A0A096MFK5_POEFO Loading...

Polycomb group ring finger 5a

Component of Polycomb group (PcG) multiprotein complexes; the complex class is required to maintain the transcriptionally repressive state of some genes.

AlphaFold DB (A0A3B3UUE8), UniProt , Accession A0A096MFK5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 240 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
1M42Very low69.9Low245 Ų245133.8 Ų133.8100%1.20773%0.729SS**  0105.50-70.4-177.8177.100107.5A3M1-A3 PolarHBondContact O-N 3.26Å
2A45.1Very low71.7Confident96 Ų96129.3 Ų129.379%0.79370%0.704SS**  trans-72115.7178.700000108.6T4A2-T4 PolarHBondContact O-N 3.18Å
3A51.9Low73.3Confident102 Ų102124.5 Ų124.584%0.84367%0.673SS**  trans-60.9103.317100000107.9M1 G5M1-A3 PolarHBondContact O-N 3.26Å; A3-G5 PolarHBondContact O-N 3.12Å
4T56.3Low74.7Confident138 Ų138119.4 Ų119.485%0.84764%0.644SS**  trans-7286.7173.61.70000106.6A2 R6A2-T4 PolarHBondContact O-N 3.18Å; T4-R6 PolarHBondContact O-N 2.9Å; T4-R6 VanDerWaalsContact O-N 3.12Å
5G63.6Low75.8Confident64 Ų64121.5 Ų121.566%0.6665%0.648SS**  trans-57.9116.6175.700000109.4A3 K7A3-G5 PolarHBondContact O-N 3.12Å; G5-K7 PolarHBondContact O-N 2.94Å
6R76.8Confident76.9Confident221 Ų221122.8 Ų122.883%0.83465%0.647SS**  trans-60.6118.5171.7-76.7-179.6176.8141.8-1.3107.9T4 H8T4-R6 PolarHBondContact O-N 2.9Å; T4-R6 VanDerWaalsContact O-N 3.12Å; R6-H8 PolarHBondContact O-N 3.3Å
7K79.4Confident78Confident202 Ų202115.7 Ų115.788%0.87861%0.609SS**  trans-82.3113.2172.4-64.7-176.4-179.7-177.80107.6G5G5-K7 PolarHBondContact O-N 2.94Å
8H85.3Confident79.1Confident121 Ų121112.2 Ų112.256%0.5659%0.593SS**  trans-88.8140.3171-67.4-77.6000109.5R6 F13R6-H8 PolarHBondContact O-N 3.3Å; H8-F13 HydrophobicContact CB-CE2 3.65Å; H8-F13 HydrophobicContact CB-CZ 3.84Å
9L89.6Confident80.1Confident95 Ų95106.4 Ų106.450%0.49756%0.563SS.*  trans-90149174.6-65.5171.9000108.8K11 D12L9-K11 HydrophobicContact CB-CD 4.32Å; L9-K11 HydrophobicContact CB-CG 3.87Å; L9-K11 HydrophobicContact CD1-CD 4.2Å; L9-K11 VanDerWaalsContact CD1-CE 3.42Å; L9-K11 PolarHBondContact O-N 3.21Å; L9-K11 VanDerWaalsContact O-N 3.13Å; L9-D12 PolarHBondContact N-OD2 3.41Å; L9-D12 VanDerWaalsContact O-CB 3.25Å; L9-D12 WeakPolarHBondContact O-CB 3.5Å; L9-D12 PolarHBondContact O-N 2.83Å
10V88.7Confident80.8Confident50 Ų50108.2 Ų108.230%0.30356%0.562SS.*G310 helixtrans-53.4-38.1178179.10000111.6D12 F13 N14 I17 L83 V84V10-D12 PolarHBondContact O-N 2.81Å; V10-D12 VanDerWaalsContact O-N 3.08Å; V10-F13 PolarHBondContact O-N 3.05Å; V10-N14 PolarHBondContact O-N 3.45Å; V10-N14 PolarHBondContact O-OD1 2.88Å; V10-I17 HydrophobicContact CG1-CD1 4.38Å; V10-L83 VanDerWaalsContact CG2-O 3.32Å; V10-L83 WeakPolarHBondContact CG2-O 3.31Å; V10-V84 HydrophobicContact CG1-CG2 3.94Å
11K89.9Confident81.6Confident138 Ų138106 Ų10660%0.655%0.551SS**G310 helixtrans-56.2-27.417874.4-175-172.8-176.40113.9L9 F13 N14L9-K11 HydrophobicContact CB-CD 4.32Å; L9-K11 HydrophobicContact CB-CG 3.87Å; L9-K11 HydrophobicContact CD1-CD 4.2Å; L9-K11 VanDerWaalsContact CD1-CE 3.42Å; L9-K11 PolarHBondContact O-N 3.21Å; L9-K11 VanDerWaalsContact O-N 3.13Å; K11-F13 PolarHBondContact O-N 3.42Å; K11-N14 WeakPolarHBondContact O-CB 3.35Å; K11-N14 PolarHBondContact O-N 3.4Å
12D91.6Very high84.1Confident80 Ų8097.5 Ų97.543%0.42852%0.515SS..G310 helixtrans-69.1-21.9-179.5-54.3-24.5000110.8L9 V10L9-D12 PolarHBondContact N-OD2 3.41Å; L9-D12 VanDerWaalsContact O-CB 3.25Å; L9-D12 WeakPolarHBondContact O-CB 3.5Å; L9-D12 PolarHBondContact O-N 2.83Å; V10-D12 PolarHBondContact O-N 2.81Å; V10-D12 VanDerWaalsContact O-N 3.08Å
13F92.4Very high86.5Confident67 Ų67103.5 Ų103.529%0.29452%0.518SS..G310 helixtrans-99.3-8.3179.1-57.3-79.4000113.6H8 V10 K11 H15 F16 I17 L83H8-F13 HydrophobicContact CB-CE2 3.65Å; H8-F13 HydrophobicContact CB-CZ 3.84Å; V10-F13 PolarHBondContact O-N 3.05Å; K11-F13 PolarHBondContact O-N 3.42Å; F13-H15 PolarHBondContact O-N 3.11Å; F13-F16 PolarHBondContact O-N 3.27Å; F13-I17 HydrophobicContact CB-CD1 4.37Å; F13-I17 WeakPolarHBondContact O-CG1 3.46Å; F13-I17 PolarHBondContact O-N 3.48Å; F13-L83 HydrophobicContact CB-CD1 4.4Å; F13-L83 HydrophobicContact CG-CD1 4.34Å
14N92.8Very high88.6Confident52 Ų52100.1 Ų100.128%0.27849%0.493SS..Hα-helixtrans-51.7-35.2-172.8-80.12.9000113.5V10 K11 F16 I17 T18V10-N14 PolarHBondContact O-N 3.45Å; V10-N14 PolarHBondContact O-OD1 2.88Å; K11-N14 WeakPolarHBondContact O-CB 3.35Å; K11-N14 PolarHBondContact O-N 3.4Å; N14-F16 PolarHBondContact O-N 3.12Å; N14-I17 PolarHBondContact O-N 2.83Å; N14-T18 HydrophobicContact CB-CG2 4.16Å; N14-T18 WeakPolarHBondContact O-CB 3.31Å; N14-T18 VanDerWaalsContact O-CG2 3.26Å; N14-T18 WeakPolarHBondContact O-CG2 3.45Å; N14-T18 PolarHBondContact O-N 3.15Å; N14-T18 VanDerWaalsContact O-N 3.11Å; N14-T18 PolarHBondContact O-OG1 2.65Å
15H92.1Very high90.5Very high151 Ų15197.2 Ų97.270%0.69947%0.467SS*.Hα-helixtrans-59.9-26.8177.6-175.469.5000113.9F13F13-H15 PolarHBondContact O-N 3.11Å
16F93.4Very high92.1Very high142 Ų14294.3 Ų94.362%0.62344%0.436SS*.Hα-helixtrans-96.6-18.7-178.9-55.5-70.2000113.6F13 N14F13-F16 PolarHBondContact O-N 3.27Å; N14-F16 PolarHBondContact O-N 3.12Å
17I95.6Very high93Very high3 Ų385.1 Ų85.12%0.01540%0.403CS..Hα-helixtrans-119.65.3-169.666.2171.6000113.9V10 F13 N14 Y25 L26 I80 L83 V84V10-I17 HydrophobicContact CG1-CD1 4.38Å; F13-I17 HydrophobicContact CB-CD1 4.37Å; F13-I17 WeakPolarHBondContact O-CG1 3.46Å; F13-I17 PolarHBondContact O-N 3.48Å; N14-I17 PolarHBondContact O-N 2.83Å; I17-Y25 HydrophobicContact CD1-CD1 3.81Å; I17-Y25 HydrophobicContact CD1-CE1 3.74Å; I17-Y25 HydrophobicContact CG1-CD1 3.94Å; I17-Y25 HydrophobicContact CG1-CE1 4.14Å; I17-Y25 CarbonylContact O-C 3.6Å; I17-Y25 WeakPolarHBondContact O-CA 3.47Å; I17-L26 PolarHBondContact O-N 3.5Å; I17-I80 HydrophobicContact CB-CD1 4.05Å; I17-I80 HydrophobicContact CB-CG1 3.8Å; I17-I80 HydrophobicContact CG2-CD1 4.21Å; I17-I80 HydrophobicContact CG2-CG1 3.62Å; I17-L83 HydrophobicContact CG2-CD1 4.42Å; I17-V84 HydrophobicContact CD1-CG2 3.85Å
18T96.8Very high93.6Very high52 Ų5278.8 Ų78.832%0.31938%0.376SS..BIsolated β-bridgetrans-109142.8179.357.30000112.1N14 G24 Y25N14-T18 HydrophobicContact CB-CG2 4.16Å; N14-T18 WeakPolarHBondContact O-CB 3.31Å; N14-T18 VanDerWaalsContact O-CG2 3.26Å; N14-T18 WeakPolarHBondContact O-CG2 3.45Å; N14-T18 PolarHBondContact O-N 3.15Å; N14-T18 VanDerWaalsContact O-N 3.11Å; N14-T18 PolarHBondContact O-OG1 2.65Å; T18-G24 CarbonylContact C-O 3.51Å; T18-G24 VanDerWaalsContact CA-O 3.24Å; T18-G24 WeakPolarHBondContact CA-O 3.34Å; T18-G24 WeakPolarHBondContact CB-O 3.5Å; T18-Y25 HydrophobicContact CG2-CD1 4.06Å; T18-Y25 HydrophobicContact CG2-CE1 4.29Å
19C97.8Very high94.2Very high2 Ų273.1 Ų73.11%0.01435%0.349CS..  trans-81.1132.1179.8-175.50000110.9L21 C22 R23 G24 L26 C40C19-L21 VanDerWaalsContact C-N 3.31Å; C19-L21 PolarHBondContact O-N 2.84Å; C19-C22 WeakPolarHBondContact CB-SG 3.46Å; C19-R23 WeakPolarHBondContact O-CA 3.26Å; C19-R23 PolarHBondContact O-N 3.01Å; C19-G24 PolarHBondContact N-O 3.31Å; C19-L26 HydrophobicContact CB-CD2 3.73Å; C19-L26 HydrophobicContact CB-CG 4.48Å; C19-C40 VanDerWaalsContact CB-SG 3.55Å; C19-C40 PolarHBondContact SG-N 3.19Å; C19-C40 VanDerWaalsContact SG-N 3.45Å
20Y95.9Very high94.5Very high142 Ų14268.8 Ų68.856%0.55733%0.327SS*.THydrogen-bonded Turntrans-64.2-33.7176.8-177.6-99.2000113.2F39 P55 K56Y20-F39 HydrophobicContact CD1-CE1 4.42Å; Y20-P55 HydrophobicContact CD1-CB 4.4Å; Y20-P55 VanDerWaalsContact CE1-O 3.31Å; Y20-P55 WeakPolarHBondContact CE1-O 3.34Å; Y20-K56 HydrophobicContact CD1-CB 4.44Å
21L96.2Very high94.8Very high63 Ų6367.3 Ų67.333%0.3332%0.318SS..THydrogen-bonded Turntrans-78-56.5-176.2-72.1171.2000112.5C19 F39 C43 H47 P55C19-L21 VanDerWaalsContact C-N 3.31Å; C19-L21 PolarHBondContact O-N 2.84Å; L21-F39 HydrophobicContact CD1-CD1 4.09Å; L21-F39 HydrophobicContact CG-CD1 4.1Å; L21-F39 HydrophobicContact CG-CE1 4.48Å; L21-C43 HydrophobicContact CB-CB 3.89Å; L21-C43 HydrophobicContact CD1-CB 3.57Å; L21-C43 WeakPolarHBondContact CD1-O 3.21Å; L21-C43 HydrophobicContact CG-CB 4.38Å; L21-H47 HydrophobicContact CD1-CB 4.33Å; L21-P55 HydrophobicContact CD1-CG 4Å; L21-P55 HydrophobicContact CD2-CB 3.72Å; L21-P55 HydrophobicContact CD2-CG 4Å; L21-P55 HydrophobicContact CG-CB 4.23Å; L21-P55 HydrophobicContact CG-CG 4.24Å
22C95.9Very high95.1Very high67 Ų6760.7 Ų60.745%0.45329%0.289SS..THydrogen-bonded Turntrans-92.2-8.9-176.269.90000114.2C19 G24C19-C22 WeakPolarHBondContact CB-SG 3.46Å; C22-G24 PolarHBondContact O-N 3.38Å
23R95.4Very high95.2Very high222 Ų22259.3 Ų59.384%0.83828%0.283SS*.SBendtrans59.110.2-176.1-52.7-178.2179.9177.90.1115.1C19C19-R23 WeakPolarHBondContact O-CA 3.26Å; C19-R23 PolarHBondContact O-N 3.01Å
24G95.3Very high95.3Very high31 Ų3161.7 Ų61.732%0.3230%0.296SS..SBendtrans-91.6-179.4171.100000112.5T18 C19 C22T18-G24 CarbonylContact C-O 3.51Å; T18-G24 VanDerWaalsContact CA-O 3.24Å; T18-G24 WeakPolarHBondContact CA-O 3.34Å; T18-G24 WeakPolarHBondContact CB-O 3.5Å; C19-G24 PolarHBondContact N-O 3.31Å; C22-G24 PolarHBondContact O-N 3.38Å
25Y96.7Very high95.4Very high77 Ų7760.3 Ų60.330%0.30229%0.29SS..BIsolated β-bridgetrans-64.8147.5169.2-63-62.9000110.7I17 T18 I27 V84 L87I17-Y25 HydrophobicContact CD1-CD1 3.81Å; I17-Y25 HydrophobicContact CD1-CE1 3.74Å; I17-Y25 HydrophobicContact CG1-CD1 3.94Å; I17-Y25 HydrophobicContact CG1-CE1 4.14Å; I17-Y25 CarbonylContact O-C 3.6Å; I17-Y25 WeakPolarHBondContact O-CA 3.47Å; T18-Y25 HydrophobicContact CG2-CD1 4.06Å; T18-Y25 HydrophobicContact CG2-CE1 4.29Å; Y25-I27 PolarHBondContact O-N 3.32Å; Y25-V84 HydrophobicContact CD1-CG2 4.13Å; Y25-V84 HydrophobicContact CD2-CG1 4.1Å; Y25-V84 HydrophobicContact CE1-CG2 4.01Å; Y25-V84 HydrophobicContact CE2-CG1 3.78Å; Y25-V84 HydrophobicContact CE2-CG2 4.43Å; Y25-V84 HydrophobicContact CG-CG2 4.41Å; Y25-L87 HydrophobicContact CD2-CD1 4.15Å; Y25-L87 HydrophobicContact CD2-CD2 4.26Å; Y25-L87 HydrophobicContact CG-CD2 4.2Å
26L97.1Very high95.6Very high3 Ų359.3 Ų59.32%0.01629%0.289CS..  trans-67.7121179.6-63.5159.3000110.2I17 C19 P29 T38 F39 L76 I80I17-L26 PolarHBondContact O-N 3.5Å; C19-L26 HydrophobicContact CB-CD2 3.73Å; C19-L26 HydrophobicContact CB-CG 4.48Å; L26-P29 HydrophobicContact CB-CB 4.02Å; L26-P29 HydrophobicContact CD1-CB 4.37Å; L26-T38 HydrophobicContact CD1-CG2 4.14Å; L26-T38 HydrophobicContact CD2-CG2 4.44Å; L26-F39 VanDerWaalsContact CD2-CA 3.48Å; L26-L76 HydrophobicContact CD1-CD2 4.03Å; L26-I80 HydrophobicContact CB-CD1 3.68Å; L26-I80 HydrophobicContact CD1-CD1 4.06Å; L26-I80 HydrophobicContact CG-CD1 4.41Å
27I95.6Very high95.8Very high27 Ų2754.3 Ų54.314%0.13827%0.268CS..SBendtrans-109.2127172.7-54.9-51000108.3Y25 C40 K41 F81 L87 E91Y25-I27 PolarHBondContact O-N 3.32Å; I27-C40 PolarHBondContact N-SG 3.4Å; I27-C40 VanDerWaalsContact N-SG 3.38Å; I27-C40 VanDerWaalsContact O-CA 3.31Å; I27-C40 WeakPolarHBondContact O-CA 3.27Å; I27-C40 WeakPolarHBondContact O-CB 3.43Å; I27-K41 PolarHBondContact O-N 3.45Å; I27-F81 HydrophobicContact CD1-CE1 4.44Å; I27-L87 HydrophobicContact CD1-CD1 4.19Å; I27-L87 HydrophobicContact CD1-CD2 4.14Å; I27-L87 HydrophobicContact CD1-CG 4.19Å; I27-E91 HydrophobicContact CD1-CG 3.56Å; I27-E91 HydrophobicContact CG1-CG 4.08Å; I27-E91 HydrophobicContact CG2-CG 4.26Å; I27-E91 WeakPolarHBondContact CG2-OE2 3.25Å
28K92.6Very high95.9Very high70 Ų7055.9 Ų55.930%0.30428%0.277SS..SBendtrans48.758-169.7-64.4166.5-175.5157.60109.7T30 K41 L72 E77 E95K28-T30 PolarHBondContact O-N 2.94Å; K28-T30 VanDerWaalsContact O-N 3.14Å; K28-T30 PolarHBondContact O-OG1 3.08Å; K28-K41 HydrophobicContact CB-CB 3.71Å; K28-K41 HydrophobicContact CB-CD 4.3Å; K28-K41 HydrophobicContact CD-CD 4.36Å; K28-K41 WeakPolarHBondContact O-CB 3.43Å; K28-K41 PolarHBondContact O-N 2.95Å; K28-L72 HydrophobicContact CB-CD2 4.22Å; K28-E77 WeakPolarHBondContact CA-OE2 3.45Å; K28-E77 WeakPolarHBondContact CG-OE2 3.23Å; K28-E77 PolarHBondContact N-OE2 2.94Å; K28-E95 IonicContact NZ-OE1 3.14Å; K28-E95 PolarHBondContact NZ-OE1 3.38Å
29P96.5Very high95.9Very high1 Ų153.4 Ų53.41%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-48.6123.6-17918.6-31.3000110.2L26 T38 F39 D73 L76 E77L26-P29 HydrophobicContact CB-CB 4.02Å; L26-P29 HydrophobicContact CD1-CB 4.37Å; P29-T38 HydrophobicContact CB-CG2 3.62Å; P29-F39 CarbonylContact C-O 3.56Å; P29-F39 WeakPolarHBondContact CA-O 3.42Å; P29-D73 WeakPolarHBondContact CG-O 3.38Å; P29-D73 PolarHBondContact O-N 2.88Å; P29-L76 HydrophobicContact CB-CD2 3.92Å; P29-L76 HydrophobicContact CB-CG 4.28Å; P29-L76 HydrophobicContact CG-CB 4.22Å; P29-L76 HydrophobicContact CG-CD2 4.43Å; P29-L76 HydrophobicContact CG-CG 4.25Å; P29-E77 HydrophobicContact CG-CB 3.74Å
30T95.4Very high95.9Very high4 Ų453.5 Ų53.53%0.02526%0.263CS..EExtended strand (participates in β ladder)trans-124.1117.8-176.1-55.70000107.9K28 T38 F39 K41 I44 L70 R71 L72K28-T30 PolarHBondContact O-N 2.94Å; K28-T30 VanDerWaalsContact O-N 3.14Å; K28-T30 PolarHBondContact O-OG1 3.08Å; T30-T38 WeakPolarHBondContact O-CA 3.49Å; T30-F39 PolarHBondContact N-O 3.42Å; T30-F39 PolarHBondContact O-N 2.92Å; T30-K41 VanDerWaalsContact OG1-CA 3.25Å; T30-K41 WeakPolarHBondContact OG1-CA 3.46Å; T30-K41 WeakPolarHBondContact OG1-CB 3.17Å; T30-I44 HydrophobicContact CG2-CG2 4.09Å; T30-L70 HydrophobicContact CG2-CB 3.74Å; T30-L70 HydrophobicContact CG2-CD1 4.16Å; T30-L70 HydrophobicContact CG2-CD2 4.02Å; T30-L70 HydrophobicContact CG2-CG 4.19Å; T30-R71 CarbonylContact C-O 3.51Å; T30-R71 WeakPolarHBondContact CA-O 3.47Å; T30-L72 VanDerWaalsContact OG1-CD2 3.27Å; T30-L72 WeakPolarHBondContact OG1-CD2 3.5Å
31T96.4Very high95.8Very high19 Ų1949.4 Ų49.412%0.11725%0.248CC..EExtended strand (participates in β ladder)trans-98.8133.9-176.6-58.60000110.3L36 H37 T38 R71T31-L36 HydrophobicContact CG2-CD2 4.44Å; T31-H37 WeakPolarHBondContact CA-O 3.43Å; T31-T38 WeakPolarHBondContact OG1-CG2 3.24Å; T31-T38 PolarHBondContact OG1-OG1 3.01Å; T31-R71 PolarHBondContact N-O 2.93Å; T31-R71 PolarHBondContact O-N 3.3Å
32V96.1Very high95.7Very high0 Ų050.4 Ų50.40%026%0.26CS..EExtended strand (participates in β ladder)trans-78.1122.7169.7179.50000108.9E34 L36 H37 F39 I44 F48 V61 L70V32-E34 VanDerWaalsContact C-N 3.33Å; V32-E34 HydrophobicContact CG1-CB 4.36Å; V32-E34 PolarHBondContact O-N 2.87Å; V32-L36 WeakPolarHBondContact O-CA 3.44Å; V32-L36 PolarHBondContact O-N 3.18Å; V32-H37 PolarHBondContact N-O 3.13Å; V32-F39 HydrophobicContact CG2-CD2 4.46Å; V32-F39 HydrophobicContact CG2-CE2 4.18Å; V32-I44 HydrophobicContact CG2-CG1 4.48Å; V32-F48 HydrophobicContact CG2-CZ 4.35Å; V32-V61 HydrophobicContact CG1-CB 4.19Å; V32-V61 HydrophobicContact CG1-CG1 3.5Å; V32-V61 HydrophobicContact CG1-CG2 3.66Å; V32-L70 HydrophobicContact CG2-CD2 3.75Å
33T94.3Very high95.7Very high50 Ų5048.2 Ų48.231%0.30725%0.245SC..THydrogen-bonded Turntrans-65.6-34.5-175.350.90000113.3M69 R71T33-M69 PolarHBondContact N-O 2.91Å; T33-M69 WeakPolarHBondContact OG1-CB 3.49Å; T33-M69 PolarHBondContact OG1-O 3.14Å; T33-R71 HydrophobicContact CG2-CG 3.63Å
34E93.6Very high95.6Very high117 Ų11737.6 Ų37.655%0.54721%0.205SC..THydrogen-bonded Turntrans-69.2-34.5-176.2-62.4-50.7110.800113.8V32 V61 M69V32-E34 VanDerWaalsContact C-N 3.33Å; V32-E34 HydrophobicContact CG1-CB 4.36Å; V32-E34 PolarHBondContact O-N 2.87Å; E34-V61 WeakPolarHBondContact CG-O 3.44Å; E34-M69 HydrophobicContact CG-CG 4.44Å
35C95.5Very high95.5Very high23 Ų2338.2 Ų38.216%0.15520%0.203CC..THydrogen-bonded Turntrans-126.20-174.167.30000114.4H37 C54 I59C35-H37 PolarHBondContact O-N 3.19Å; C35-H37 VanDerWaalsContact O-N 3.12Å; C35-H37 PolarHBondContact SG-ND1 3.48Å; C35-C54 PolarHBondContact SG-SG 3.38Å; C35-I59 HydrophobicContact CB-CD1 4.38Å
36L96Very high95.2Very high130 Ų13040.7 Ų40.768%0.68122%0.217SC*.  trans55.126.7179-54.8-179.9000114.5T31 V32T31-L36 HydrophobicContact CG2-CD2 4.44Å; V32-L36 WeakPolarHBondContact O-CA 3.44Å; V32-L36 PolarHBondContact O-N 3.18Å
37H96.9Very high95Very high38 Ų3842.9 Ų42.918%0.17623%0.227CC..  trans-88.7134.1172.6-69.3133.6000111.3T31 V32 C35 F39 K56 C57T31-H37 WeakPolarHBondContact CA-O 3.43Å; V32-H37 PolarHBondContact N-O 3.13Å; C35-H37 PolarHBondContact O-N 3.19Å; C35-H37 VanDerWaalsContact O-N 3.12Å; C35-H37 PolarHBondContact SG-ND1 3.48Å; H37-F39 HydrophobicContact CB-CE2 3.65Å; H37-F39 HydrophobicContact CB-CZ 3.88Å; H37-K56 HydrophobicContact CB-CD 4.46Å; H37-K56 VanDerWaalsContact CD2-CD 3.46Å; H37-K56 WeakPolarHBondContact CD2-CD 3.38Å; H37-K56 PolarHBondContact CD2-NZ 3.14Å; H37-K56 PolarHBondContact NE2-NZ 3.03Å; H37-K56 VanDerWaalsContact NE2-NZ 3.18Å; H37-C57 PolarHBondContact ND1-SG 3.17Å; H37-C57 VanDerWaalsContact ND1-SG 3.42Å
38T97.5Very high94.8Very high36 Ų3642.4 Ų42.422%0.22122%0.224CC..EExtended strand (participates in β ladder)trans-110.1137-175.9-46.50000111.6L26 P29 T30 T31 L76L26-T38 HydrophobicContact CD1-CG2 4.14Å; L26-T38 HydrophobicContact CD2-CG2 4.44Å; P29-T38 HydrophobicContact CB-CG2 3.62Å; T30-T38 WeakPolarHBondContact O-CA 3.49Å; T31-T38 WeakPolarHBondContact OG1-CG2 3.24Å; T31-T38 PolarHBondContact OG1-OG1 3.01Å; T38-L76 HydrophobicContact CG2-CD2 3.91Å
39F97.9Very high94.6Very high0 Ų046.3 Ų46.30%024%0.243CC..EExtended strand (participates in β ladder)trans-138.4170-179.1-53.5-89.5000109.8Y20 L21 L26 P29 T30 V32 H37 I44 P55 K56Y20-F39 HydrophobicContact CD1-CE1 4.42Å; L21-F39 HydrophobicContact CD1-CD1 4.09Å; L21-F39 HydrophobicContact CG-CD1 4.1Å; L21-F39 HydrophobicContact CG-CE1 4.48Å; L26-F39 VanDerWaalsContact CD2-CA 3.48Å; P29-F39 CarbonylContact C-O 3.56Å; P29-F39 WeakPolarHBondContact CA-O 3.42Å; T30-F39 PolarHBondContact N-O 3.42Å; T30-F39 PolarHBondContact O-N 2.92Å; V32-F39 HydrophobicContact CG2-CD2 4.46Å; V32-F39 HydrophobicContact CG2-CE2 4.18Å; H37-F39 HydrophobicContact CB-CE2 3.65Å; H37-F39 HydrophobicContact CB-CZ 3.88Å; F39-I44 HydrophobicContact CB-CB 3.91Å; F39-I44 HydrophobicContact CB-CG2 4.43Å; F39-I44 HydrophobicContact CD2-CB 4.28Å; F39-I44 HydrophobicContact CD2-CD1 3.82Å; F39-I44 HydrophobicContact CD2-CG1 4.08Å; F39-I44 HydrophobicContact CE2-CD1 4.06Å; F39-I44 HydrophobicContact CG-CB 4.3Å; F39-I44 HydrophobicContact CG-CD1 4.27Å; F39-P55 HydrophobicContact CE1-CB 4.12Å; F39-P55 HydrophobicContact CE1-CG 4.09Å; F39-P55 HydrophobicContact CZ-CB 4.34Å; F39-P55 HydrophobicContact CZ-CG 4.13Å; F39-K56 HydrophobicContact CE1-CB 4.19Å; F39-K56 HydrophobicContact CZ-CB 3.84Å
40C97.6Very high94.3Very high4 Ų454.9 Ų54.93%0.02728%0.283CS..EExtended strand (participates in β ladder)trans-65.3144.5166.6-54.20000109.8C19 I27 S42 C43 I44C19-C40 VanDerWaalsContact CB-SG 3.55Å; C19-C40 PolarHBondContact SG-N 3.19Å; C19-C40 VanDerWaalsContact SG-N 3.45Å; I27-C40 PolarHBondContact N-SG 3.4Å; I27-C40 VanDerWaalsContact N-SG 3.38Å; I27-C40 VanDerWaalsContact O-CA 3.31Å; I27-C40 WeakPolarHBondContact O-CA 3.27Å; I27-C40 WeakPolarHBondContact O-CB 3.43Å; C40-S42 VanDerWaalsContact C-N 3.34Å; C40-S42 PolarHBondContact O-N 3.45Å; C40-C43 HydrophobicContact CB-CB 4.15Å; C40-C43 PolarHBondContact O-N 3.21Å; C40-C43 VanDerWaalsContact O-N 3.15Å; C40-I44 PolarHBondContact O-N 2.95Å; C40-I44 VanDerWaalsContact O-N 3.07Å
41K94.2Very high94.2Very high56 Ų5656.4 Ų56.424%0.24329%0.294CS..Hα-helixtrans-51.9-50.5178.2-175.2-178.6-172.7171.50112.5I27 K28 T30 C43 V45 L72I27-K41 PolarHBondContact O-N 3.45Å; K28-K41 HydrophobicContact CB-CB 3.71Å; K28-K41 HydrophobicContact CB-CD 4.3Å; K28-K41 HydrophobicContact CD-CD 4.36Å; K28-K41 WeakPolarHBondContact O-CB 3.43Å; K28-K41 PolarHBondContact O-N 2.95Å; T30-K41 VanDerWaalsContact OG1-CA 3.25Å; T30-K41 WeakPolarHBondContact OG1-CA 3.46Å; T30-K41 WeakPolarHBondContact OG1-CB 3.17Å; K41-C43 PolarHBondContact O-N 2.91Å; K41-V45 HydrophobicContact CG-CG2 4.41Å; K41-V45 VanDerWaalsContact O-CB 3.31Å; K41-V45 WeakPolarHBondContact O-CB 3.32Å; K41-V45 WeakPolarHBondContact O-CG2 3.37Å; K41-V45 PolarHBondContact O-N 2.76Å; K41-V45 VanDerWaalsContact O-N 3.12Å; K41-L72 HydrophobicContact CB-CD2 4.45Å; K41-L72 HydrophobicContact CD-CD2 4.16Å; K41-L72 HydrophobicContact CG-CD2 4.46Å
42S93.1Very high94Very high83 Ų8357.7 Ų57.758%0.5830%0.3SS*.Hα-helixtrans-61.4-43.7-179.649.10000111.8C40 Q46C40-S42 VanDerWaalsContact C-N 3.34Å; C40-S42 PolarHBondContact O-N 3.45Å; S42-Q46 VanDerWaalsContact O-CB 3.23Å; S42-Q46 WeakPolarHBondContact O-CB 3.34Å; S42-Q46 PolarHBondContact O-N 2.98Å
43C95.5Very high94Very high21 Ų2160.8 Ų60.814%0.14232%0.316CS..Hα-helixtrans-64.5-47.9-177.6-60.10000112.7L21 C40 K41 H47L21-C43 HydrophobicContact CB-CB 3.89Å; L21-C43 HydrophobicContact CD1-CB 3.57Å; L21-C43 WeakPolarHBondContact CD1-O 3.21Å; L21-C43 HydrophobicContact CG-CB 4.38Å; C40-C43 HydrophobicContact CB-CB 4.15Å; C40-C43 PolarHBondContact O-N 3.21Å; C40-C43 VanDerWaalsContact O-N 3.15Å; K41-C43 PolarHBondContact O-N 2.91Å; C43-H47 PolarHBondContact O-N 2.81Å
44I94.8Very high94.1Very high0 Ų058.5 Ų58.50%030%0.302CS..Hα-helixtrans-73-36.3-177.5-16859.6000112.2T30 V32 F39 C40 Q46 H47 F48 P55 L70T30-I44 HydrophobicContact CG2-CG2 4.09Å; V32-I44 HydrophobicContact CG2-CG1 4.48Å; F39-I44 HydrophobicContact CB-CB 3.91Å; F39-I44 HydrophobicContact CB-CG2 4.43Å; F39-I44 HydrophobicContact CD2-CB 4.28Å; F39-I44 HydrophobicContact CD2-CD1 3.82Å; F39-I44 HydrophobicContact CD2-CG1 4.08Å; F39-I44 HydrophobicContact CE2-CD1 4.06Å; F39-I44 HydrophobicContact CG-CB 4.3Å; F39-I44 HydrophobicContact CG-CD1 4.27Å; C40-I44 PolarHBondContact O-N 2.95Å; C40-I44 VanDerWaalsContact O-N 3.07Å; I44-Q46 VanDerWaalsContact C-N 3.34Å; I44-H47 PolarHBondContact O-N 2.92Å; I44-F48 HydrophobicContact CD1-CD1 4.34Å; I44-F48 HydrophobicContact CD1-CE1 3.79Å; I44-F48 HydrophobicContact CD1-CE2 4.13Å; I44-F48 HydrophobicContact CD1-CZ 3.66Å; I44-F48 HydrophobicContact CG1-CD2 4.23Å; I44-F48 HydrophobicContact CG1-CE1 4.36Å; I44-F48 HydrophobicContact CG1-CE2 3.79Å; I44-F48 HydrophobicContact CG1-CZ 3.84Å; I44-F48 WeakPolarHBondContact O-CG 3.4Å; I44-F48 PolarHBondContact O-N 2.81Å; I44-F48 VanDerWaalsContact O-N 3.1Å; I44-P55 HydrophobicContact CD1-CG 3.84Å; I44-L70 HydrophobicContact CG1-CD1 4.45Å; I44-L70 HydrophobicContact CG1-CD2 4Å; I44-L70 HydrophobicContact CG2-CD1 3.98Å; I44-L70 HydrophobicContact CG2-CD2 4.33Å
45V91.9Very high94.2Very high44 Ų4454.2 Ų54.227%0.26729%0.285SS..Hα-helixtrans-63.7-43.2175.6171.40000110.5K41 F48 L67 L70K41-V45 HydrophobicContact CG-CG2 4.41Å; K41-V45 VanDerWaalsContact O-CB 3.31Å; K41-V45 WeakPolarHBondContact O-CB 3.32Å; K41-V45 WeakPolarHBondContact O-CG2 3.37Å; K41-V45 PolarHBondContact O-N 2.76Å; K41-V45 VanDerWaalsContact O-N 3.12Å; V45-F48 PolarHBondContact O-N 2.83Å; V45-L67 HydrophobicContact CB-CD2 4.43Å; V45-L67 HydrophobicContact CG1-CD2 4.25Å; V45-L67 HydrophobicContact CG2-CD2 4.03Å; V45-L70 HydrophobicContact CG2-CD1 4.23Å
46Q91.3Very high94.2Very high128 Ų12858.2 Ų58.260%0.59830%0.3SS*.Hα-helixtrans-64.4-42.1176.6-174.9179.6-300112S42 I44 F48 E49S42-Q46 VanDerWaalsContact O-CB 3.23Å; S42-Q46 WeakPolarHBondContact O-CB 3.34Å; S42-Q46 PolarHBondContact O-N 2.98Å; I44-Q46 VanDerWaalsContact C-N 3.34Å; Q46-F48 VanDerWaalsContact C-N 3.28Å; Q46-F48 PolarHBondContact O-N 3.25Å; Q46-E49 WeakPolarHBondContact O-CB 3.48Å; Q46-E49 PolarHBondContact O-N 3.09Å; Q46-E49 VanDerWaalsContact O-N 3.13Å
47H92.6Very high94.2Very high50 Ų5054.6 Ų54.623%0.23128%0.284CS..Hα-helixtrans-60.3-38.6176.7178.786.3000112.5L21 C43 I44 E49 E50 S51 D53 P55L21-H47 HydrophobicContact CD1-CB 4.33Å; C43-H47 PolarHBondContact O-N 2.81Å; I44-H47 PolarHBondContact O-N 2.92Å; H47-E49 PolarHBondContact O-N 3.1Å; H47-E50 PolarHBondContact O-N 3.32Å; H47-E50 VanDerWaalsContact O-N 3.1Å; H47-S51 PolarHBondContact O-N 3.2Å; H47-S51 VanDerWaalsContact O-N 3.09Å; H47-D53 PolarHBondContact CD2-O 3.35Å; H47-D53 PolarHBondContact NE2-O 3.37Å; H47-P55 HydrophobicContact CB-CG 4.39Å
48F90.8Very high94Very high16 Ų1655.2 Ų55.27%0.0730%0.302CS..THydrogen-bonded Turntrans-71.8-2.3177.6-71-15.1000115.1V32 I44 V45 Q46 E50 S51 V61 P66 L67 L70V32-F48 HydrophobicContact CG2-CZ 4.35Å; I44-F48 HydrophobicContact CD1-CD1 4.34Å; I44-F48 HydrophobicContact CD1-CE1 3.79Å; I44-F48 HydrophobicContact CD1-CE2 4.13Å; I44-F48 HydrophobicContact CD1-CZ 3.66Å; I44-F48 HydrophobicContact CG1-CD2 4.23Å; I44-F48 HydrophobicContact CG1-CE1 4.36Å; I44-F48 HydrophobicContact CG1-CE2 3.79Å; I44-F48 HydrophobicContact CG1-CZ 3.84Å; I44-F48 WeakPolarHBondContact O-CG 3.4Å; I44-F48 PolarHBondContact O-N 2.81Å; I44-F48 VanDerWaalsContact O-N 3.1Å; V45-F48 PolarHBondContact O-N 2.83Å; Q46-F48 VanDerWaalsContact C-N 3.28Å; Q46-F48 PolarHBondContact O-N 3.25Å; F48-E50 VanDerWaalsContact C-N 3.29Å; F48-S51 WeakPolarHBondContact CA-O 3.47Å; F48-S51 VanDerWaalsContact CD1-O 3.23Å; F48-S51 WeakPolarHBondContact CD1-O 3.4Å; F48-V61 HydrophobicContact CE1-CG2 4.2Å; F48-V61 HydrophobicContact CE2-CG1 4.43Å; F48-V61 HydrophobicContact CZ-CB 4.08Å; F48-V61 HydrophobicContact CZ-CG1 4.04Å; F48-V61 HydrophobicContact CZ-CG2 3.86Å; F48-P66 HydrophobicContact CB-CG 3.75Å; F48-P66 HydrophobicContact CD1-CB 4.1Å; F48-P66 HydrophobicContact CD1-CG 4.03Å; F48-P66 HydrophobicContact CD2-CB 3.64Å; F48-P66 HydrophobicContact CD2-CG 3.71Å; F48-P66 HydrophobicContact CE1-CB 4.14Å; F48-P66 HydrophobicContact CE2-CB 3.67Å; F48-P66 HydrophobicContact CE2-CG 4.27Å; F48-P66 HydrophobicContact CG-CB 3.87Å; F48-P66 HydrophobicContact CG-CG 3.58Å; F48-P66 HydrophobicContact CZ-CB 3.95Å; F48-L67 HydrophobicContact CB-CD2 4.45Å; F48-L67 HydrophobicContact CD2-CD2 4.14Å; F48-L70 HydrophobicContact CD2-CD1 3.96Å; F48-L70 HydrophobicContact CD2-CG 4.41Å; F48-L70 HydrophobicContact CE2-CD1 3.87Å; F48-L70 HydrophobicContact CE2-CD2 3.67Å; F48-L70 HydrophobicContact CE2-CG 3.87Å; F48-L70 HydrophobicContact CZ-CD2 4.39Å
49E89.9Confident93.9Very high152 Ų15257.9 Ų57.971%0.7131%0.313SS*.THydrogen-bonded Turntrans-74.1-24.6167-61.9177.7173.900111.6Q46 H47Q46-E49 WeakPolarHBondContact O-CB 3.48Å; Q46-E49 PolarHBondContact O-N 3.09Å; Q46-E49 VanDerWaalsContact O-N 3.13Å; H47-E49 PolarHBondContact O-N 3.1Å
50E89.5Confident93.7Very high182 Ų18263.1 Ų63.185%0.8534%0.338SS*.THydrogen-bonded Turntrans-114.8-31.8-174.5-63.3179.7-175.500113.7H47 F48H47-E50 PolarHBondContact O-N 3.32Å; H47-E50 VanDerWaalsContact O-N 3.1Å; F48-E50 VanDerWaalsContact C-N 3.29Å
51S92.3Very high93.4Very high35 Ų3563.2 Ų63.225%0.24534%0.338CS..  trans-142.9138.5-175.7170.30000111.6H47 F48 D53H47-S51 PolarHBondContact O-N 3.2Å; H47-S51 VanDerWaalsContact O-N 3.09Å; F48-S51 WeakPolarHBondContact CA-O 3.47Å; F48-S51 VanDerWaalsContact CD1-O 3.23Å; F48-S51 WeakPolarHBondContact CD1-O 3.4Å; S51-D53 VanDerWaalsContact C-N 3.26Å; S51-D53 PolarHBondContact O-N 3.1Å; S51-D53 PolarHBondContact OG-N 3.13Å; S51-D53 VanDerWaalsContact OG-N 3.14Å
52N92.4Very high93.2Very high46 Ų4662.9 Ų62.925%0.24634%0.338CS..SBendtrans-86.66.2175.1-67.7-12.9000113.3V61 E63 P66N52-V61 WeakPolarHBondContact O-CB 3.34Å; N52-V61 PolarHBondContact O-N 3.23Å; N52-E63 PolarHBondContact ND2-O 3.15Å; N52-P66 HydrophobicContact CB-CG 4.36Å; N52-P66 WeakPolarHBondContact OD1-CD 3.41Å; N52-P66 WeakPolarHBondContact OD1-CG 3.17Å
53D95.9Very high92.8Very high65 Ų6566.5 Ų66.535%0.34835%0.345SS..BIsolated β-bridgetrans-97.1146-175.4-55.7-34.2000111.3H47 S51 P55 I59 Q60H47-D53 PolarHBondContact CD2-O 3.35Å; H47-D53 PolarHBondContact NE2-O 3.37Å; S51-D53 VanDerWaalsContact C-N 3.26Å; S51-D53 PolarHBondContact O-N 3.1Å; S51-D53 PolarHBondContact OG-N 3.13Å; S51-D53 VanDerWaalsContact OG-N 3.14Å; D53-P55 WeakPolarHBondContact O-CD 3.25Å; D53-I59 WeakPolarHBondContact CA-O 3.31Å; D53-Q60 VanDerWaalsContact OD1-CA 3.31Å; D53-Q60 WeakPolarHBondContact OD1-CA 3.27Å
54C96.8Very high92.1Very high2 Ų271 Ų711%0.01437%0.372CS..  trans-65125.7176179.70000110.3C35 K56 C57 G58 I59 V61C35-C54 PolarHBondContact SG-SG 3.38Å; C54-K56 PolarHBondContact O-N 3.03Å; C54-C57 VanDerWaalsContact CB-SG 3.57Å; C54-C57 PolarHBondContact O-N 2.93Å; C54-G58 WeakPolarHBondContact O-CA 3.41Å; C54-G58 PolarHBondContact O-N 3.32Å; C54-I59 PolarHBondContact N-O 3.45Å; C54-V61 HydrophobicContact CB-CG2 3.92Å
55P95.6Very high91.5Very high27 Ų2773.7 Ų73.718%0.17539%0.387CS..THydrogen-bonded Turntrans-60.3-23.9-178.2-19.424.2000115Y20 L21 F39 I44 H47 D53Y20-P55 HydrophobicContact CD1-CB 4.4Å; Y20-P55 VanDerWaalsContact CE1-O 3.31Å; Y20-P55 WeakPolarHBondContact CE1-O 3.34Å; L21-P55 HydrophobicContact CD1-CG 4Å; L21-P55 HydrophobicContact CD2-CB 3.72Å; L21-P55 HydrophobicContact CD2-CG 4Å; L21-P55 HydrophobicContact CG-CB 4.23Å; L21-P55 HydrophobicContact CG-CG 4.24Å; F39-P55 HydrophobicContact CE1-CB 4.12Å; F39-P55 HydrophobicContact CE1-CG 4.09Å; F39-P55 HydrophobicContact CZ-CB 4.34Å; F39-P55 HydrophobicContact CZ-CG 4.13Å; I44-P55 HydrophobicContact CD1-CG 3.84Å; H47-P55 HydrophobicContact CB-CG 4.39Å; D53-P55 WeakPolarHBondContact O-CD 3.25Å
56K95.4Very high91.1Very high108 Ų10871.9 Ų71.947%0.4738%0.376SS..THydrogen-bonded Turntrans-92.1-35.6-174.3-175.7171170.3-143.60113.3Y20 H37 F39 C54Y20-K56 HydrophobicContact CD1-CB 4.44Å; H37-K56 HydrophobicContact CB-CD 4.46Å; H37-K56 VanDerWaalsContact CD2-CD 3.46Å; H37-K56 WeakPolarHBondContact CD2-CD 3.38Å; H37-K56 PolarHBondContact CD2-NZ 3.14Å; H37-K56 PolarHBondContact NE2-NZ 3.03Å; H37-K56 VanDerWaalsContact NE2-NZ 3.18Å; F39-K56 HydrophobicContact CE1-CB 4.19Å; F39-K56 HydrophobicContact CZ-CB 3.84Å; C54-K56 PolarHBondContact O-N 3.03Å
57C96.4Very high90.9Very high53 Ų5369.4 Ų69.436%0.35837%0.366SS..THydrogen-bonded Turntrans-123.9-7.4-17560.10000115.1H37 C54 I59H37-C57 PolarHBondContact ND1-SG 3.17Å; H37-C57 VanDerWaalsContact ND1-SG 3.42Å; C54-C57 VanDerWaalsContact CB-SG 3.57Å; C54-C57 PolarHBondContact O-N 2.93Å; C57-I59 HydrophobicContact CB-CG1 4.44Å; C57-I59 PolarHBondContact O-N 3.33Å
58G93.6Very high90.6Very high52 Ų5272.3 Ų72.354%0.53638%0.38SS..  trans71.28.4178.500000115.1C54C54-G58 WeakPolarHBondContact O-CA 3.41Å; C54-G58 PolarHBondContact O-N 3.32Å
59I94.1Very high90.5Very high91 Ų9173.8 Ų73.847%0.46739%0.387SS..  trans-73.5133.1175.1-63.2173.7000108.8C35 D53 C54 C57 V61C35-I59 HydrophobicContact CB-CD1 4.38Å; D53-I59 WeakPolarHBondContact CA-O 3.31Å; C54-I59 PolarHBondContact N-O 3.45Å; C57-I59 HydrophobicContact CB-CG1 4.44Å; C57-I59 PolarHBondContact O-N 3.33Å; I59-V61 PolarHBondContact O-N 3.12Å
60Q93.4Very high90.6Very high111 Ų11167.6 Ų67.652%0.51936%0.359SS..BIsolated β-bridgetrans-63.1116.1171.4-172.1175.92300109.8D53 H62D53-Q60 VanDerWaalsContact OD1-CA 3.31Å; D53-Q60 WeakPolarHBondContact OD1-CA 3.27Å; Q60-H62 WeakPolarHBondContact CG-O 3.35Å
61V91.6Very high90.7Very high6 Ų665.5 Ų65.54%0.03634%0.343CS..  trans-76.5-34.6-174.3173.50000111.5V32 E34 F48 N52 C54 I59 P66 M69V32-V61 HydrophobicContact CG1-CB 4.19Å; V32-V61 HydrophobicContact CG1-CG1 3.5Å; V32-V61 HydrophobicContact CG1-CG2 3.66Å; E34-V61 WeakPolarHBondContact CG-O 3.44Å; F48-V61 HydrophobicContact CE1-CG2 4.2Å; F48-V61 HydrophobicContact CE2-CG1 4.43Å; F48-V61 HydrophobicContact CZ-CB 4.08Å; F48-V61 HydrophobicContact CZ-CG1 4.04Å; F48-V61 HydrophobicContact CZ-CG2 3.86Å; N52-V61 WeakPolarHBondContact O-CB 3.34Å; N52-V61 PolarHBondContact O-N 3.23Å; C54-V61 HydrophobicContact CB-CG2 3.92Å; I59-V61 PolarHBondContact O-N 3.12Å; V61-P66 HydrophobicContact CB-CB 4.15Å; V61-P66 HydrophobicContact CG1-CB 4.09Å; V61-M69 HydrophobicContact CG1-CB 3.7Å; V61-M69 HydrophobicContact CG1-CG 4.4Å
62H91.2Very high90.6Very high49 Ų4967.2 Ų67.223%0.22735%0.349CS..  trans-161.1155.5175.5-166.8-82.2000109.8Q60 T64 N65 P66 M69Q60-H62 WeakPolarHBondContact CG-O 3.35Å; H62-T64 PolarHBondContact CE1-OG1 3.33Å; H62-T64 PolarHBondContact ND1-N 3.48Å; H62-N65 PolarHBondContact ND1-N 3.07Å; H62-P66 HydrophobicContact CB-CB 4.24Å; H62-M69 HydrophobicContact CB-CG 4.44Å
63E84.6Confident90.7Very high159 Ų15967.6 Ų67.674%0.74335%0.352SS*.SBendtrans-66.1-50.9179.7-62.9-179.717300112.1N52N52-E63 PolarHBondContact ND2-O 3.15Å
64T80.1Confident90.6Very high116 Ų11669.6 Ų69.671%0.71236%0.362SS*.SBendtrans-115.9-42.9-17450.70000115.6H62H62-T64 PolarHBondContact CE1-OG1 3.33Å; H62-T64 PolarHBondContact ND1-N 3.48Å
65N82.6Confident90.4Very high56 Ų5674.2 Ų74.230%0.29939%0.391SS..  trans-130.787.5-175.2-173.512000112.6H62 L67 E68H62-N65 PolarHBondContact ND1-N 3.07Å; N65-L67 PolarHBondContact O-N 3.03Å; N65-L67 WeakPolarHBondContact OD1-CB 3.41Å; N65-L67 PolarHBondContact OD1-N 3.4Å; N65-E68 WeakPolarHBondContact ND2-CG 3.45Å; N65-E68 PolarHBondContact ND2-OE1 3.32Å; N65-E68 PolarHBondContact O-N 2.75Å
66P82.9Confident90.4Very high5 Ų574.4 Ų74.43%0.03239%0.39CS..G310 helixtrans-67.1-15.8-178.131.7-40.3000113.9F48 N52 V61 H62 E68 M69F48-P66 HydrophobicContact CB-CG 3.75Å; F48-P66 HydrophobicContact CD1-CB 4.1Å; F48-P66 HydrophobicContact CD1-CG 4.03Å; F48-P66 HydrophobicContact CD2-CB 3.64Å; F48-P66 HydrophobicContact CD2-CG 3.71Å; F48-P66 HydrophobicContact CE1-CB 4.14Å; F48-P66 HydrophobicContact CE2-CB 3.67Å; F48-P66 HydrophobicContact CE2-CG 4.27Å; F48-P66 HydrophobicContact CG-CB 3.87Å; F48-P66 HydrophobicContact CG-CG 3.58Å; F48-P66 HydrophobicContact CZ-CB 3.95Å; N52-P66 HydrophobicContact CB-CG 4.36Å; N52-P66 WeakPolarHBondContact OD1-CD 3.41Å; N52-P66 WeakPolarHBondContact OD1-CG 3.17Å; V61-P66 HydrophobicContact CB-CB 4.15Å; V61-P66 HydrophobicContact CG1-CB 4.09Å; H62-P66 HydrophobicContact CB-CB 4.24Å; P66-E68 PolarHBondContact O-N 3.44Å; P66-M69 PolarHBondContact O-N 3.36Å
67L87.1Confident90.3Very high77 Ų7771 Ų7140%0.40338%0.375SS..G310 helixtrans-66.2-24.5177.5-61.7175.3000113.2V45 F48 N65 M69 L70V45-L67 HydrophobicContact CB-CD2 4.43Å; V45-L67 HydrophobicContact CG1-CD2 4.25Å; V45-L67 HydrophobicContact CG2-CD2 4.03Å; F48-L67 HydrophobicContact CB-CD2 4.45Å; F48-L67 HydrophobicContact CD2-CD2 4.14Å; N65-L67 PolarHBondContact O-N 3.03Å; N65-L67 WeakPolarHBondContact OD1-CB 3.41Å; N65-L67 PolarHBondContact OD1-N 3.4Å; L67-M69 PolarHBondContact O-N 2.77Å; L67-L70 HydrophobicContact CD2-CD1 3.87Å; L67-L70 PolarHBondContact O-N 3.38Å
68E85.9Confident90.2Very high111 Ų11172 Ų7252%0.51938%0.375SS..G310 helixtrans-70-22.2177.6-77.8179.3-152.400113.1N65 P66 L70 R71N65-E68 WeakPolarHBondContact ND2-CG 3.45Å; N65-E68 PolarHBondContact ND2-OE1 3.32Å; N65-E68 PolarHBondContact O-N 2.75Å; P66-E68 PolarHBondContact O-N 3.44Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-R71 PolarHBondContact O-NH1 3.28Å; E68-R71 PolarHBondContact O-NH2 3.05Å
69M89.8Confident90.3Very high46 Ų4673.3 Ų73.323%0.22737%0.369CS..G310 helixtrans-95.112.7179.1-62-55151.300113.1T33 E34 V61 H62 P66 L67T33-M69 PolarHBondContact N-O 2.91Å; T33-M69 WeakPolarHBondContact OG1-CB 3.49Å; T33-M69 PolarHBondContact OG1-O 3.14Å; E34-M69 HydrophobicContact CG-CG 4.44Å; V61-M69 HydrophobicContact CG1-CB 3.7Å; V61-M69 HydrophobicContact CG1-CG 4.4Å; H62-M69 HydrophobicContact CB-CG 4.44Å; P66-M69 PolarHBondContact O-N 3.36Å; L67-M69 PolarHBondContact O-N 2.77Å
70L91.8Very high90.4Very high22 Ų2269 Ų6912%0.11535%0.347CS..EExtended strand (participates in β ladder)trans-97.2134.5175.3-66.5-175.9000111.7T30 V32 I44 V45 F48 L67 E68T30-L70 HydrophobicContact CG2-CB 3.74Å; T30-L70 HydrophobicContact CG2-CD1 4.16Å; T30-L70 HydrophobicContact CG2-CD2 4.02Å; T30-L70 HydrophobicContact CG2-CG 4.19Å; V32-L70 HydrophobicContact CG2-CD2 3.75Å; I44-L70 HydrophobicContact CG1-CD1 4.45Å; I44-L70 HydrophobicContact CG1-CD2 4Å; I44-L70 HydrophobicContact CG2-CD1 3.98Å; I44-L70 HydrophobicContact CG2-CD2 4.33Å; V45-L70 HydrophobicContact CG2-CD1 4.23Å; F48-L70 HydrophobicContact CD2-CD1 3.96Å; F48-L70 HydrophobicContact CD2-CG 4.41Å; F48-L70 HydrophobicContact CE2-CD1 3.87Å; F48-L70 HydrophobicContact CE2-CD2 3.67Å; F48-L70 HydrophobicContact CE2-CG 3.87Å; F48-L70 HydrophobicContact CZ-CD2 4.39Å; L67-L70 HydrophobicContact CD2-CD1 3.87Å; L67-L70 PolarHBondContact O-N 3.38Å; E68-L70 VanDerWaalsContact C-N 3.34Å
71R91.1Very high90.4Very high138 Ų13865.1 Ų65.152%0.52133%0.328SS..EExtended strand (participates in β ladder)trans-129.2134.5173-63.8-66.3177.6-84.4-5.5110.2T30 T31 T33 E68T30-R71 CarbonylContact C-O 3.51Å; T30-R71 WeakPolarHBondContact CA-O 3.47Å; T31-R71 PolarHBondContact N-O 2.93Å; T31-R71 PolarHBondContact O-N 3.3Å; T33-R71 HydrophobicContact CG2-CG 3.63Å; E68-R71 PolarHBondContact O-NH1 3.28Å; E68-R71 PolarHBondContact O-NH2 3.05Å
72L91.4Very high90.5Very high71 Ų7172.5 Ų72.537%0.37236%0.36SS..EExtended strand (participates in β ladder)trans-74.3136172.2-72.9166.6000109.6K28 T30 K41K28-L72 HydrophobicContact CB-CD2 4.22Å; T30-L72 VanDerWaalsContact OG1-CD2 3.27Å; T30-L72 WeakPolarHBondContact OG1-CD2 3.5Å; K41-L72 HydrophobicContact CB-CD2 4.45Å; K41-L72 HydrophobicContact CD-CD2 4.16Å; K41-L72 HydrophobicContact CG-CD2 4.46Å
73D94.5Very high90.6Very high55 Ų5572.8 Ų72.829%0.29436%0.363SS..  trans-104.680.9176-166.8-24000110P29 T75 L76 E77P29-D73 WeakPolarHBondContact CG-O 3.38Å; P29-D73 PolarHBondContact O-N 2.88Å; D73-T75 PolarHBondContact O-N 3Å; D73-T75 PolarHBondContact OD1-N 3.28Å; D73-L76 HydrophobicContact CB-CB 3.94Å; D73-L76 PolarHBondContact O-N 3.37Å; D73-L76 WeakPolarHBondContact OD1-CB 3.49Å; D73-L76 PolarHBondContact OD1-N 3.24Å; D73-E77 PolarHBondContact O-N 2.86Å
74N91.9Very high91.1Very high106 Ų10665.8 Ų65.857%0.56733%0.331SS*.Hα-helixtrans-62.3-27.7-179.9-60.1-24.1000111.9E78N74-E78 WeakPolarHBondContact O-CG 3.28Å; N74-E78 PolarHBondContact O-N 3.07Å; N74-E78 VanDerWaalsContact O-N 3.07Å
75T93.1Very high91.6Very high100 Ų10065.8 Ų65.861%0.61333%0.333SS*.Hα-helixtrans-71.1-46.4177.9-59.40000110.9D73 E77 E78 I79D73-T75 PolarHBondContact O-N 3Å; D73-T75 PolarHBondContact OD1-N 3.28Å; T75-E77 VanDerWaalsContact C-N 3.29Å; T75-E77 PolarHBondContact O-N 2.98Å; T75-E78 PolarHBondContact O-N 3.16Å; T75-I79 HydrophobicContact CG2-CD1 4.06Å; T75-I79 VanDerWaalsContact O-CG1 3.28Å; T75-I79 WeakPolarHBondContact O-CG1 3.39Å; T75-I79 PolarHBondContact O-N 2.87Å
76L95.2Very high92.1Very high30 Ų3065.1 Ų65.116%0.15734%0.34CS..Hα-helixtrans-61.8-39.8174.3-178.559.2000111.1L26 P29 T38 D73 E78 I79 I80L26-L76 HydrophobicContact CD1-CD2 4.03Å; P29-L76 HydrophobicContact CB-CD2 3.92Å; P29-L76 HydrophobicContact CB-CG 4.28Å; P29-L76 HydrophobicContact CG-CB 4.22Å; P29-L76 HydrophobicContact CG-CD2 4.43Å; P29-L76 HydrophobicContact CG-CG 4.25Å; T38-L76 HydrophobicContact CG2-CD2 3.91Å; D73-L76 HydrophobicContact CB-CB 3.94Å; D73-L76 PolarHBondContact O-N 3.37Å; D73-L76 WeakPolarHBondContact OD1-CB 3.49Å; D73-L76 PolarHBondContact OD1-N 3.24Å; L76-E78 PolarHBondContact O-N 3.45Å; L76-I79 PolarHBondContact O-N 3.12Å; L76-I80 HydrophobicContact CD1-CD1 4.11Å; L76-I80 HydrophobicContact CD1-CG1 4.15Å; L76-I80 HydrophobicContact CG-CD1 3.84Å; L76-I80 HydrophobicContact CG-CG1 4.32Å; L76-I80 WeakPolarHBondContact O-CB 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.31Å; L76-I80 PolarHBondContact O-N 3.23Å
77E95.1Very high92.6Very high36 Ų3665.7 Ų65.717%0.16834%0.342CS..Hα-helixtrans-56.6-50.5174.6-173.8166.875.400112K28 P29 D73 T75 I79 I80 F81K28-E77 WeakPolarHBondContact CA-OE2 3.45Å; K28-E77 WeakPolarHBondContact CG-OE2 3.23Å; K28-E77 PolarHBondContact N-OE2 2.94Å; P29-E77 HydrophobicContact CG-CB 3.74Å; D73-E77 PolarHBondContact O-N 2.86Å; T75-E77 VanDerWaalsContact C-N 3.29Å; T75-E77 PolarHBondContact O-N 2.98Å; E77-I79 VanDerWaalsContact C-N 3.3Å; E77-I79 PolarHBondContact O-N 2.9Å; E77-I80 PolarHBondContact O-N 3.48Å; E77-I80 VanDerWaalsContact O-N 3.16Å; E77-F81 HydrophobicContact CG-CD2 3.66Å; E77-F81 HydrophobicContact CG-CE2 3.26Å; E77-F81 HydrophobicContact CG-CZ 3.98Å; E77-F81 WeakPolarHBondContact O-CD2 3.44Å; E77-F81 PolarHBondContact O-N 3.31Å
78E93.7Very high92.9Very high74 Ų7466.8 Ų66.835%0.34634%0.341SS..Hα-helixtrans-61.4-37.7177.5-78.4-63125.600112.7N74 T75 L76 K82 R88N74-E78 WeakPolarHBondContact O-CG 3.28Å; N74-E78 PolarHBondContact O-N 3.07Å; N74-E78 VanDerWaalsContact O-N 3.07Å; T75-E78 PolarHBondContact O-N 3.16Å; L76-E78 PolarHBondContact O-N 3.45Å; E78-K82 WeakPolarHBondContact O-CB 3.33Å; E78-K82 WeakPolarHBondContact O-CD 3.14Å; E78-K82 VanDerWaalsContact O-CG 3.25Å; E78-K82 WeakPolarHBondContact O-CG 3.23Å; E78-K82 PolarHBondContact O-N 3.12Å; E78-K82 VanDerWaalsContact O-N 3.12Å; E78-R88 IonicContact OE1-CZ 3.75Å; E78-R88 IonicContact OE1-NH1 3.81Å; E78-R88 IonicContact OE1-NH2 2.78Å; E78-R88 PolarHBondContact OE1-NH2 2.63Å; E78-R88 IonicContact OE2-NH2 3.61Å
79I95Very high93.2Very high81 Ų8167 Ų6742%0.41534%0.342SS..Hα-helixtrans-63.5-47.7174.1-69.7165.4000110.1T75 L76 E77 F81 K82 L83T75-I79 HydrophobicContact CG2-CD1 4.06Å; T75-I79 VanDerWaalsContact O-CG1 3.28Å; T75-I79 WeakPolarHBondContact O-CG1 3.39Å; T75-I79 PolarHBondContact O-N 2.87Å; L76-I79 PolarHBondContact O-N 3.12Å; E77-I79 VanDerWaalsContact C-N 3.3Å; E77-I79 PolarHBondContact O-N 2.9Å; I79-F81 PolarHBondContact O-N 3.22Å; I79-K82 PolarHBondContact O-N 3.48Å; I79-L83 HydrophobicContact CG2-CD1 3.65Å; I79-L83 HydrophobicContact CG2-CG 4.18Å; I79-L83 WeakPolarHBondContact O-CB 3.43Å; I79-L83 VanDerWaalsContact O-CG 3.27Å; I79-L83 WeakPolarHBondContact O-CG 3.44Å; I79-L83 PolarHBondContact O-N 2.99Å
80I95.6Very high93.4Very high0 Ų070.7 Ų70.70%036%0.357CS..Hα-helixtrans-60.5-47.9-179.1-69.5173.3000110.8I17 L26 L76 E77 K82 L83 V84 L87I17-I80 HydrophobicContact CB-CD1 4.05Å; I17-I80 HydrophobicContact CB-CG1 3.8Å; I17-I80 HydrophobicContact CG2-CD1 4.21Å; I17-I80 HydrophobicContact CG2-CG1 3.62Å; L26-I80 HydrophobicContact CB-CD1 3.68Å; L26-I80 HydrophobicContact CD1-CD1 4.06Å; L26-I80 HydrophobicContact CG-CD1 4.41Å; L76-I80 HydrophobicContact CD1-CD1 4.11Å; L76-I80 HydrophobicContact CD1-CG1 4.15Å; L76-I80 HydrophobicContact CG-CD1 3.84Å; L76-I80 HydrophobicContact CG-CG1 4.32Å; L76-I80 WeakPolarHBondContact O-CB 3.25Å; L76-I80 WeakPolarHBondContact O-CG1 3.31Å; L76-I80 PolarHBondContact O-N 3.23Å; E77-I80 PolarHBondContact O-N 3.48Å; E77-I80 VanDerWaalsContact O-N 3.16Å; I80-K82 VanDerWaalsContact C-N 3.26Å; I80-K82 PolarHBondContact O-N 2.87Å; I80-L83 PolarHBondContact O-N 3.06Å; I80-L83 VanDerWaalsContact O-N 3.12Å; I80-V84 HydrophobicContact CG2-CG2 4.47Å; I80-V84 PolarHBondContact O-N 3.34Å; I80-L87 HydrophobicContact CG2-CD2 3.7Å
81F94.9Very high93.4Very high29 Ų2971.6 Ų71.613%0.12736%0.36CS..Hα-helixtrans-66.1-27.5179.3-69.1-36.9000113.4I27 E77 I79 L87 R88I27-F81 HydrophobicContact CD1-CE1 4.44Å; E77-F81 HydrophobicContact CG-CD2 3.66Å; E77-F81 HydrophobicContact CG-CE2 3.26Å; E77-F81 HydrophobicContact CG-CZ 3.98Å; E77-F81 WeakPolarHBondContact O-CD2 3.44Å; E77-F81 PolarHBondContact O-N 3.31Å; I79-F81 PolarHBondContact O-N 3.22Å; F81-L87 HydrophobicContact CD1-CB 4.25Å; F81-L87 HydrophobicContact CD1-CD2 4.06Å; F81-L87 HydrophobicContact CD1-CG 4.14Å; F81-L87 HydrophobicContact CE1-CD2 4.12Å; F81-L87 HydrophobicContact CE1-CG 4.05Å; F81-R88 HydrophobicContact CD1-CB 3.94Å; F81-R88 VanDerWaalsContact CD2-NH2 3.32Å; F81-R88 HydrophobicContact CE1-CB 4.23Å; F81-R88 HydrophobicContact CG-CB 4.11Å
82K93.6Very high93.3Very high162 Ų16270.5 Ų70.570%0.70436%0.361SS*.Hα-helixtrans-77.6-31.9172-72.8171.4-174.6172.50112.8E78 I79 I80E78-K82 WeakPolarHBondContact O-CB 3.33Å; E78-K82 WeakPolarHBondContact O-CD 3.14Å; E78-K82 VanDerWaalsContact O-CG 3.25Å; E78-K82 WeakPolarHBondContact O-CG 3.23Å; E78-K82 PolarHBondContact O-N 3.12Å; E78-K82 VanDerWaalsContact O-N 3.12Å; I79-K82 PolarHBondContact O-N 3.48Å; I80-K82 VanDerWaalsContact C-N 3.26Å; I80-K82 PolarHBondContact O-N 2.87Å
83L93.1Very high93.3Very high54 Ų5471.3 Ų71.328%0.28336%0.363SS..Hα-helixtrans-79.2-34179.5-72.9176.6000113.1V10 F13 I17 I79 I80 P85V10-L83 VanDerWaalsContact CG2-O 3.32Å; V10-L83 WeakPolarHBondContact CG2-O 3.31Å; F13-L83 HydrophobicContact CB-CD1 4.4Å; F13-L83 HydrophobicContact CG-CD1 4.34Å; I17-L83 HydrophobicContact CG2-CD1 4.42Å; I79-L83 HydrophobicContact CG2-CD1 3.65Å; I79-L83 HydrophobicContact CG2-CG 4.18Å; I79-L83 WeakPolarHBondContact O-CB 3.43Å; I79-L83 VanDerWaalsContact O-CG 3.27Å; I79-L83 WeakPolarHBondContact O-CG 3.44Å; I79-L83 PolarHBondContact O-N 2.99Å; I80-L83 PolarHBondContact O-N 3.06Å; I80-L83 VanDerWaalsContact O-N 3.12Å; L83-P85 WeakPolarHBondContact O-CD 3.11Å
84V94.5Very high93Very high13 Ų1373 Ų738%0.07937%0.369CS..SBendtrans-111.399.2-175.1-170.20000110V10 I17 Y25 I80 L87V10-V84 HydrophobicContact CG1-CG2 3.94Å; I17-V84 HydrophobicContact CD1-CG2 3.85Å; Y25-V84 HydrophobicContact CD1-CG2 4.13Å; Y25-V84 HydrophobicContact CD2-CG1 4.1Å; Y25-V84 HydrophobicContact CE1-CG2 4.01Å; Y25-V84 HydrophobicContact CE2-CG1 3.78Å; Y25-V84 HydrophobicContact CE2-CG2 4.43Å; Y25-V84 HydrophobicContact CG-CG2 4.41Å; I80-V84 HydrophobicContact CG2-CG2 4.47Å; I80-V84 PolarHBondContact O-N 3.34Å; V84-L87 HydrophobicContact CB-CB 4.06Å; V84-L87 HydrophobicContact CB-CD2 4.06Å; V84-L87 HydrophobicContact CG1-CB 3.88Å; V84-L87 HydrophobicContact CG1-CD2 4.21Å; V84-L87 HydrophobicContact CG2-CD2 4.45Å; V84-L87 WeakPolarHBondContact O-CB 3.25Å; V84-L87 PolarHBondContact O-N 3.35Å
85P91Very high92.5Very high115 Ų11571.1 Ų71.175%0.74736%0.357SS*.THydrogen-bonded Turntrans-61.7139.8179.6-21.232.7000112.1L83 L87L83-P85 WeakPolarHBondContact O-CD 3.11Å; P85-L87 PolarHBondContact O-N 3.29Å
86G92.2Very high92.1Very high43 Ų4369.8 Ų69.844%0.44335%0.346SS..THydrogen-bonded Turntrans78.3-4175.700000115E89 K90G86-E89 VanDerWaalsContact C-OE2 3.22Å; G86-E89 WeakPolarHBondContact CA-OE2 3.39Å; G86-K90 VanDerWaalsContact O-CB 3.25Å; G86-K90 WeakPolarHBondContact O-CB 3.48Å; G86-K90 PolarHBondContact O-N 3.02Å; G86-K90 VanDerWaalsContact O-N 3.15Å
87L94Very high91.8Very high16 Ų1673.2 Ų73.28%0.08436%0.361CS..Hα-helixtrans-69.4-43.9-178-175.664.3000111.5Y25 I27 I80 F81 V84 P85 K90 E91Y25-L87 HydrophobicContact CD2-CD1 4.15Å; Y25-L87 HydrophobicContact CD2-CD2 4.26Å; Y25-L87 HydrophobicContact CG-CD2 4.2Å; I27-L87 HydrophobicContact CD1-CD1 4.19Å; I27-L87 HydrophobicContact CD1-CD2 4.14Å; I27-L87 HydrophobicContact CD1-CG 4.19Å; I80-L87 HydrophobicContact CG2-CD2 3.7Å; F81-L87 HydrophobicContact CD1-CB 4.25Å; F81-L87 HydrophobicContact CD1-CD2 4.06Å; F81-L87 HydrophobicContact CD1-CG 4.14Å; F81-L87 HydrophobicContact CE1-CD2 4.12Å; F81-L87 HydrophobicContact CE1-CG 4.05Å; V84-L87 HydrophobicContact CB-CB 4.06Å; V84-L87 HydrophobicContact CB-CD2 4.06Å; V84-L87 HydrophobicContact CG1-CB 3.88Å; V84-L87 HydrophobicContact CG1-CD2 4.21Å; V84-L87 HydrophobicContact CG2-CD2 4.45Å; V84-L87 WeakPolarHBondContact O-CB 3.25Å; V84-L87 PolarHBondContact O-N 3.35Å; P85-L87 PolarHBondContact O-N 3.29Å; L87-K90 PolarHBondContact O-N 3.45Å; L87-E91 WeakPolarHBondContact O-CG 3.48Å; L87-E91 PolarHBondContact O-N 3.15Å
88R92.9Very high91.2Very high100 Ų10077.1 Ų77.138%0.37738%0.378SS..Hα-helixtrans-60.9-50.3-179.7-178.2-173.7-63.6-86.98.6111.1E78 F81 K90 E91 E92E78-R88 IonicContact OE1-CZ 3.75Å; E78-R88 IonicContact OE1-NH1 3.81Å; E78-R88 IonicContact OE1-NH2 2.78Å; E78-R88 PolarHBondContact OE1-NH2 2.63Å; E78-R88 IonicContact OE2-NH2 3.61Å; F81-R88 HydrophobicContact CD1-CB 3.94Å; F81-R88 VanDerWaalsContact CD2-NH2 3.32Å; F81-R88 HydrophobicContact CE1-CB 4.23Å; F81-R88 HydrophobicContact CG-CB 4.11Å; R88-K90 VanDerWaalsContact C-N 3.27Å; R88-K90 PolarHBondContact O-N 2.78Å; R88-E91 PolarHBondContact O-N 3.02Å; R88-E92 PolarHBondContact O-N 3.11Å
89E93.6Very high90.4Very high116 Ų11676 Ų7654%0.54237%0.37SS..Hα-helixtrans-62.6-37.9-178.8-60.782.1176.200111G86 Q93G86-E89 VanDerWaalsContact C-OE2 3.22Å; G86-E89 WeakPolarHBondContact CA-OE2 3.39Å; E89-Q93 VanDerWaalsContact O-CB 3.27Å; E89-Q93 WeakPolarHBondContact O-CB 3.1Å; E89-Q93 PolarHBondContact O-N 2.91Å
90K93.8Very high89.7Confident123 Ų12378.3 Ų78.354%0.53538%0.377SS..Hα-helixtrans-65.7-43.9176.3-174.5-178.3178.3-174.70112.3G86 L87 R88 Q93 Q94G86-K90 VanDerWaalsContact O-CB 3.25Å; G86-K90 WeakPolarHBondContact O-CB 3.48Å; G86-K90 PolarHBondContact O-N 3.02Å; G86-K90 VanDerWaalsContact O-N 3.15Å; L87-K90 PolarHBondContact O-N 3.45Å; R88-K90 VanDerWaalsContact C-N 3.27Å; R88-K90 PolarHBondContact O-N 2.78Å; K90-Q93 PolarHBondContact O-N 3.22Å; K90-Q94 VanDerWaalsContact O-CG 3.31Å; K90-Q94 WeakPolarHBondContact O-CG 3.49Å; K90-Q94 PolarHBondContact O-N 3.45Å
91E92.4Very high88.9Confident41 Ų4187.4 Ų87.419%0.19242%0.417CS..Hα-helixtrans-65.1-43.7177.1-69.3-61.5130.800111.5I27 L87 R88 Q93 Q94 E95I27-E91 HydrophobicContact CD1-CG 3.56Å; I27-E91 HydrophobicContact CG1-CG 4.08Å; I27-E91 HydrophobicContact CG2-CG 4.26Å; I27-E91 WeakPolarHBondContact CG2-OE2 3.25Å; L87-E91 WeakPolarHBondContact O-CG 3.48Å; L87-E91 PolarHBondContact O-N 3.15Å; R88-E91 PolarHBondContact O-N 3.02Å; E91-Q93 VanDerWaalsContact C-N 3.34Å; E91-Q93 PolarHBondContact O-N 3.46Å; E91-Q94 PolarHBondContact O-N 3.37Å; E91-E95 WeakPolarHBondContact O-CG 3.27Å; E91-E95 PolarHBondContact O-N 3.1Å
92E87.8Confident87.9Confident115 Ų11588.8 Ų88.854%0.53743%0.426SS..Hα-helixtrans-59.9-44.6175.6-177.7173.7-151.800111.7R88 Q94 E95 L96R88-E92 PolarHBondContact O-N 3.11Å; E92-Q94 VanDerWaalsContact C-N 3.34Å; E92-Q94 PolarHBondContact O-N 2.96Å; E92-E95 PolarHBondContact O-N 3.23Å; E92-L96 HydrophobicContact CG-CD1 4.32Å; E92-L96 WeakPolarHBondContact O-CG 3.31Å; E92-L96 PolarHBondContact O-N 2.94Å
93Q90.6Very high86.8Confident89 Ų8984.2 Ų84.242%0.41641%0.407SS..Hα-helixtrans-60.7-42.3176-178.262.332.500112E89 K90 E91 L96 E97E89-Q93 VanDerWaalsContact O-CB 3.27Å; E89-Q93 WeakPolarHBondContact O-CB 3.1Å; E89-Q93 PolarHBondContact O-N 2.91Å; K90-Q93 PolarHBondContact O-N 3.22Å; E91-Q93 VanDerWaalsContact C-N 3.34Å; E91-Q93 PolarHBondContact O-N 3.46Å; Q93-L96 PolarHBondContact O-N 3.27Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.47Å; Q93-E97 PolarHBondContact NE2-OE1 2.95Å; Q93-E97 WeakPolarHBondContact O-CB 3.39Å; Q93-E97 VanDerWaalsContact O-CG 3.31Å; Q93-E97 WeakPolarHBondContact O-CG 3.34Å; Q93-E97 PolarHBondContact O-N 3.06Å
94Q88.4Confident85.2Confident89 Ų8984.1 Ų84.142%0.41641%0.409SS..Hα-helixtrans-65.3-40.4176.6-73.9179.25.700112.3K90 E91 E92 E97 F98K90-Q94 VanDerWaalsContact O-CG 3.31Å; K90-Q94 WeakPolarHBondContact O-CG 3.49Å; K90-Q94 PolarHBondContact O-N 3.45Å; E91-Q94 PolarHBondContact O-N 3.37Å; E92-Q94 VanDerWaalsContact C-N 3.34Å; E92-Q94 PolarHBondContact O-N 2.96Å; Q94-E97 PolarHBondContact O-N 3.24Å; Q94-F98 WeakPolarHBondContact O-CB 3.46Å; Q94-F98 PolarHBondContact O-N 2.91Å
95E83.1Confident83.4Confident68 Ų6893 Ų9332%0.31845%0.447SS..Hα-helixtrans-60.9-47.3174-73.3-172.3168.800110.6K28 E91 E92 E97 F98 W99K28-E95 IonicContact NZ-OE1 3.14Å; K28-E95 PolarHBondContact NZ-OE1 3.38Å; E91-E95 WeakPolarHBondContact O-CG 3.27Å; E91-E95 PolarHBondContact O-N 3.1Å; E92-E95 PolarHBondContact O-N 3.23Å; E95-E97 PolarHBondContact O-N 3.35Å; E95-F98 PolarHBondContact O-N 3.34Å; E95-W99 PolarHBondContact O-N 3.44Å
96L83.5Confident81.6Confident72 Ų7296.3 Ų96.338%0.37745%0.452SS..Hα-helixtrans-59.9-43.9176.7-71.5170.3000112.5E92 Q93 W99 K100E92-L96 HydrophobicContact CG-CD1 4.32Å; E92-L96 WeakPolarHBondContact O-CG 3.31Å; E92-L96 PolarHBondContact O-N 2.94Å; Q93-L96 PolarHBondContact O-N 3.27Å; L96-W99 PolarHBondContact O-N 3.42Å; L96-K100 WeakPolarHBondContact O-CB 3.38Å; L96-K100 VanDerWaalsContact O-CG 3.29Å; L96-K100 WeakPolarHBondContact O-CG 3.49Å; L96-K100 PolarHBondContact O-N 3.43Å
97E88.3Confident79.6Confident102 Ų102102 Ų10248%0.47747%0.473SS..Hα-helixtrans-64.5-42.8178.2-76.6172.5-171.100112.5Q93 Q94 E95 W99 K100 K101Q93-E97 WeakPolarHBondContact CG-OE1 3.47Å; Q93-E97 PolarHBondContact NE2-OE1 2.95Å; Q93-E97 WeakPolarHBondContact O-CB 3.39Å; Q93-E97 VanDerWaalsContact O-CG 3.31Å; Q93-E97 WeakPolarHBondContact O-CG 3.34Å; Q93-E97 PolarHBondContact O-N 3.06Å; Q94-E97 PolarHBondContact O-N 3.24Å; E95-E97 PolarHBondContact O-N 3.35Å; E97-W99 VanDerWaalsContact C-N 3.32Å; E97-W99 PolarHBondContact O-N 2.92Å; E97-K100 PolarHBondContact O-N 2.83Å; E97-K101 WeakPolarHBondContact O-CB 3.31Å; E97-K101 PolarHBondContact O-N 3.31Å
98F83.4Confident77.5Confident118 Ų118104 Ų10452%0.51850%0.497SS..Hα-helixtrans-58.1-47.3175.3174-94.8000111Q94 E95 K101 N102Q94-F98 WeakPolarHBondContact O-CB 3.46Å; Q94-F98 PolarHBondContact O-N 2.91Å; E95-F98 PolarHBondContact O-N 3.34Å; F98-K101 PolarHBondContact O-N 2.97Å; F98-N102 WeakPolarHBondContact O-CB 3.46Å; F98-N102 PolarHBondContact O-N 2.89Å
99W77.4Confident75.2Confident49 Ų49108.3 Ų108.319%0.18652%0.521CS..Hα-helixtrans-69.9-38.4-178.9-70.8127.6000113.2E95 L96 E97 K101 N102 Q103 A144 F168 Y227 P228E95-W99 PolarHBondContact O-N 3.44Å; L96-W99 PolarHBondContact O-N 3.42Å; E97-W99 VanDerWaalsContact C-N 3.32Å; E97-W99 PolarHBondContact O-N 2.92Å; W99-K101 VanDerWaalsContact C-N 3.29Å; W99-K101 PolarHBondContact O-N 2.92Å; W99-N102 CarbonylContact O-C 3.5Å; W99-N102 PolarHBondContact O-N 3.37Å; W99-N102 VanDerWaalsContact O-N 3.17Å; W99-Q103 PolarHBondContact O-N 3.26Å; W99-Q103 VanDerWaalsContact O-N 3.12Å; W99-A144 HydrophobicContact CH2-CB 4.15Å; W99-A144 HydrophobicContact CZ3-CB 3.82Å; W99-F168 HydrophobicContact CZ2-CD1 4.34Å; W99-Y227 HydrophobicContact CB-CD1 3.92Å; W99-Y227 WeakPolarHBondContact CB-O 3.43Å; W99-Y227 HydrophobicContact CD2-CD1 4.22Å; W99-Y227 HydrophobicContact CD2-CE1 4.38Å; W99-Y227 AromaticContact CE3-CD1 3.62Å; W99-Y227 HydrophobicContact CE3-CD1 3.62Å; W99-Y227 AromaticContact CE3-CE1 3.37Å; W99-Y227 HydrophobicContact CE3-CE1 3.37Å; W99-Y227 HydrophobicContact CG-CD1 4.39Å; W99-Y227 HydrophobicContact CZ3-CD1 4.43Å; W99-Y227 AromaticContact CZ3-CE1 3.79Å; W99-Y227 HydrophobicContact CZ3-CE1 3.79Å; W99-Y227 WeakPolarHBondContact O-CD1 3.3Å; W99-P228 HydrophobicContact CD2-CG 4.42Å; W99-P228 HydrophobicContact CZ2-CG 4.41Å
100K79.6Confident72.8Confident131 Ų131111.8 Ų111.857%0.5754%0.538SS*.Hα-helixtrans-57.2-43.3171-77.8173.6-178.1177.10111.7L96 E97 N102L96-K100 WeakPolarHBondContact O-CB 3.38Å; L96-K100 VanDerWaalsContact O-CG 3.29Å; L96-K100 WeakPolarHBondContact O-CG 3.49Å; L96-K100 PolarHBondContact O-N 3.43Å; E97-K100 PolarHBondContact O-N 2.83Å; K100-N102 VanDerWaalsContact C-N 3.3Å; K100-N102 PolarHBondContact O-N 3.26Å
101K79.3Confident70.4Confident190 Ų190111.4 Ų111.483%0.82655%0.55SS**Hα-helixtrans-67.9-30.7178.3-174.5177.8178-178.30112.9E97 F98 W99E97-K101 WeakPolarHBondContact O-CB 3.31Å; E97-K101 PolarHBondContact O-N 3.31Å; F98-K101 PolarHBondContact O-N 2.97Å; W99-K101 VanDerWaalsContact C-N 3.29Å; W99-K101 PolarHBondContact O-N 2.92Å
102N73.5Confident68.3Low59 Ų59117.1 Ų117.132%0.31658%0.581SS.*THydrogen-bonded Turntrans-101.919.6-175.5-153.280.3000113.3F98 W99 K100 Y227F98-N102 WeakPolarHBondContact O-CB 3.46Å; F98-N102 PolarHBondContact O-N 2.89Å; W99-N102 CarbonylContact O-C 3.5Å; W99-N102 PolarHBondContact O-N 3.37Å; W99-N102 VanDerWaalsContact O-N 3.17Å; K100-N102 VanDerWaalsContact C-N 3.3Å; K100-N102 PolarHBondContact O-N 3.26Å; N102-Y227 WeakPolarHBondContact O-CE1 3.45Å
103Q69.9Low65.9Low66 Ų66123.3 Ų123.331%0.30860%0.6SS.*SBendtrans-56.5141.9169.6-79.1-176.4-8.200109.9W99 K105 N225 Y227W99-Q103 PolarHBondContact O-N 3.26Å; W99-Q103 VanDerWaalsContact O-N 3.12Å; Q103-K105 PolarHBondContact O-N 2.76Å; Q103-K105 VanDerWaalsContact O-N 3.11Å; Q103-N225 PolarHBondContact NE2-O 3.14Å; Q103-Y227 HydrophobicContact CG-CD1 4.45Å; Q103-Y227 HydrophobicContact CG-CG 4.07Å
104P60.7Low63.4Low51 Ų51125.1 Ų125.133%0.33162%0.621SS.*PPolyproline II helixtrans-53.8122.3171-18.729.7000108.2E106 Y227P104-E106 PolarHBondContact O-N 3.09Å; P104-Y227 HydrophobicContact CG-CE2 3.96Å
105K57.1Low61.2Low200 Ų200129.4 Ų129.487%0.8765%0.645SS**PPolyproline II helixtrans-56.5126.1172.1-71.9-176.2176.4-177.30107.3Q103 N107Q103-K105 PolarHBondContact O-N 2.76Å; Q103-K105 VanDerWaalsContact O-N 3.11Å; K105-N107 PolarHBondContact O-N 3.28Å
106E53.1Low59.2Low184 Ų184130.9 Ų130.986%0.8667%0.669SS**  trans-57.3113172.8-66.7-172.5108.100108P104 G108P104-E106 PolarHBondContact O-N 3.09Å; E106-G108 PolarHBondContact O-N 3.12Å
107N49.5Very low57Low163 Ų163135.5 Ų135.587%0.87270%0.695SS**  trans-7482.9172.8-125.116.3000107.4K105K105-N107 PolarHBondContact O-N 3.28Å
108G50.9Low54.4Low57 Ų57134.2 Ų134.259%0.58871%0.708SS**  trans-151.744.3-174.300000112.2E106E106-G108 PolarHBondContact O-N 3.12Å
109Q43.2Very low51.8Low191 Ų191132.1 Ų132.189%0.89372%0.72SS**SBendtrans164.561.4152-94169.219.800111.9
110E43.2Very low49.7Very low190 Ų190134.7 Ų134.789%0.88875%0.752SS**  trans-135.856.1159.6-66.6-168.6116.300109.8
111S44.6Very low47.5Very low115 Ų115133.7 Ų133.780%0.80477%0.768SS**SBendtrans-129.570.6158.7-169.90000108.3
112L47.6Very low45.1Very low160 Ų160128.6 Ų128.684%0.83877%0.77SS**SBendtrans173.896150.7-124.268.2000107.5
113R37.7Very low43.1Very low246 Ų246129.7 Ų129.793%0.92880%0.795SS**SBendtrans170.453.1148.8-90.9157.2-168.1-139.75.6111.4
114C37.7Very low41.5Very low126 Ų126131.4 Ų131.485%0.85182%0.82SS**SBendtrans-140.646.7160.4-53.70000110.1
115L43.1Very low40.3Very low179 Ų179136.8 Ų136.894%0.93785%0.846SS**  trans-140.573.3168.3-74.5176.2000108.5
116A41Very low39.4Very low99 Ų99134.8 Ų134.882%0.81885%0.845SS**  trans-171.288.415800000108.4
117D36Very low38.9Very low170 Ų170133.3 Ų133.391%0.90984%0.843SS**SBend-172.5154116.2-151.6-106.1000109.2
118G33.8Very low38.3Very low74 Ų74129.2 Ų129.276%0.76384%0.839SS**  trans-59.8168.3-157.200000117.5
119G30Very low38.1Very low74 Ų74136.5 Ų136.576%0.76386%0.858SS**  cis168.216112.900000110.8
120A31.9Very low38.2Very low103 Ų103131.4 Ų131.485%0.85186%0.857SS**  trans72.5101.9155.600000121.7
121A34Very low37.9Very low110 Ų110125.9 Ų125.991%0.90985%0.85SS**  79.5125.1119.200000121.9
122G29.3Very low38.3Very low84 Ų84129.8 Ų129.887%0.86686%0.856SS**  trans147.589.1153.100000113
123G31.4Very low38.5Very low82 Ų82127.9 Ų127.985%0.84585%0.847SS**  trans-87.4164.7178.100000114.4
124A34.9Very low39.3Very low101 Ų101119.2 Ų119.284%0.83583%0.834SS**  trans167.4144.213400000109
125D37.4Very low40.8Very low165 Ų165115 Ų11588%0.88280%0.803SS**  trans-57147.1-177.8-45.8-76.5000113.9
126D37.1Very low41.8Very low157 Ų157116.6 Ų116.684%0.8480%0.798SS**  trans-169.9137.5138.1-16333.6000111.8
127D43.3Very low43.2Very low153 Ų153116.7 Ų116.782%0.81878%0.781SS**  trans-66.8145.3177.8-72-85.2000112.9
128G35.4Very low44.6Very low77 Ų77119.3 Ų119.379%0.79478%0.778SS**  trans-175.9101.3172.300000114.5
129E47.8Very low46.5Very low211 Ų211120.5 Ų120.599%0.98678%0.775SS**  trans-53.1136.9164.8-69175.611400112
130G44.4Very low49.1Very low84 Ų84117.6 Ų117.687%0.86674%0.742SS**  trans140106.2162.900000114.5
131G38.3Very low51.5Low73 Ų73116.4 Ų116.475%0.75373%0.726SS**  trans-170.279.3168.400000110.8D133G131-D133 PolarHBondContact O-N 3.16Å; G131-D133 VanDerWaalsContact O-N 3.13Å
132E52.7Low54.1Low197 Ų197114.3 Ų114.392%0.92170%0.697SS**  trans-55.2115.2159.5-70.9173.8121.900107.5G134E132-G134 VanDerWaalsContact C-N 3.28Å; E132-G134 PolarHBondContact O-N 3.29Å
133D51.4Low56.9Low121 Ų121110.7 Ų110.765%0.64766%0.658SS**  trans-62.786.4180-16715.4000109.4G131 D135G131-D133 PolarHBondContact O-N 3.16Å; G131-D133 VanDerWaalsContact O-N 3.13Å; D133-D135 PolarHBondContact O-N 3.17Å
134G55.4Low59.7Low64 Ų64106.9 Ų106.966%0.6662%0.618SS**THydrogen-bonded Turntrans-72.715-171.600000114.9E132E132-G134 VanDerWaalsContact C-N 3.28Å; E132-G134 PolarHBondContact O-N 3.29Å
135D68.8Low62.5Low36 Ų36102 Ų10219%0.19358%0.578CS.*THydrogen-bonded Turntrans-93.4-12.8-175114.1-31.3000113.4D133 H137 R138 S139D133-D135 PolarHBondContact O-N 3.17Å; D135-H137 PolarHBondContact O-N 2.71Å; D135-H137 VanDerWaalsContact OD1-CA 3.26Å; D135-H137 WeakPolarHBondContact OD1-CA 3.29Å; D135-H137 PolarHBondContact OD1-N 2.92Å; D135-R138 WeakPolarHBondContact O-CB 3.4Å; D135-R138 PolarHBondContact O-N 3Å; D135-R138 PolarHBondContact OD1-N 2.85Å; D135-S139 WeakPolarHBondContact OD2-CA 3.4Å; D135-S139 WeakPolarHBondContact OD2-CB 3.34Å; D135-S139 PolarHBondContact OD2-N 3.12Å; D135-S139 PolarHBondContact OD2-OG 3.17Å
136Y63.6Low65.1Low213 Ų21394.4 Ų94.484%0.83554%0.538SS*.THydrogen-bonded Turntrans45.741.9-178.1-64.6-83.7000113.8R138Y136-R138 PolarHBondContact O-N 3.35Å
137H69.4Low67.8Low102 Ų10287 Ų8747%0.47250%0.498SS..THydrogen-bonded Turntrans6420.3-176.4-53.4-68.5000114.6D135 S139 D140D135-H137 PolarHBondContact O-N 2.71Å; D135-H137 VanDerWaalsContact OD1-CA 3.26Å; D135-H137 WeakPolarHBondContact OD1-CA 3.29Å; D135-H137 PolarHBondContact OD1-N 2.92Å; H137-S139 VanDerWaalsContact C-N 3.34Å; H137-D140 HydrophobicContact CB-CB 4.29Å; H137-D140 VanDerWaalsContact CB-OD2 3.24Å; H137-D140 WeakPolarHBondContact CB-OD2 3.41Å; H137-D140 IonicContact CE1-OD2 3.57Å; H137-D140 IonicContact CG-OD2 3.97Å; H137-D140 IonicContact ND1-OD2 3.34Å; H137-D140 PolarHBondContact ND1-OD2 3.43Å; H137-D140 WeakPolarHBondContact O-CB 3.26Å; H137-D140 PolarHBondContact O-N 2.8Å
138R66.5Low70.1Confident224 Ų22481.7 Ų81.785%0.84547%0.47SS*.SBendtrans-73-28.6-178.3-165.5177.8-155.3167.25.6112.4D135 Y136D135-R138 WeakPolarHBondContact O-CB 3.4Å; D135-R138 PolarHBondContact O-N 3Å; D135-R138 PolarHBondContact OD1-N 2.85Å; Y136-R138 PolarHBondContact O-N 3.35Å
139S74.4Confident72.6Confident100 Ų10078.8 Ų78.870%0.69944%0.437SS*.SBendtrans-92.2-7175.8-39.50000112.8D135 H137D135-S139 WeakPolarHBondContact OD2-CA 3.4Å; D135-S139 WeakPolarHBondContact OD2-CB 3.34Å; D135-S139 PolarHBondContact OD2-N 3.12Å; D135-S139 PolarHBondContact OD2-OG 3.17Å; H137-S139 VanDerWaalsContact C-N 3.34Å
140D83Confident74.4Confident12 Ų1271.3 Ų71.36%0.06440%0.404CS..SBendtrans-60.2147.4178.1-81.2-11.4000111H137 Q142 S172 R174H137-D140 HydrophobicContact CB-CB 4.29Å; H137-D140 VanDerWaalsContact CB-OD2 3.24Å; H137-D140 WeakPolarHBondContact CB-OD2 3.41Å; H137-D140 IonicContact CE1-OD2 3.57Å; H137-D140 IonicContact CG-OD2 3.97Å; H137-D140 IonicContact ND1-OD2 3.34Å; H137-D140 PolarHBondContact ND1-OD2 3.43Å; H137-D140 WeakPolarHBondContact O-CB 3.26Å; H137-D140 PolarHBondContact O-N 2.8Å; D140-Q142 PolarHBondContact O-N 3.3Å; D140-Q142 PolarHBondContact O-NE2 3.02Å; D140-S172 WeakPolarHBondContact CB-OG 3.46Å; D140-S172 PolarHBondContact OD2-OG 2.88Å; D140-R174 IonicContact OD1-CZ 2.83Å; D140-R174 IonicContact OD1-NE 3.37Å; D140-R174 PolarHBondContact OD1-NE 3.41Å; D140-R174 IonicContact OD1-NH1 3.24Å; D140-R174 PolarHBondContact OD1-NH1 3.06Å; D140-R174 VanDerWaalsContact OD1-NH1 3.15Å; D140-R174 IonicContact OD1-NH2 3.36Å; D140-R174 VanDerWaalsContact OD2-CD 3.26Å; D140-R174 WeakPolarHBondContact OD2-CD 3.15Å; D140-R174 IonicContact OD2-NE 3.42Å; D140-R174 IonicContact OD2-NH1 3.87Å
141P82.9Confident75.7Confident78 Ų7872.8 Ų72.851%0.50639%0.388SS..PPolyproline II helixtrans-51.9126.9170.8-23.532.8000110.5S172 S173P141-S172 CarbonylContact O-C 3.47Å; P141-S173 WeakPolarHBondContact O-CB 3.45Å; P141-S173 PolarHBondContact O-N 3.05Å; P141-S173 PolarHBondContact O-OG 3.45Å
142Q87.8Confident76.6Confident66 Ų6673.6 Ų73.631%0.30838%0.375SS..EExtended strand (participates in β ladder)trans-93.8134.1-177.9-60.8-64.9-59.600110.3D140 R170 C171D140-Q142 PolarHBondContact O-N 3.3Å; D140-Q142 PolarHBondContact O-NE2 3.02Å; Q142-R170 HydrophobicContact CB-CG 4.27Å; Q142-C171 CarbonylContact C-O 3.57Å; Q142-C171 WeakPolarHBondContact CA-O 3.34Å; Q142-C171 PolarHBondContact OE1-O 3.43Å
143I89.3Confident76.3Confident8 Ų869.6 Ų69.64%0.04138%0.376CS..EExtended strand (participates in β ladder)trans-119.4144.6173.3-168.5166.6000109.8R170 C171 L211 Y215 M229I143-R170 WeakPolarHBondContact O-CA 3.45Å; I143-C171 PolarHBondContact N-O 3.44Å; I143-C171 PolarHBondContact O-N 2.79Å; I143-L211 HydrophobicContact CG2-CB 3.89Å; I143-L211 HydrophobicContact CG2-CD1 3.7Å; I143-L211 HydrophobicContact CG2-CG 4.47Å; I143-Y215 HydrophobicContact CD1-CD2 3.91Å; I143-Y215 HydrophobicContact CD1-CG 3.98Å; I143-M229 HydrophobicContact CD1-CE 3.94Å
144A90.7Very high76.1Confident2 Ų267.3 Ų67.32%0.01738%0.38CS..EExtended strand (participates in β ladder)trans-102.9134170.700000109.4W99 I169 Y227 P228 M229W99-A144 HydrophobicContact CH2-CB 4.15Å; W99-A144 HydrophobicContact CZ3-CB 3.82Å; A144-I169 CarbonylContact C-O 3.57Å; A144-I169 VanDerWaalsContact CA-O 3.29Å; A144-I169 WeakPolarHBondContact CA-O 3.34Å; A144-Y227 HydrophobicContact CB-CE1 4.01Å; A144-Y227 HydrophobicContact CB-CE2 4.27Å; A144-Y227 WeakPolarHBondContact CB-OH 3.46Å; A144-Y227 PolarHBondContact N-OH 3.42Å; A144-Y227 VanDerWaalsContact N-OH 3.15Å; A144-P228 HydrophobicContact CB-CB 3.88Å; A144-P228 VanDerWaalsContact O-CB 3.27Å; A144-P228 WeakPolarHBondContact O-CB 3.46Å; A144-M229 PolarHBondContact O-N 2.67Å
145I93.1Very high75.7Confident0 Ų071.1 Ų71.10%038%0.381CS..EExtended strand (participates in β ladder)trans-124.3148.1177.761.9173.8000110.5L147 F168 I169 I180 L211 M229 L231I145-L147 HydrophobicContact CD1-CD2 4.04Å; I145-L147 HydrophobicContact CD1-CG 4.44Å; I145-F168 WeakPolarHBondContact O-CA 3.44Å; I145-I169 HydrophobicContact CD1-CB 4.49Å; I145-I169 HydrophobicContact CG1-CB 3.99Å; I145-I169 PolarHBondContact N-O 2.98Å; I145-I169 PolarHBondContact O-N 3.45Å; I145-I180 HydrophobicContact CD1-CD1 3.68Å; I145-I180 HydrophobicContact CD1-CG1 4.45Å; I145-L211 HydrophobicContact CD1-CD1 4.05Å; I145-L211 HydrophobicContact CD1-CD2 4.32Å; I145-L211 HydrophobicContact CG2-CD1 4.01Å; I145-L211 HydrophobicContact CG2-CD2 4.25Å; I145-M229 CarbonylContact C-O 3.59Å; I145-M229 WeakPolarHBondContact CA-O 3.3Å; I145-M229 HydrophobicContact CG2-CB 4.33Å; I145-M229 HydrophobicContact CG2-CE 3.59Å; I145-L231 HydrophobicContact CD1-CD1 4.27Å
146C92.6Very high74.4Confident4 Ų476.2 Ų76.23%0.02742%0.419CS..EExtended strand (participates in β ladder)trans-103.2135.3164.9-169.50000108.8D148 R167 F168 P228 M229 V230 L231C146-D148 PolarHBondContact SG-OD2 3.41Å; C146-R167 CarbonylContact C-O 3.5Å; C146-R167 WeakPolarHBondContact CA-O 3.29Å; C146-F168 HydrophobicContact CB-CD1 3.86Å; C146-F168 HydrophobicContact CB-CE1 3.68Å; C146-F168 VanDerWaalsContact SG-CE1 3.52Å; C146-P228 HydrophobicContact CB-CG 4.29Å; C146-M229 PolarHBondContact N-O 2.91Å; C146-V230 HydrophobicContact CB-CB 4.46Å; C146-V230 HydrophobicContact CB-CG1 4.38Å; C146-V230 HydrophobicContact CB-CG2 4.1Å; C146-L231 PolarHBondContact O-N 3.46Å
147L93.8Very high73.4Confident1 Ų168.2 Ų68.21%0.00540%0.402CS..EExtended strand (participates in β ladder)trans-110.9103.1176-64.1-176.5000109.3I145 L164 R167 I169 I180 F183 L184 L231 Y233I145-L147 HydrophobicContact CD1-CD2 4.04Å; I145-L147 HydrophobicContact CD1-CG 4.44Å; L147-L164 HydrophobicContact CB-CD1 3.85Å; L147-L164 HydrophobicContact CD1-CD1 3.81Å; L147-L164 HydrophobicContact CG-CD1 4.48Å; L147-R167 PolarHBondContact N-O 2.89Å; L147-R167 VanDerWaalsContact O-CB 3.26Å; L147-R167 WeakPolarHBondContact O-CB 3.4Å; L147-I169 HydrophobicContact CD1-CD1 3.48Å; L147-I169 VanDerWaalsContact CD1-CD1 3.48Å; L147-I169 HydrophobicContact CD1-CG1 4.49Å; L147-I169 HydrophobicContact CG-CD1 4.26Å; L147-I180 HydrophobicContact CD1-CG2 4.3Å; L147-I180 HydrophobicContact CD2-CG2 3.93Å; L147-F183 HydrophobicContact CD1-CD1 4.22Å; L147-F183 HydrophobicContact CD1-CE1 4.15Å; L147-L184 HydrophobicContact CD1-CD2 4.02Å; L147-L184 HydrophobicContact CD1-CG 4.32Å; L147-L231 VanDerWaalsContact CA-O 3.32Å; L147-L231 WeakPolarHBondContact CA-O 3.17Å; L147-L231 HydrophobicContact CD2-CB 3.97Å; L147-L231 HydrophobicContact CD2-CD1 4.41Å; L147-Y233 HydrophobicContact CB-CD1 4.25Å; L147-Y233 HydrophobicContact CB-CE1 4.1Å
148D90.9Very high72.2Confident43 Ų4373.1 Ų73.123%0.2343%0.425CS..EExtended strand (participates in β ladder)trans-105135.8-179.4-74.5-41.1000111.8C146 R167 V230 L231 E232 Y233C146-D148 PolarHBondContact SG-OD2 3.41Å; D148-R167 WeakPolarHBondContact OD1-CD 3.15Å; D148-R167 IonicContact OD1-NH1 2.63Å; D148-V230 HydrophobicContact CB-CG1 4.42Å; D148-V230 WeakPolarHBondContact OD2-CG1 3.17Å; D148-L231 PolarHBondContact N-O 3.35Å; D148-E232 CarbonylContact O-C 3.56Å; D148-E232 VanDerWaalsContact O-CA 3.28Å; D148-E232 WeakPolarHBondContact O-CA 3.03Å; D148-Y233 WeakPolarHBondContact O-CD1 3.35Å; D148-Y233 WeakPolarHBondContact O-CE1 3.37Å; D148-Y233 PolarHBondContact O-N 3.22Å
149C88.7Confident71.7Confident16 Ų1665.9 Ų65.911%0.10841%0.408CS..EExtended strand (participates in β ladder)trans-81.7119178.6-1720000110H151 D163 Y233C149-H151 PolarHBondContact O-N 3.06Å; C149-H151 PolarHBondContact O-ND1 3.4Å; C149-D163 VanDerWaalsContact CB-OD1 3.3Å; C149-D163 WeakPolarHBondContact CB-OD1 2.99Å; C149-Y233 HydrophobicContact CB-CE1 4.13Å; C149-Y233 HydrophobicContact CB-CE2 3.9Å; C149-Y233 WeakPolarHBondContact CB-OH 3.44Å
150L84.4Confident71.1Confident54 Ų5463.8 Ų63.828%0.28339%0.394SS..  trans-76.4105.3170.7-84.2168.8000109.7L199 E232 Y233 R234L150-L199 HydrophobicContact CD1-CD1 4.25Å; L150-E232 HydrophobicContact CD1-CB 3.57Å; L150-E232 HydrophobicContact CD1-CG 4.19Å; L150-E232 HydrophobicContact CG-CB 3.8Å; L150-E232 HydrophobicContact CG-CG 4.13Å; L150-Y233 PolarHBondContact N-O 2.71Å; L150-R234 HydrophobicContact CB-CB 4.21Å
151H71.8Confident70.7Confident115 Ų11563.5 Ų63.553%0.53239%0.393SS..  trans-81.3119.2170.2-71.179.9000109.6C149 A153 D163C149-H151 PolarHBondContact O-N 3.06Å; C149-H151 PolarHBondContact O-ND1 3.4Å; H151-A153 PolarHBondContact O-N 3.05Å; H151-D163 IonicContact CE1-OD1 2.82Å; H151-D163 IonicContact CE1-OD2 3.98Å; H151-D163 PolarHBondContact CE1-OD2 2.98Å; H151-D163 VanDerWaalsContact CE1-OD2 3.24Å; H151-D163 IonicContact NE2-OD2 3.37Å
152N58Low70.6Confident90 Ų9063.6 Ų63.648%0.48139%0.392SS..  trans-71.1103.8169.5-79.1-21.9000108.7G154N152-G154 VanDerWaalsContact C-N 3.26Å; N152-G154 PolarHBondContact O-N 2.9Å
153A45.1Very low70.3Confident113 Ų11364.9 Ų64.993%0.93440%0.401SS*.THydrogen-bonded Turntrans-64.284.917200000110H151H151-A153 PolarHBondContact O-N 3.05Å
154G47.3Very low70Confident72 Ų7265.4 Ų65.474%0.74240%0.404SS*.THydrogen-bonded Turntrans163.7-10.4177.600000117.1N152N152-G154 VanDerWaalsContact C-N 3.26Å; N152-G154 PolarHBondContact O-N 2.9Å
155Q47.1Very low69.1Low145 Ų14573.4 Ų73.468%0.67844%0.443SS*.  trans-115.6100177.6-71.7-177.812.800111.4G157Q155-G157 PolarHBondContact O-N 3.46Å
156S41.5Very low68.4Low143 Ų14380.2 Ų80.2100%147%0.472SS*.  trans-71.250.5161-53.70000111
157G43.1Very low68.2Low45 Ų4585.5 Ų85.546%0.46449%0.492SS..SBendtrans-123.4150.1170.300000108.6Q155 S159Q155-G157 PolarHBondContact O-N 3.46Å; G157-S159 VanDerWaalsContact C-N 3.3Å; G157-S159 PolarHBondContact O-N 3.18Å; G157-S159 PolarHBondContact O-OG 2.93Å
158E44.8Very low68Low205 Ų20589 Ų8996%0.95851%0.507SS*.  trans-52.490.1178.6-77.5175.5133.700111.5S160E158-S160 PolarHBondContact O-N 2.84Å; E158-S160 VanDerWaalsContact O-N 3.16Å
159S55.2Low68Low71 Ų7188.6 Ų88.650%0.49751%0.505SS..  trans-74.2102.4166.5-52.80000105.5G157 V161G157-S159 VanDerWaalsContact C-N 3.3Å; G157-S159 PolarHBondContact O-N 3.18Å; G157-S159 PolarHBondContact O-OG 2.93Å; S159-V161 PolarHBondContact O-N 3.34Å
160S62.8Low68Low57 Ų5795.5 Ų95.540%0.39953%0.528SS..  trans-64.8-7.3179.155.70000113.7E158 L190 Y194E158-S160 PolarHBondContact O-N 2.84Å; E158-S160 VanDerWaalsContact O-N 3.16Å; S160-L190 WeakPolarHBondContact O-CD2 3.44Å; S160-Y194 WeakPolarHBondContact OG-CE2 3.19Å; S160-Y194 PolarHBondContact OG-OH 3.09Å; S160-Y194 VanDerWaalsContact OG-OH 3.12Å
161V73.4Confident68.4Low6 Ų693.9 Ų93.94%0.03652%0.521CS..  trans-97.6118.2178.3-178.50000108.6S159 L188 L190 Y194 L196 Y233 P235S159-V161 PolarHBondContact O-N 3.34Å; V161-L188 HydrophobicContact CG1-CD1 4.04Å; V161-L190 HydrophobicContact CG2-CD1 4.1Å; V161-L190 HydrophobicContact CG2-CD2 4.26Å; V161-Y194 HydrophobicContact CG2-CD1 4.29Å; V161-Y194 HydrophobicContact CG2-CE1 3.43Å; V161-Y194 VanDerWaalsContact CG2-CE1 3.43Å; V161-L196 HydrophobicContact CG1-CD2 4.5Å; V161-L196 HydrophobicContact CG2-CD2 3.87Å; V161-Y233 HydrophobicContact CG1-CD2 3.77Å; V161-Y233 HydrophobicContact CG1-CE2 3.49Å; V161-Y233 VanDerWaalsContact CG1-CE2 3.49Å; V161-P235 HydrophobicContact CB-CG 4.19Å; V161-P235 HydrophobicContact CG2-CG 3.74Å
162T81.1Confident69.3Low80 Ų8088.9 Ų88.949%0.49150%0.499SS..  trans-118.5166.8-179.761.70000110.6L188 Y233T162-L188 WeakPolarHBondContact O-CD2 3.46Å; T162-Y233 PolarHBondContact O-OH 3.42Å; T162-Y233 VanDerWaalsContact O-OH 3.09Å
163D82.3Confident70.8Confident92 Ų9285 Ų8549%0.49248%0.479SS..  trans-56.9143.5172.3-70.3-63.2000113.5C149 H151C149-D163 VanDerWaalsContact CB-OD1 3.3Å; C149-D163 WeakPolarHBondContact CB-OD1 2.99Å; H151-D163 IonicContact CE1-OD1 2.82Å; H151-D163 IonicContact CE1-OD2 3.98Å; H151-D163 PolarHBondContact CE1-OD2 2.98Å; H151-D163 VanDerWaalsContact CE1-OD2 3.24Å; H151-D163 IonicContact NE2-OD2 3.37Å
164L81.7Confident73Confident20 Ų2085.8 Ų85.811%0.10546%0.458CS..  trans-75.5130.8170.7-74.9173.9000110.3L147 K166 F183 L184 K187 L188 Y233L147-L164 HydrophobicContact CB-CD1 3.85Å; L147-L164 HydrophobicContact CD1-CD1 3.81Å; L147-L164 HydrophobicContact CG-CD1 4.48Å; L164-K166 PolarHBondContact O-N 3.3Å; L164-K166 VanDerWaalsContact O-N 3.11Å; L164-F183 HydrophobicContact CD1-CE1 4.4Å; L164-L184 HydrophobicContact CD1-CD2 3.66Å; L164-L184 HydrophobicContact CD2-CD2 4.43Å; L164-L184 HydrophobicContact CG-CD2 4.2Å; L164-K187 HydrophobicContact CD2-CB 3.78Å; L164-L188 HydrophobicContact CD2-CD2 3.79Å; L164-L188 HydrophobicContact CD2-CG 4.11Å; L164-L188 HydrophobicContact CG-CD2 4.44Å; L164-Y233 HydrophobicContact CD1-CE1 4.46Å; L164-Y233 PolarHBondContact N-OH 2.92Å
165M72.1Confident75.2Confident170 Ų17083.9 Ų83.984%0.83743%0.432SS*.SBendtrans-58.6-25.6170.7-64.7-174.4179.800113.4
166K79.9Confident77.5Confident142 Ų14278.8 Ų78.862%0.61741%0.411SS*.  trans-130.988.3175.1-65.8-175-177.5-177.20108.7L164L164-K166 PolarHBondContact O-N 3.3Å; L164-K166 VanDerWaalsContact O-N 3.11Å
167R87.4Confident80.1Confident115 Ų11572 Ų7243%0.43436%0.363SS..  trans-75.9-17.8179.860.6-178.2171.3-169.8-3.5115.1C146 L147 D148C146-R167 CarbonylContact C-O 3.5Å; C146-R167 WeakPolarHBondContact CA-O 3.29Å; L147-R167 PolarHBondContact N-O 2.89Å; L147-R167 VanDerWaalsContact O-CB 3.26Å; L147-R167 WeakPolarHBondContact O-CB 3.4Å; D148-R167 WeakPolarHBondContact OD1-CD 3.15Å; D148-R167 IonicContact OD1-NH1 2.63Å
168F88.9Confident82.5Confident75 Ų7570.1 Ų70.133%0.32934%0.344SS..EExtended strand (participates in β ladder)trans-97.4131.3-178.9-61.2-79.6000111.7W99 I145 C146 P228W99-F168 HydrophobicContact CZ2-CD1 4.34Å; I145-F168 WeakPolarHBondContact O-CA 3.44Å; C146-F168 HydrophobicContact CB-CD1 3.86Å; C146-F168 HydrophobicContact CB-CE1 3.68Å; C146-F168 VanDerWaalsContact SG-CE1 3.52Å; F168-P228 HydrophobicContact CD1-CG 3.7Å; F168-P228 HydrophobicContact CE1-CG 3.65Å
169I91.4Very high84.9Confident35 Ų3563.8 Ų63.818%0.17932%0.319CS..EExtended strand (participates in β ladder)trans-132.8135.7180-54176.1000108.9A144 I145 L147 C171 F183A144-I169 CarbonylContact C-O 3.57Å; A144-I169 VanDerWaalsContact CA-O 3.29Å; A144-I169 WeakPolarHBondContact CA-O 3.34Å; I145-I169 HydrophobicContact CD1-CB 4.49Å; I145-I169 HydrophobicContact CG1-CB 3.99Å; I145-I169 PolarHBondContact N-O 2.98Å; I145-I169 PolarHBondContact O-N 3.45Å; L147-I169 HydrophobicContact CD1-CD1 3.48Å; L147-I169 VanDerWaalsContact CD1-CD1 3.48Å; L147-I169 HydrophobicContact CD1-CG1 4.49Å; L147-I169 HydrophobicContact CG-CD1 4.26Å; I169-C171 HydrophobicContact CG2-CB 4.29Å; I169-F183 HydrophobicContact CD1-CD1 3.85Å; I169-F183 HydrophobicContact CD1-CE1 3.29Å; I169-F183 HydrophobicContact CD1-CE2 4.42Å; I169-F183 HydrophobicContact CD1-CZ 3.6Å; I169-F183 HydrophobicContact CG1-CE1 4.45Å; I169-F183 HydrophobicContact CG1-CZ 4.46Å
170R89.9Confident86.8Confident160 Ų16060.7 Ų60.760%0.60430%0.297SS*.EExtended strand (participates in β ladder)trans-108.9126.3166.5-173.1175179.9168-0.4108.7Q142 I143Q142-R170 HydrophobicContact CB-CG 4.27Å; I143-R170 WeakPolarHBondContact O-CA 3.45Å
171C90.9Very high88.2Confident21 Ų2160.2 Ų60.214%0.14229%0.288CS..EExtended strand (participates in β ladder)trans-154.3172.4-176.459.70000111.5Q142 I143 I169 V175 L211Q142-C171 CarbonylContact C-O 3.57Å; Q142-C171 WeakPolarHBondContact CA-O 3.34Å; Q142-C171 PolarHBondContact OE1-O 3.43Å; I143-C171 PolarHBondContact N-O 3.44Å; I143-C171 PolarHBondContact O-N 2.79Å; I169-C171 HydrophobicContact CG2-CB 4.29Å; C171-V175 HydrophobicContact CB-CG2 4.06Å; C171-L211 WeakPolarHBondContact SG-CD1 3.48Å
172S91.5Very high89.1Confident10 Ų1066 Ų667%0.0731%0.312CS..EExtended strand (participates in β ladder)trans-56.9138173.8165.50000110.7D140 P141 R174 V175D140-S172 WeakPolarHBondContact CB-OG 3.46Å; D140-S172 PolarHBondContact OD2-OG 2.88Å; P141-S172 CarbonylContact O-C 3.47Å; S172-R174 PolarHBondContact O-N 2.93Å; S172-R174 VanDerWaalsContact O-N 3.14Å; S172-R174 WeakPolarHBondContact OG-CB 3.44Å; S172-R174 PolarHBondContact OG-N 2.86Å; S172-R174 VanDerWaalsContact OG-N 3.1Å; S172-V175 WeakPolarHBondContact O-CB 3.27Å; S172-V175 VanDerWaalsContact O-CG2 3.25Å; S172-V175 WeakPolarHBondContact O-CG2 3.19Å; S172-V175 PolarHBondContact O-N 3.15Å
173S90.4Very high89.7Confident7 Ų765.3 Ų65.35%0.04930%0.303CS..THydrogen-bonded Turntrans-62-17.6174.669.40000112.7P141 V175 L211 E212P141-S173 WeakPolarHBondContact O-CB 3.45Å; P141-S173 PolarHBondContact O-N 3.05Å; P141-S173 PolarHBondContact O-OG 3.45Å; S173-V175 VanDerWaalsContact C-N 3.32Å; S173-L211 PolarHBondContact O-N 3.45Å; S173-E212 PolarHBondContact O-N 2.86Å
174R90.2Very high90.1Very high131 Ų13160.9 Ų60.949%0.49428%0.279SS..THydrogen-bonded Turntrans-80.2-9.4175.9-55.9-170-179.1166.7-3.4113.8D140 S172 T176D140-R174 IonicContact OD1-CZ 2.83Å; D140-R174 IonicContact OD1-NE 3.37Å; D140-R174 PolarHBondContact OD1-NE 3.41Å; D140-R174 IonicContact OD1-NH1 3.24Å; D140-R174 PolarHBondContact OD1-NH1 3.06Å; D140-R174 VanDerWaalsContact OD1-NH1 3.15Å; D140-R174 IonicContact OD1-NH2 3.36Å; D140-R174 VanDerWaalsContact OD2-CD 3.26Å; D140-R174 WeakPolarHBondContact OD2-CD 3.15Å; D140-R174 IonicContact OD2-NE 3.42Å; D140-R174 IonicContact OD2-NH1 3.87Å; S172-R174 PolarHBondContact O-N 2.93Å; S172-R174 VanDerWaalsContact O-N 3.14Å; S172-R174 WeakPolarHBondContact OG-CB 3.44Å; S172-R174 PolarHBondContact OG-N 2.86Å; S172-R174 VanDerWaalsContact OG-N 3.1Å; R174-T176 PolarHBondContact O-N 2.94Å
175V94.3Very high90.5Very high31 Ų3161.5 Ų61.519%0.18829%0.285CS..  trans-56.6134.1175.2170.80000109.6C171 S172 S173 T179 I180 T210 L211C171-V175 HydrophobicContact CB-CG2 4.06Å; S172-V175 WeakPolarHBondContact O-CB 3.27Å; S172-V175 VanDerWaalsContact O-CG2 3.25Å; S172-V175 WeakPolarHBondContact O-CG2 3.19Å; S172-V175 PolarHBondContact O-N 3.15Å; S173-V175 VanDerWaalsContact C-N 3.32Å; V175-T179 HydrophobicContact CG1-CG2 4.13Å; V175-I180 HydrophobicContact CG1-CD1 3.78Å; V175-I180 HydrophobicContact CG1-CG1 4.1Å; V175-T210 CarbonylContact O-C 3.46Å; V175-T210 WeakPolarHBondContact O-CA 3.41Å; V175-L211 HydrophobicContact CB-CD1 3.94Å; V175-L211 HydrophobicContact CB-CG 4.23Å; V175-L211 HydrophobicContact CG1-CD1 4.2Å; V175-L211 HydrophobicContact CG1-CG 4.46Å; V175-L211 WeakPolarHBondContact O-CG 3.2Å; V175-L211 PolarHBondContact O-N 3.3Å
176T95.7Very high91.3Very high39 Ų3960.1 Ų60.124%0.23928%0.28CS..BIsolated β-bridgetrans-94.8157.6179.658.60000112.2R174 G178 T179 I180 H209 T210R174-T176 PolarHBondContact O-N 2.94Å; T176-G178 PolarHBondContact O-N 2.99Å; T176-T179 WeakPolarHBondContact O-CA 3.44Å; T176-T179 VanDerWaalsContact O-CB 3.31Å; T176-T179 WeakPolarHBondContact O-CB 3.44Å; T176-T179 PolarHBondContact O-N 2.62Å; T176-T179 PolarHBondContact OG1-N 3.32Å; T176-T179 PolarHBondContact OG1-OG1 2.86Å; T176-T179 VanDerWaalsContact OG1-OG1 3.07Å; T176-I180 PolarHBondContact O-N 3.4Å; T176-I180 VanDerWaalsContact O-N 3.08Å; T176-H209 CarbonylContact C-O 3.51Å; T176-H209 VanDerWaalsContact CA-O 3.26Å; T176-H209 WeakPolarHBondContact CA-O 3.29Å; T176-T210 HydrophobicContact CG2-CG2 4.17Å
177V95Very high91.7Very high0 Ų059.7 Ų59.70%028%0.279CS..Hα-helixtrans-55.2-37.2171.61740000111.5T179 I180 K181 V198 M205 G206 H209 I214V177-T179 PolarHBondContact O-N 2.89Å; V177-I180 CarbonylContact O-C 3.5Å; V177-I180 PolarHBondContact O-N 2.72Å; V177-I180 VanDerWaalsContact O-N 3.11Å; V177-K181 HydrophobicContact CG1-CD 4.3Å; V177-K181 HydrophobicContact CG1-CG 4.21Å; V177-K181 WeakPolarHBondContact O-CG 3.25Å; V177-K181 PolarHBondContact O-N 3.17Å; V177-V198 HydrophobicContact CG1-CB 3.84Å; V177-V198 HydrophobicContact CG1-CG1 4.36Å; V177-V198 HydrophobicContact CG1-CG2 4.1Å; V177-M205 HydrophobicContact CG1-CB 4.35Å; V177-M205 HydrophobicContact CG2-CB 3.73Å; V177-G206 VanDerWaalsContact CB-O 3.3Å; V177-G206 WeakPolarHBondContact CB-O 3.31Å; V177-H209 HydrophobicContact CG2-CB 4.06Å; V177-H209 PolarHBondContact N-O 2.82Å; V177-I214 HydrophobicContact CG2-CD1 3.43Å; V177-I214 VanDerWaalsContact CG2-CD1 3.43Å
178G94Very high91.6Very high6 Ų655.5 Ų55.56%0.06226%0.264CS..Hα-helixtrans-58.6-35.1174.700000113.1T176 K182 R207T176-G178 PolarHBondContact O-N 2.99Å; G178-K182 WeakPolarHBondContact O-CG 3.18Å; G178-K182 PolarHBondContact O-N 2.79Å; G178-K182 VanDerWaalsContact O-N 3.14Å; G178-R207 PolarHBondContact N-O 3.13Å
179T94.6Very high91.5Very high71 Ų7161.1 Ų61.144%0.43629%0.289SS..Hα-helixtrans-72.6-40.1174.9-53.80000111.1V175 T176 V177 K182 F183V175-T179 HydrophobicContact CG1-CG2 4.13Å; T176-T179 WeakPolarHBondContact O-CA 3.44Å; T176-T179 VanDerWaalsContact O-CB 3.31Å; T176-T179 WeakPolarHBondContact O-CB 3.44Å; T176-T179 PolarHBondContact O-N 2.62Å; T176-T179 PolarHBondContact OG1-N 3.32Å; T176-T179 PolarHBondContact OG1-OG1 2.86Å; T176-T179 VanDerWaalsContact OG1-OG1 3.07Å; V177-T179 PolarHBondContact O-N 2.89Å; T179-K182 PolarHBondContact O-N 3.47Å; T179-F183 WeakPolarHBondContact O-CB 3.27Å; T179-F183 PolarHBondContact O-N 3.2Å
180I94.7Very high91.2Very high6 Ų660.4 Ų60.43%0.03129%0.285CS..Hα-helixtrans-62-44.7173.6-60.3-57.7000111.5I145 L147 V175 T176 V177 K182 F183 L184 V198 L211I145-I180 HydrophobicContact CD1-CD1 3.68Å; I145-I180 HydrophobicContact CD1-CG1 4.45Å; L147-I180 HydrophobicContact CD1-CG2 4.3Å; L147-I180 HydrophobicContact CD2-CG2 3.93Å; V175-I180 HydrophobicContact CG1-CD1 3.78Å; V175-I180 HydrophobicContact CG1-CG1 4.1Å; T176-I180 PolarHBondContact O-N 3.4Å; T176-I180 VanDerWaalsContact O-N 3.08Å; V177-I180 CarbonylContact O-C 3.5Å; V177-I180 PolarHBondContact O-N 2.72Å; V177-I180 VanDerWaalsContact O-N 3.11Å; I180-K182 PolarHBondContact O-N 2.71Å; I180-F183 WeakPolarHBondContact O-CB 3.28Å; I180-F183 PolarHBondContact O-N 3.35Å; I180-L184 HydrophobicContact CG2-CD1 4.02Å; I180-L184 HydrophobicContact CG2-CG 4.48Å; I180-L184 WeakPolarHBondContact O-CG 3.32Å; I180-L184 PolarHBondContact O-N 3.14Å; I180-V198 HydrophobicContact CG2-CG2 4.32Å; I180-L211 HydrophobicContact CG1-CD2 4.34Å
181K93.2Very high90.9Very high47 Ų4756.2 Ų56.220%0.20428%0.279CS..Hα-helixtrans-57.4-47.7175.2-72.7-174.7-179-154.80111V177 F183 L184 S185 L196 D197 V198V177-K181 HydrophobicContact CG1-CD 4.3Å; V177-K181 HydrophobicContact CG1-CG 4.21Å; V177-K181 WeakPolarHBondContact O-CG 3.25Å; V177-K181 PolarHBondContact O-N 3.17Å; K181-F183 PolarHBondContact O-N 2.78Å; K181-L184 PolarHBondContact O-N 2.84Å; K181-S185 PolarHBondContact O-N 3.15Å; K181-S185 PolarHBondContact O-OG 3.11Å; K181-S185 VanDerWaalsContact O-OG 3.09Å; K181-L196 VanDerWaalsContact CD-O 3.3Å; K181-L196 WeakPolarHBondContact CD-O 3.45Å; K181-L196 WeakPolarHBondContact CE-O 3.25Å; K181-L196 PolarHBondContact NZ-O 3.5Å; K181-D197 IonicContact NZ-OD1 2.64Å; K181-V198 HydrophobicContact CG-CG2 3.73Å
182K91.6Very high90.3Very high128 Ų12861.7 Ų61.756%0.55732%0.317SS*.Hα-helixtrans-60-43.9175.1-73.7175.2-179.7-178.40112.3G178 T179 I180 S185 L186G178-K182 WeakPolarHBondContact O-CG 3.18Å; G178-K182 PolarHBondContact O-N 2.79Å; G178-K182 VanDerWaalsContact O-N 3.14Å; T179-K182 PolarHBondContact O-N 3.47Å; I180-K182 PolarHBondContact O-N 2.71Å; K182-S185 PolarHBondContact O-N 3.1Å; K182-L186 WeakPolarHBondContact O-CG 3.42Å; K182-L186 PolarHBondContact O-N 2.91Å
183F93.3Very high89.7Confident65 Ų6566.2 Ų66.229%0.28535%0.349SS..Hα-helixtrans-59.8-45.6177.2171.1-92.6000111.7L147 L164 I169 T179 I180 K181 L186 K187L147-F183 HydrophobicContact CD1-CD1 4.22Å; L147-F183 HydrophobicContact CD1-CE1 4.15Å; L164-F183 HydrophobicContact CD1-CE1 4.4Å; I169-F183 HydrophobicContact CD1-CD1 3.85Å; I169-F183 HydrophobicContact CD1-CE1 3.29Å; I169-F183 HydrophobicContact CD1-CE2 4.42Å; I169-F183 HydrophobicContact CD1-CZ 3.6Å; I169-F183 HydrophobicContact CG1-CE1 4.45Å; I169-F183 HydrophobicContact CG1-CZ 4.46Å; T179-F183 WeakPolarHBondContact O-CB 3.27Å; T179-F183 PolarHBondContact O-N 3.2Å; I180-F183 WeakPolarHBondContact O-CB 3.28Å; I180-F183 PolarHBondContact O-N 3.35Å; K181-F183 PolarHBondContact O-N 2.78Å; F183-L186 PolarHBondContact O-N 3.11Å; F183-K187 HydrophobicContact CD1-CG 4.32Å; F183-K187 HydrophobicContact CD2-CG 4.19Å; F183-K187 HydrophobicContact CE1-CG 3.83Å; F183-K187 HydrophobicContact CE2-CD 4.32Å; F183-K187 HydrophobicContact CE2-CG 3.73Å; F183-K187 HydrophobicContact CG-CG 4.48Å; F183-K187 HydrophobicContact CZ-CD 4.27Å; F183-K187 HydrophobicContact CZ-CG 3.54Å; F183-K187 WeakPolarHBondContact O-CB 3.4Å; F183-K187 WeakPolarHBondContact O-CG 2.98Å; F183-K187 PolarHBondContact O-N 3.06Å
184L91.3Very high89.2Confident0 Ų068.9 Ų68.90%036%0.358CS..Hα-helixtrans-61.3-48.4176.9-75.9166.2000111.5L147 L164 I180 K181 L186 K187 L188 L196 V198 Y233L147-L184 HydrophobicContact CD1-CD2 4.02Å; L147-L184 HydrophobicContact CD1-CG 4.32Å; L164-L184 HydrophobicContact CD1-CD2 3.66Å; L164-L184 HydrophobicContact CD2-CD2 4.43Å; L164-L184 HydrophobicContact CG-CD2 4.2Å; I180-L184 HydrophobicContact CG2-CD1 4.02Å; I180-L184 HydrophobicContact CG2-CG 4.48Å; I180-L184 WeakPolarHBondContact O-CG 3.32Å; I180-L184 PolarHBondContact O-N 3.14Å; K181-L184 PolarHBondContact O-N 2.84Å; L184-L186 VanDerWaalsContact C-N 3.28Å; L184-L186 PolarHBondContact O-N 3.07Å; L184-K187 PolarHBondContact O-N 2.92Å; L184-L188 HydrophobicContact CD2-CD1 4.39Å; L184-L188 VanDerWaalsContact O-CB 3.29Å; L184-L188 WeakPolarHBondContact O-CB 3.39Å; L184-L188 WeakPolarHBondContact O-CG 3.25Å; L184-L188 PolarHBondContact O-N 3.47Å; L184-L196 HydrophobicContact CB-CD1 3.53Å; L184-L196 HydrophobicContact CD1-CD1 4.28Å; L184-V198 HydrophobicContact CD1-CG2 4.23Å; L184-Y233 HydrophobicContact CD1-CD1 4.2Å; L184-Y233 HydrophobicContact CD1-CD2 4.32Å; L184-Y233 HydrophobicContact CD1-CG 3.84Å; L184-Y233 HydrophobicContact CD2-CD1 3.97Å; L184-Y233 HydrophobicContact CD2-CD2 4.14Å; L184-Y233 HydrophobicContact CD2-CE1 3.96Å; L184-Y233 HydrophobicContact CD2-CE2 4.13Å; L184-Y233 HydrophobicContact CD2-CG 4.06Å
185S90.1Very high89Confident33 Ų3367.6 Ų67.623%0.23136%0.358CS..Hα-helixtrans-56.7-42177.1-58.30000112.3K181 K182 K189 L190K181-S185 PolarHBondContact O-N 3.15Å; K181-S185 PolarHBondContact O-OG 3.11Å; K181-S185 VanDerWaalsContact O-OG 3.09Å; K182-S185 PolarHBondContact O-N 3.1Å; S185-K189 WeakPolarHBondContact O-CA 3.26Å; S185-K189 PolarHBondContact O-N 3.14Å; S185-K189 VanDerWaalsContact O-N 3.1Å; S185-L190 PolarHBondContact O-N 3.08Å
186L89.3Confident88.7Confident140 Ų14066.3 Ų66.373%0.73335%0.35SS*.Hα-helixtrans-68.8-45.6177.9-71.7170.9000112.5K182 F183 L184 K189K182-L186 WeakPolarHBondContact O-CG 3.42Å; K182-L186 PolarHBondContact O-N 2.91Å; F183-L186 PolarHBondContact O-N 3.11Å; L184-L186 VanDerWaalsContact C-N 3.28Å; L184-L186 PolarHBondContact O-N 3.07Å; L186-K189 PolarHBondContact O-N 3.24Å
187K88.1Confident88.6Confident134 Ų13465.2 Ų65.258%0.58334%0.342SS*.Hα-helixtrans-70-34.6-177.7-76.1-61.7-173.4-173.90113.2L164 F183 L184 K189L164-K187 HydrophobicContact CD2-CB 3.78Å; F183-K187 HydrophobicContact CD1-CG 4.32Å; F183-K187 HydrophobicContact CD2-CG 4.19Å; F183-K187 HydrophobicContact CE1-CG 3.83Å; F183-K187 HydrophobicContact CE2-CD 4.32Å; F183-K187 HydrophobicContact CE2-CG 3.73Å; F183-K187 HydrophobicContact CG-CG 4.48Å; F183-K187 HydrophobicContact CZ-CD 4.27Å; F183-K187 HydrophobicContact CZ-CG 3.54Å; F183-K187 WeakPolarHBondContact O-CB 3.4Å; F183-K187 WeakPolarHBondContact O-CG 2.98Å; F183-K187 PolarHBondContact O-N 3.06Å; L184-K187 PolarHBondContact O-N 2.92Å; K187-K189 VanDerWaalsContact C-N 3.33Å
188L86.2Confident88.5Confident26 Ų2665.2 Ų65.214%0.13634%0.343CS..THydrogen-bonded Turntrans-89.7-0.1178.4-61.6176.1000112.7V161 T162 L164 L184 L190 Y233V161-L188 HydrophobicContact CG1-CD1 4.04Å; T162-L188 WeakPolarHBondContact O-CD2 3.46Å; L164-L188 HydrophobicContact CD2-CD2 3.79Å; L164-L188 HydrophobicContact CD2-CG 4.11Å; L164-L188 HydrophobicContact CG-CD2 4.44Å; L184-L188 HydrophobicContact CD2-CD1 4.39Å; L184-L188 VanDerWaalsContact O-CB 3.29Å; L184-L188 WeakPolarHBondContact O-CB 3.39Å; L184-L188 WeakPolarHBondContact O-CG 3.25Å; L184-L188 PolarHBondContact O-N 3.47Å; L188-L190 HydrophobicContact CB-CD1 4.04Å; L188-L190 HydrophobicContact CB-CD2 4.26Å; L188-L190 HydrophobicContact CB-CG 3.75Å; L188-L190 HydrophobicContact CD1-CD1 4.21Å; L188-L190 PolarHBondContact O-N 3.29Å; L188-Y233 HydrophobicContact CD1-CD2 4.48Å; L188-Y233 HydrophobicContact CD1-CE2 3.77Å
189K85.8Confident88.5Confident193 Ų19365.1 Ų65.184%0.83934%0.341SS*.THydrogen-bonded Turntrans52.340.7-178.6-57.3-179.2179.41800112.6S185 L186 K187S185-K189 WeakPolarHBondContact O-CA 3.26Å; S185-K189 PolarHBondContact O-N 3.14Å; S185-K189 VanDerWaalsContact O-N 3.1Å; L186-K189 PolarHBondContact O-N 3.24Å; K187-K189 VanDerWaalsContact C-N 3.33Å
190L85.4Confident88.3Confident20 Ų2061.8 Ų61.811%0.10532%0.32CS..  trans-77.5146-178.9-60.8173.3000110.7S160 V161 S185 L188 Y194 L196S160-L190 WeakPolarHBondContact O-CD2 3.44Å; V161-L190 HydrophobicContact CG2-CD1 4.1Å; V161-L190 HydrophobicContact CG2-CD2 4.26Å; S185-L190 PolarHBondContact O-N 3.08Å; L188-L190 HydrophobicContact CB-CD1 4.04Å; L188-L190 HydrophobicContact CB-CD2 4.26Å; L188-L190 HydrophobicContact CB-CG 3.75Å; L188-L190 HydrophobicContact CD1-CD1 4.21Å; L188-L190 PolarHBondContact O-N 3.29Å; L190-Y194 HydrophobicContact CB-CG 4.47Å; L190-Y194 HydrophobicContact CD1-CD1 3.99Å; L190-Y194 HydrophobicContact CD2-CD1 4.5Å; L190-L196 HydrophobicContact CD1-CD1 3.87Å; L190-L196 HydrophobicContact CD1-CD2 3.96Å; L190-L196 HydrophobicContact CD1-CG 4.14Å
191P83.1Confident88Confident73 Ų7364.5 Ų64.547%0.47434%0.335SS..  trans-59153.4172.6-21.632.2000112.1S193 Y194P191-S193 PolarHBondContact O-N 3.18Å; P191-S193 VanDerWaalsContact O-N 3.15Å; P191-Y194 VanDerWaalsContact O-CB 3.25Å; P191-Y194 WeakPolarHBondContact O-CB 3.43Å; P191-Y194 PolarHBondContact O-N 3.22Å
192S77.9Confident87.6Confident136 Ų13664.8 Ų64.895%0.95135%0.351SS*.THydrogen-bonded Turntrans-64.2-18.4178.3570000114.2Y194S192-Y194 VanDerWaalsContact C-N 3.28Å
193S78.6Confident87.5Confident104 Ų10462.9 Ų62.973%0.72734%0.344SS*.THydrogen-bonded Turntrans-80.3-7.7173.358.50000113.3P191P191-S193 PolarHBondContact O-N 3.18Å; P191-S193 VanDerWaalsContact O-N 3.15Å
194Y81.5Confident87.5Confident63 Ų6364.2 Ų64.225%0.24735%0.353CS..  trans-89.6112.6-176.9-147.5-84.5000110.1S160 V161 L190 P191 S192 L196 P235S160-Y194 WeakPolarHBondContact OG-CE2 3.19Å; S160-Y194 PolarHBondContact OG-OH 3.09Å; S160-Y194 VanDerWaalsContact OG-OH 3.12Å; V161-Y194 HydrophobicContact CG2-CD1 4.29Å; V161-Y194 HydrophobicContact CG2-CE1 3.43Å; V161-Y194 VanDerWaalsContact CG2-CE1 3.43Å; L190-Y194 HydrophobicContact CB-CG 4.47Å; L190-Y194 HydrophobicContact CD1-CD1 3.99Å; L190-Y194 HydrophobicContact CD2-CD1 4.5Å; P191-Y194 VanDerWaalsContact O-CB 3.25Å; P191-Y194 WeakPolarHBondContact O-CB 3.43Å; P191-Y194 PolarHBondContact O-N 3.22Å; S192-Y194 VanDerWaalsContact C-N 3.28Å; Y194-L196 HydrophobicContact CD1-CD2 4.18Å; Y194-L196 HydrophobicContact CE1-CD2 4.19Å; Y194-P235 HydrophobicContact CE1-CB 3.76Å; Y194-P235 HydrophobicContact CE1-CG 3.99Å; Y194-P235 WeakPolarHBondContact OH-CB 3.21Å; Y194-P235 VanDerWaalsContact OH-CG 3.25Å; Y194-P235 WeakPolarHBondContact OH-CG 3.22Å
195E85.2Confident87.6Confident104 Ų10464.4 Ų64.449%0.48635%0.354SS..  trans-94.3139.9175.9-64.8-159.1173.800111.2R236E195-R236 HydrophobicContact CB-CB 3.77Å; E195-R236 HydrophobicContact CB-CG 4.41Å; E195-R236 WeakPolarHBondContact O-CB 3.24Å; E195-R236 PolarHBondContact O-N 2.8Å; E195-R236 WeakPolarHBondContact OE2-CD 3.4Å; E195-R236 IonicContact OE2-CZ 3.76Å; E195-R236 IonicContact OE2-NE 3.42Å; E195-R236 IonicContact OE2-NH1 3.64Å; E195-R236 PolarHBondContact OE2-NH1 3.33Å
196L89.3Confident87.7Confident5 Ų564.3 Ų64.33%0.02636%0.358CS..EExtended strand (participates in β ladder)trans-114.3141.8178.3-67.4173.3000109.8V161 K181 L184 L190 Y194 R234V161-L196 HydrophobicContact CG1-CD2 4.5Å; V161-L196 HydrophobicContact CG2-CD2 3.87Å; K181-L196 VanDerWaalsContact CD-O 3.3Å; K181-L196 WeakPolarHBondContact CD-O 3.45Å; K181-L196 WeakPolarHBondContact CE-O 3.25Å; K181-L196 PolarHBondContact NZ-O 3.5Å; L184-L196 HydrophobicContact CB-CD1 3.53Å; L184-L196 HydrophobicContact CD1-CD1 4.28Å; L190-L196 HydrophobicContact CD1-CD1 3.87Å; L190-L196 HydrophobicContact CD1-CD2 3.96Å; L190-L196 HydrophobicContact CD1-CG 4.14Å; Y194-L196 HydrophobicContact CD1-CD2 4.18Å; Y194-L196 HydrophobicContact CE1-CD2 4.19Å; L196-R234 WeakPolarHBondContact CA-O 3.37Å
197D91.9Very high87.8Confident15 Ų1565.2 Ų65.28%0.0835%0.352CS..EExtended strand (participates in β ladder)trans-99.4137163.7-73.2-30.6000109.8K181 L199 I204 Y233 R234K181-D197 IonicContact NZ-OD1 2.64Å; D197-L199 HydrophobicContact CB-CD1 4.14Å; D197-I204 HydrophobicContact CB-CG2 4.41Å; D197-Y233 VanDerWaalsContact O-CA 3.27Å; D197-Y233 WeakPolarHBondContact O-CA 3.38Å; D197-R234 HydrophobicContact CB-CG 4.27Å; D197-R234 PolarHBondContact N-O 2.77Å; D197-R234 PolarHBondContact O-N 2.72Å
198V93.6Very high88.1Confident1 Ų165.2 Ų65.21%0.00636%0.358CS..EExtended strand (participates in β ladder)trans-111.1128.1172.8176.70000106.4V177 I180 K181 L184 M205 L231 E232V177-V198 HydrophobicContact CG1-CB 3.84Å; V177-V198 HydrophobicContact CG1-CG1 4.36Å; V177-V198 HydrophobicContact CG1-CG2 4.1Å; I180-V198 HydrophobicContact CG2-CG2 4.32Å; K181-V198 HydrophobicContact CG-CG2 3.73Å; L184-V198 HydrophobicContact CD1-CG2 4.23Å; V198-M205 PolarHBondContact O-N 3.04Å; V198-L231 HydrophobicContact CG1-CB 4.04Å; V198-L231 HydrophobicContact CG1-CD1 4.21Å; V198-E232 CarbonylContact C-O 3.47Å; V198-E232 VanDerWaalsContact CA-O 3.32Å; V198-E232 WeakPolarHBondContact CA-O 3.42Å
199L93Very high88.5Confident4 Ų466.9 Ų66.92%0.02137%0.365CS..EExtended strand (participates in β ladder)trans-118.3149.4-176.3-57.589.5000110L150 D197 E203 I204 L231 E232 R234L150-L199 HydrophobicContact CD1-CD1 4.25Å; D197-L199 HydrophobicContact CB-CD1 4.14Å; L199-E203 CarbonylContact C-O 3.53Å; L199-E203 WeakPolarHBondContact CA-O 3.34Å; L199-E203 WeakPolarHBondContact CB-O 3.4Å; L199-I204 HydrophobicContact CD2-CG1 4.01Å; L199-I204 HydrophobicContact CG-CG1 4.12Å; L199-L231 CarbonylContact O-C 3.53Å; L199-L231 WeakPolarHBondContact O-CA 3.35Å; L199-E232 HydrophobicContact CB-CB 4.25Å; L199-E232 PolarHBondContact N-O 3.44Å; L199-E232 PolarHBondContact O-N 2.88Å; L199-R234 HydrophobicContact CD1-CG 3.85Å
200C91.6Very high88.9Confident0 Ų059.7 Ų59.70%034%0.338CS..EExtended strand (participates in β ladder)trans-130120.8169.4-177.80000106.7G202 E203 M205 I214 R218 L231C200-G202 PolarHBondContact O-N 2.64Å; C200-E203 PolarHBondContact N-O 2.74Å; C200-E203 PolarHBondContact O-N 2.87Å; C200-E203 VanDerWaalsContact O-N 3.09Å; C200-M205 HydrophobicContact CB-CE 4.17Å; C200-M205 HydrophobicContact CB-CG 3.95Å; C200-M205 HydrophobicContact CB-SD 4.06Å; C200-I214 HydrophobicContact CB-CG2 3.71Å; C200-I214 VanDerWaalsContact SG-CG2 3.51Å; C200-R218 HydrophobicContact CB-CB 4.45Å; C200-L231 HydrophobicContact CB-CD2 3.75Å
201N87.3Confident89.3Confident64 Ų6458.8 Ų58.834%0.34233%0.333SS..THydrogen-bonded Turntrans52.341.1-176.9-61.4-24.9000112.9E203 R218 W219N201-E203 VanDerWaalsContact C-N 3.27Å; N201-E203 PolarHBondContact O-N 2.72Å; N201-R218 PolarHBondContact ND2-O 3.09Å; N201-W219 WeakPolarHBondContact OD1-CZ3 3.31Å
202G85.6Confident89.6Confident53 Ų5359.9 Ų59.955%0.54633%0.331SS..THydrogen-bonded Turntrans77.8-4.1-179.800000116.2C200C200-G202 PolarHBondContact O-N 2.64Å
203E89.8Confident90.3Very high88 Ų8857.4 Ų57.441%0.41130%0.304SS..EExtended strand (participates in β ladder)trans-96.6135.9176.8-65.7-175.6147.800111.7L199 C200 N201 M205 R218L199-E203 CarbonylContact C-O 3.53Å; L199-E203 WeakPolarHBondContact CA-O 3.34Å; L199-E203 WeakPolarHBondContact CB-O 3.4Å; C200-E203 PolarHBondContact N-O 2.74Å; C200-E203 PolarHBondContact O-N 2.87Å; C200-E203 VanDerWaalsContact O-N 3.09Å; N201-E203 VanDerWaalsContact C-N 3.27Å; N201-E203 PolarHBondContact O-N 2.72Å; E203-M205 HydrophobicContact CB-CE 3.59Å; E203-M205 WeakPolarHBondContact O-CE 3.36Å; E203-M205 PolarHBondContact O-N 2.85Å; E203-R218 VanDerWaalsContact CD-NH1 3.31Å; E203-R218 IonicContact OE1-NH1 3.68Å; E203-R218 PolarHBondContact OE1-NH1 3.36Å; E203-R218 VanDerWaalsContact OE1-NH1 3.16Å; E203-R218 WeakPolarHBondContact OE2-CD 3.26Å; E203-R218 IonicContact OE2-CZ 3.15Å; E203-R218 IonicContact OE2-NE 3.54Å; E203-R218 PolarHBondContact OE2-NE 3.26Å; E203-R218 IonicContact OE2-NH1 3.98Å; E203-R218 PolarHBondContact OE2-NH1 2.83Å
204I92.4Very high90.9Very high92 Ų9252.4 Ų52.447%0.47227%0.269SS..EExtended strand (participates in β ladder)trans-73.2127.2178.3-59.3173.3000110.2D197 L199D197-I204 HydrophobicContact CB-CG2 4.41Å; L199-I204 HydrophobicContact CD2-CG1 4.01Å; L199-I204 HydrophobicContact CG-CG1 4.12Å
205M93.6Very high91.2Very high5 Ų551.1 Ų51.13%0.02526%0.264CS..PPolyproline II helixtrans-91.2132.3-179.6-61.3-65.1108.500111.8V177 V198 C200 E203 I214 R218V177-M205 HydrophobicContact CG1-CB 4.35Å; V177-M205 HydrophobicContact CG2-CB 3.73Å; V198-M205 PolarHBondContact O-N 3.04Å; C200-M205 HydrophobicContact CB-CE 4.17Å; C200-M205 HydrophobicContact CB-CG 3.95Å; C200-M205 HydrophobicContact CB-SD 4.06Å; E203-M205 HydrophobicContact CB-CE 3.59Å; E203-M205 WeakPolarHBondContact O-CE 3.36Å; E203-M205 PolarHBondContact O-N 2.85Å; M205-I214 HydrophobicContact CB-CD1 4.16Å; M205-I214 HydrophobicContact CG-CD1 3.94Å; M205-I214 HydrophobicContact CG-CG1 4.3Å; M205-I214 HydrophobicContact SD-CD1 4.13Å; M205-I214 HydrophobicContact SD-CG1 3.82Å; M205-I214 HydrophobicContact SD-CG2 4.13Å; M205-R218 HydrophobicContact CE-CG 4.09Å; M205-R218 HydrophobicContact SD-CG 4.18Å
206G91.8Very high91.2Very high30 Ų3049.6 Ų49.631%0.30926%0.258SS..PPolyproline II helixtrans-66.6150.8176.900000112.4V177 D208 H209V177-G206 VanDerWaalsContact CB-O 3.3Å; V177-G206 WeakPolarHBondContact CB-O 3.31Å; G206-D208 PolarHBondContact O-N 3.39Å; G206-D208 VanDerWaalsContact O-N 3.15Å; G206-H209 PolarHBondContact N-CE1 3.01Å; G206-H209 PolarHBondContact N-ND1 3.19Å; G206-H209 WeakPolarHBondContact O-CB 3.44Å; G206-H209 PolarHBondContact O-N 3.37Å; G206-H209 VanDerWaalsContact O-N 3.13Å
207R92.4Very high91Very high160 Ų16051.5 Ų51.560%0.60427%0.27SS*.THydrogen-bonded Turntrans-56.1-33.5-175.5-175.7177.9175.2162.8-4.7113.6G178G178-R207 PolarHBondContact N-O 3.13Å
208D93.7Very high90.7Very high134 Ų13455.4 Ų55.472%0.71728%0.283SS*.THydrogen-bonded Turntrans-95-1.7-174.3-53-44.5000113.1G206 T210G206-D208 PolarHBondContact O-N 3.39Å; G206-D208 VanDerWaalsContact O-N 3.15Å; D208-T210 PolarHBondContact O-N 3.15Å
209H94.4Very high90.2Very high60 Ų6056.1 Ų56.128%0.27829%0.286SS..  trans-66.4128174.6-66.6176.2000110.2T176 V177 G206 F213 I214T176-H209 CarbonylContact C-O 3.51Å; T176-H209 VanDerWaalsContact CA-O 3.26Å; T176-H209 WeakPolarHBondContact CA-O 3.29Å; V177-H209 HydrophobicContact CG2-CB 4.06Å; V177-H209 PolarHBondContact N-O 2.82Å; G206-H209 PolarHBondContact N-CE1 3.01Å; G206-H209 PolarHBondContact N-ND1 3.19Å; G206-H209 WeakPolarHBondContact O-CB 3.44Å; G206-H209 PolarHBondContact O-N 3.37Å; G206-H209 VanDerWaalsContact O-N 3.13Å; H209-F213 HydrophobicContact CB-CD1 4.02Å; H209-F213 AromaticContact CD2-CE1 3.9Å; H209-F213 AromaticContact CE1-CE1 3.91Å; H209-F213 AromaticContact CG-CD1 3.85Å; H209-F213 AromaticContact CG-CE1 3.9Å; H209-F213 AromaticContact ND1-CE1 3.9Å; H209-F213 AromaticContact NE2-CE1 3.93Å; H209-I214 HydrophobicContact CB-CD1 4.09Å; H209-I214 HydrophobicContact CB-CG1 4.02Å
210T94.9Very high89.4Confident43 Ų4361.6 Ų61.626%0.26431%0.306SS..BIsolated β-bridgetrans-79.5156.2171.661.90000110.9V175 T176 D208 E212 F213 I214V175-T210 CarbonylContact O-C 3.46Å; V175-T210 WeakPolarHBondContact O-CA 3.41Å; T176-T210 HydrophobicContact CG2-CG2 4.17Å; D208-T210 PolarHBondContact O-N 3.15Å; T210-E212 PolarHBondContact O-N 3.05Å; T210-F213 PolarHBondContact O-N 3.37Å; T210-F213 VanDerWaalsContact O-N 3.16Å; T210-F213 WeakPolarHBondContact OG1-CB 3.41Å; T210-F213 PolarHBondContact OG1-N 3.36Å; T210-F213 VanDerWaalsContact OG1-N 3.14Å; T210-I214 WeakPolarHBondContact O-CG1 3.3Å; T210-I214 PolarHBondContact O-N 2.91Å
211L93.7Very high88.3Confident0 Ų067.7 Ų67.70%034%0.338CS..Hα-helixtrans-60.7-35.3174.9-65.5-177.7000111.8I143 I145 C171 S173 V175 I180 I214 Y215 M229 L231I143-L211 HydrophobicContact CG2-CB 3.89Å; I143-L211 HydrophobicContact CG2-CD1 3.7Å; I143-L211 HydrophobicContact CG2-CG 4.47Å; I145-L211 HydrophobicContact CD1-CD1 4.05Å; I145-L211 HydrophobicContact CD1-CD2 4.32Å; I145-L211 HydrophobicContact CG2-CD1 4.01Å; I145-L211 HydrophobicContact CG2-CD2 4.25Å; C171-L211 WeakPolarHBondContact SG-CD1 3.48Å; S173-L211 PolarHBondContact O-N 3.45Å; V175-L211 HydrophobicContact CB-CD1 3.94Å; V175-L211 HydrophobicContact CB-CG 4.23Å; V175-L211 HydrophobicContact CG1-CD1 4.2Å; V175-L211 HydrophobicContact CG1-CG 4.46Å; V175-L211 WeakPolarHBondContact O-CG 3.2Å; V175-L211 PolarHBondContact O-N 3.3Å; I180-L211 HydrophobicContact CG1-CD2 4.34Å; L211-I214 PolarHBondContact O-N 2.84Å; L211-Y215 VanDerWaalsContact O-CB 3.31Å; L211-Y215 WeakPolarHBondContact O-CB 3.35Å; L211-Y215 PolarHBondContact O-N 3.07Å; L211-M229 HydrophobicContact CB-CE 4.09Å; L211-M229 HydrophobicContact CD2-CE 3.95Å; L211-L231 HydrophobicContact CD2-CD1 3.75Å
212E90.4Very high87.2Confident96 Ų9669.9 Ų69.945%0.44935%0.346SS..Hα-helixtrans-60.1-48.1172.2-174.2171.1-143.600112S173 T210 I214 Y215 M216S173-E212 PolarHBondContact O-N 2.86Å; T210-E212 PolarHBondContact O-N 3.05Å; E212-I214 VanDerWaalsContact C-N 3.33Å; E212-I214 PolarHBondContact O-N 3.45Å; E212-Y215 PolarHBondContact O-N 2.85Å; E212-M216 HydrophobicContact CG-CG 4.24Å; E212-M216 WeakPolarHBondContact O-CB 3.32Å; E212-M216 WeakPolarHBondContact O-CG 3.48Å; E212-M216 PolarHBondContact O-N 3.16Å
213F90.7Very high85.5Confident84 Ų8471.4 Ų71.437%0.36836%0.362SS..Hα-helixtrans-59.8-45.4178.7173.3-96.5000111.3H209 T210 M216 T217H209-F213 HydrophobicContact CB-CD1 4.02Å; H209-F213 AromaticContact CD2-CE1 3.9Å; H209-F213 AromaticContact CE1-CE1 3.91Å; H209-F213 AromaticContact CG-CD1 3.85Å; H209-F213 AromaticContact CG-CE1 3.9Å; H209-F213 AromaticContact ND1-CE1 3.9Å; H209-F213 AromaticContact NE2-CE1 3.93Å; T210-F213 PolarHBondContact O-N 3.37Å; T210-F213 VanDerWaalsContact O-N 3.16Å; T210-F213 WeakPolarHBondContact OG1-CB 3.41Å; T210-F213 PolarHBondContact OG1-N 3.36Å; T210-F213 VanDerWaalsContact OG1-N 3.14Å; F213-M216 PolarHBondContact O-N 2.91Å; F213-T217 HydrophobicContact CD2-CG2 3.93Å; F213-T217 HydrophobicContact CE2-CG2 3.67Å; F213-T217 HydrophobicContact CZ-CG2 4.05Å; F213-T217 WeakPolarHBondContact O-CB 3.38Å; F213-T217 WeakPolarHBondContact O-CG2 3.45Å; F213-T217 PolarHBondContact O-N 2.89Å; F213-T217 PolarHBondContact O-OG1 3.26Å
214I91.2Very high84.2Confident0 Ų074 Ų740%037%0.374CS..Hα-helixtrans-62.9-45.2178.5-62.3168.7000110.2V177 C200 M205 H209 T210 L211 E212 M216 T217 R218 W219 M229 L231V177-I214 HydrophobicContact CG2-CD1 3.43Å; V177-I214 VanDerWaalsContact CG2-CD1 3.43Å; C200-I214 HydrophobicContact CB-CG2 3.71Å; C200-I214 VanDerWaalsContact SG-CG2 3.51Å; M205-I214 HydrophobicContact CB-CD1 4.16Å; M205-I214 HydrophobicContact CG-CD1 3.94Å; M205-I214 HydrophobicContact CG-CG1 4.3Å; M205-I214 HydrophobicContact SD-CD1 4.13Å; M205-I214 HydrophobicContact SD-CG1 3.82Å; M205-I214 HydrophobicContact SD-CG2 4.13Å; H209-I214 HydrophobicContact CB-CD1 4.09Å; H209-I214 HydrophobicContact CB-CG1 4.02Å; T210-I214 WeakPolarHBondContact O-CG1 3.3Å; T210-I214 PolarHBondContact O-N 2.91Å; L211-I214 PolarHBondContact O-N 2.84Å; E212-I214 VanDerWaalsContact C-N 3.33Å; E212-I214 PolarHBondContact O-N 3.45Å; I214-M216 VanDerWaalsContact C-N 3.34Å; I214-M216 PolarHBondContact O-N 3.04Å; I214-T217 PolarHBondContact O-N 2.95Å; I214-R218 HydrophobicContact CG2-CB 4.33Å; I214-R218 WeakPolarHBondContact O-CA 3.02Å; I214-R218 WeakPolarHBondContact O-CB 3.01Å; I214-R218 PolarHBondContact O-N 3.15Å; I214-W219 PolarHBondContact O-N 3.31Å; I214-M229 HydrophobicContact CB-CE 4.45Å; I214-M229 HydrophobicContact CB-SD 4.26Å; I214-M229 HydrophobicContact CG2-CE 4.38Å; I214-M229 HydrophobicContact CG2-SD 3.81Å; I214-L231 HydrophobicContact CG2-CD2 4.03Å
215Y88.4Confident82.6Confident36 Ų3673.1 Ų73.114%0.14137%0.37CS..Iπ-helixtrans-58.4-47.5177.5-177.5-96.6000111.5I143 L211 E212 W219 R220 M229I143-Y215 HydrophobicContact CD1-CD2 3.91Å; I143-Y215 HydrophobicContact CD1-CG 3.98Å; L211-Y215 VanDerWaalsContact O-CB 3.31Å; L211-Y215 WeakPolarHBondContact O-CB 3.35Å; L211-Y215 PolarHBondContact O-N 3.07Å; E212-Y215 PolarHBondContact O-N 2.85Å; Y215-W219 HydrophobicContact CD2-CB 4.25Å; Y215-W219 AromaticContact CD2-CD1 3.71Å; Y215-W219 HydrophobicContact CD2-CG 4.26Å; Y215-W219 AromaticContact CE2-CD1 3.72Å; Y215-R220 HydrophobicContact CE1-CB 4.44Å; Y215-R220 WeakPolarHBondContact O-CB 3.44Å; Y215-R220 WeakPolarHBondContact O-CG 3.32Å; Y215-R220 PolarHBondContact O-N 2.91Å; Y215-M229 HydrophobicContact CD2-CB 4.36Å; Y215-M229 HydrophobicContact CD2-SD 4.21Å
216M84.9Confident81.4Confident71 Ų7175.9 Ų75.935%0.3539%0.387SS..Iπ-helixtrans-74.7-25.8-174.9-67-67.7-86.300113.9E212 F213 I214 R220E212-M216 HydrophobicContact CG-CG 4.24Å; E212-M216 WeakPolarHBondContact O-CB 3.32Å; E212-M216 WeakPolarHBondContact O-CG 3.48Å; E212-M216 PolarHBondContact O-N 3.16Å; F213-M216 PolarHBondContact O-N 2.91Å; I214-M216 VanDerWaalsContact C-N 3.34Å; I214-M216 PolarHBondContact O-N 3.04Å; M216-R220 PolarHBondContact O-NE 3.11Å; M216-R220 PolarHBondContact O-NH2 2.83Å; M216-R220 VanDerWaalsContact SD-CZ 3.56Å; M216-R220 PolarHBondContact SD-NH1 3.48Å; M216-R220 VanDerWaalsContact SD-NH1 3.36Å
217T86.3Confident80.5Confident46 Ų4675.2 Ų75.228%0.28238%0.376SS..Iπ-helixtrans-111.2-29.3-173.361.80000114.2F213 I214 L221F213-T217 HydrophobicContact CD2-CG2 3.93Å; F213-T217 HydrophobicContact CE2-CG2 3.67Å; F213-T217 HydrophobicContact CZ-CG2 4.05Å; F213-T217 WeakPolarHBondContact O-CB 3.38Å; F213-T217 WeakPolarHBondContact O-CG2 3.45Å; F213-T217 PolarHBondContact O-N 2.89Å; F213-T217 PolarHBondContact O-OG1 3.26Å; I214-T217 PolarHBondContact O-N 2.95Å; T217-L221 VanDerWaalsContact O-CD1 3.22Å; T217-L221 WeakPolarHBondContact O-CD1 3.12Å
218R85.8Confident80.2Confident96 Ų9668 Ų6836%0.36235%0.35SS..Iπ-helixtrans-117.1-37.8-173.5-53.9-54.1177.9163.2-7.4112.9C200 N201 E203 M205 I214C200-R218 HydrophobicContact CB-CB 4.45Å; N201-R218 PolarHBondContact ND2-O 3.09Å; E203-R218 VanDerWaalsContact CD-NH1 3.31Å; E203-R218 IonicContact OE1-NH1 3.68Å; E203-R218 PolarHBondContact OE1-NH1 3.36Å; E203-R218 VanDerWaalsContact OE1-NH1 3.16Å; E203-R218 WeakPolarHBondContact OE2-CD 3.26Å; E203-R218 IonicContact OE2-CZ 3.15Å; E203-R218 IonicContact OE2-NE 3.54Å; E203-R218 PolarHBondContact OE2-NE 3.26Å; E203-R218 IonicContact OE2-NH1 3.98Å; E203-R218 PolarHBondContact OE2-NH1 2.83Å; M205-R218 HydrophobicContact CE-CG 4.09Å; M205-R218 HydrophobicContact SD-CG 4.18Å; I214-R218 HydrophobicContact CG2-CB 4.33Å; I214-R218 WeakPolarHBondContact O-CA 3.02Å; I214-R218 WeakPolarHBondContact O-CB 3.01Å; I214-R218 PolarHBondContact O-N 3.15Å
219W82.4Confident80Confident17 Ų1761.7 Ų61.76%0.06432%0.316CS..Iπ-helixtrans-84.7-58.2-174.1-166.1-103.7000113.3N201 I214 Y215 L221 H222 T226 M229 V230N201-W219 WeakPolarHBondContact OD1-CZ3 3.31Å; I214-W219 PolarHBondContact O-N 3.31Å; Y215-W219 HydrophobicContact CD2-CB 4.25Å; Y215-W219 AromaticContact CD2-CD1 3.71Å; Y215-W219 HydrophobicContact CD2-CG 4.26Å; Y215-W219 AromaticContact CE2-CD1 3.72Å; W219-L221 PolarHBondContact O-N 3.43Å; W219-L221 VanDerWaalsContact O-N 3.11Å; W219-H222 WeakPolarHBondContact O-CB 3.26Å; W219-H222 PolarHBondContact O-N 3.18Å; W219-T226 WeakPolarHBondContact CZ2-O 3.35Å; W219-T226 WeakPolarHBondContact CZ2-OG1 3.34Å; W219-T226 PolarHBondContact NE1-O 3.13Å; W219-M229 HydrophobicContact CB-CG 4.06Å; W219-M229 HydrophobicContact CB-SD 3.85Å; W219-M229 HydrophobicContact CD2-CB 4.01Å; W219-M229 HydrophobicContact CD2-CG 3.57Å; W219-M229 VanDerWaalsContact CE2-CA 3.48Å; W219-M229 HydrophobicContact CE3-CG 3.88Å; W219-M229 HydrophobicContact CG-CB 4Å; W219-M229 HydrophobicContact CG-CG 3.62Å; W219-M229 HydrophobicContact CG-SD 4.06Å; W219-V230 HydrophobicContact CH2-CB 3.42Å; W219-V230 VanDerWaalsContact CH2-CB 3.42Å; W219-V230 HydrophobicContact CH2-CG2 3.58Å; W219-V230 HydrophobicContact CZ2-CB 4.27Å; W219-V230 HydrophobicContact CZ2-CG2 4.07Å; W219-V230 VanDerWaalsContact CZ2-N 3.31Å; W219-V230 HydrophobicContact CZ3-CB 3.85Å; W219-V230 HydrophobicContact CZ3-CG2 4.49Å; W219-V230 WeakPolarHBondContact CZ3-O 3.37Å
220R77.1Confident79.9Confident118 Ų11860.7 Ų60.745%0.44531%0.314SS..THydrogen-bonded Turntrans-66.1-17.6-173.374.8174.9176.8171.8-5.2114.8Y215 M216 H222Y215-R220 HydrophobicContact CE1-CB 4.44Å; Y215-R220 WeakPolarHBondContact O-CB 3.44Å; Y215-R220 WeakPolarHBondContact O-CG 3.32Å; Y215-R220 PolarHBondContact O-N 2.91Å; M216-R220 PolarHBondContact O-NE 3.11Å; M216-R220 PolarHBondContact O-NH2 2.83Å; M216-R220 VanDerWaalsContact SD-CZ 3.56Å; M216-R220 PolarHBondContact SD-NH1 3.48Å; M216-R220 VanDerWaalsContact SD-NH1 3.36Å; R220-H222 VanDerWaalsContact C-N 3.26Å
221L67.7Low79.8Confident129 Ų12958.7 Ų58.768%0.67530%0.302SS*.THydrogen-bonded Turntrans-79.6-13.3178.3-61.7-175.1000111.9T217 W219T217-L221 VanDerWaalsContact O-CD1 3.22Å; T217-L221 WeakPolarHBondContact O-CD1 3.12Å; W219-L221 PolarHBondContact O-N 3.43Å; W219-L221 VanDerWaalsContact O-N 3.11Å
222H63.2Low79.8Confident110 Ų11061.4 Ų61.451%0.50932%0.315SS..SBendtrans-78.9129.2175.7-148.1-98.7000109.3W219 R220 E224W219-H222 WeakPolarHBondContact O-CB 3.26Å; W219-H222 PolarHBondContact O-N 3.18Å; R220-H222 VanDerWaalsContact C-N 3.26Å; H222-E224 CarbonylContact O-C 3.6Å; H222-E224 PolarHBondContact O-N 2.83Å
223G51.2Low79.9Confident85 Ų8556.9 Ų56.988%0.87629%0.293SS*.SBendtrans-61.2-9.1-167.400000116.2
224E61.3Low79.9Confident142 Ų14255.9 Ų55.966%0.66429%0.287SS*.SBendtrans-108.894.1168.1-62.8-172.4158.800107.9H222 T226H222-E224 CarbonylContact O-C 3.6Å; H222-E224 PolarHBondContact O-N 2.83Å; E224-T226 HydrophobicContact CB-CG2 4.05Å; E224-T226 PolarHBondContact O-N 3.36Å; E224-T226 PolarHBondContact O-OG1 3.36Å
225N59.9Low79.7Confident73 Ų7357.5 Ų57.539%0.3930%0.298SS..  trans-7062.5176.2-169.930.2000110.7Q103Q103-N225 PolarHBondContact NE2-O 3.14Å
226T68.2Low79.5Confident63 Ų6361.4 Ų61.439%0.38731%0.312SS..  trans-75.6131.8-18052.30000108.6W219 E224W219-T226 WeakPolarHBondContact CZ2-O 3.35Å; W219-T226 WeakPolarHBondContact CZ2-OG1 3.34Å; W219-T226 PolarHBondContact NE1-O 3.13Å; E224-T226 HydrophobicContact CB-CG2 4.05Å; E224-T226 PolarHBondContact O-N 3.36Å; E224-T226 PolarHBondContact O-OG1 3.36Å
227Y72.4Confident79.1Confident16 Ų1661.4 Ų61.46%0.06331%0.313CS..SBendtrans-117.9141.2173.8-175.5-99.9000107.1W99 N102 Q103 P104 A144W99-Y227 HydrophobicContact CB-CD1 3.92Å; W99-Y227 WeakPolarHBondContact CB-O 3.43Å; W99-Y227 HydrophobicContact CD2-CD1 4.22Å; W99-Y227 HydrophobicContact CD2-CE1 4.38Å; W99-Y227 AromaticContact CE3-CD1 3.62Å; W99-Y227 HydrophobicContact CE3-CD1 3.62Å; W99-Y227 AromaticContact CE3-CE1 3.37Å; W99-Y227 HydrophobicContact CE3-CE1 3.37Å; W99-Y227 HydrophobicContact CG-CD1 4.39Å; W99-Y227 HydrophobicContact CZ3-CD1 4.43Å; W99-Y227 AromaticContact CZ3-CE1 3.79Å; W99-Y227 HydrophobicContact CZ3-CE1 3.79Å; W99-Y227 WeakPolarHBondContact O-CD1 3.3Å; N102-Y227 WeakPolarHBondContact O-CE1 3.45Å; Q103-Y227 HydrophobicContact CG-CD1 4.45Å; Q103-Y227 HydrophobicContact CG-CG 4.07Å; P104-Y227 HydrophobicContact CG-CE2 3.96Å; A144-Y227 HydrophobicContact CB-CE1 4.01Å; A144-Y227 HydrophobicContact CB-CE2 4.27Å; A144-Y227 WeakPolarHBondContact CB-OH 3.46Å; A144-Y227 PolarHBondContact N-OH 3.42Å; A144-Y227 VanDerWaalsContact N-OH 3.15Å
228P86.6Confident78.3Confident10 Ų1064.5 Ų64.57%0.06533%0.328CS..SBendcis-73.5163.31.631.1-34.4000114.1W99 A144 C146 F168 V230W99-P228 HydrophobicContact CD2-CG 4.42Å; W99-P228 HydrophobicContact CZ2-CG 4.41Å; A144-P228 HydrophobicContact CB-CB 3.88Å; A144-P228 VanDerWaalsContact O-CB 3.27Å; A144-P228 WeakPolarHBondContact O-CB 3.46Å; C146-P228 HydrophobicContact CB-CG 4.29Å; F168-P228 HydrophobicContact CD1-CG 3.7Å; F168-P228 HydrophobicContact CE1-CG 3.65Å; P228-V230 PolarHBondContact O-N 2.94Å
229M89.9Confident76.9Confident0 Ų069 Ų690%035%0.35CS..EExtended strand (participates in β ladder)trans-65.2122.4176.6171.5173.57300110.6I143 A144 I145 C146 L211 I214 Y215 W219 L231I143-M229 HydrophobicContact CD1-CE 3.94Å; A144-M229 PolarHBondContact O-N 2.67Å; I145-M229 CarbonylContact C-O 3.59Å; I145-M229 WeakPolarHBondContact CA-O 3.3Å; I145-M229 HydrophobicContact CG2-CB 4.33Å; I145-M229 HydrophobicContact CG2-CE 3.59Å; C146-M229 PolarHBondContact N-O 2.91Å; L211-M229 HydrophobicContact CB-CE 4.09Å; L211-M229 HydrophobicContact CD2-CE 3.95Å; I214-M229 HydrophobicContact CB-CE 4.45Å; I214-M229 HydrophobicContact CB-SD 4.26Å; I214-M229 HydrophobicContact CG2-CE 4.38Å; I214-M229 HydrophobicContact CG2-SD 3.81Å; Y215-M229 HydrophobicContact CD2-CB 4.36Å; Y215-M229 HydrophobicContact CD2-SD 4.21Å; W219-M229 HydrophobicContact CB-CG 4.06Å; W219-M229 HydrophobicContact CB-SD 3.85Å; W219-M229 HydrophobicContact CD2-CB 4.01Å; W219-M229 HydrophobicContact CD2-CG 3.57Å; W219-M229 VanDerWaalsContact CE2-CA 3.48Å; W219-M229 HydrophobicContact CE3-CG 3.88Å; W219-M229 HydrophobicContact CG-CB 4Å; W219-M229 HydrophobicContact CG-CG 3.62Å; W219-M229 HydrophobicContact CG-SD 4.06Å; M229-L231 HydrophobicContact CE-CD1 4.49Å; M229-L231 HydrophobicContact CE-CD2 4.38Å; M229-L231 HydrophobicContact CG-CD2 4.34Å; M229-L231 HydrophobicContact SD-CD2 4.47Å
230V91.6Very high74.9Confident40 Ų4075.3 Ų75.324%0.24242%0.42CS..EExtended strand (participates in β ladder)trans-89.5124.3-179.4-172.80000109.6C146 D148 W219 P228C146-V230 HydrophobicContact CB-CB 4.46Å; C146-V230 HydrophobicContact CB-CG1 4.38Å; C146-V230 HydrophobicContact CB-CG2 4.1Å; D148-V230 HydrophobicContact CB-CG1 4.42Å; D148-V230 WeakPolarHBondContact OD2-CG1 3.17Å; W219-V230 HydrophobicContact CH2-CB 3.42Å; W219-V230 VanDerWaalsContact CH2-CB 3.42Å; W219-V230 HydrophobicContact CH2-CG2 3.58Å; W219-V230 HydrophobicContact CZ2-CB 4.27Å; W219-V230 HydrophobicContact CZ2-CG2 4.07Å; W219-V230 VanDerWaalsContact CZ2-N 3.31Å; W219-V230 HydrophobicContact CZ3-CB 3.85Å; W219-V230 HydrophobicContact CZ3-CG2 4.49Å; W219-V230 WeakPolarHBondContact CZ3-O 3.37Å; P228-V230 PolarHBondContact O-N 2.94Å
231L93.8Very high74.7Confident0 Ų073.2 Ų73.20%042%0.419CS..EExtended strand (participates in β ladder)trans-113.8131.6168.3-57.3178.7000108.3I145 C146 L147 D148 V198 L199 C200 L211 I214 M229I145-L231 HydrophobicContact CD1-CD1 4.27Å; C146-L231 PolarHBondContact O-N 3.46Å; L147-L231 VanDerWaalsContact CA-O 3.32Å; L147-L231 WeakPolarHBondContact CA-O 3.17Å; L147-L231 HydrophobicContact CD2-CB 3.97Å; L147-L231 HydrophobicContact CD2-CD1 4.41Å; D148-L231 PolarHBondContact N-O 3.35Å; V198-L231 HydrophobicContact CG1-CB 4.04Å; V198-L231 HydrophobicContact CG1-CD1 4.21Å; L199-L231 CarbonylContact O-C 3.53Å; L199-L231 WeakPolarHBondContact O-CA 3.35Å; C200-L231 HydrophobicContact CB-CD2 3.75Å; L211-L231 HydrophobicContact CD2-CD1 3.75Å; I214-L231 HydrophobicContact CG2-CD2 4.03Å; M229-L231 HydrophobicContact CE-CD1 4.49Å; M229-L231 HydrophobicContact CE-CD2 4.38Å; M229-L231 HydrophobicContact CG-CD2 4.34Å; M229-L231 HydrophobicContact SD-CD2 4.47Å
232E93.3Very high75.1Confident58 Ų5870.2 Ų70.227%0.27141%0.405SS..EExtended strand (participates in β ladder)trans-96146.4177.9-67.2172.1140.300109.3D148 L150 V198 L199D148-E232 CarbonylContact O-C 3.56Å; D148-E232 VanDerWaalsContact O-CA 3.28Å; D148-E232 WeakPolarHBondContact O-CA 3.03Å; L150-E232 HydrophobicContact CD1-CB 3.57Å; L150-E232 HydrophobicContact CD1-CG 4.19Å; L150-E232 HydrophobicContact CG-CB 3.8Å; L150-E232 HydrophobicContact CG-CG 4.13Å; V198-E232 CarbonylContact C-O 3.47Å; V198-E232 VanDerWaalsContact CA-O 3.32Å; V198-E232 WeakPolarHBondContact CA-O 3.42Å; L199-E232 HydrophobicContact CB-CB 4.25Å; L199-E232 PolarHBondContact N-O 3.44Å; L199-E232 PolarHBondContact O-N 2.88Å
233Y92.6Very high75.8Confident1 Ų168 Ų680%0.00440%0.4CS..EExtended strand (participates in β ladder)trans-130.7147.617365.3-84000112.1L147 D148 C149 L150 V161 T162 L164 L184 L188 D197L147-Y233 HydrophobicContact CB-CD1 4.25Å; L147-Y233 HydrophobicContact CB-CE1 4.1Å; D148-Y233 WeakPolarHBondContact O-CD1 3.35Å; D148-Y233 WeakPolarHBondContact O-CE1 3.37Å; D148-Y233 PolarHBondContact O-N 3.22Å; C149-Y233 HydrophobicContact CB-CE1 4.13Å; C149-Y233 HydrophobicContact CB-CE2 3.9Å; C149-Y233 WeakPolarHBondContact CB-OH 3.44Å; L150-Y233 PolarHBondContact N-O 2.71Å; V161-Y233 HydrophobicContact CG1-CD2 3.77Å; V161-Y233 HydrophobicContact CG1-CE2 3.49Å; V161-Y233 VanDerWaalsContact CG1-CE2 3.49Å; T162-Y233 PolarHBondContact O-OH 3.42Å; T162-Y233 VanDerWaalsContact O-OH 3.09Å; L164-Y233 HydrophobicContact CD1-CE1 4.46Å; L164-Y233 PolarHBondContact N-OH 2.92Å; L184-Y233 HydrophobicContact CD1-CD1 4.2Å; L184-Y233 HydrophobicContact CD1-CD2 4.32Å; L184-Y233 HydrophobicContact CD1-CG 3.84Å; L184-Y233 HydrophobicContact CD2-CD1 3.97Å; L184-Y233 HydrophobicContact CD2-CD2 4.14Å; L184-Y233 HydrophobicContact CD2-CE1 3.96Å; L184-Y233 HydrophobicContact CD2-CE2 4.13Å; L184-Y233 HydrophobicContact CD2-CG 4.06Å; L188-Y233 HydrophobicContact CD1-CD2 4.48Å; L188-Y233 HydrophobicContact CD1-CE2 3.77Å; D197-Y233 VanDerWaalsContact O-CA 3.27Å; D197-Y233 WeakPolarHBondContact O-CA 3.38Å
234R89.6Confident77.2Confident62 Ų6267 Ų6723%0.23437%0.371CS..EExtended strand (participates in β ladder)trans-150161.6176.465.6-179.8-173.1-167-1111.3L150 L196 D197 L199 R236L150-R234 HydrophobicContact CB-CB 4.21Å; L196-R234 WeakPolarHBondContact CA-O 3.37Å; D197-R234 HydrophobicContact CB-CG 4.27Å; D197-R234 PolarHBondContact N-O 2.77Å; D197-R234 PolarHBondContact O-N 2.72Å; L199-R234 HydrophobicContact CD1-CG 3.85Å; R234-R236 PolarHBondContact O-N 3.5Å
235P87.4Confident78.2Confident35 Ų3562.3 Ų62.323%0.22735%0.353CS..EExtended strand (participates in β ladder)trans-52.3136.5164.6-22.332.1000110.9V161 Y194 I237V161-P235 HydrophobicContact CB-CG 4.19Å; V161-P235 HydrophobicContact CG2-CG 3.74Å; Y194-P235 HydrophobicContact CE1-CB 3.76Å; Y194-P235 HydrophobicContact CE1-CG 3.99Å; Y194-P235 WeakPolarHBondContact OH-CB 3.21Å; Y194-P235 VanDerWaalsContact OH-CG 3.25Å; Y194-P235 WeakPolarHBondContact OH-CG 3.22Å; P235-I237 PolarHBondContact O-N 3.24Å
236R83.5Confident79.4Confident117 Ų11761.6 Ų61.644%0.44235%0.351SS..  trans-61.8131.2171.9-177.9178.6169.4163.93.7108.8E195 R234 D238E195-R236 HydrophobicContact CB-CB 3.77Å; E195-R236 HydrophobicContact CB-CG 4.41Å; E195-R236 WeakPolarHBondContact O-CB 3.24Å; E195-R236 PolarHBondContact O-N 2.8Å; E195-R236 WeakPolarHBondContact OE2-CD 3.4Å; E195-R236 IonicContact OE2-CZ 3.76Å; E195-R236 IonicContact OE2-NE 3.42Å; E195-R236 IonicContact OE2-NH1 3.64Å; E195-R236 PolarHBondContact OE2-NH1 3.33Å; R234-R236 PolarHBondContact O-N 3.5Å; R236-D238 IonicContact CZ-OD1 3.21Å; R236-D238 IonicContact NE-OD1 3.16Å; R236-D238 PolarHBondContact NE-OD1 2.84Å; R236-D238 IonicContact NH2-OD1 2.67Å; R236-D238 PolarHBondContact NH2-OD1 2.67Å
237I77.9Confident80.3Confident71 Ų7161.5 Ų61.536%0.36435%0.348SS..  trans-104.5104.9176.8-55.5172.8000106.7P235 F239P235-I237 PolarHBondContact O-N 3.24Å; I237-F239 HydrophobicContact CG2-CE1 4.49Å; I237-F239 HydrophobicContact CG2-CE2 4.32Å; I237-F239 HydrophobicContact CG2-CZ 4.24Å; I237-F239 PolarHBondContact O-N 3.16Å
238D69.8Low80.9Confident112 Ų11265 Ų6560%0.59937%0.37SS*.  trans-81113.2170.3-66.1-41000108.5R236 G240R236-D238 IonicContact CZ-OD1 3.21Å; R236-D238 IonicContact NE-OD1 3.16Å; R236-D238 PolarHBondContact NE-OD1 2.84Å; R236-D238 IonicContact NH2-OD1 2.67Å; R236-D238 PolarHBondContact NH2-OD1 2.67Å; D238-G240 PolarHBondContact O-N 3.37Å
239F56.1Low80.4Confident191 Ų19169.6 Ų69.684%0.83840%0.396SS*.  trans-75.8100.4165.8-65.6-81.7000107.2I237I237-F239 HydrophobicContact CG2-CE1 4.49Å; I237-F239 HydrophobicContact CG2-CE2 4.32Å; I237-F239 HydrophobicContact CG2-CZ 4.24Å; I237-F239 PolarHBondContact O-N 3.16Å
240G39Very low79.5Confident148 Ų14875.9 Ų75.9100%1.52643%0.432SS*.  trans-69.20168.800000112.6D238D238-G240 PolarHBondContact O-N 3.37Å

Retrieved 240 of 240 residues in 536.1 ms (Link to these results)

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