarHBondContact O-CB 3.44Å; L106-L109 PolarHBondContact O-N 3.42Å; H107-L109 VanDerWaalsContact C-N 3.33Å; H107-L109 PolarHBondContact O-N 2.88Å; L109-A111 VanDerWaalsContact C-N 3.31Å; L109-A111 PolarHBondContact O-N 2.98Å; L109-L112 PolarHBondContact O-N 2.8Å; L109-H113 PolarHBondContact O-N 2.83Å; L109-H113 VanDerWaalsContact O-N 3.14Å
110L96.3Very high96.9Very high9 Ų945.7 Ų45.75%0.04725%0.252CS..Hα-helixtrans-63.4-35.3-177.8-65.7-158.1000112.8L87 L106 H107 H113 L118 A145 R148L87-L110 HydrophobicContact CD2-CD2 4.08Å; L106-L110 HydrophobicContact CD1-CD1 4.11Å; L106-L110 HydrophobicContact CD1-CD2 3.66Å; L106-L110 HydrophobicContact CD1-CG 3.93Å; L106-L110 HydrophobicContact CG-CD1 3.94Å; L106-L110 HydrophobicContact CG-CD2 4.35Å; L106-L110 HydrophobicContact CG-CG 4.06Å; L106-L110 WeakPolarHBondContact O-CG 3.44Å; L106-L110 PolarHBondContact O-N 3.08Å; H107-L110 PolarHBondContact O-N 2.93Å; L110-H113 CarbonylContact O-C 3.57Å; L110-L118 HydrophobicContact CD1-CD2 4.09Å; L110-L118 HydrophobicContact CD2-CD2 4.24Å; L110-A145 HydrophobicContact CD1-CB 3.82Å; L110-R148 PolarHBondContact O-NH2 2.88Å
111A95.8Very high96.9Very high82 Ų8241.2 Ų41.268%0.67822%0.223SC*.Hα-helixtrans-69.9-33.9178.200000112.5H107 L109H107-A111 WeakPolarHBondContact O-CB 3.31Å; H107-A111 PolarHBondContact O-N 2.86Å; L109-A111 VanDerWaalsContact C-N 3.31Å; L109-A111 PolarHBondContact O-N 2.98Å
112L94.7Very high96.9Very high96 Ų9639.2 Ų39.250%0.50321%0.211SC..Hα-helixtrans-79.3-25.2178.6-66172.8000112.5Q78 E108 L109Q78-L112 HydrophobicContact CB-CD1 4.48Å; Q78-L112 HydrophobicContact CG-CD1 3.87Å; E108-L112 WeakPolarHBondContact O-CG 3.39Å; L109-L112 PolarHBondContact O-N 2.8Å
113H93.8Very high96.9Very high41 Ų4139.3 Ų39.319%0.1921%0.211CC..  trans-129.973.3-174.7-60.9-71.6000111.2T81 L109 L110 N115 L116T81-H113 HydrophobicContact CG2-CB 4.28Å; T81-H113 WeakPolarHBondContact CG2-CD2 3.26Å; L109-H113 PolarHBondContact O-N 2.83Å; L109-H113 VanDerWaalsContact O-N 3.14Å; L110-H113 CarbonylContact O-C 3.57Å; H113-N115 PolarHBondContact O-N 2.83Å; H113-L116 HydrophobicContact CB-CB 3.9Å; H113-L116 HydrophobicContact CB-CD2 4.27Å; H113-L116 PolarHBondContact O-N 3.35Å
114P91.9Very high96.9Very high75 Ų7538.8 Ų38.849%0.48721%0.209SC..THydrogen-bonded Turntrans-60.9-31.7-17021.4-33000114.1R148P114-R148 VanDerWaalsContact CA-NH2 3.32Å; P114-R148 PolarHBondContact O-NE 3.32Å; P114-R148 VanDerWaalsContact O-NE 3.07Å; P114-R148 PolarHBondContact O-NH2 2.92Å
115N91.8Very high96.9Very high143 Ų14335.7 Ų35.777%0.76520%0.196SC*.THydrogen-bonded Turntrans-98.4-3.8-173.9-58.9-25.5000113.9H113 P117H113-N115 PolarHBondContact O-N 2.83Å; N115-P117 VanDerWaalsContact O-CD 3.28Å; N115-P117 WeakPolarHBondContact O-CD 3.42Å
116L94.6Very high96.7Very high22 Ų2236.6 Ų36.612%0.11520%0.202CC..  trans-69.6121-176.2179.963.8000109.8T81 A84 L87 H113 R148T81-L116 HydrophobicContact CG2-CD2 3.39Å; A84-L116 HydrophobicContact CB-CD1 4.05Å; A84-L116 HydrophobicContact CB-CD2 4.33Å; A84-L116 WeakPolarHBondContact O-CD1 3.27Å; L87-L116 HydrophobicContact CB-CD2 3.8Å; L87-L116 HydrophobicContact CB-CG 4.19Å; H113-L116 HydrophobicContact CB-CB 3.9Å; H113-L116 HydrophobicContact CB-CD2 4.27Å; H113-L116 PolarHBondContact O-N 3.35Å; L116-R148 WeakPolarHBondContact O-CD 3.27Å
117P97Very high96.7Very high21 Ų2139.8 Ų39.814%0.13622%0.219CC..  trans-55.5144.5173.6-26.436000111.8L85 L86 L87 N115 Q149 M178L85-P117 WeakPolarHBondContact O-CD 3.25Å; L86-P117 HydrophobicContact CD1-CB 3.94Å; L86-P117 WeakPolarHBondContact CD1-O 3.21Å; L87-P117 PolarHBondContact N-O 3.33Å; N115-P117 VanDerWaalsContact O-CD 3.28Å; N115-P117 WeakPolarHBondContact O-CD 3.42Å; P117-Q149 HydrophobicContact CB-CB 4.45Å; P117-M178 HydrophobicContact CB-CE 3.52Å
118L98.3Very high96.6Very high0 Ų044.1 Ų44.10%025%0.251CS..EExtended strand (participates in β ladder)trans-125.8127.5-175.8173.162.6000110.7L87 F89 L106 L110 V120 Q149 L150 F151L87-L118 HydrophobicContact CB-CD1 4.38Å; L87-L118 HydrophobicContact CD2-CD1 4.05Å; L87-L118 HydrophobicContact CG-CD1 3.99Å; L87-L118 WeakPolarHBondContact O-CA 3.31Å; F89-L118 HydrophobicContact CB-CD1 4.01Å; L106-L118 HydrophobicContact CD1-CD1 4.05Å; L106-L118 HydrophobicContact CD1-CD2 4.21Å; L110-L118 HydrophobicContact CD1-CD2 4.09Å; L110-L118 HydrophobicContact CD2-CD2 4.24Å; L118-V120 HydrophobicContact CD1-CG2 3.96Å; L118-V120 HydrophobicContact CD2-CG2 3.91Å; L118-V120 HydrophobicContact CG-CG2 3.88Å; L118-Q149 PolarHBondContact N-O 3.21Å; L118-L150 HydrophobicContact CD2-CD1 3.84Å; L118-L150 HydrophobicContact CD2-CG 4.27Å; L118-L150 HydrophobicContact CG-CG 4.48Å; L118-L150 CarbonylContact O-C 3.59Å; L118-L150 VanDerWaalsContact O-CA 3.27Å; L118-L150 WeakPolarHBondContact O-CA 3.37Å; L118-F151 PolarHBondContact O-N 3.48Å
119M98.7Very high96.5Very high0 Ų045.1 Ų45.10%026%0.262CS..EExtended strand (participates in β ladder)trans-115.9115.1163.7-178.7177.4-64.300109.2L86 L87 V88 F89 L121 F151 I153 A171 L174 I175 M178L86-M119 HydrophobicContact CD1-CB 4.18Å; L87-M119 PolarHBondContact O-N 3.18Å; V88-M119 CarbonylContact C-O 3.56Å; V88-M119 VanDerWaalsContact CA-O 3.32Å; V88-M119 WeakPolarHBondContact CA-O 3.42Å; V88-M119 HydrophobicContact CG2-CB 4.34Å; F89-M119 PolarHBondContact N-O 2.97Å; M119-L121 HydrophobicContact CG-CD2 3.83Å; M119-L121 HydrophobicContact CG-CG 4.45Å; M119-L121 HydrophobicContact SD-CD2 3.83Å; M119-F151 CarbonylContact C-O 3.44Å; M119-F151 WeakPolarHBondContact CA-O 3.46Å; M119-F151 HydrophobicContact CG-CB 4.36Å; M119-I153 HydrophobicContact CE-CD1 4.4Å; M119-I153 HydrophobicContact SD-CD1 4.3Å; M119-A171 HydrophobicContact SD-CB 4.07Å; M119-L174 HydrophobicContact CE-CB 3.93Å; M119-L174 HydrophobicContact CE-CD2 3.78Å; M119-L174 HydrophobicContact CE-CG 3.79Å; M119-I175 HydrophobicContact CE-CG1 3.65Å; M119-I175 HydrophobicContact SD-CD1 3.88Å; M119-I175 HydrophobicContact SD-CG1 3.65Å; M119-M178 HydrophobicContact CE-SD 3.99Å
120V98.9Very high96.5Very high0 Ų046.4 Ų46.40%027%0.272CS..EExtended strand (participates in β ladder)trans-92.5125.5171.8-177.40000108.7F89 V91 L118 L136 L140 L142 F151 L152 I153F89-V120 WeakPolarHBondContact O-CA 3Å; V91-V120 HydrophobicContact CG2-CG1 3.92Å; L118-V120 HydrophobicContact CD1-CG2 3.96Å; L118-V120 HydrophobicContact CD2-CG2 3.91Å; L118-V120 HydrophobicContact CG-CG2 3.88Å; V120-L136 HydrophobicContact CG1-CD2 4.1Å; V120-L140 HydrophobicContact CG1-CD1 4.37Å; V120-L142 HydrophobicContact CB-CD1 4.49Å; V120-L142 HydrophobicContact CG2-CD1 4.1Å; V120-L142 HydrophobicContact CG2-CD2 4.23Å; V120-F151 PolarHBondContact N-O 3.48Å; V120-L152 HydrophobicContact CB-CD1 3.7Å; V120-L152 HydrophobicContact CG1-CD1 3.58Å; V120-L152 WeakPolarHBondContact O-CA 3.42Å; V120-I153 PolarHBondContact O-N 2.86Å
121L98.9Very high96.6Very high0 Ų047.2 Ų47.20%028%0.278CS..EExtended strand (participates in β ladder)trans-102.8105.9172.8-57.9-176000108.6L31 F35 V88 F89 V90 V91 M119 N123 I153 T155 A171L31-L121 HydrophobicContact CD1-CB 4.47Å; L31-L121 HydrophobicContact CD1-CD1 3.92Å; F35-L121 HydrophobicContact CE2-CD1 4.5Å; F35-L121 HydrophobicContact CZ-CD1 4.03Å; V88-L121 HydrophobicContact CG1-CD1 3.65Å; V88-L121 HydrophobicContact CG1-CG 3.97Å; F89-L121 PolarHBondContact O-N 2.83Å; V90-L121 HydrophobicContact CG2-CB 4.45Å; V90-L121 HydrophobicContact CG2-CD1 4.34Å; V91-L121 PolarHBondContact N-O 3.35Å; M119-L121 HydrophobicContact CG-CD2 3.83Å; M119-L121 HydrophobicContact CG-CG 4.45Å; M119-L121 HydrophobicContact SD-CD2 3.83Å; L121-N123 VanDerWaalsContact C-N 3.3Å; L121-N123 PolarHBondContact O-N 3.03Å; L121-I153 WeakPolarHBondContact CA-O 3.36Å; L121-I153 HydrophobicContact CD2-CB 4.11Å; L121-T155 HydrophobicContact CB-CG2 4.46Å; L121-T155 HydrophobicContact CD2-CG2 4.08Å; L121-A171 HydrophobicContact CD2-CB 3.73Å
122A98.8Very high96.7Very high0 Ų045.7 Ų45.70%026%0.262CS..EExtended strand (participates in β ladder)trans-7587.2170.200000107.9Q125 I133 L136 L152 I153 G154 T155A122-Q125 WeakPolarHBondContact O-CG 3.25Å; A122-I133 HydrophobicContact CB-CD1 3.8Å; A122-L136 HydrophobicContact CB-CD1 4.03Å; A122-L136 HydrophobicContact CB-CD2 4.14Å; A122-L152 HydrophobicContact CB-CD1 4.14Å; A122-I153 PolarHBondContact N-O 3.31Å; A122-G154 WeakPolarHBondContact O-CA 3.5Å; A122-T155 PolarHBondContact O-N 2.92Å
123N98.6Very high96.8Very high6 Ų644 Ų443%0.03225%0.252CS..EExtended strand (participates in β ladder)trans-85.7160.4-172.5-169.231.5000111.9A26 L31 V90 V91 S93 L121 T155A26-N123 PolarHBondContact O-ND2 2.93Å; L31-N123 HydrophobicContact CD1-CB 4.27Å; V90-N123 HydrophobicContact CG1-CB 3.86Å; V91-N123 WeakPolarHBondContact O-CB 3.48Å; V91-N123 PolarHBondContact O-N 3.01Å; S93-N123 WeakPolarHBondContact CB-O 3.47Å; S93-N123 PolarHBondContact N-O 3.44Å; S93-N123 PolarHBondContact OG-O 2.86Å; L121-N123 VanDerWaalsContact C-N 3.3Å; L121-N123 PolarHBondContact O-N 3.03Å; N123-T155 CarbonylContact C-O 3.52Å; N123-T155 VanDerWaalsContact CA-O 3.29Å; N123-T155 WeakPolarHBondContact CA-O 3.13Å; N123-T155 WeakPolarHBondContact CA-OG1 3.29Å; N123-T155 PolarHBondContact OD1-O 3.2Å; N123-T155 PolarHBondContact OD1-OG1 2.78Å
124K97.6Very high97Very high52 Ų5246.4 Ų46.423%0.22627%0.271CS..  trans68.432.6-177.5-42.1-167.3-166.6169.80114.3G25 D92 A94 D126 L127 S130 T155G25-K124 VanDerWaalsContact O-CE 3.27Å; G25-K124 WeakPolarHBondContact O-CE 3.37Å; G25-K124 PolarHBondContact O-NZ 3.28Å; D92-K124 WeakPolarHBondContact OD1-CD 3.45Å; D92-K124 IonicContact OD1-NZ 2.8Å; D92-K124 WeakPolarHBondContact OD2-CE 3.37Å; D92-K124 IonicContact OD2-NZ 2.78Å; D92-K124 PolarHBondContact OD2-NZ 3.46Å; A94-K124 HydrophobicContact CB-CB 4.22Å; K124-D126 PolarHBondContact O-N 3.42Å; K124-D126 VanDerWaalsContact O-N 3.12Å; K124-L127 HydrophobicContact CB-CD1 3.87Å; K124-L127 HydrophobicContact CB-CG 4.17Å; K124-L127 HydrophobicContact CD-CD1 4.01Å; K124-L127 WeakPolarHBondContact O-CB 3.3Å; K124-L127 PolarHBondContact O-N 2.77Å; K124-L127 VanDerWaalsContact O-N 3.1Å; K124-S130 WeakPolarHBondContact O-CB 3.27Å; K124-T155 PolarHBondContact N-O 3.04Å
125Q98Very high97.3Very high54 Ų5447.1 Ų47.125%0.25227%0.27SS..THydrogen-bonded Turntrans-64.8-8.4175.9-72-76.9-60.300114S93 A122 L127 S130 C131 T155S93-Q125 VanDerWaalsContact CB-NE2 3.3Å; S93-Q125 PolarHBondContact OG-NE2 3.42Å; A122-Q125 WeakPolarHBondContact O-CG 3.25Å; Q125-L127 VanDerWaalsContact C-N 3.32Å; Q125-S130 PolarHBondContact O-OG 3.33Å; Q125-C131 PolarHBondContact NE2-O 3.14Å; Q125-T155 PolarHBondContact N-O 3.38Å; Q125-T155 VanDerWaalsContact N-O 3.08Å
126D96Very high97.7Very high49 Ų4940.3 Ų40.326%0.26223%0.234SC..THydrogen-bonded Turntrans-80.7-13.4173.367.4-50.1000113.7K124 Y156 R158K124-D126 PolarHBondContact O-N 3.42Å; K124-D126 VanDerWaalsContact O-N 3.12Å; D126-Y156 HydrophobicContact CB-CD1 4.15Å; D126-Y156 HydrophobicContact CB-CD2 3.78Å; D126-Y156 HydrophobicContact CB-CE2 4.37Å; D126-Y156 HydrophobicContact CB-CG 3.66Å; D126-Y156 VanDerWaalsContact OD1-CB 3.27Å; D126-Y156 WeakPolarHBondContact OD1-CB 3.41Å; D126-R158 IonicContact OD2-CZ 2.69Å; D126-R158 IonicContact OD2-NE 3.86Å; D126-R158 PolarHBondContact OD2-NE 3.28Å; D126-R158 VanDerWaalsContact OD2-NE 3.15Å; D126-R158 IonicContact OD2-NH2 2.7Å
127L96.9Very high97.8Very high67 Ų6742.1 Ų42.135%0.35124%0.241SC..SBendtrans-83.5142.4179.1-60.9-177.2000111.2A94 K124 Q125 T129 S130A94-L127 HydrophobicContact CB-CB 3.92Å; A94-L127 HydrophobicContact CB-CD1 3.67Å; A94-L127 HydrophobicContact CB-CG 4.37Å; K124-L127 HydrophobicContact CB-CD1 3.87Å; K124-L127 HydrophobicContact CB-CG 4.17Å; K124-L127 HydrophobicContact CD-CD1 4.01Å; K124-L127 WeakPolarHBondContact O-CB 3.3Å; K124-L127 PolarHBondContact O-N 2.77Å; K124-L127 VanDerWaalsContact O-N 3.1Å; Q125-L127 VanDerWaalsContact C-N 3.32Å; L127-T129 PolarHBondContact O-N 3.32Å; L127-S130 VanDerWaalsContact O-CB 3.25Å; L127-S130 WeakPolarHBondContact O-CB 3.43Å; L127-S130 PolarHBondContact O-N 3.38Å; L127-S130 PolarHBondContact O-OG 3.17Å
128P96.5Very high97.9Very high133 Ų13345.6 Ų45.686%0.86426%0.259SS*.THydrogen-bonded Turntrans-67.4-18.4-178.927.9-35.9000113.6S130P128-S130 VanDerWaalsContact C-N 3.32Å
129T96.8Very high97.9Very high93 Ų9347.6 Ų47.657%0.57128%0.275SS*.THydrogen-bonded Turntrans-88.80.5175.756.90000113A94 L127 C131A94-T129 WeakPolarHBondContact CB-OG1 3.49Å; A94-T129 PolarHBondContact O-OG1 2.93Å; L127-T129 PolarHBondContact O-N 3.32Å; T129-C131 PolarHBondContact O-N 2.97Å
130S97.4Very high97.9Very high32 Ų3247.6 Ų47.622%0.22428%0.275CS..PPolyproline II helixtrans-63.8132.9178.1620000111.6S93 K124 Q125 L127 P128S93-S130 WeakPolarHBondContact O-CA 3.35Å; K124-S130 WeakPolarHBondContact O-CB 3.27Å; Q125-S130 PolarHBondContact O-OG 3.33Å; L127-S130 VanDerWaalsContact O-CB 3.25Å; L127-S130 WeakPolarHBondContact O-CB 3.43Å; L127-S130 PolarHBondContact O-N 3.38Å; L127-S130 PolarHBondContact O-OG 3.17Å; P128-S130 VanDerWaalsContact C-N 3.32Å
131C96.8Very high97.9Very high26 Ų2648.4 Ų48.418%0.17628%0.281CS..PPolyproline II helixtrans-72.3151.4171.3-64.90000110.4S93 F99 Q125 T129 D135S93-C131 PolarHBondContact O-N 3.32Å; F99-C131 HydrophobicContact CE2-CB 4.21Å; F99-C131 HydrophobicContact CZ-CB 4.18Å; Q125-C131 PolarHBondContact NE2-O 3.14Å; T129-C131 PolarHBondContact O-N 2.97Å; C131-D135 HydrophobicContact CB-CB 4.26Å
132S98.1Very high97.9Very high49 Ų4948.7 Ų48.734%0.34328%0.283SS..PPolyproline II helixtrans-65.5160.7171.6770000111T134 D135 L136S132-T134 PolarHBondContact O-N 3.47Å; S132-D135 WeakPolarHBondContact CB-OD2 3.26Å; S132-D135 PolarHBondContact O-N 3.01Å; S132-D135 PolarHBondContact OG-N 3.18Å; S132-D135 VanDerWaalsContact OG-N 3.1Å; S132-D135 PolarHBondContact OG-OD2 2.62Å; S132-L136 WeakPolarHBondContact O-CB 3.42Å; S132-L136 PolarHBondContact O-N 2.91Å
133I98Very high97.8Very high60 Ų6053.2 Ų53.231%0.30831%0.314SS..Hα-helixtrans-57-40.3174.8-61.1-55.2000111.4A122 H137 L152A122-I133 HydrophobicContact CB-CD1 3.8Å; I133-H137 WeakPolarHBondContact O-CB 3.47Å; I133-H137 PolarHBondContact O-N 3.1Å; I133-L152 HydrophobicContact CG2-CD2 3.51Å; I133-L152 HydrophobicContact CG2-CG 3.78Å; I133-L152 WeakPolarHBondContact O-CD2 3.12Å
134T98.1Very high97.7Very high93 Ų9359.1 Ų59.157%0.57134%0.341SS*.Hα-helixtrans-66.2-45.9177.9-54.50000111.7S132 L136 H137 D138S132-T134 PolarHBondContact O-N 3.47Å; T134-L136 VanDerWaalsContact C-N 3.3Å; T134-L136 PolarHBondContact O-N 2.85Å; T134-H137 WeakPolarHBondContact O-CB 3.25Å; T134-H137 PolarHBondContact O-N 3.03Å; T134-D138 PolarHBondContact O-N 3.2Å; T134-D138 VanDerWaalsContact O-N 3.09Å
135D98.2Very high97.5Very high90 Ų9056.8 Ų56.848%0.48133%0.332SS..Hα-helixtrans-64.1-38.8179.6-60.7-42.9000111.5C131 S132 D138 A139C131-D135 HydrophobicContact CB-CB 4.26Å; S132-D135 WeakPolarHBondContact CB-OD2 3.26Å; S132-D135 PolarHBondContact O-N 3.01Å; S132-D135 PolarHBondContact OG-N 3.18Å; S132-D135 VanDerWaalsContact OG-N 3.1Å; S132-D135 PolarHBondContact OG-OD2 2.62Å; D135-D138 PolarHBondContact O-N 2.81Å; D135-A139 WeakPolarHBondContact O-CB 3.34Å; D135-A139 PolarHBondContact O-N 2.7Å
136L98.6Very high97.1Very high0 Ų056.8 Ų56.80%035%0.346CS..Hα-helixtrans-69.6-38.5177.9-171.3135.9000111.9V91 F99 V120 A122 S132 T134 D138 A139 L140 L152V91-L136 HydrophobicContact CB-CD1 4.3Å; V91-L136 HydrophobicContact CG1-CD1 3.85Å; F99-L136 HydrophobicContact CE1-CD1 4.13Å; F99-L136 HydrophobicContact CZ-CD1 3.83Å; F99-L136 HydrophobicContact CZ-CG 4.48Å; V120-L136 HydrophobicContact CG1-CD2 4.1Å; A122-L136 HydrophobicContact CB-CD1 4.03Å; A122-L136 HydrophobicContact CB-CD2 4.14Å; S132-L136 WeakPolarHBondContact O-CB 3.42Å; S132-L136 PolarHBondContact O-N 2.91Å; T134-L136 VanDerWaalsContact C-N 3.3Å; T134-L136 PolarHBondContact O-N 2.85Å; L136-D138 VanDerWaalsContact C-N 3.29Å; L136-D138 PolarHBondContact O-N 3.35Å; L136-A139 PolarHBondContact O-N 3.42Å; L136-L140 HydrophobicContact CD2-CD1 3.64Å; L136-L140 HydrophobicContact CD2-CG 4.4Å; L136-L140 HydrophobicContact CG-CD1 4.01Å; L136-L140 HydrophobicContact CG-CG 4.36Å; L136-L140 WeakPolarHBondContact O-CB 3.48Å; L136-L140 WeakPolarHBondContact O-CG 3.37Å; L136-L140 PolarHBondContact O-N 3.1Å; L136-L152 HydrophobicContact CD2-CD1 3.66Å; L136-L152 HydrophobicContact CD2-CD2 4.32Å
137H98.6Very high96.9Very high59 Ų5963.1 Ų63.127%0.27338%0.38SS..Hα-helixtrans-55.1-47.4172.3173.3-80.4000111.3I133 T134 S141 L142 L152I133-H137 WeakPolarHBondContact O-CB 3.47Å; I133-H137 PolarHBondContact O-N 3.1Å; T134-H137 WeakPolarHBondContact O-CB 3.25Å; T134-H137 PolarHBondContact O-N 3.03Å; H137-S141 PolarHBondContact O-N 2.81Å; H137-S141 VanDerWaalsContact O-N 3.08Å; H137-L142 PolarHBondContact O-N 3.03Å; H137-L152 HydrophobicContact CB-CD2 3.85Å
138D98.6Very high96.8Very high95 Ų9561.5 Ų61.551%0.50837%0.37SS..Hα-helixtrans-72.4-44.2-178-68.2-9.7000111.8T134 D135 L136 L140 S141T134-D138 PolarHBondContact O-N 3.2Å; T134-D138 VanDerWaalsContact O-N 3.09Å; D135-D138 PolarHBondContact O-N 2.81Å; L136-D138 VanDerWaalsContact C-N 3.29Å; L136-D138 PolarHBondContact O-N 3.35Å; D138-L140 VanDerWaalsContact C-N 3.28Å; D138-L140 PolarHBondContact O-N 2.93Å; D138-S141 WeakPolarHBondContact O-CA 3.33Å; D138-S141 PolarHBondContact O-N 2.92Å; D138-S141 PolarHBondContact O-OG 2.98Å
139A98.6Very high96.7Very high41 Ų4159.3 Ų59.334%0.33935%0.348SS..Hα-helixtrans-62.1-34.6179.900000113F99 D135 L136 S141F99-A139 HydrophobicContact CB-CB 4.49Å; F99-A139 HydrophobicContact CD2-CB 3.53Å; F99-A139 HydrophobicContact CE2-CB 4.12Å; F99-A139 HydrophobicContact CG-CB 4.37Å; D135-A139 WeakPolarHBondContact O-CB 3.34Å; D135-A139 PolarHBondContact O-N 2.7Å; L136-A139 PolarHBondContact O-N 3.42Å; A139-S141 VanDerWaalsContact C-N 3.35Å
140L98.7Very high96.8Very high0 Ų057.4 Ų57.40%033%0.334CS..THydrogen-bonded Turntrans-88.4-5.6174.5-59.1-176.3000112.9V91 F99 T102 K103 H107 V120 L136 D138 L142V91-L140 HydrophobicContact CG1-CD1 4.41Å; V91-L140 HydrophobicContact CG2-CD1 3.89Å; F99-L140 HydrophobicContact CB-CD2 4.38Å; T102-L140 HydrophobicContact CG2-CD2 3.82Å; K103-L140 HydrophobicContact CB-CD2 4.03Å; H107-L140 PolarHBondContact NE2-O 2.83Å; V120-L140 HydrophobicContact CG1-CD1 4.37Å; L136-L140 HydrophobicContact CD2-CD1 3.64Å; L136-L140 HydrophobicContact CD2-CG 4.4Å; L136-L140 HydrophobicContact CG-CD1 4.01Å; L136-L140 HydrophobicContact CG-CG 4.36Å; L136-L140 WeakPolarHBondContact O-CB 3.48Å; L136-L140 WeakPolarHBondContact O-CG 3.37Å; L136-L140 PolarHBondContact O-N 3.1Å; D138-L140 VanDerWaalsContact C-N 3.28Å; D138-L140 PolarHBondContact O-N 2.93Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L140-L142 HydrophobicContact CB-CD2 3.75Å; L140-L142 HydrophobicContact CB-CG 3.98Å; L140-L142 PolarHBondContact O-N 3.4Å
141S98.4Very high96.8Very high18 Ų1858.7 Ų58.713%0.12634%0.335CS..THydrogen-bonded Turntrans5152.3-177.5-49.30000111.7K103 H107 H137 D138 A139 S143 E144K103-S141 WeakPolarHBondContact CE-OG 3.34Å; K103-S141 PolarHBondContact NZ-OG 3.4Å; H107-S141 PolarHBondContact CE1-O 3.12Å; H107-S141 PolarHBondContact NE2-O 2.82Å; H137-S141 PolarHBondContact O-N 2.81Å; H137-S141 VanDerWaalsContact O-N 3.08Å; D138-S141 WeakPolarHBondContact O-CA 3.33Å; D138-S141 PolarHBondContact O-N 2.92Å; D138-S141 PolarHBondContact O-OG 2.98Å; A139-S141 VanDerWaalsContact C-N 3.35Å; S141-S143 PolarHBondContact O-N 3.03Å; S141-E144 WeakPolarHBondContact O-CB 3.49Å; S141-E144 PolarHBondContact O-N 2.94Å
142L98.1Very high96.9Very high6 Ų659.1 Ų59.13%0.03134%0.336CS..G310 helixtrans-68.5-17.9-178.6-59.5-175.4000112.7L106 V120 H137 L140 E144 A145 L150 L152L106-L142 HydrophobicContact CD2-CD2 3.73Å; V120-L142 HydrophobicContact CB-CD1 4.49Å; V120-L142 HydrophobicContact CG2-CD1 4.1Å; V120-L142 HydrophobicContact CG2-CD2 4.23Å; H137-L142 PolarHBondContact O-N 3.03Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L140-L142 HydrophobicContact CB-CD2 3.75Å; L140-L142 HydrophobicContact CB-CG 3.98Å; L140-L142 PolarHBondContact O-N 3.4Å; L142-E144 PolarHBondContact O-N 3.21Å; L142-A145 WeakPolarHBondContact O-CB 3.27Å; L142-A145 PolarHBondContact O-N 2.78Å; L142-L150 HydrophobicContact CB-CD1 4.05Å; L142-L150 HydrophobicContact CD1-CD2 4.43Å; L142-L152 HydrophobicContact CD1-CD2 4.07Å
143S96.8Very high96.9Very high94 Ų9458 Ų5866%0.65733%0.326SS*.G310 helixtrans-60.5-20.5167.251.90000113.5S141S141-S143 PolarHBondContact O-N 3.03Å
144E96.4Very high96.9Very high130 Ų13056.3 Ų56.361%0.60732%0.323SS*.G310 helixtrans-95.69.2176.9-60.9173.5-166.900112.1S141 L142 G146S141-E144 WeakPolarHBondContact O-CB 3.49Å; S141-E144 PolarHBondContact O-N 2.94Å; L142-E144 PolarHBondContact O-N 3.21Å; E144-G146 PolarHBondContact O-N 3.42Å
145A93.6Very high97Very high4 Ų451.9 Ų51.93%0.03330%0.296CS..SBendtrans-75.32.4-179.900000114.1L110 L142 R148 L150L110-A145 HydrophobicContact CD1-CB 3.82Å; L142-A145 WeakPolarHBondContact O-CB 3.27Å; L142-A145 PolarHBondContact O-N 2.78Å; A145-R148 WeakPolarHBondContact O-CD 3.04Å; A145-R148 PolarHBondContact O-NE 3.15Å; A145-R148 PolarHBondContact O-NH1 3.43Å; A145-R148 PolarHBondContact O-NH2 3.01Å; A145-L150 HydrophobicContact CB-CD1 3.66Å
146G91Very high96.9Very high53 Ų5351.1 Ų51.155%0.54629%0.287SS..  trans75.1-171.9-178.600000113.9E144 R148E144-G146 PolarHBondContact O-N 3.42Å; G146-R148 PolarHBondContact O-N 2.93Å
147D90.7Very high96.5Very high183 Ų18352.6 Ų52.698%0.97930%0.296SS*.SBendtrans-80.921.1-170.7-61.1-31.7000114.6
148R94.4Very high96Very high33 Ų3355.2 Ų55.213%0.12530%0.303CS..SBendtrans-77.7160.7-179.766-169.557.81479.1112.2L110 P114 L116 A145 G146 L150L110-R148 PolarHBondContact O-NH2 2.88Å; P114-R148 VanDerWaalsContact CA-NH2 3.32Å; P114-R148 PolarHBondContact O-NE 3.32Å; P114-R148 VanDerWaalsContact O-NE 3.07Å; P114-R148 PolarHBondContact O-NH2 2.92Å; L116-R148 WeakPolarHBondContact O-CD 3.27Å; A145-R148 WeakPolarHBondContact O-CD 3.04Å; A145-R148 PolarHBondContact O-NE 3.15Å; A145-R148 PolarHBondContact O-NH1 3.43Å; A145-R148 PolarHBondContact O-NH2 3.01Å; G146-R148 PolarHBondContact O-N 2.93Å; R148-L150 PolarHBondContact O-N 3.11Å
149Q95.4Very high95.4Very high87 Ų8755.7 Ų55.741%0.40730%0.301SS..  trans-65.5120.6166.5-157.1-179.526.700109.4P117 L118 F151 M178P117-Q149 HydrophobicContact CB-CB 4.45Å; L118-Q149 PolarHBondContact N-O 3.21Å; Q149-F151 HydrophobicContact CG-CD2 4.47Å; Q149-F151 HydrophobicContact CG-CE2 3.68Å; Q149-F151 HydrophobicContact CG-CZ 4.12Å; Q149-M178 HydrophobicContact CG-CE 4.43Å
150L97.6Very high94.5Very high52 Ų5256.8 Ų56.827%0.27232%0.316SS..EExtended strand (participates in β ladder)trans-127.7129.1-177.9-172.6154000110.4L118 L142 A145 R148 L152L118-L150 HydrophobicContact CD2-CD1 3.84Å; L118-L150 HydrophobicContact CD2-CG 4.27Å; L118-L150 HydrophobicContact CG-CG 4.48Å; L118-L150 CarbonylContact O-C 3.59Å; L118-L150 VanDerWaalsContact O-CA 3.27Å; L118-L150 WeakPolarHBondContact O-CA 3.37Å; L142-L150 HydrophobicContact CB-CD1 4.05Å; L142-L150 HydrophobicContact CD1-CD2 4.43Å; A145-L150 HydrophobicContact CB-CD1 3.66Å; R148-L150 PolarHBondContact O-N 3.11Å; L150-L152 HydrophobicContact CD2-CB 4.49Å
151F98.4Very high93.7Very high59 Ų5959.8 Ų59.826%0.25933%0.332SS..EExtended strand (participates in β ladder)trans-121.1140.9169.1-62.9-78.9000110.6L118 M119 V120 Q149 L174 M178L118-F151 PolarHBondContact O-N 3.48Å; M119-F151 CarbonylContact C-O 3.44Å; M119-F151 WeakPolarHBondContact CA-O 3.46Å; M119-F151 HydrophobicContact CG-CB 4.36Å; V120-F151 PolarHBondContact N-O 3.48Å; Q149-F151 HydrophobicContact CG-CD2 4.47Å; Q149-F151 HydrophobicContact CG-CE2 3.68Å; Q149-F151 HydrophobicContact CG-CZ 4.12Å; F151-L174 HydrophobicContact CB-CD2 4.04Å; F151-L174 HydrophobicContact CD1-CD2 3.49Å; F151-L174 VanDerWaalsContact CD1-CD2 3.49Å; F151-L174 HydrophobicContact CD2-CD2 3.74Å; F151-L174 HydrophobicContact CD2-CG 4.33Å; F151-L174 HydrophobicContact CE1-CD1 4.32Å; F151-L174 HydrophobicContact CE1-CD2 3.74Å; F151-L174 HydrophobicContact CE2-CD1 4.21Å; F151-L174 HydrophobicContact CE2-CD2 3.96Å; F151-L174 HydrophobicContact CE2-CG 4.25Å; F151-L174 HydrophobicContact CG-CD2 3.47Å; F151-L174 VanDerWaalsContact CG-CD2 3.47Å; F151-L174 HydrophobicContact CZ-CD1 3.97Å; F151-L174 HydrophobicContact CZ-CD2 3.96Å; F151-L174 HydrophobicContact CZ-CG 4.38Å; F151-M178 HydrophobicContact CD2-CE 3.92Å; F151-M178 HydrophobicContact CD2-SD 3.6Å; F151-M178 HydrophobicContact CE2-CE 3.81Å; F151-M178 HydrophobicContact CE2-CG 4.19Å; F151-M178 HydrophobicContact CE2-SD 3.54Å; F151-M178 VanDerWaalsContact CE2-SD 3.54Å
152L98.6Very high92.5Very high35 Ų3564.4 Ų64.418%0.18336%0.364CS..EExtended strand (participates in β ladder)trans-126.8115.6173.4173.660.9000108.6V120 A122 I133 L136 H137 L142 L150V120-L152 HydrophobicContact CB-CD1 3.7Å; V120-L152 HydrophobicContact CG1-CD1 3.58Å; V120-L152 WeakPolarHBondContact O-CA 3.42Å; A122-L152 HydrophobicContact CB-CD1 4.14Å; I133-L152 HydrophobicContact CG2-CD2 3.51Å; I133-L152 HydrophobicContact CG2-CG 3.78Å; I133-L152 WeakPolarHBondContact O-CD2 3.12Å; L136-L152 HydrophobicContact CD2-CD1 3.66Å; L136-L152 HydrophobicContact CD2-CD2 4.32Å; H137-L152 HydrophobicContact CB-CD2 3.85Å; L142-L152 HydrophobicContact CD1-CD2 4.07Å; L150-L152 HydrophobicContact CD2-CB 4.49Å
153I98.6Very high91.6Very high26 Ų2671.4 Ų71.413%0.13340%0.397CS..EExtended strand (participates in β ladder)trans-126.4130.3-173.1-56.7175.7000109.3M119 V120 L121 A122 T155 G167 A171 L174M119-I153 HydrophobicContact CE-CD1 4.4Å; M119-I153 HydrophobicContact SD-CD1 4.3Å; V120-I153 PolarHBondContact O-N 2.86Å; L121-I153 WeakPolarHBondContact CA-O 3.36Å; L121-I153 HydrophobicContact CD2-CB 4.11Å; A122-I153 PolarHBondContact N-O 3.31Å; I153-T155 HydrophobicContact CG2-CG2 4.16Å; I153-G167 WeakPolarHBondContact CG2-O 3.49Å; I153-A171 HydrophobicContact CD1-CB 4.05Å; I153-A171 HydrophobicContact CG2-CB 4.5Å; I153-L174 HydrophobicContact CD1-CD2 4.07Å
154G98.6Very high91.1Very high25 Ų2568.1 Ų68.126%0.25837%0.372SS..EExtended strand (participates in β ladder)trans-75.4126.4171.300000110.8A122 G167A122-G154 WeakPolarHBondContact O-CA 3.5Å; G154-G167 WeakPolarHBondContact O-CA 3.27Å
155T98.3Very high90.9Very high0 Ų062.4 Ų62.40%035%0.346CS..  trans-131.3156.5179.262.70000111.2L121 A122 N123 K124 Q125 I153 V168L121-T155 HydrophobicContact CB-CG2 4.46Å; L121-T155 HydrophobicContact CD2-CG2 4.08Å; A122-T155 PolarHBondContact O-N 2.92Å; N123-T155 CarbonylContact C-O 3.52Å; N123-T155 VanDerWaalsContact CA-O 3.29Å; N123-T155 WeakPolarHBondContact CA-O 3.13Å; N123-T155 WeakPolarHBondContact CA-OG1 3.29Å; N123-T155 PolarHBondContact OD1-O 3.2Å; N123-T155 PolarHBondContact OD1-OG1 2.78Å; K124-T155 PolarHBondContact N-O 3.04Å; Q125-T155 PolarHBondContact N-O 3.38Å; Q125-T155 VanDerWaalsContact N-O 3.08Å; I153-T155 HydrophobicContact CG2-CG2 4.16Å; T155-V168 HydrophobicContact CG2-CG2 4.18Å
156Y96.7Very high90.9Very high74 Ų7466.4 Ų66.429%0.2937%0.374SS..  trans-151.6155.4163.267.5-92.1000109.8D126 R158 S165D126-Y156 HydrophobicContact CB-CD1 4.15Å; D126-Y156 HydrophobicContact CB-CD2 3.78Å; D126-Y156 HydrophobicContact CB-CE2 4.37Å; D126-Y156 HydrophobicContact CB-CG 3.66Å; D126-Y156 VanDerWaalsContact OD1-CB 3.27Å; D126-Y156 WeakPolarHBondContact OD1-CB 3.41Å; Y156-R158 HydrophobicContact CD2-CG 4.19Å; Y156-R158 HydrophobicContact CE2-CG 4.44Å; Y156-S165 VanDerWaalsContact CZ-CB 3.46Å; Y156-S165 PolarHBondContact O-OG 2.97Å
157V91.3Very high91.2Very high31 Ų3164.2 Ų64.219%0.18835%0.351CS..  trans-131.6127.3177177.40000108L31 C34 L40 V168L31-V157 HydrophobicContact CD2-CG2 3.66Å; L31-V157 HydrophobicContact CG-CG2 4.16Å; C34-V157 HydrophobicContact CB-CG2 4.45Å; C34-V157 WeakPolarHBondContact SG-CG1 3.29Å; L40-V157 HydrophobicContact CB-CG1 3.69Å; L40-V157 HydrophobicContact CD2-CG1 3.6Å; L40-V157 HydrophobicContact CG-CG1 4.24Å; V157-V168 HydrophobicContact CG2-CG2 4.33Å
158R87.9Confident91.5Very high114 Ų11455.5 Ų55.543%0.4331%0.305SS..  trans-115.6135.8171.8-71.2176.3-177.2164.3-1.1109.3D126 Y156 G160 D161D126-R158 IonicContact OD2-CZ 2.69Å; D126-R158 IonicContact OD2-NE 3.86Å; D126-R158 PolarHBondContact OD2-NE 3.28Å; D126-R158 VanDerWaalsContact OD2-NE 3.15Å; D126-R158 IonicContact OD2-NH2 2.7Å; Y156-R158 HydrophobicContact CD2-CG 4.19Å; Y156-R158 HydrophobicContact CE2-CG 4.44Å; R158-G160 PolarHBondContact O-N 2.9Å; R158-D161 HydrophobicContact CB-CB 4.28Å; R158-D161 VanDerWaalsContact CB-CG 3.49Å; R158-D161 WeakPolarHBondContact CB-OD2 3.43Å; R158-D161 WeakPolarHBondContact CD-OD2 3.39Å; R158-D161 PolarHBondContact O-N 3.3Å
159K84.9Confident91.5Very high105 Ų10557.8 Ų57.846%0.45732%0.317SS..THydrogen-bonded Turntrans-67.8131.3177.7-177.5-177.4-179.5-179.20109.7L40 E41 D43 D161L40-K159 WeakPolarHBondContact O-CA 3.33Å; E41-K159 WeakPolarHBondContact O-CE 3.46Å; D43-K159 WeakPolarHBondContact OD1-CD 3.31Å; D43-K159 IonicContact OD1-NZ 3.78Å; D43-K159 PolarHBondContact OD1-NZ 3.03Å; D43-K159 IonicContact OD2-NZ 3.81Å; D43-K159 PolarHBondContact OD2-NZ 3.12Å; K159-D161 VanDerWaalsContact C-N 3.27Å; K159-D161 PolarHBondContact O-N 3.39Å
160G80Confident91.6Very high64 Ų6458 Ų5866%0.6632%0.321SS*.THydrogen-bonded Turntrans78.83177.300000115.2L40 R158L40-G160 PolarHBondContact O-N 3.46Å; R158-G160 PolarHBondContact O-N 2.9Å
161D82.1Confident91.6Very high63 Ų6355.6 Ų55.634%0.33731%0.308SS..  trans-67.5135168.5-81.815.9000109.1R158 K159 E163R158-D161 HydrophobicContact CB-CB 4.28Å; R158-D161 VanDerWaalsContact CB-CG 3.49Å; R158-D161 WeakPolarHBondContact CB-OD2 3.43Å; R158-D161 WeakPolarHBondContact CD-OD2 3.39Å; R158-D161 PolarHBondContact O-N 3.3Å; K159-D161 VanDerWaalsContact C-N 3.27Å; K159-D161 PolarHBondContact O-N 3.39Å; D161-E163 VanDerWaalsContact C-N 3.27Å
162S73.7Confident91.5Very high114 Ų11455.3 Ų55.380%0.79731%0.305SS*.SBendtrans-78.7-11.9179.755.30000113.5
163E79.4Confident91.3Very high154 Ų15456.9 Ų56.972%0.7231%0.314SS*.SBendtrans-135.7144.2-177.6-64.9-177.7-178.300109.8D161D161-E163 VanDerWaalsContact C-N 3.27Å
164L86.1Confident91.2Very high25 Ų2557.1 Ų57.113%0.13132%0.315CS..  trans-79.1153.2174.2-56.2174000110.1C34 G38 V168C34-L164 HydrophobicContact CB-CD1 4.48Å; C34-L164 HydrophobicContact CB-CD2 3.59Å; C34-L164 VanDerWaalsContact SG-CD2 3.59Å; G38-L164 WeakPolarHBondContact O-CD2 3.41Å; G38-L164 VanDerWaalsContact O-CG 3.25Å; G38-L164 WeakPolarHBondContact O-CG 3.47Å; L164-V168 HydrophobicContact CB-CB 4.21Å; L164-V168 HydrophobicContact CB-CG1 4.22Å; L164-V168 HydrophobicContact CD1-CG1 3.85Å; L164-V168 HydrophobicContact CD2-CG1 4.33Å; L164-V168 HydrophobicContact CG-CG1 4.38Å
165S91.7Very high91.1Very high9 Ų956 Ų566%0.06330%0.303CS..  trans-61.5147168.261.80000110.4Y156 G167 V168 H169Y156-S165 VanDerWaalsContact CZ-CB 3.46Å; Y156-S165 PolarHBondContact O-OG 2.97Å; S165-G167 PolarHBondContact O-N 3.17Å; S165-G167 VanDerWaalsContact O-N 3.16Å; S165-V168 PolarHBondContact O-N 2.98Å; S165-V168 VanDerWaalsContact OG-CG2 3.26Å; S165-V168 WeakPolarHBondContact OG-CG2 3.25Å; S165-H169 PolarHBondContact O-N 3.22Å
166S94.2Very high90.9Very high88 Ų8856.3 Ų56.362%0.61531%0.305SS*.Hα-helixtrans-53.4-38.9178.556.90000111.6V168 H169 D170S166-V168 VanDerWaalsContact C-N 3.3Å; S166-V168 PolarHBondContact O-N 3.23Å; S166-H169 WeakPolarHBondContact O-CB 3.38Å; S166-H169 PolarHBondContact O-N 3.25Å; S166-H169 VanDerWaalsContact O-N 3.12Å; S166-D170 WeakPolarHBondContact O-CB 3.27Å; S166-D170 PolarHBondContact O-N 3.23Å
167G97.1Very high90.8Very high7 Ų757.7 Ų57.77%0.07231%0.314CS..Hα-helixtrans-61.5-32.7176.700000114.5I153 G154 S165 A171I153-G167 WeakPolarHBondContact CG2-O 3.49Å; G154-G167 WeakPolarHBondContact O-CA 3.27Å; S165-G167 PolarHBondContact O-N 3.17Å; S165-G167 VanDerWaalsContact O-N 3.16Å; G167-A171 WeakPolarHBondContact O-CB 3.35Å; G167-A171 PolarHBondContact O-N 3.11Å
168V96.7Very high90.8Very high0 Ų056.6 Ų56.60%031%0.306CS..Hα-helixtrans-72.6-40174.5175.60000110.4L31 C34 F35 T155 V157 L164 S165 S166 R172L31-V168 HydrophobicContact CD2-CG2 3.74Å; C34-V168 HydrophobicContact CB-CG1 4.05Å; F35-V168 HydrophobicContact CD1-CG1 3.8Å; F35-V168 HydrophobicContact CE1-CG1 3.64Å; F35-V168 WeakPolarHBondContact CE1-O 3.35Å; T155-V168 HydrophobicContact CG2-CG2 4.18Å; V157-V168 HydrophobicContact CG2-CG2 4.33Å; L164-V168 HydrophobicContact CB-CB 4.21Å; L164-V168 HydrophobicContact CB-CG1 4.22Å; L164-V168 HydrophobicContact CD1-CG1 3.85Å; L164-V168 HydrophobicContact CD2-CG1 4.33Å; L164-V168 HydrophobicContact CG-CG1 4.38Å; S165-V168 PolarHBondContact O-N 2.98Å; S165-V168 VanDerWaalsContact OG-CG2 3.26Å; S165-V168 WeakPolarHBondContact OG-CG2 3.25Å; S166-V168 VanDerWaalsContact C-N 3.3Å; S166-V168 PolarHBondContact O-N 3.23Å; V168-R172 WeakPolarHBondContact O-CB 3.37Å; V168-R172 PolarHBondContact O-N 3.18Å
169H95Very high90.9Very high82 Ų8251.2 Ų51.238%0.3829%0.286SS..Hα-helixtrans-61.7-50.1172.9-78.4-65.8000111.7S165 S166 A171 R172 D173S165-H169 PolarHBondContact O-N 3.22Å; S166-H169 WeakPolarHBondContact O-CB 3.38Å; S166-H169 PolarHBondContact O-N 3.25Å; S166-H169 VanDerWaalsContact O-N 3.12Å; H169-A171 PolarHBondContact O-N 3.19Å; H169-R172 PolarHBondContact O-N 3.26Å; H169-D173 PolarHBondContact O-N 2.82Å
170D96.9Very high91Very high92 Ų9248.5 Ų48.549%0.49228%0.28SS..Hα-helixtrans-60.1-45179.9-65.5-22.5000111.3S166 D173 L174S166-D170 WeakPolarHBondContact O-CB 3.27Å; S166-D170 PolarHBondContact O-N 3.23Å; D170-D173 PolarHBondContact O-N 2.91Å; D170-L174 VanDerWaalsContact O-CB 3.22Å; D170-L174 WeakPolarHBondContact O-CB 3.49Å; D170-L174 PolarHBondContact O-N 2.91Å
171A97.9Very high90.8Very high0 Ų050.9 Ų50.90%028%0.275CS..Hα-helixtrans-60.7-48.3176.200000111.7F35 M119 L121 I153 G167 H169 D173 L174 I175F35-A171 HydrophobicContact CE1-CB 4.32Å; F35-A171 HydrophobicContact CZ-CB 4.16Å; M119-A171 HydrophobicContact SD-CB 4.07Å; L121-A171 HydrophobicContact CD2-CB 3.73Å; I153-A171 HydrophobicContact CD1-CB 4.05Å; I153-A171 HydrophobicContact CG2-CB 4.5Å; G167-A171 WeakPolarHBondContact O-CB 3.35Å; G167-A171 PolarHBondContact O-N 3.11Å; H169-A171 PolarHBondContact O-N 3.19Å; A171-D173 PolarHBondContact O-N 2.69Å; A171-L174 PolarHBondContact O-N 2.63Å; A171-I175 WeakPolarHBondContact O-CD1 3.24Å; A171-I175 WeakPolarHBondContact O-CG1 3.48Å; A171-I175 PolarHBondContact O-N 3.14Å
172R96.1Very high90.1Very high54 Ų5452.6 Ų52.620%0.20428%0.284CS..Hα-helixtrans-58-50.7178.1-178.4179.8174.6-91.7-0.2110.8F35 V168 H169 L174 I175 F176F35-R172 HydrophobicContact CD1-CB 3.79Å; F35-R172 HydrophobicContact CD1-CG 4.29Å; F35-R172 HydrophobicContact CE1-CB 4.02Å; F35-R172 HydrophobicContact CG-CB 4.45Å; F35-R172 PolarHBondContact O-NE 3.22Å; V168-R172 WeakPolarHBondContact O-CB 3.37Å; V168-R172 PolarHBondContact O-N 3.18Å; H169-R172 PolarHBondContact O-N 3.26Å; R172-L174 VanDerWaalsContact C-N 3.33Å; R172-L174 PolarHBondContact O-N 3.26Å; R172-I175 PolarHBondContact O-N 3.13Å; R172-F176 HydrophobicContact CG-CD2 4.26Å; R172-F176 HydrophobicContact CG-CE2 4.17Å; R172-F176 WeakPolarHBondContact O-CD2 3.47Å; R172-F176 PolarHBondContact O-N 3.47Å
173D94.9Very high89.3Confident67 Ų6755.3 Ų55.336%0.35828%0.276SS..Hα-helixtrans-64-40.2-176.7-77.2-8.5000112.3K57 H169 D170 A171 F176 Q177K57-D173 IonicContact NZ-OD1 2.93Å; K57-D173 PolarHBondContact NZ-OD1 2.85Å; K57-D173 IonicContact NZ-OD2 3.91Å; H169-D173 PolarHBondContact O-N 2.82Å; D170-D173 PolarHBondContact O-N 2.91Å; A171-D173 PolarHBondContact O-N 2.69Å; D173-F176 PolarHBondContact O-N 3.45Å; D173-Q177 PolarHBondContact O-N 3.33Å
174L96.5Very high89.8Confident32 Ų3250.4 Ų50.417%0.16825%0.254CS..Hα-helixtrans-68.4-36.3177.4-173.859.6000112.4M119 F151 I153 D170 A171 R172 F176 Q177 M178M119-L174 HydrophobicContact CE-CB 3.93Å; M119-L174 HydrophobicContact CE-CD2 3.78Å; M119-L174 HydrophobicContact CE-CG 3.79Å; F151-L174 HydrophobicContact CB-CD2 4.04Å; F151-L174 HydrophobicContact CD1-CD2 3.49Å; F151-L174 VanDerWaalsContact CD1-CD2 3.49Å; F151-L174 HydrophobicContact CD2-CD2 3.74Å; F151-L174 HydrophobicContact CD2-CG 4.33Å; F151-L174 HydrophobicContact CE1-CD1 4.32Å; F151-L174 HydrophobicContact CE1-CD2 3.74Å; F151-L174 HydrophobicContact CE2-CD1 4.21Å; F151-L174 HydrophobicContact CE2-CD2 3.96Å; F151-L174 HydrophobicContact CE2-CG 4.25Å; F151-L174 HydrophobicContact CG-CD2 3.47Å; F151-L174 VanDerWaalsContact CG-CD2 3.47Å; F151-L174 HydrophobicContact CZ-CD1 3.97Å; F151-L174 HydrophobicContact CZ-CD2 3.96Å; F151-L174 HydrophobicContact CZ-CG 4.38Å; I153-L174 HydrophobicContact CD1-CD2 4.07Å; D170-L174 VanDerWaalsContact O-CB 3.22Å; D170-L174 WeakPolarHBondContact O-CB 3.49Å; D170-L174 PolarHBondContact O-N 2.91Å; A171-L174 PolarHBondContact O-N 2.63Å; R172-L174 VanDerWaalsContact C-N 3.33Å; R172-L174 PolarHBondContact O-N 3.26Å; L174-F176 VanDerWaalsContact C-N 3.35Å; L174-F176 PolarHBondContact O-N 3Å; L174-Q177 PolarHBondContact O-N 2.85Å; L174-M178 HydrophobicContact CD1-CG 4.4Å; L174-M178 HydrophobicContact CG-CG 4.42Å; L174-M178 HydrophobicContact CG-SD 4.22Å; L174-M178 VanDerWaalsContact O-CG 3.27Å; L174-M178 WeakPolarHBondContact O-CG 3.36Å; L174-M178 PolarHBondContact O-N 2.79Å
175I96Very high90Very high0 Ų051.7 Ų51.70%026%0.261CS..Hα-helixtrans-57.9-48.1173-70.7159.7000110.5V18 F35 F64 L86 V88 M119 A171 R172 Q177 M178 V179V18-I175 HydrophobicContact CG1-CG2 4.39Å; V18-I175 HydrophobicContact CG2-CG2 3.8Å; F35-I175 HydrophobicContact CE2-CD1 3.93Å; F35-I175 HydrophobicContact CZ-CD1 4.16Å; F64-I175 HydrophobicContact CE1-CD1 4.12Å; F64-I175 HydrophobicContact CE1-CG2 3.93Å; F64-I175 HydrophobicContact CZ-CG2 3.6Å; L86-I175 HydrophobicContact CD2-CB 4.24Å; L86-I175 HydrophobicContact CD2-CG1 3.81Å; L86-I175 HydrophobicContact CD2-CG2 4.06Å; V88-I175 HydrophobicContact CG2-CD1 3.91Å; V88-I175 HydrophobicContact CG2-CG1 4.2Å; M119-I175 HydrophobicContact CE-CG1 3.65Å; M119-I175 HydrophobicContact SD-CD1 3.88Å; M119-I175 HydrophobicContact SD-CG1 3.65Å; A171-I175 WeakPolarHBondContact O-CD1 3.24Å; A171-I175 WeakPolarHBondContact O-CG1 3.48Å; A171-I175 PolarHBondContact O-N 3.14Å; R172-I175 PolarHBondContact O-N 3.13Å; I175-Q177 VanDerWaalsContact C-N 3.31Å; I175-Q177 PolarHBondContact O-N 3.12Å; I175-M178 PolarHBondContact O-N 3.37Å; I175-V179 HydrophobicContact CG2-CG2 4.43Å; I175-V179 WeakPolarHBondContact O-CG2 3.4Å; I175-V179 PolarHBondContact O-N 2.8Å
176F94.3Very high89.9Confident8 Ų854.1 Ų54.14%0.03527%0.272CS..Hα-helixtrans-63.8-36.6177.6-84-85.4000112.4I55 K57 V62 R172 D173 L174 S180I55-F176 HydrophobicContact CB-CZ 4.22Å; I55-F176 HydrophobicContact CG2-CE2 4.19Å; I55-F176 HydrophobicContact CG2-CZ 3.93Å; I55-F176 WeakPolarHBondContact O-CZ 3.29Å; K57-F176 HydrophobicContact CB-CD1 3.58Å; K57-F176 HydrophobicContact CB-CD2 4.11Å; K57-F176 HydrophobicContact CB-CE1 3.38Å; K57-F176 HydrophobicContact CB-CE2 3.96Å; K57-F176 HydrophobicContact CB-CG 3.95Å; K57-F176 HydrophobicContact CB-CZ 3.59Å; K57-F176 HydrophobicContact CD-CB 4.01Å; K57-F176 HydrophobicContact CD-CD1 4.22Å; K57-F176 HydrophobicContact CD-CD2 3.88Å; K57-F176 HydrophobicContact CD-CE2 4.43Å; K57-F176 HydrophobicContact CD-CG 3.77Å; K57-F176 HydrophobicContact CG-CD1 4.47Å; K57-F176 HydrophobicContact CG-CG 4.48Å; V62-F176 HydrophobicContact CB-CE1 4Å; V62-F176 HydrophobicContact CB-CZ 4.29Å; V62-F176 HydrophobicContact CG2-CD1 3.68Å; V62-F176 HydrophobicContact CG2-CE1 3.48Å; V62-F176 VanDerWaalsContact CG2-CE1 3.48Å; V62-F176 HydrophobicContact CG2-CZ 4.23Å; R172-F176 HydrophobicContact CG-CD2 4.26Å; R172-F176 HydrophobicContact CG-CE2 4.17Å; R172-F176 WeakPolarHBondContact O-CD2 3.47Å; R172-F176 PolarHBondContact O-N 3.47Å; D173-F176 PolarHBondContact O-N 3.45Å; L174-F176 VanDerWaalsContact C-N 3.35Å; L174-F176 PolarHBondContact O-N 3Å; F176-S180 WeakPolarHBondContact O-CB 3.44Å; F176-S180 PolarHBondContact O-N 2.78Å; F176-S180 PolarHBondContact O-OG 2.8Å
177Q93.2Very high89.7Confident103 Ų10352.1 Ų52.148%0.48125%0.251SS..Hα-helixtrans-66-41.5175.1-177.6-179.1-2100112.3D173 L174 I175 S180 Q181D173-Q177 PolarHBondContact O-N 3.33Å; L174-Q177 PolarHBondContact O-N 2.85Å; I175-Q177 VanDerWaalsContact C-N 3.31Å; I175-Q177 PolarHBondContact O-N 3.12Å; Q177-S180 PolarHBondContact O-N 3.26Å; Q177-S180 PolarHBondContact O-OG 3.29Å; Q177-Q181 WeakPolarHBondContact O-CG 3.34Å; Q177-Q181 PolarHBondContact O-N 3.12Å
178M92.3Very high89.2Confident7 Ų754.9 Ų54.93%0.03426%0.263CS..Hα-helixtrans-66.8-45.5178.4-69.1174.178.400110.9L86 P117 M119 Q149 F151 L174 I175 S180 Q181L86-M178 HydrophobicContact CD1-CE 3.61Å; L86-M178 HydrophobicContact CD1-SD 4.14Å; L86-M178 HydrophobicContact CD2-CE 4.49Å; L86-M178 HydrophobicContact CD2-SD 4.08Å; P117-M178 HydrophobicContact CB-CE 3.52Å; M119-M178 HydrophobicContact CE-SD 3.99Å; Q149-M178 HydrophobicContact CG-CE 4.43Å; F151-M178 HydrophobicContact CD2-CE 3.92Å; F151-M178 HydrophobicContact CD2-SD 3.6Å; F151-M178 HydrophobicContact CE2-CE 3.81Å; F151-M178 HydrophobicContact CE2-CG 4.19Å; F151-M178 HydrophobicContact CE2-SD 3.54Å; F151-M178 VanDerWaalsContact CE2-SD 3.54Å; L174-M178 HydrophobicContact CD1-CG 4.4Å; L174-M178 HydrophobicContact CG-CG 4.42Å; L174-M178 HydrophobicContact CG-SD 4.22Å; L174-M178 VanDerWaalsContact O-CG 3.27Å; L174-M178 WeakPolarHBondContact O-CG 3.36Å; L174-M178 PolarHBondContact O-N 2.79Å; I175-M178 PolarHBondContact O-N 3.37Å; M178-S180 VanDerWaalsContact C-N 3.27Å; M178-S180 PolarHBondContact O-N 3.05Å; M178-Q181 PolarHBondContact O-N 3.26Å
179V90.1Very high88.7Confident1 Ų158.5 Ų58.51%0.00628%0.28CS..Hα-helixtrans-67.2-27.7179.6174.60000112.3V18 V62 L85 I175V18-V179 HydrophobicContact CG2-CG2 3.69Å; V62-V179 HydrophobicContact CG1-CG1 4.35Å; V62-V179 HydrophobicContact CG1-CG2 4.26Å; V62-V179 HydrophobicContact CG2-CB 4.32Å; V62-V179 HydrophobicContact CG2-CG1 3.83Å; L85-V179 HydrophobicContact CD1-CG1 3.93Å; I175-V179 HydrophobicContact CG2-CG2 4.43Å; I175-V179 WeakPolarHBondContact O-CG2 3.4Å; I175-V179 PolarHBondContact O-N 2.8Å
180S85.9Confident88.3Confident48 Ų4856.9 Ų56.934%0.33627%0.273SS..Hα-helixtrans-77-25.9176.869.90000114F176 Q177 M178 D182F176-S180 WeakPolarHBondContact O-CB 3.44Å; F176-S180 PolarHBondContact O-N 2.78Å; F176-S180 PolarHBondContact O-OG 2.8Å; Q177-S180 PolarHBondContact O-N 3.26Å; Q177-S180 PolarHBondContact O-OG 3.29Å; M178-S180 VanDerWaalsContact C-N 3.27Å; M178-S180 PolarHBondContact O-N 3.05Å; S180-D182 VanDerWaalsContact C-N 3.35Å
181Q75.8Confident87.6Confident115 Ų11554.2 Ų54.254%0.53726%0.256SS..Hα-helixtrans-75.8-24.1178.1-72.5176.6-0.600113.1Q177 M178Q177-Q181 WeakPolarHBondContact O-CG 3.34Å; Q177-Q181 PolarHBondContact O-N 3.12Å; M178-Q181 PolarHBondContact O-N 3.26Å
182D67.5Low86.8Confident99 Ų9958.7 Ų58.753%0.52928%0.278SS..THydrogen-bonded Turntrans-91.51.9179.1-80.3-23.7000113.7S180S180-D182 VanDerWaalsContact C-N 3.35Å
183R58.4Low85.9Confident170 Ų17059.1 Ų59.164%0.64228%0.284SS*.  trans-98.90172.7-72-173.6-178-174.42.2111.5D61D61-R183 PolarHBondContact O-NH2 3.48Å

Retrieved 183 of 183 residues in 52.7 ms (Link to these results)

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