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Sex-determining region Y protein

Transcriptional regulator that controls a genetic switch in male development. It is necessary and sufficient for initiating male sex determination by directing the development of supporting cell precursors (pre-Sertoli cells) as Sertoli rather than granulosa cells. Involved in different aspects of gene regulation including promoter activation or repression. Binds to the DNA consensus sequence 5'-[AT]AACAA[AT]-3'. SRY HMG box recognizes DNA by partial intercalation in the minor groove and promotes DNA bending. Also involved in pre-mRNA splicing. In male adult brain involved in the maintenance of motor functions of dopaminergic neurons.

AlphaFold DB , UniProt , Accession A0A077ZKG9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 159 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
1M40Very low51Low243 Ų243108.4 Ų108.4100%1.19765%0.648SS**  0107.90-73.6178.8157.300107.4D3M1-D3 PolarHBondContact O-N 3.17Å
2S49.8Very low51.6Low114 Ų114107.4 Ų107.480%0.79763%0.632SS**  trans-67106.8-174.9-54.40000109.8K4S2-K4 VanDerWaalsContact C-N 3.3Å; S2-K4 PolarHBondContact O-N 2.95Å
3D53Low52.2Low143 Ų143101 Ų10177%0.76559%0.593SS**  trans-64.489.9175.9-168.84.4000109.1M1 S5M1-D3 PolarHBondContact O-N 3.17Å; D3-S5 PolarHBondContact O-N 2.89Å
4K57.1Low52.8Low117 Ų117108.9 Ų108.951%0.50961%0.607SS.*  trans-76.971.6170.9-71.3179-178.7-79.50107.4S2S2-K4 VanDerWaalsContact C-N 3.3Å; S2-K4 PolarHBondContact O-N 2.95Å
5S46.1Very low53.6Low71 Ų71116.1 Ų116.150%0.49762%0.622SS.*  trans-47.4126.2163.1-82.80000108.4D3 T7D3-S5 PolarHBondContact O-N 2.89Å; S5-T7 VanDerWaalsContact C-N 3.31Å; S5-T7 PolarHBondContact O-N 2.82Å; S5-T7 PolarHBondContact O-OG1 3.02Å
6P55.9Low54.6Low67 Ų67110.5 Ų110.544%0.43559%0.591SS.*  trans-65.194.1-177.723.7-30.1000108.9A8P6-A8 PolarHBondContact O-N 3Å; P6-A8 VanDerWaalsContact O-N 3.1Å
7T52.1Low55.4Low104 Ų104107.2 Ų107.264%0.63858%0.583SS**  trans-57.9116.2-172.8-35.90000109.4S5 H9S5-T7 VanDerWaalsContact C-N 3.31Å; S5-T7 PolarHBondContact O-N 2.82Å; S5-T7 PolarHBondContact O-OG1 3.02Å; T7-H9 PolarHBondContact O-CD2 3.03Å; T7-H9 PolarHBondContact O-N 3.4Å
8A50.4Low56.3Low76 Ų76111.8 Ų111.863%0.62860%0.597SS**SBendtrans46.2-6.1146.100000122.6P6 G10 T11P6-A8 PolarHBondContact O-N 3Å; P6-A8 VanDerWaalsContact O-N 3.1Å; A8-G10 PolarHBondContact O-N 3.06Å; A8-T11 PolarHBondContact O-N 3.15Å
9H53.2Low57.6Low89 Ų89107.6 Ų107.641%0.41258%0.577SS.*THydrogen-bonded Turntrans-75.8-8-172.7-61.2-65.4000114.2T7 T11 Q12T7-H9 PolarHBondContact O-CD2 3.03Å; T7-H9 PolarHBondContact O-N 3.4Å; H9-T11 VanDerWaalsContact C-N 3.25Å; H9-T11 PolarHBondContact O-N 3.27Å; H9-Q12 PolarHBondContact O-N 3.41Å
10G50.7Low58.8Low52 Ų52108 Ų10854%0.53659%0.589SS.*Hα-helixtrans-61.8-32.2175.100000113.3A8 Q12A8-G10 PolarHBondContact O-N 3.06Å; G10-Q12 VanDerWaalsContact C-N 3.32Å; G10-Q12 PolarHBondContact O-N 2.98Å
11T52.4Low60Low116 Ų116105.1 Ų105.171%0.71258%0.575SS**Hα-helixtrans-73.2-26.9-179.2-46.10000112.2A8 H9A8-T11 PolarHBondContact O-N 3.15Å; H9-T11 VanDerWaalsContact C-N 3.25Å; H9-T11 PolarHBondContact O-N 3.27Å
12Q58.2Low62Low97 Ų9794 Ų9445%0.45352%0.52SS..Hα-helixtrans-71.6-38.9-171.9-167.3162.9-2.600112.4H9 G10 R14 R15 L16H9-Q12 PolarHBondContact O-N 3.41Å; G10-Q12 VanDerWaalsContact C-N 3.32Å; G10-Q12 PolarHBondContact O-N 2.98Å; Q12-R14 VanDerWaalsContact C-N 3.3Å; Q12-R14 PolarHBondContact O-N 3.1Å; Q12-R15 PolarHBondContact O-N 3.1Å; Q12-L16 HydrophobicContact CG-CD1 4.31Å; Q12-L16 WeakPolarHBondContact O-CG 3.32Å
13L60.1Low63.7Low24 Ų2488.6 Ų88.613%0.12648%0.482CS..Hα-helixtrans-63.9-33.1-178.2-69.7170.3000112.8R15 L16 A26 R88 E91 L92 F95L13-R15 VanDerWaalsContact C-N 3.35Å; L13-R15 PolarHBondContact O-N 3.13Å; L13-L16 PolarHBondContact O-N 3.22Å; L13-A26 HydrophobicContact CD2-CB 3.75Å; L13-R88 HydrophobicContact CD1-CB 4.04Å; L13-R88 HydrophobicContact CD1-CG 3.89Å; L13-E91 HydrophobicContact CD1-CB 4.11Å; L13-L92 HydrophobicContact CD2-CD2 4.25Å; L13-L92 HydrophobicContact CD2-CG 4.42Å; L13-F95 HydrophobicContact CB-CE2 4.14Å; L13-F95 HydrophobicContact CD2-CD2 4.29Å; L13-F95 HydrophobicContact CD2-CE2 3.8Å; L13-F95 VanDerWaalsContact O-CZ 3.25Å; L13-F95 WeakPolarHBondContact O-CZ 3.47Å
14R60.4Low65.3Low212 Ų21283.4 Ų83.480%0.846%0.456SS*.Hα-helixtrans-66.2-36-179.3-165.3-175.8-177-159.51.2112.5Q12 L16Q12-R14 VanDerWaalsContact C-N 3.3Å; Q12-R14 PolarHBondContact O-N 3.1Å; R14-L16 VanDerWaalsContact C-N 3.28Å; R14-L16 PolarHBondContact O-N 3.24Å
15R65.1Low66.5Low217 Ų21780.9 Ų80.982%0.81945%0.448SS*.Hα-helixtrans-68-32.2178.2-164.7178.5-160170.96.1111.9Q12 L13 A17Q12-R15 PolarHBondContact O-N 3.1Å; L13-R15 VanDerWaalsContact C-N 3.35Å; L13-R15 PolarHBondContact O-N 3.13Å; R15-A17 VanDerWaalsContact C-N 3.31Å; R15-A17 PolarHBondContact O-N 2.95Å
16L69.2Low68.3Low26 Ų2678.9 Ų78.914%0.13644%0.436CS..Hα-helixtrans-77.4-16.9-174.1-61176.8000113.5Q12 L13 R14 F18 S19 P22 D25 A26 F95Q12-L16 HydrophobicContact CG-CD1 4.31Å; Q12-L16 WeakPolarHBondContact O-CG 3.32Å; L13-L16 PolarHBondContact O-N 3.22Å; R14-L16 VanDerWaalsContact C-N 3.28Å; R14-L16 PolarHBondContact O-N 3.24Å; L16-F18 PolarHBondContact O-N 3.06Å; L16-F18 VanDerWaalsContact O-N 3.1Å; L16-S19 PolarHBondContact O-N 3.04Å; L16-S19 VanDerWaalsContact O-N 3.07Å; L16-S19 PolarHBondContact O-OG 3.21Å; L16-P22 WeakPolarHBondContact O-CB 3.47Å; L16-D25 HydrophobicContact CD1-CB 4.47Å; L16-D25 HydrophobicContact CD2-CB 3.78Å; L16-A26 VanDerWaalsContact CD1-CA 3.41Å; L16-A26 HydrophobicContact CD1-CB 3.63Å; L16-F95 HydrophobicContact CB-CE2 4.43Å
17A68Low69.5Low54 Ų5475.7 Ų75.745%0.44642%0.415SS..THydrogen-bonded Turntrans-61.2-19.6178.600000114R15 F95R15-A17 VanDerWaalsContact C-N 3.31Å; R15-A17 PolarHBondContact O-N 2.95Å; A17-F95 HydrophobicContact CB-CE1 3.88Å; A17-F95 HydrophobicContact CB-CZ 4.05Å
18F72.4Confident70.9Confident190 Ų19079 Ų7983%0.83342%0.421SS*.THydrogen-bonded Turntrans-97.2-4.3178.7-61.9-77.6000113.9L16L16-F18 PolarHBondContact O-N 3.06Å; L16-F18 VanDerWaalsContact O-N 3.1Å
19S79.9Confident72Confident32 Ų3278.7 Ų78.722%0.22441%0.408CS..SBendtrans-75.2153.917666.20000110.8L16 T21 P22 D25L16-S19 PolarHBondContact O-N 3.04Å; L16-S19 VanDerWaalsContact O-N 3.07Å; L16-S19 PolarHBondContact O-OG 3.21Å; S19-T21 PolarHBondContact O-N 3.3Å; S19-P22 VanDerWaalsContact OG-CA 3.23Å; S19-P22 WeakPolarHBondContact OG-CA 3.49Å; S19-D25 WeakPolarHBondContact CB-OD2 3.41Å; S19-D25 PolarHBondContact OG-OD2 3.45Å
20S81.1Confident72.9Confident116 Ų11683.2 Ų83.281%0.81143%0.43SS*.SBendtrans-65.2-21.8174.349.40000112.8
21T84.6Confident73.9Confident48 Ų4882.1 Ų82.129%0.29441%0.412SS..SBendtrans-131.566-177.150.60000111.4S19 Y23 T24 D25 E99S19-T21 PolarHBondContact O-N 3.3Å; T21-Y23 VanDerWaalsContact C-N 3.29Å; T21-Y23 PolarHBondContact O-N 3.11Å; T21-T24 PolarHBondContact O-N 3.09Å; T21-D25 WeakPolarHBondContact O-CB 3.3Å; T21-D25 VanDerWaalsContact O-CG 3.23Å; T21-D25 PolarHBondContact O-N 3.19Å; T21-D25 PolarHBondContact OG1-OD1 3.28Å; T21-E99 WeakPolarHBondContact CA-OE2 3.42Å; T21-E99 WeakPolarHBondContact CB-OE1 3.43Å
22P82.2Confident75Confident9 Ų981.8 Ų81.86%0.05841%0.406CS..Hα-helixtrans-64.4-28.2-168.327.9-36.8000114L16 S19 A26 F95 E99L16-P22 WeakPolarHBondContact O-CB 3.47Å; S19-P22 VanDerWaalsContact OG-CA 3.23Å; S19-P22 WeakPolarHBondContact OG-CA 3.49Å; P22-A26 VanDerWaalsContact O-CB 3.23Å; P22-A26 WeakPolarHBondContact O-CB 3.23Å; P22-A26 PolarHBondContact O-N 2.87Å; P22-F95 HydrophobicContact CB-CB 4.01Å; P22-F95 HydrophobicContact CB-CD1 3.97Å; P22-F95 HydrophobicContact CB-CD2 4.33Å; P22-F95 HydrophobicContact CB-CG 3.87Å; P22-F95 HydrophobicContact CG-CB 4.21Å; P22-F95 HydrophobicContact CG-CG 4.5Å; P22-E99 HydrophobicContact CG-CB 4.48Å
23Y85.6Confident75.6Confident0 Ų084 Ų840%043%0.427CS..Hα-helixtrans-81.7-44.2177.1175.4-95.7000111.7T21 D25 A26 T27 V31 P37 R38 P39 L92 H96 E99 F100T21-Y23 VanDerWaalsContact C-N 3.29Å; T21-Y23 PolarHBondContact O-N 3.11Å; Y23-D25 VanDerWaalsContact C-N 3.31Å; Y23-D25 PolarHBondContact O-N 2.95Å; Y23-A26 PolarHBondContact O-N 3.25Å; Y23-T27 HydrophobicContact CD2-CG2 4.08Å; Y23-T27 HydrophobicContact CE1-CG2 4.2Å; Y23-T27 HydrophobicContact CE2-CG2 3.66Å; Y23-T27 WeakPolarHBondContact O-CB 3.42Å; Y23-T27 WeakPolarHBondContact O-CG2 3.43Å; Y23-T27 PolarHBondContact O-N 2.66Å; Y23-T27 PolarHBondContact O-OG1 3.01Å; Y23-V31 HydrophobicContact CE1-CG2 4.49Å; Y23-P37 HydrophobicContact CE1-CG 4.39Å; Y23-R38 PolarHBondContact OH-O 3.21Å; Y23-P39 HydrophobicContact CE2-CB 3.99Å; Y23-P39 WeakPolarHBondContact OH-CA 3.46Å; Y23-L92 HydrophobicContact CD2-CD2 4.26Å; Y23-L92 HydrophobicContact CE2-CD2 4.48Å; Y23-H96 HydrophobicContact CD2-CB 3.62Å; Y23-H96 AromaticContact CE1-CD2 3.9Å; Y23-H96 HydrophobicContact CE2-CB 4Å; Y23-H96 AromaticContact CE2-CD2 3.81Å; Y23-H96 HydrophobicContact CG-CB 4.06Å; Y23-H96 AromaticContact CZ-CD2 3.71Å; Y23-E99 WeakPolarHBondContact CA-OE2 3.08Å; Y23-E99 WeakPolarHBondContact CB-OE2 3.23Å; Y23-E99 PolarHBondContact N-OE2 3.1Å; Y23-F100 AromaticContact CD1-CE2 3.85Å; Y23-F100 HydrophobicContact CD1-CE2 3.85Å; Y23-F100 HydrophobicContact CE1-CE2 4.48Å
24T85.8Confident76.6Confident34 Ų3492.2 Ų92.221%0.20946%0.464CS..Hα-helixtrans-60.1-44.8177.5-62.40000110.5T21 A26 T27 K28 E99T21-T24 PolarHBondContact O-N 3.09Å; T24-A26 PolarHBondContact O-N 3.15Å; T24-T27 PolarHBondContact O-N 3.33Å; T24-K28 WeakPolarHBondContact O-CA 3.28Å; T24-K28 PolarHBondContact O-N 3.43Å; T24-E99 WeakPolarHBondContact CB-OE1 3.39Å; T24-E99 PolarHBondContact N-OE2 2.97Å; T24-E99 VanDerWaalsContact N-OE2 3.09Å; T24-E99 PolarHBondContact OG1-OE1 2.92Å
25D84.1Confident77.8Confident64 Ų6491.5 Ų91.534%0.34246%0.462SS..Hα-helixtrans-65.5-39.6178.8-68.18.2000112.1L16 S19 T21 Y23L16-D25 HydrophobicContact CD1-CB 4.47Å; L16-D25 HydrophobicContact CD2-CB 3.78Å; S19-D25 WeakPolarHBondContact CB-OD2 3.41Å; S19-D25 PolarHBondContact OG-OD2 3.45Å; T21-D25 WeakPolarHBondContact O-CB 3.3Å; T21-D25 VanDerWaalsContact O-CG 3.23Å; T21-D25 PolarHBondContact O-N 3.19Å; T21-D25 PolarHBondContact OG1-OD1 3.28Å; Y23-D25 VanDerWaalsContact C-N 3.31Å; Y23-D25 PolarHBondContact O-N 2.95Å
26A82.3Confident79.1Confident29 Ų2983.2 Ų83.224%0.2443%0.433CS..Hα-helixtrans-70.7-32.7-179.900000113L13 L16 P22 Y23 T24 L92 F95L13-A26 HydrophobicContact CD2-CB 3.75Å; L16-A26 VanDerWaalsContact CD1-CA 3.41Å; L16-A26 HydrophobicContact CD1-CB 3.63Å; P22-A26 VanDerWaalsContact O-CB 3.23Å; P22-A26 WeakPolarHBondContact O-CB 3.23Å; P22-A26 PolarHBondContact O-N 2.87Å; Y23-A26 PolarHBondContact O-N 3.25Å; T24-A26 PolarHBondContact O-N 3.15Å; A26-L92 HydrophobicContact CB-CD2 3.57Å; A26-F95 HydrophobicContact CB-CD2 4.28Å
27T82.4Confident80.2Confident1 Ų184 Ų841%0.00644%0.44CS..Hα-helixtrans-94.9-19.5-176.760.10000113.5Y23 T24 L29 M40 K48 L92Y23-T27 HydrophobicContact CD2-CG2 4.08Å; Y23-T27 HydrophobicContact CE1-CG2 4.2Å; Y23-T27 HydrophobicContact CE2-CG2 3.66Å; Y23-T27 WeakPolarHBondContact O-CB 3.42Å; Y23-T27 WeakPolarHBondContact O-CG2 3.43Å; Y23-T27 PolarHBondContact O-N 2.66Å; Y23-T27 PolarHBondContact O-OG1 3.01Å; T24-T27 PolarHBondContact O-N 3.33Å; T27-L29 PolarHBondContact O-N 3.35Å; T27-M40 HydrophobicContact CG2-CE 3.92Å; T27-K48 PolarHBondContact O-NZ 3.38Å; T27-L92 HydrophobicContact CG2-CD2 3.89Å
28K81.1Confident81.4Confident172 Ų17288.8 Ų88.875%0.74845%0.446SS*.THydrogen-bonded Turntrans51.328.1-169.8-55.1-176.1-178.8-175.40112.6T24T24-K28 WeakPolarHBondContact O-CA 3.28Å; T24-K28 PolarHBondContact O-N 3.43Å
29L73.7Confident82.5Confident70 Ų7081.4 Ų81.437%0.36642%0.418SS..  trans-93.6131.4177.1-66.4174.5000107.9T27 V31T27-L29 PolarHBondContact O-N 3.35Å; L29-V31 PolarHBondContact O-N 3.47Å
30Q71.7Confident83.1Confident185 Ų18581.5 Ų81.586%0.86442%0.415SS*.  trans-68.6105.2167.4-68.2179.9-1000107.6N32Q30-N32 PolarHBondContact O-N 3.03Å
31V72.5Confident83.9Confident28 Ų2880 Ų8017%0.1740%0.398CS..  trans-81.2106.1173.9-178.60000107.1Y23 L29 T33 I36 P37 F100Y23-V31 HydrophobicContact CE1-CG2 4.49Å; L29-V31 PolarHBondContact O-N 3.47Å; V31-T33 PolarHBondContact O-N 3.01Å; V31-I36 HydrophobicContact CG1-CG1 4.38Å; V31-P37 HydrophobicContact CG2-CG 4.37Å; V31-F100 HydrophobicContact CB-CZ 4.42Å; V31-F100 HydrophobicContact CG1-CE1 4.36Å; V31-F100 HydrophobicContact CG1-CZ 3.87Å; V31-F100 HydrophobicContact CG2-CZ 4.33Å
32N74.6Confident84.5Confident110 Ų11079 Ų7959%0.58839%0.393SS*.  trans-64.9128.6168.3-67.612.8000108Q30 E34 R35Q30-N32 PolarHBondContact O-N 3.03Å; N32-E34 PolarHBondContact O-N 3.1Å; N32-R35 CarbonylContact O-C 3.45Å; N32-R35 PolarHBondContact O-N 3.05Å
33T71.8Confident85.2Confident143 Ų14380.7 Ų80.788%0.87740%0.399SS*.THydrogen-bonded Turntrans-53.6-29.2-176.8-48.80000113V31V31-T33 PolarHBondContact O-N 3.01Å
34E81.1Confident85.7Confident196 Ų19685.2 Ų85.292%0.91642%0.422SS*.THydrogen-bonded Turntrans-72.6-26.9178.9-62.8-177174.300114.4N32N32-E34 PolarHBondContact O-N 3.1Å
35R85.6Confident86.1Confident197 Ų19784.6 Ų84.674%0.74342%0.417SS*.  trans-145.497.4-171-171.7-171.2169.6101.61.7111.9N32 P37N32-R35 CarbonylContact O-C 3.45Å; N32-R35 PolarHBondContact O-N 3.05Å; R35-P37 WeakPolarHBondContact O-CD 3.29Å
36I90.8Very high86.6Confident44 Ų4481.7 Ų81.723%0.22640%0.401CS..PPolyproline II helixtrans-71.8122.3173.6-59.3158.9000109.9V31 H96 F100 Y103V31-I36 HydrophobicContact CG1-CG1 4.38Å; I36-H96 VanDerWaalsContact CG2-NE2 3.32Å; I36-H96 WeakPolarHBondContact CG2-NE2 3.48Å; I36-F100 HydrophobicContact CD1-CB 3.99Å; I36-F100 HydrophobicContact CD1-CD1 3.53Å; I36-F100 HydrophobicContact CD1-CE1 4.18Å; I36-F100 HydrophobicContact CD1-CG 3.79Å; I36-F100 HydrophobicContact CG1-CD1 3.86Å; I36-F100 HydrophobicContact CG1-CE1 4.03Å; I36-F100 HydrophobicContact CG1-CG 4.18Å; I36-F100 HydrophobicContact CG1-CZ 4.48Å; I36-F100 HydrophobicContact CG2-CB 4.44Å; I36-F100 HydrophobicContact CG2-CD1 4.35Å; I36-F100 HydrophobicContact CG2-CD2 3.61Å; I36-F100 HydrophobicContact CG2-CE2 3.89Å; I36-F100 HydrophobicContact CG2-CG 3.87Å; I36-F100 HydrophobicContact CG2-CZ 4.38Å; I36-Y103 HydrophobicContact CB-CD2 3.8Å; I36-Y103 HydrophobicContact CB-CE2 4.08Å; I36-Y103 HydrophobicContact CD1-CD2 4.29Å; I36-Y103 HydrophobicContact CG2-CD2 3.6Å; I36-Y103 HydrophobicContact CG2-CE2 3.89Å; I36-Y103 HydrophobicContact CG2-CG 4.42Å
37P92Very high87.3Confident43 Ų4380.4 Ų80.428%0.27939%0.391SS..PPolyproline II helixtrans-75158.2177.131.6-34.8000111.6Y23 V31 R35 H96Y23-P37 HydrophobicContact CE1-CG 4.39Å; V31-P37 HydrophobicContact CG2-CG 4.37Å; R35-P37 WeakPolarHBondContact O-CD 3.29Å; P37-H96 PolarHBondContact O-NE2 3.01Å; P37-H96 VanDerWaalsContact O-NE2 3.11Å
38R94.2Very high87.8Confident153 Ų15385.8 Ų85.858%0.57741%0.414SS*.PPolyproline II helixtrans-67.8144.7175.2-52.1-176-161.1-169.510.3110.4Y23 M40 Y105Y23-R38 PolarHBondContact OH-O 3.21Å; R38-M40 PolarHBondContact O-N 2.93Å; R38-Y105 VanDerWaalsContact CZ-OH 3.23Å; R38-Y105 VanDerWaalsContact NH1-CZ 3.33Å; R38-Y105 PolarHBondContact NH1-OH 2.99Å; R38-Y105 PolarHBondContact NH2-OH 2.9Å
39P94.8Very high88.4Confident36 Ų3681.7 Ų81.723%0.23440%0.397CS..PPolyproline II helixtrans-63.1137.7170.826.5-32.7000110.5Y23 N41 R93 H96Y23-P39 HydrophobicContact CE2-CB 3.99Å; Y23-P39 WeakPolarHBondContact OH-CA 3.46Å; P39-N41 PolarHBondContact O-N 3.31Å; P39-R93 HydrophobicContact CB-CG 4.18Å; P39-R93 HydrophobicContact CG-CG 4.06Å; P39-H96 HydrophobicContact CB-CB 4.11Å; P39-H96 HydrophobicContact CG-CB 4.42Å
40M93.8Very high89.4Confident34 Ų3479.1 Ų79.117%0.16738%0.384CS..PPolyproline II helixtrans-64.9127.2177.8-70.8-175-75.700110.4T27 R38 M44 L45 K48T27-M40 HydrophobicContact CG2-CE 3.92Å; R38-M40 PolarHBondContact O-N 2.93Å; M40-M44 HydrophobicContact CB-CB 4.05Å; M40-M44 HydrophobicContact CG-CB 4.26Å; M40-L45 HydrophobicContact CB-CD2 3.87Å; M40-L45 HydrophobicContact CB-CG 3.99Å; M40-L45 HydrophobicContact CE-CD2 3.69Å; M40-L45 HydrophobicContact SD-CD2 4.13Å; M40-K48 HydrophobicContact CE-CD 4.44Å; M40-K48 HydrophobicContact SD-CD 4.24Å
41N97.1Very high90.6Very high83 Ų8373.6 Ų73.644%0.44436%0.355SS..  trans-74.8177.1170.172.910.3000111P39 F43 M44 L45P39-N41 PolarHBondContact O-N 3.31Å; N41-F43 PolarHBondContact O-N 3.17Å; N41-F43 PolarHBondContact OD1-N 2.99Å; N41-M44 PolarHBondContact O-N 2.97Å; N41-M44 WeakPolarHBondContact OD1-CB 3.48Å; N41-M44 WeakPolarHBondContact OD1-CG 3.5Å; N41-M44 PolarHBondContact OD1-N 2.93Å; N41-L45 WeakPolarHBondContact O-CG 3.05Å; N41-L45 PolarHBondContact O-N 3.03Å
42S96.5Very high91.7Very high29 Ų2975.8 Ų75.820%0.20337%0.37CS..Hα-helixtrans-56.5-46.3-177.948.90000113.4L45 W46S42-L45 PolarHBondContact O-N 3.18Å; S42-W46 PolarHBondContact O-N 3.4Å
43F97Very high92.8Very high43 Ų4373.3 Ų73.319%0.18935%0.352CS..Hα-helixtrans-62.7-44.8177.2170.6-103.1000112N41 L45 W46 A47 L70 W74N41-F43 PolarHBondContact O-N 3.17Å; N41-F43 PolarHBondContact OD1-N 2.99Å; F43-L45 VanDerWaalsContact C-N 3.28Å; F43-L45 PolarHBondContact O-N 2.96Å; F43-W46 AromaticContact CD2-CE3 3.95Å; F43-W46 HydrophobicContact CD2-CE3 3.95Å; F43-W46 HydrophobicContact CD2-CZ3 4.13Å; F43-W46 AromaticContact CE2-CE3 3.99Å; F43-W46 HydrophobicContact CE2-CE3 3.99Å; F43-W46 AromaticContact CE2-CZ3 3.74Å; F43-W46 HydrophobicContact CE2-CZ3 3.74Å; F43-W46 PolarHBondContact O-N 2.8Å; F43-A47 HydrophobicContact CE1-CB 4.26Å; F43-A47 HydrophobicContact CE2-CB 4.41Å; F43-A47 HydrophobicContact CZ-CB 4.17Å; F43-A47 WeakPolarHBondContact O-CB 3.47Å; F43-A47 PolarHBondContact O-N 3.33Å; F43-L70 HydrophobicContact CE2-CB 4.4Å; F43-L70 HydrophobicContact CZ-CB 4.32Å; F43-W74 HydrophobicContact CB-CD2 4.46Å; F43-W74 HydrophobicContact CD2-CB 3.83Å; F43-W74 AromaticContact CD2-CD1 3.99Å; F43-W74 AromaticContact CD2-CD2 3.92Å; F43-W74 HydrophobicContact CD2-CD2 3.92Å; F43-W74 HydrophobicContact CD2-CE3 4.4Å; F43-W74 AromaticContact CD2-CG 3.62Å; F43-W74 HydrophobicContact CD2-CG 3.62Å; F43-W74 HydrophobicContact CE2-CB 3.96Å; F43-W74 HydrophobicContact CE2-CG 4.26Å
44M96.6Very high93.9Very high96 Ų9666.5 Ų66.547%0.47331%0.31SS..Hα-helixtrans-64.6-33.4-179.1-69.4-64.3174.600112.1M40 N41 K48M40-M44 HydrophobicContact CB-CB 4.05Å; M40-M44 HydrophobicContact CG-CB 4.26Å; N41-M44 PolarHBondContact O-N 2.97Å; N41-M44 WeakPolarHBondContact OD1-CB 3.48Å; N41-M44 WeakPolarHBondContact OD1-CG 3.5Å; N41-M44 PolarHBondContact OD1-N 2.93Å; M44-K48 WeakPolarHBondContact O-CB 3.38Å; M44-K48 PolarHBondContact O-N 3.1Å; M44-K48 VanDerWaalsContact O-N 3.08Å
45L93.8Very high94.6Very high20 Ų2064.7 Ų64.711%0.10530%0.295CS..Hα-helixtrans-65-50.8173.7-69.6169.3000111.9M40 N41 S42 F43 K48 Y85 R88 A89 L92M40-L45 HydrophobicContact CB-CD2 3.87Å; M40-L45 HydrophobicContact CB-CG 3.99Å; M40-L45 HydrophobicContact CE-CD2 3.69Å; M40-L45 HydrophobicContact SD-CD2 4.13Å; N41-L45 WeakPolarHBondContact O-CG 3.05Å; N41-L45 PolarHBondContact O-N 3.03Å; S42-L45 PolarHBondContact O-N 3.18Å; F43-L45 VanDerWaalsContact C-N 3.28Å; F43-L45 PolarHBondContact O-N 2.96Å; L45-K48 WeakPolarHBondContact O-CB 3.3Å; L45-K48 PolarHBondContact O-N 3.32Å; L45-Y85 HydrophobicContact CB-CD1 4.1Å; L45-R88 HydrophobicContact CD1-CB 3.92Å; L45-A89 HydrophobicContact CD1-CB 3.79Å; L45-L92 HydrophobicContact CD1-CD1 3.85Å; L45-L92 HydrophobicContact CD2-CD1 3.41Å; L45-L92 VanDerWaalsContact CD2-CD1 3.41Å; L45-L92 HydrophobicContact CG-CD1 4.17Å
46W95.7Very high95.2Very high4 Ų461 Ų612%0.01530%0.295CS..Hα-helixtrans-63.2-45.5177.8169.776.3000111.8S42 F43 K48 E49 E50 L70 E73 W74 Y85S42-W46 PolarHBondContact O-N 3.4Å; F43-W46 AromaticContact CD2-CE3 3.95Å; F43-W46 HydrophobicContact CD2-CE3 3.95Å; F43-W46 HydrophobicContact CD2-CZ3 4.13Å; F43-W46 AromaticContact CE2-CE3 3.99Å; F43-W46 HydrophobicContact CE2-CE3 3.99Å; F43-W46 AromaticContact CE2-CZ3 3.74Å; F43-W46 HydrophobicContact CE2-CZ3 3.74Å; F43-W46 PolarHBondContact O-N 2.8Å; W46-K48 PolarHBondContact O-N 3.16Å; W46-E49 PolarHBondContact O-N 3.02Å; W46-E49 VanDerWaalsContact O-N 3.09Å; W46-E50 HydrophobicContact CD2-CB 4.45Å; W46-E50 HydrophobicContact CH2-CB 4.45Å; W46-E50 HydrophobicContact CH2-CG 4.2Å; W46-E50 HydrophobicContact CZ2-CB 4.06Å; W46-E50 HydrophobicContact CZ2-CG 3.68Å; W46-E50 PolarHBondContact O-N 2.66Å; W46-L70 HydrophobicContact CH2-CB 4.13Å; W46-L70 HydrophobicContact CH2-CD2 3.7Å; W46-L70 WeakPolarHBondContact CH2-O 3.43Å; W46-L70 HydrophobicContact CZ2-CD2 4.46Å; W46-L70 HydrophobicContact CZ3-CB 3.87Å; W46-L70 HydrophobicContact CZ3-CD2 3.91Å; W46-L70 HydrophobicContact CZ3-CG 4.48Å; W46-L70 WeakPolarHBondContact CZ3-O 3.49Å; W46-E73 HydrophobicContact CH2-CB 3.81Å; W46-E73 HydrophobicContact CZ2-CB 4.08Å; W46-W74 HydrophobicContact CB-CE3 3.95Å; W46-W74 HydrophobicContact CB-CZ3 3.54Å; W46-W74 AromaticContact CD2-CE3 3.58Å; W46-W74 HydrophobicContact CD2-CE3 3.58Å; W46-W74 HydrophobicContact CD2-CZ3 4.08Å; W46-W74 HydrophobicContact CE3-CB 4.13Å; W46-W74 HydrophobicContact CE3-CD2 4.31Å; W46-W74 AromaticContact CE3-CE3 3.6Å; W46-W74 HydrophobicContact CE3-CE3 3.6Å; W46-W74 HydrophobicContact CE3-CZ3 4.39Å; W46-W74 AromaticContact CG-CE3 3.74Å; W46-W74 HydrophobicContact CG-CE3 3.74Å; W46-W74 AromaticContact CG-CZ3 3.71Å; W46-W74 HydrophobicContact CG-CZ3 3.71Å; W46-W74 HydrophobicContact CH2-CB 4.17Å; W46-W74 HydrophobicContact CZ3-CB 3.74Å; W46-W74 HydrophobicContact CZ3-CE3 4.35Å; W46-Y85 HydrophobicContact CB-CD1 3.82Å; W46-Y85 HydrophobicContact CB-CD2 4.02Å; W46-Y85 HydrophobicContact CB-CE1 3.83Å; W46-Y85 HydrophobicContact CB-CE2 4.03Å; W46-Y85 HydrophobicContact CB-CG 3.92Å; W46-Y85 AromaticContact CD1-CE2 3.53Å; W46-Y85 AromaticContact CD1-CZ 3.56Å; W46-Y85 HydrophobicContact CG-CD2 4.43Å; W46-Y85 HydrophobicContact CG-CE2 4.11Å
47A96.1Very high95.4Very high2 Ų263.9 Ų63.92%0.01731%0.307CS..Hα-helixtrans-63.3-26.6179.800000112.9F43 E49 R51 L70F43-A47 HydrophobicContact CE1-CB 4.26Å; F43-A47 HydrophobicContact CE2-CB 4.41Å; F43-A47 HydrophobicContact CZ-CB 4.17Å; F43-A47 WeakPolarHBondContact O-CB 3.47Å; F43-A47 PolarHBondContact O-N 3.33Å; A47-E49 VanDerWaalsContact C-N 3.34Å; A47-R51 WeakPolarHBondContact O-CB 3.4Å; A47-R51 PolarHBondContact O-N 3.31Å; A47-L70 HydrophobicContact CB-CD1 4.23Å
48K94.1Very high95.6Very high114 Ų11466.4 Ų66.450%0.49631%0.312SS..Hα-helixtrans-63.5-41174.3-175.8179.1178.7-1800111.5T27 M40 M44 L45 W46 P52T27-K48 PolarHBondContact O-NZ 3.38Å; M40-K48 HydrophobicContact CE-CD 4.44Å; M40-K48 HydrophobicContact SD-CD 4.24Å; M44-K48 WeakPolarHBondContact O-CB 3.38Å; M44-K48 PolarHBondContact O-N 3.1Å; M44-K48 VanDerWaalsContact O-N 3.08Å; L45-K48 WeakPolarHBondContact O-CB 3.3Å; L45-K48 PolarHBondContact O-N 3.32Å; W46-K48 PolarHBondContact O-N 3.16Å; K48-P52 WeakPolarHBondContact O-CD 3.13Å
49E93.4Very high95.7Very high85 Ų8563.5 Ų63.540%0.39731%0.313SS..Hα-helixtrans-76.8-38.4178.8-63.8168.5-17200111.4W46 A47 P52 Y85 R88W46-E49 PolarHBondContact O-N 3.02Å; W46-E49 VanDerWaalsContact O-N 3.09Å; A47-E49 VanDerWaalsContact C-N 3.34Å; E49-P52 WeakPolarHBondContact O-CD 3.19Å; E49-Y85 WeakPolarHBondContact OE2-CE1 3.18Å; E49-Y85 PolarHBondContact OE2-OH 2.97Å; E49-R88 IonicContact OE1-NH1 3.54Å
50E95.1Very high95.8Very high17 Ų1769.8 Ų69.88%0.07934%0.339CS..Hα-helixtrans-85.5-29.2-171.2-158.172.1178.400113.6W46 R53 V54 L70W46-E50 HydrophobicContact CD2-CB 4.45Å; W46-E50 HydrophobicContact CH2-CB 4.45Å; W46-E50 HydrophobicContact CH2-CG 4.2Å; W46-E50 HydrophobicContact CZ2-CB 4.06Å; W46-E50 HydrophobicContact CZ2-CG 3.68Å; W46-E50 PolarHBondContact O-N 2.66Å; E50-R53 VanDerWaalsContact O-CB 3.3Å; E50-R53 WeakPolarHBondContact O-CB 3.48Å; E50-R53 PolarHBondContact O-N 2.76Å; E50-R53 IonicContact OE1-CZ 3.99Å; E50-R53 IonicContact OE1-NE 2.99Å; E50-R53 PolarHBondContact OE1-NE 2.9Å; E50-R53 IonicContact OE1-NH2 2.88Å; E50-R53 PolarHBondContact OE1-NH2 3.42Å; E50-R53 IonicContact OE2-NE 2.66Å; E50-V54 PolarHBondContact O-N 3.25Å; E50-V54 VanDerWaalsContact O-N 3.16Å; E50-L70 HydrophobicContact CB-CD2 3.69Å; E50-L70 HydrophobicContact CG-CD2 3.67Å
51R96.4Very high95.9Very high68 Ų6872.7 Ų72.726%0.25735%0.349SS..Hα-helixtrans-57-44.2-177.7179.9-176.9-56-81.8-4.9113.6A47 R53 V54 R55 I66 S67 L70A47-R51 WeakPolarHBondContact O-CB 3.4Å; A47-R51 PolarHBondContact O-N 3.31Å; R51-R53 VanDerWaalsContact C-N 3.28Å; R51-R53 PolarHBondContact O-N 3.21Å; R51-V54 PolarHBondContact O-N 3.45Å; R51-R55 WeakPolarHBondContact O-CB 3.28Å; R51-R55 PolarHBondContact O-N 3.17Å; R51-I66 HydrophobicContact CG-CG2 4.03Å; R51-S67 PolarHBondContact NH1-OG 2.88Å; R51-L70 HydrophobicContact CB-CD1 4.01Å; R51-L70 HydrophobicContact CG-CD1 4.46Å
52P95.8Very high95.9Very high75 Ų7571.9 Ų71.949%0.48734%0.344SS..Hα-helixtrans-56.8-39.4173.5-26.135.5000113K48 E49 R55 T56K48-P52 WeakPolarHBondContact O-CD 3.13Å; E49-P52 WeakPolarHBondContact O-CD 3.19Å; P52-R55 PolarHBondContact O-N 2.85Å; P52-T56 PolarHBondContact O-N 3.43Å; P52-T56 PolarHBondContact O-OG1 2.73Å; P52-T56 VanDerWaalsContact O-OG1 3.1Å
53R96.1Very high95.8Very high57 Ų5775.1 Ų75.122%0.21536%0.36CS..Hα-helixtrans-60.4-50.4177.1-175.7-172.76776.7-6.3111.3E50 R51 R55 T56 Q57 E73E50-R53 VanDerWaalsContact O-CB 3.3Å; E50-R53 WeakPolarHBondContact O-CB 3.48Å; E50-R53 PolarHBondContact O-N 2.76Å; E50-R53 IonicContact OE1-CZ 3.99Å; E50-R53 IonicContact OE1-NE 2.99Å; E50-R53 PolarHBondContact OE1-NE 2.9Å; E50-R53 IonicContact OE1-NH2 2.88Å; E50-R53 PolarHBondContact OE1-NH2 3.42Å; E50-R53 IonicContact OE2-NE 2.66Å; R51-R53 VanDerWaalsContact C-N 3.28Å; R51-R53 PolarHBondContact O-N 3.21Å; R53-R55 VanDerWaalsContact C-N 3.3Å; R53-R55 PolarHBondContact O-N 3.08Å; R53-T56 PolarHBondContact O-N 3.24Å; R53-Q57 VanDerWaalsContact NH1-CD 3.34Å; R53-Q57 WeakPolarHBondContact O-CG 3.4Å; R53-Q57 PolarHBondContact O-N 3.01Å; R53-Q57 VanDerWaalsContact O-N 3.15Å; R53-E73 IonicContact CZ-OE1 3.1Å; R53-E73 IonicContact NH2-OE1 2.73Å; R53-E73 PolarHBondContact NH2-OE1 3.47Å; R53-E73 IonicContact NH2-OE2 2.85Å; R53-E73 PolarHBondContact NH2-OE2 2.86Å
54V95.6Very high95.9Very high0 Ų075.5 Ų75.50%037%0.371CS..Hα-helixtrans-64.8-37.7-179.6-177.70000110.6E50 R51 Q57 Y58 I66 I69 L70E50-V54 PolarHBondContact O-N 3.25Å; E50-V54 VanDerWaalsContact O-N 3.16Å; R51-V54 PolarHBondContact O-N 3.45Å; V54-Q57 PolarHBondContact O-N 2.89Å; V54-Y58 HydrophobicContact CG1-CD2 3.98Å; V54-Y58 PolarHBondContact O-N 2.98Å; V54-I66 HydrophobicContact CB-CG2 4.09Å; V54-I66 HydrophobicContact CG1-CB 4.44Å; V54-I66 HydrophobicContact CG1-CG1 4.28Å; V54-I66 HydrophobicContact CG1-CG2 3.92Å; V54-I69 HydrophobicContact CG1-CB 4.45Å; V54-I69 HydrophobicContact CG1-CD1 3.98Å; V54-I69 HydrophobicContact CG1-CG2 4.29Å; V54-L70 HydrophobicContact CG2-CD2 3.87Å; V54-L70 HydrophobicContact CG2-CG 4.45Å
55R96.7Very high95.9Very high158 Ų15874.1 Ų74.160%0.59636%0.363SS*.Hα-helixtrans-64.7-38.6177-173.9171.7-175.5168.30.3112.9R51 P52 R53 Q57 Y58 P59 I66R51-R55 WeakPolarHBondContact O-CB 3.28Å; R51-R55 PolarHBondContact O-N 3.17Å; P52-R55 PolarHBondContact O-N 2.85Å; R53-R55 VanDerWaalsContact C-N 3.3Å; R53-R55 PolarHBondContact O-N 3.08Å; R55-Q57 VanDerWaalsContact C-N 3.32Å; R55-Y58 CarbonylContact O-C 3.3Å; R55-Y58 VanDerWaalsContact O-C 3.3Å; R55-P59 WeakPolarHBondContact O-CA 3.5Å; R55-I66 HydrophobicContact CB-CD1 4.17Å; R55-I66 HydrophobicContact CG-CD1 4.41Å
56T96.6Very high96Very high120 Ų12073.3 Ų73.374%0.73636%0.359SS*.Hα-helixtrans-67.5-34.4175-58.40000111.8P52 R53P52-T56 PolarHBondContact O-N 3.43Å; P52-T56 PolarHBondContact O-OG1 2.73Å; P52-T56 VanDerWaalsContact O-OG1 3.1Å; R53-T56 PolarHBondContact O-N 3.24Å
57Q96.4Very high96.1Very high104 Ų10475.3 Ų75.349%0.48637%0.373SS..Hα-helixtrans-75-36.2177.2-69178.62.700112.9R53 V54 R55R53-Q57 VanDerWaalsContact NH1-CD 3.34Å; R53-Q57 WeakPolarHBondContact O-CG 3.4Å; R53-Q57 PolarHBondContact O-N 3.01Å; R53-Q57 VanDerWaalsContact O-N 3.15Å; V54-Q57 PolarHBondContact O-N 2.89Å; R55-Q57 VanDerWaalsContact C-N 3.32Å
58Y95.9Very high96.2Very high97 Ų9780.3 Ų80.338%0.3840%0.396SS..  trans-128.874.4-178.1-54.9-78.1000110.3V54 R55 E60 Y61 I69V54-Y58 HydrophobicContact CG1-CD2 3.98Å; V54-Y58 PolarHBondContact O-N 2.98Å; R55-Y58 CarbonylContact O-C 3.3Å; R55-Y58 VanDerWaalsContact O-C 3.3Å; Y58-E60 PolarHBondContact O-N 3.35Å; Y58-Y61 HydrophobicContact CD1-CD2 4.33Å; Y58-Y61 HydrophobicContact CD1-CE1 4.39Å; Y58-Y61 AromaticContact CD1-CE2 3.92Å; Y58-Y61 HydrophobicContact CD1-CE2 3.92Å; Y58-Y61 AromaticContact CD1-CZ 3.95Å; Y58-Y61 HydrophobicContact CD2-CD2 4.48Å; Y58-Y61 HydrophobicContact CE1-CE2 4.48Å; Y58-Y61 AromaticContact CG-CD2 3.92Å; Y58-Y61 HydrophobicContact CG-CD2 3.92Å; Y58-Y61 AromaticContact CG-CE2 3.93Å; Y58-Y61 HydrophobicContact CG-CE2 3.93Å; Y58-Y61 HydrophobicContact CG-CG 4.34Å; Y58-Y61 PolarHBondContact O-N 3.09Å; Y58-Y61 VanDerWaalsContact O-N 3.13Å; Y58-I69 HydrophobicContact CD2-CD1 4.24Å; Y58-I69 HydrophobicContact CE2-CD1 4.34Å
59P96.3Very high96.3Very high91 Ų9176.7 Ų76.759%0.59138%0.382SS*.THydrogen-bonded Turntrans-63.1-28.7-177.524.3-33.6000113R55 Y61R55-P59 WeakPolarHBondContact O-CA 3.5Å; P59-Y61 VanDerWaalsContact C-N 3.27Å; P59-Y61 PolarHBondContact O-N 2.94Å
60E96.6Very high96.5Very high169 Ų16972.7 Ų72.779%0.7936%0.363SS*.THydrogen-bonded Turntrans-74.1-15.3178.5-57-51.5120.200113.5Y58Y58-E60 PolarHBondContact O-N 3.35Å
61Y96.4Very high96.7Very high95 Ų9573 Ų7337%0.37337%0.371SS..  trans-80.5129.9-173.4-77.815.9000111.1Y58 P59 Q65 I66 I69Y58-Y61 HydrophobicContact CD1-CD2 4.33Å; Y58-Y61 HydrophobicContact CD1-CE1 4.39Å; Y58-Y61 AromaticContact CD1-CE2 3.92Å; Y58-Y61 HydrophobicContact CD1-CE2 3.92Å; Y58-Y61 AromaticContact CD1-CZ 3.95Å; Y58-Y61 HydrophobicContact CD2-CD2 4.48Å; Y58-Y61 HydrophobicContact CE1-CE2 4.48Å; Y58-Y61 AromaticContact CG-CD2 3.92Å; Y58-Y61 HydrophobicContact CG-CD2 3.92Å; Y58-Y61 AromaticContact CG-CE2 3.93Å; Y58-Y61 HydrophobicContact CG-CE2 3.93Å; Y58-Y61 HydrophobicContact CG-CG 4.34Å; Y58-Y61 PolarHBondContact O-N 3.09Å; Y58-Y61 VanDerWaalsContact O-N 3.13Å; P59-Y61 VanDerWaalsContact C-N 3.27Å; P59-Y61 PolarHBondContact O-N 2.94Å; Y61-Q65 HydrophobicContact CD2-CB 3.99Å; Y61-Q65 HydrophobicContact CG-CB 4.1Å; Y61-I66 WeakPolarHBondContact O-CD1 3.45Å; Y61-I69 HydrophobicContact CD2-CD1 3.8Å; Y61-I69 HydrophobicContact CE2-CD1 3.81Å
62N96.4Very high96.7Very high65 Ų6576.2 Ų76.235%0.34839%0.39SS..  trans-71.1165172.565.350000111.1A64 Q65 I66N62-A64 PolarHBondContact O-N 3.34Å; N62-A64 VanDerWaalsContact O-N 3.1Å; N62-A64 WeakPolarHBondContact OD1-CA 3.17Å; N62-A64 VanDerWaalsContact OD1-CB 3.3Å; N62-A64 WeakPolarHBondContact OD1-CB 3.36Å; N62-A64 PolarHBondContact OD1-N 3.01Å; N62-Q65 PolarHBondContact ND2-OE1 2.84Å; N62-Q65 PolarHBondContact O-N 3.22Å; N62-Q65 VanDerWaalsContact O-N 3.1Å; N62-Q65 PolarHBondContact OD1-N 3.06Å; N62-Q65 PolarHBondContact OD1-OE1 2.79Å; N62-I66 WeakPolarHBondContact O-CG1 3.45Å; N62-I66 PolarHBondContact O-N 3.08Å
63N95.7Very high96.7Very high98 Ų9875.6 Ų75.652%0.52438%0.381SS..Hα-helixtrans-58.2-27.6-179.2-75.9-69.3000114S67N63-S67 VanDerWaalsContact O-CB 3.28Å; N63-S67 WeakPolarHBondContact O-CB 3.42Å; N63-S67 PolarHBondContact O-N 2.76Å; N63-S67 PolarHBondContact O-OG 3.03Å
64A97.2Very high96.8Very high51 Ų5174.8 Ų74.842%0.42138%0.378SS..Hα-helixtrans-69.1-47.2176.900000110.6N62 S67 Q68N62-A64 PolarHBondContact O-N 3.34Å; N62-A64 VanDerWaalsContact O-N 3.1Å; N62-A64 WeakPolarHBondContact OD1-CA 3.17Å; N62-A64 VanDerWaalsContact OD1-CB 3.3Å; N62-A64 WeakPolarHBondContact OD1-CB 3.36Å; N62-A64 PolarHBondContact OD1-N 3.01Å; A64-S67 PolarHBondContact O-N 3.13Å; A64-Q68 WeakPolarHBondContact O-CG 3.47Å; A64-Q68 PolarHBondContact O-N 3.49Å
65Q97.3Very high96.8Very high67 Ų6781.7 Ų81.731%0.31341%0.408SS..Hα-helixtrans-62.4-46.4175.9-70165.2-60.800111.6Y61 N62 S67 Q68 I69Y61-Q65 HydrophobicContact CD2-CB 3.99Å; Y61-Q65 HydrophobicContact CG-CB 4.1Å; N62-Q65 PolarHBondContact ND2-OE1 2.84Å; N62-Q65 PolarHBondContact O-N 3.22Å; N62-Q65 VanDerWaalsContact O-N 3.1Å; N62-Q65 PolarHBondContact OD1-N 3.06Å; N62-Q65 PolarHBondContact OD1-OE1 2.79Å; Q65-S67 VanDerWaalsContact C-N 3.26Å; Q65-S67 PolarHBondContact O-N 3.4Å; Q65-Q68 WeakPolarHBondContact O-CB 3.11Å; Q65-Q68 PolarHBondContact O-N 3.37Å; Q65-Q68 VanDerWaalsContact O-N 3.11Å; Q65-I69 PolarHBondContact O-N 3.22Å
66I97.2Very high96.8Very high2 Ų278.3 Ų78.31%0.0141%0.414CS..Hα-helixtrans-58.3-41.4176-65.4172.7000110.7R51 V54 R55 Y61 N62 Q68 I69 L70R51-I66 HydrophobicContact CG-CG2 4.03Å; V54-I66 HydrophobicContact CB-CG2 4.09Å; V54-I66 HydrophobicContact CG1-CB 4.44Å; V54-I66 HydrophobicContact CG1-CG1 4.28Å; V54-I66 HydrophobicContact CG1-CG2 3.92Å; R55-I66 HydrophobicContact CB-CD1 4.17Å; R55-I66 HydrophobicContact CG-CD1 4.41Å; Y61-I66 WeakPolarHBondContact O-CD1 3.45Å; N62-I66 WeakPolarHBondContact O-CG1 3.45Å; N62-I66 PolarHBondContact O-N 3.08Å; I66-Q68 VanDerWaalsContact C-N 3.31Å; I66-Q68 PolarHBondContact O-N 3.3Å; I66-I69 PolarHBondContact O-N 3.2Å; I66-L70 HydrophobicContact CG2-CD1 3.9Å; I66-L70 HydrophobicContact CG2-CG 4.32Å; I66-L70 VanDerWaalsContact O-CG 3.29Å; I66-L70 WeakPolarHBondContact O-CG 2.72Å; I66-L70 PolarHBondContact O-N 3.31Å
67S97.3Very high96.7Very high46 Ų4673.2 Ų73.232%0.32238%0.382SS..Hα-helixtrans-70.1-27-179.9-55.60000113R51 N63 A64 Q65 G71R51-S67 PolarHBondContact NH1-OG 2.88Å; N63-S67 VanDerWaalsContact O-CB 3.28Å; N63-S67 WeakPolarHBondContact O-CB 3.42Å; N63-S67 PolarHBondContact O-N 2.76Å; N63-S67 PolarHBondContact O-OG 3.03Å; A64-S67 PolarHBondContact O-N 3.13Å; Q65-S67 VanDerWaalsContact C-N 3.26Å; Q65-S67 PolarHBondContact O-N 3.4Å; S67-G71 PolarHBondContact O-N 2.9Å
68Q97.7Very high96.7Very high108 Ų10871.7 Ų71.751%0.50538%0.381SS..Hα-helixtrans-65.7-48.4171.6-72171.4-28.100111.1A64 Q65 I66 L70 G71 M72A64-Q68 WeakPolarHBondContact O-CG 3.47Å; A64-Q68 PolarHBondContact O-N 3.49Å; Q65-Q68 WeakPolarHBondContact O-CB 3.11Å; Q65-Q68 PolarHBondContact O-N 3.37Å; Q65-Q68 VanDerWaalsContact O-N 3.11Å; I66-Q68 VanDerWaalsContact C-N 3.31Å; I66-Q68 PolarHBondContact O-N 3.3Å; Q68-L70 PolarHBondContact O-N 3.16Å; Q68-G71 PolarHBondContact O-N 3.44Å; Q68-G71 VanDerWaalsContact O-N 3.17Å; Q68-M72 WeakPolarHBondContact O-CG 3.32Å; Q68-M72 PolarHBondContact O-N 3.06Å
69I97.1Very high96.7Very high38 Ų3871.4 Ų71.420%0.19539%0.389CS..Hα-helixtrans-58.7-49.3177-62.6169000110.6V54 Y58 Y61 Q65 I66 G71 M72 E73V54-I69 HydrophobicContact CG1-CB 4.45Å; V54-I69 HydrophobicContact CG1-CD1 3.98Å; V54-I69 HydrophobicContact CG1-CG2 4.29Å; Y58-I69 HydrophobicContact CD2-CD1 4.24Å; Y58-I69 HydrophobicContact CE2-CD1 4.34Å; Y61-I69 HydrophobicContact CD2-CD1 3.8Å; Y61-I69 HydrophobicContact CE2-CD1 3.81Å; Q65-I69 PolarHBondContact O-N 3.22Å; I66-I69 PolarHBondContact O-N 3.2Å; I69-G71 VanDerWaalsContact C-N 3.27Å; I69-G71 PolarHBondContact O-N 3.44Å; I69-M72 WeakPolarHBondContact O-CB 3.44Å; I69-M72 PolarHBondContact O-N 3.37Å; I69-M72 VanDerWaalsContact O-N 3.1Å; I69-E73 HydrophobicContact CG2-CG 4.42Å; I69-E73 PolarHBondContact O-N 2.95Å
70L97.3Very high96.6Very high0 Ų073.9 Ų73.90%039%0.393CS..Hα-helixtrans-58.3-40.1177.8-70.2173.3000111.8F43 W46 A47 E50 R51 V54 I66 Q68 W74F43-L70 HydrophobicContact CE2-CB 4.4Å; F43-L70 HydrophobicContact CZ-CB 4.32Å; W46-L70 HydrophobicContact CH2-CB 4.13Å; W46-L70 HydrophobicContact CH2-CD2 3.7Å; W46-L70 WeakPolarHBondContact CH2-O 3.43Å; W46-L70 HydrophobicContact CZ2-CD2 4.46Å; W46-L70 HydrophobicContact CZ3-CB 3.87Å; W46-L70 HydrophobicContact CZ3-CD2 3.91Å; W46-L70 HydrophobicContact CZ3-CG 4.48Å; W46-L70 WeakPolarHBondContact CZ3-O 3.49Å; A47-L70 HydrophobicContact CB-CD1 4.23Å; E50-L70 HydrophobicContact CB-CD2 3.69Å; E50-L70 HydrophobicContact CG-CD2 3.67Å; R51-L70 HydrophobicContact CB-CD1 4.01Å; R51-L70 HydrophobicContact CG-CD1 4.46Å; V54-L70 HydrophobicContact CG2-CD2 3.87Å; V54-L70 HydrophobicContact CG2-CG 4.45Å; I66-L70 HydrophobicContact CG2-CD1 3.9Å; I66-L70 HydrophobicContact CG2-CG 4.32Å; I66-L70 VanDerWaalsContact O-CG 3.29Å; I66-L70 WeakPolarHBondContact O-CG 2.72Å; I66-L70 PolarHBondContact O-N 3.31Å; Q68-L70 PolarHBondContact O-N 3.16Å; L70-W74 VanDerWaalsContact O-CB 3.28Å; L70-W74 WeakPolarHBondContact O-CB 3.46Å; L70-W74 PolarHBondContact O-N 3.28Å
71G97.7Very high96.4Very high23 Ų2369.5 Ų69.524%0.23737%0.369CS..Hα-helixtrans-62.6-40.717600000113S67 Q68 I69 K75S67-G71 PolarHBondContact O-N 2.9Å; Q68-G71 PolarHBondContact O-N 3.44Å; Q68-G71 VanDerWaalsContact O-N 3.17Å; I69-G71 VanDerWaalsContact C-N 3.27Å; I69-G71 PolarHBondContact O-N 3.44Å; G71-K75 WeakPolarHBondContact O-CG 3.25Å; G71-K75 PolarHBondContact O-N 3.11Å; G71-K75 VanDerWaalsContact O-N 3.08Å
72M97.6Very high96.3Very high136 Ų13666.6 Ų66.667%0.6736%0.359SS*.Hα-helixtrans-66.9-49.7176.7-69.1170.85300111.8Q68 I69 W74 K75 A76Q68-M72 WeakPolarHBondContact O-CG 3.32Å; Q68-M72 PolarHBondContact O-N 3.06Å; I69-M72 WeakPolarHBondContact O-CB 3.44Å; I69-M72 PolarHBondContact O-N 3.37Å; I69-M72 VanDerWaalsContact O-N 3.1Å; M72-W74 VanDerWaalsContact C-N 3.32Å; M72-W74 PolarHBondContact O-N 2.77Å; M72-K75 PolarHBondContact O-N 3.38Å; M72-A76 PolarHBondContact O-N 2.85Å
73E96.2Very high96.2Very high63 Ų6368.3 Ų68.329%0.29437%0.366SS..Hα-helixtrans-60.1-42.2177.1-73.6-174.5-176.200111.4W46 R53 I69 K75 A76 M77W46-E73 HydrophobicContact CH2-CB 3.81Å; W46-E73 HydrophobicContact CZ2-CB 4.08Å; R53-E73 IonicContact CZ-OE1 3.1Å; R53-E73 IonicContact NH2-OE1 2.73Å; R53-E73 PolarHBondContact NH2-OE1 3.47Å; R53-E73 IonicContact NH2-OE2 2.85Å; R53-E73 PolarHBondContact NH2-OE2 2.86Å; I69-E73 HydrophobicContact CG2-CG 4.42Å; I69-E73 PolarHBondContact O-N 2.95Å; E73-K75 PolarHBondContact O-N 3.05Å; E73-A76 PolarHBondContact O-N 3.21Å; E73-M77 WeakPolarHBondContact O-CB 3.36Å; E73-M77 PolarHBondContact O-N 2.87Å
74W96.9Very high96.1Very high40 Ų4066 Ų6615%0.15236%0.356CS..Hα-helixtrans-60.7-43.6175.3178.8-101.5000111.6F43 W46 L70 M72 M77 K82 Y85F43-W74 HydrophobicContact CB-CD2 4.46Å; F43-W74 HydrophobicContact CD2-CB 3.83Å; F43-W74 AromaticContact CD2-CD1 3.99Å; F43-W74 AromaticContact CD2-CD2 3.92Å; F43-W74 HydrophobicContact CD2-CD2 3.92Å; F43-W74 HydrophobicContact CD2-CE3 4.4Å; F43-W74 AromaticContact CD2-CG 3.62Å; F43-W74 HydrophobicContact CD2-CG 3.62Å; F43-W74 HydrophobicContact CE2-CB 3.96Å; F43-W74 HydrophobicContact CE2-CG 4.26Å; W46-W74 HydrophobicContact CB-CE3 3.95Å; W46-W74 HydrophobicContact CB-CZ3 3.54Å; W46-W74 AromaticContact CD2-CE3 3.58Å; W46-W74 HydrophobicContact CD2-CE3 3.58Å; W46-W74 HydrophobicContact CD2-CZ3 4.08Å; W46-W74 HydrophobicContact CE3-CB 4.13Å; W46-W74 HydrophobicContact CE3-CD2 4.31Å; W46-W74 AromaticContact CE3-CE3 3.6Å; W46-W74 HydrophobicContact CE3-CE3 3.6Å; W46-W74 HydrophobicContact CE3-CZ3 4.39Å; W46-W74 AromaticContact CG-CE3 3.74Å; W46-W74 HydrophobicContact CG-CE3 3.74Å; W46-W74 AromaticContact CG-CZ3 3.71Å; W46-W74 HydrophobicContact CG-CZ3 3.71Å; W46-W74 HydrophobicContact CH2-CB 4.17Å; W46-W74 HydrophobicContact CZ3-CB 3.74Å; W46-W74 HydrophobicContact CZ3-CE3 4.35Å; L70-W74 VanDerWaalsContact O-CB 3.28Å; L70-W74 WeakPolarHBondContact O-CB 3.46Å; L70-W74 PolarHBondContact O-N 3.28Å; M72-W74 VanDerWaalsContact C-N 3.32Å; M72-W74 PolarHBondContact O-N 2.77Å; W74-M77 HydrophobicContact CD2-CE 4.31Å; W74-M77 HydrophobicContact CE3-CE 3.38Å; W74-M77 HydrophobicContact CH2-CE 4.02Å; W74-M77 HydrophobicContact CZ3-CE 3.22Å; W74-M77 PolarHBondContact O-N 3.34Å; W74-K82 HydrophobicContact CH2-CB 4.16Å; W74-K82 HydrophobicContact CH2-CG 3.99Å; W74-K82 HydrophobicContact CZ2-CB 4.33Å; W74-K82 HydrophobicContact CZ2-CD 4.49Å; W74-K82 HydrophobicContact CZ2-CG 4Å; W74-K82 HydrophobicContact CZ3-CG 4.31Å; W74-K82 WeakPolarHBondContact O-CE 3.26Å; W74-K82 PolarHBondContact O-NZ 2.87Å; W74-Y85 HydrophobicContact CZ3-CD2 4.14Å; W74-Y85 HydrophobicContact CZ3-CG 4.43Å
75K96.8Very high96Very high144 Ų14463.9 Ų63.963%0.62634%0.337SS*.Hα-helixtrans-60.6-46.2175.9-76.2-180177.9-174.10110.9G71 M72 E73 M77 K82 D126G71-K75 WeakPolarHBondContact O-CG 3.25Å; G71-K75 PolarHBondContact O-N 3.11Å; G71-K75 VanDerWaalsContact O-N 3.08Å; M72-K75 PolarHBondContact O-N 3.38Å; E73-K75 PolarHBondContact O-N 3.05Å; K75-M77 VanDerWaalsContact C-N 3.34Å; K75-M77 PolarHBondContact O-N 3.39Å; K75-K82 PolarHBondContact O-NZ 3.39Å; K75-D126 IonicContact NZ-OD2 3.92Å; K75-D126 PolarHBondContact NZ-OD2 3.49Å
76A96.8Very high95.9Very high87 Ų8764.6 Ų64.672%0.71934%0.34SS*.Hα-helixtrans-71-21.9-178.400000114.7M72 E73M72-A76 PolarHBondContact O-N 2.85Å; E73-A76 PolarHBondContact O-N 3.21Å
77M94.7Very high95.8Very high13 Ų1371.7 Ų71.76%0.06437%0.37CS..SBendtrans-64.1139.7-177-171170.971.500112.5E73 W74 K75 R81 K82 Y85E73-M77 WeakPolarHBondContact O-CB 3.36Å; E73-M77 PolarHBondContact O-N 2.87Å; W74-M77 HydrophobicContact CD2-CE 4.31Å; W74-M77 HydrophobicContact CE3-CE 3.38Å; W74-M77 HydrophobicContact CH2-CE 4.02Å; W74-M77 HydrophobicContact CZ3-CE 3.22Å; W74-M77 PolarHBondContact O-N 3.34Å; K75-M77 VanDerWaalsContact C-N 3.34Å; K75-M77 PolarHBondContact O-N 3.39Å; M77-R81 HydrophobicContact CE-CB 4.4Å; M77-R81 HydrophobicContact CE-CG 4.24Å; M77-R81 HydrophobicContact CG-CB 3.89Å; M77-R81 HydrophobicContact CG-CG 4.07Å; M77-R81 HydrophobicContact SD-CB 3.98Å; M77-R81 WeakPolarHBondContact SD-CD 3.4Å; M77-R81 HydrophobicContact SD-CG 3.54Å; M77-R81 VanDerWaalsContact SD-CG 3.54Å; M77-K82 HydrophobicContact CE-CB 4.18Å; M77-K82 HydrophobicContact CE-CG 3.39Å; M77-K82 WeakPolarHBondContact O-CE 3.46Å; M77-K82 PolarHBondContact O-NZ 2.63Å; M77-Y85 HydrophobicContact CE-CD2 4.33Å
78P96.2Very high95.5Very high72 Ų7270.6 Ų70.647%0.46836%0.359SS..  trans-62.8153178.725.3-36.3000112.7E80 R81 K82P78-E80 VanDerWaalsContact C-N 3.33Å; P78-E80 WeakPolarHBondContact CB-OE2 3.31Å; P78-E80 PolarHBondContact O-N 2.89Å; P78-R81 HydrophobicContact CG-CB 4.17Å; P78-R81 PolarHBondContact O-N 2.93Å; P78-K82 PolarHBondContact O-N 3.12Å; P78-K82 VanDerWaalsContact O-N 3.16Å
79T95.1Very high95.4Very high91 Ų9165.7 Ų65.756%0.55834%0.337SS*.Hα-helixtrans-62.9-36.7-175.8-57.60000111.9R81 K82 M83T79-R81 VanDerWaalsContact C-N 3.29Å; T79-R81 PolarHBondContact O-N 3.08Å; T79-K82 WeakPolarHBondContact O-CB 3.31Å; T79-K82 PolarHBondContact O-N 3.16Å; T79-K82 VanDerWaalsContact O-N 3.12Å; T79-M83 HydrophobicContact CG2-CG 4.22Å; T79-M83 VanDerWaalsContact O-CG 3.26Å; T79-M83 WeakPolarHBondContact O-CG 3.42Å; T79-M83 PolarHBondContact O-N 3.04Å
80E94.5Very high95.3Very high144 Ų14467 Ų6767%0.67335%0.347SS*.Hα-helixtrans-61.3-40.8179.7-52.488.2-172.600111.4P78 M83P78-E80 VanDerWaalsContact C-N 3.33Å; P78-E80 WeakPolarHBondContact CB-OE2 3.31Å; P78-E80 PolarHBondContact O-N 2.89Å; E80-M83 WeakPolarHBondContact O-CB 3.49Å; E80-M83 PolarHBondContact O-N 3.28Å
81R92.3Very high95.1Very high76 Ų7670 Ų7029%0.28736%0.361SS..Hα-helixtrans-68.7-37.9177.1-166.7170.9177.5-155.3-3111.6M77 P78 T79 M83 Y85M77-R81 HydrophobicContact CE-CB 4.4Å; M77-R81 HydrophobicContact CE-CG 4.24Å; M77-R81 HydrophobicContact CG-CB 3.89Å; M77-R81 HydrophobicContact CG-CG 4.07Å; M77-R81 HydrophobicContact SD-CB 3.98Å; M77-R81 WeakPolarHBondContact SD-CD 3.4Å; M77-R81 HydrophobicContact SD-CG 3.54Å; M77-R81 VanDerWaalsContact SD-CG 3.54Å; P78-R81 HydrophobicContact CG-CB 4.17Å; P78-R81 PolarHBondContact O-N 2.93Å; T79-R81 VanDerWaalsContact C-N 3.29Å; T79-R81 PolarHBondContact O-N 3.08Å; R81-M83 VanDerWaalsContact C-N 3.31Å; R81-M83 PolarHBondContact O-N 3.32Å; R81-Y85 VanDerWaalsContact O-CD2 3.31Å; R81-Y85 WeakPolarHBondContact O-CD2 3.44Å
82K94.2Very high94.9Very high35 Ų3569.2 Ų69.215%0.15235%0.352CS..Hα-helixtrans-62.2-38.3173.2-69.7171.1172.9150.20111.7W74 K75 M77 P78 T79 V84 Y85 Q86W74-K82 HydrophobicContact CH2-CB 4.16Å; W74-K82 HydrophobicContact CH2-CG 3.99Å; W74-K82 HydrophobicContact CZ2-CB 4.33Å; W74-K82 HydrophobicContact CZ2-CD 4.49Å; W74-K82 HydrophobicContact CZ2-CG 4Å; W74-K82 HydrophobicContact CZ3-CG 4.31Å; W74-K82 WeakPolarHBondContact O-CE 3.26Å; W74-K82 PolarHBondContact O-NZ 2.87Å; K75-K82 PolarHBondContact O-NZ 3.39Å; M77-K82 HydrophobicContact CE-CB 4.18Å; M77-K82 HydrophobicContact CE-CG 3.39Å; M77-K82 WeakPolarHBondContact O-CE 3.46Å; M77-K82 PolarHBondContact O-NZ 2.63Å; P78-K82 PolarHBondContact O-N 3.12Å; P78-K82 VanDerWaalsContact O-N 3.16Å; T79-K82 WeakPolarHBondContact O-CB 3.31Å; T79-K82 PolarHBondContact O-N 3.16Å; T79-K82 VanDerWaalsContact O-N 3.12Å; K82-V84 VanDerWaalsContact C-N 3.29Å; K82-V84 PolarHBondContact O-N 3.46Å; K82-Y85 PolarHBondContact O-N 3.32Å; K82-Y85 VanDerWaalsContact O-N 3.08Å; K82-Q86 WeakPolarHBondContact O-CG 3.44Å; K82-Q86 PolarHBondContact O-N 3.28Å
83M94.9Very high94.7Very high101 Ų10169.2 Ų69.250%0.49834%0.344SS..Hα-helixtrans-59.3-37.2-176.3-77.6-65.3-71.700112.8T79 E80 R81 Y85 Q86 K87T79-M83 HydrophobicContact CG2-CG 4.22Å; T79-M83 VanDerWaalsContact O-CG 3.26Å; T79-M83 WeakPolarHBondContact O-CG 3.42Å; T79-M83 PolarHBondContact O-N 3.04Å; E80-M83 WeakPolarHBondContact O-CB 3.49Å; E80-M83 PolarHBondContact O-N 3.28Å; R81-M83 VanDerWaalsContact C-N 3.31Å; R81-M83 PolarHBondContact O-N 3.32Å; M83-Y85 VanDerWaalsContact C-N 3.31Å; M83-Y85 PolarHBondContact O-N 3.09Å; M83-Q86 PolarHBondContact O-N 3.44Å; M83-K87 PolarHBondContact O-N 3.34Å
84V93.4Very high94.5Very high50 Ų5072.1 Ų72.130%0.30336%0.356SS..Hα-helixtrans-58.2-45.6175.4-1800000110.8K82 R88K82-V84 VanDerWaalsContact C-N 3.29Å; K82-V84 PolarHBondContact O-N 3.46Å; V84-R88 WeakPolarHBondContact O-CG 3.42Å; V84-R88 PolarHBondContact O-N 3.46Å; V84-R88 VanDerWaalsContact O-N 3.15Å
85Y94.4Very high94.3Very high6 Ų670.6 Ų70.62%0.02435%0.35CS..Hα-helixtrans-72.4-33.1177.8-64.1-75.6000112.8L45 W46 E49 W74 M77 R81 K82 M83 A89L45-Y85 HydrophobicContact CB-CD1 4.1Å; W46-Y85 HydrophobicContact CB-CD1 3.82Å; W46-Y85 HydrophobicContact CB-CD2 4.02Å; W46-Y85 HydrophobicContact CB-CE1 3.83Å; W46-Y85 HydrophobicContact CB-CE2 4.03Å; W46-Y85 HydrophobicContact CB-CG 3.92Å; W46-Y85 AromaticContact CD1-CE2 3.53Å; W46-Y85 AromaticContact CD1-CZ 3.56Å; W46-Y85 HydrophobicContact CG-CD2 4.43Å; W46-Y85 HydrophobicContact CG-CE2 4.11Å; E49-Y85 WeakPolarHBondContact OE2-CE1 3.18Å; E49-Y85 PolarHBondContact OE2-OH 2.97Å; W74-Y85 HydrophobicContact CZ3-CD2 4.14Å; W74-Y85 HydrophobicContact CZ3-CG 4.43Å; M77-Y85 HydrophobicContact CE-CD2 4.33Å; R81-Y85 VanDerWaalsContact O-CD2 3.31Å; R81-Y85 WeakPolarHBondContact O-CD2 3.44Å; K82-Y85 PolarHBondContact O-N 3.32Å; K82-Y85 VanDerWaalsContact O-N 3.08Å; M83-Y85 VanDerWaalsContact C-N 3.31Å; M83-Y85 PolarHBondContact O-N 3.09Å; Y85-A89 VanDerWaalsContact O-CB 3.31Å; Y85-A89 WeakPolarHBondContact O-CB 3.22Å; Y85-A89 PolarHBondContact O-N 2.93Å
86Q95.1Very high94.1Very high81 Ų8163.9 Ų63.938%0.37932%0.321SS..Hα-helixtrans-63.6-43.9173.5-69.5-178.746.100112.2K82 M83 A89 T90K82-Q86 WeakPolarHBondContact O-CG 3.44Å; K82-Q86 PolarHBondContact O-N 3.28Å; M83-Q86 PolarHBondContact O-N 3.44Å; Q86-A89 PolarHBondContact O-N 2.78Å; Q86-T90 PolarHBondContact O-N 3.03Å; Q86-T90 PolarHBondContact O-OG1 3.1Å
87K95.1Very high94Very high151 Ų15163.4 Ų63.466%0.65731%0.313SS*.Hα-helixtrans-61.4-49.7175.4-172.4174.9-178.5176.50110.8M83 A89 T90 E91M83-K87 PolarHBondContact O-N 3.34Å; K87-A89 VanDerWaalsContact C-N 3.34Å; K87-A89 PolarHBondContact O-N 2.98Å; K87-T90 WeakPolarHBondContact O-CB 3.35Å; K87-T90 PolarHBondContact O-N 2.7Å; K87-T90 VanDerWaalsContact O-N 3.1Å; K87-E91 PolarHBondContact O-N 3.31Å
88R91.4Very high93.8Very high23 Ų2368.2 Ų68.29%0.08734%0.338CS..Hα-helixtrans-58.4-42.3176.9-69177.8-171.5178.35.6112.7L13 L45 E49 V84 T90 E91 L92L13-R88 HydrophobicContact CD1-CB 4.04Å; L13-R88 HydrophobicContact CD1-CG 3.89Å; L45-R88 HydrophobicContact CD1-CB 3.92Å; E49-R88 IonicContact OE1-NH1 3.54Å; V84-R88 WeakPolarHBondContact O-CG 3.42Å; V84-R88 PolarHBondContact O-N 3.46Å; V84-R88 VanDerWaalsContact O-N 3.15Å; R88-T90 VanDerWaalsContact C-N 3.31Å; R88-T90 PolarHBondContact O-N 2.95Å; R88-E91 PolarHBondContact O-N 3.36Å; R88-L92 WeakPolarHBondContact O-CB 3.3Å; R88-L92 PolarHBondContact O-N 3.09Å
89A95.1Very high93.5Very high5 Ų566.6 Ų66.64%0.04132%0.324CS..Hα-helixtrans-64.5-36.3176.700000112.4L45 Y85 Q86 K87 R93L45-A89 HydrophobicContact CD1-CB 3.79Å; Y85-A89 VanDerWaalsContact O-CB 3.31Å; Y85-A89 WeakPolarHBondContact O-CB 3.22Å; Y85-A89 PolarHBondContact O-N 2.93Å; Q86-A89 PolarHBondContact O-N 2.78Å; K87-A89 VanDerWaalsContact C-N 3.34Å; K87-A89 PolarHBondContact O-N 2.98Å; A89-R93 VanDerWaalsContact O-CG 3.31Å; A89-R93 WeakPolarHBondContact O-CG 3.32Å; A89-R93 PolarHBondContact O-N 3.02Å
90T95.5Very high93.4Very high65 Ų6563.9 Ų63.940%0.39930%0.304SS..Hα-helixtrans-65.7-45.1174.4-60.40000111.7Q86 K87 R88 R93 K94Q86-T90 PolarHBondContact O-N 3.03Å; Q86-T90 PolarHBondContact O-OG1 3.1Å; K87-T90 WeakPolarHBondContact O-CB 3.35Å; K87-T90 PolarHBondContact O-N 2.7Å; K87-T90 VanDerWaalsContact O-N 3.1Å; R88-T90 VanDerWaalsContact C-N 3.31Å; R88-T90 PolarHBondContact O-N 2.95Å; T90-R93 WeakPolarHBondContact O-CB 3.49Å; T90-R93 PolarHBondContact O-N 3.44Å; T90-R93 PolarHBondContact OG1-NH2 3.27Å; T90-K94 PolarHBondContact O-N 3.4Å
91E93.4Very high93.3Very high64 Ų6462.2 Ų62.230%0.29931%0.306SS..Hα-helixtrans-62.4-43.4175.1-65.4-52.6127.900112.2L13 K87 R88 R93 K94 F95L13-E91 HydrophobicContact CD1-CB 4.11Å; K87-E91 PolarHBondContact O-N 3.31Å; R88-E91 PolarHBondContact O-N 3.36Å; E91-R93 VanDerWaalsContact C-N 3.33Å; E91-R93 PolarHBondContact O-N 3.19Å; E91-K94 WeakPolarHBondContact O-CA 3.31Å; E91-K94 WeakPolarHBondContact O-CB 3.23Å; E91-K94 PolarHBondContact O-N 2.76Å; E91-F95 PolarHBondContact O-N 2.92Å
92L92.5Very high93.3Very high7 Ų763.9 Ų63.94%0.03733%0.329CS..Hα-helixtrans-62.9-38176.3-80.9170.8000112.8L13 Y23 A26 T27 L45 R88 K94 F95 H96L13-L92 HydrophobicContact CD2-CD2 4.25Å; L13-L92 HydrophobicContact CD2-CG 4.42Å; Y23-L92 HydrophobicContact CD2-CD2 4.26Å; Y23-L92 HydrophobicContact CE2-CD2 4.48Å; A26-L92 HydrophobicContact CB-CD2 3.57Å; T27-L92 HydrophobicContact CG2-CD2 3.89Å; L45-L92 HydrophobicContact CD1-CD1 3.85Å; L45-L92 HydrophobicContact CD2-CD1 3.41Å; L45-L92 VanDerWaalsContact CD2-CD1 3.41Å; L45-L92 HydrophobicContact CG-CD1 4.17Å; R88-L92 WeakPolarHBondContact O-CB 3.3Å; R88-L92 PolarHBondContact O-N 3.09Å; L92-K94 VanDerWaalsContact C-N 3.3Å; L92-F95 PolarHBondContact O-N 3.25Å; L92-H96 VanDerWaalsContact O-CB 3.3Å; L92-H96 WeakPolarHBondContact O-CB 3.5Å; L92-H96 PolarHBondContact O-N 3.16Å
93R94.1Very high93.3Very high136 Ų13665.5 Ų65.551%0.51334%0.335SS..Hα-helixtrans-61.3-40.9172-75.8-177-63.6160.60.9111.2P39 A89 T90 E91 H96 S97P39-R93 HydrophobicContact CB-CG 4.18Å; P39-R93 HydrophobicContact CG-CG 4.06Å; A89-R93 VanDerWaalsContact O-CG 3.31Å; A89-R93 WeakPolarHBondContact O-CG 3.32Å; A89-R93 PolarHBondContact O-N 3.02Å; T90-R93 WeakPolarHBondContact O-CB 3.49Å; T90-R93 PolarHBondContact O-N 3.44Å; T90-R93 PolarHBondContact OG1-NH2 3.27Å; E91-R93 VanDerWaalsContact C-N 3.33Å; E91-R93 PolarHBondContact O-N 3.19Å; R93-H96 PolarHBondContact O-N 3.4Å; R93-S97 PolarHBondContact O-N 3.45Å; R93-S97 PolarHBondContact O-OG 3.45Å
94K93.1Very high93.3Very high124 Ų12468 Ų6854%0.53934%0.343SS..Hα-helixtrans-62.6-50176.3-174.7-177.1178.3-1770111.3T90 E91 L92 H96 S97 L98T90-K94 PolarHBondContact O-N 3.4Å; E91-K94 WeakPolarHBondContact O-CA 3.31Å; E91-K94 WeakPolarHBondContact O-CB 3.23Å; E91-K94 PolarHBondContact O-N 2.76Å; L92-K94 VanDerWaalsContact C-N 3.3Å; K94-H96 VanDerWaalsContact C-N 3.31Å; K94-H96 PolarHBondContact O-N 3.28Å; K94-S97 PolarHBondContact O-N 2.91Å; K94-L98 HydrophobicContact CG-CD1 4.33Å; K94-L98 WeakPolarHBondContact O-CG 3.45Å; K94-L98 PolarHBondContact O-N 3.46Å
95F91.9Very high93.3Very high7 Ų771 Ų713%0.03135%0.35CS..Hα-helixtrans-59.4-42176.8-65.9-19.7000112.4L13 L16 A17 P22 A26 E91 L92 S97 L98 E99L13-F95 HydrophobicContact CB-CE2 4.14Å; L13-F95 HydrophobicContact CD2-CD2 4.29Å; L13-F95 HydrophobicContact CD2-CE2 3.8Å; L13-F95 VanDerWaalsContact O-CZ 3.25Å; L13-F95 WeakPolarHBondContact O-CZ 3.47Å; L16-F95 HydrophobicContact CB-CE2 4.43Å; A17-F95 HydrophobicContact CB-CE1 3.88Å; A17-F95 HydrophobicContact CB-CZ 4.05Å; P22-F95 HydrophobicContact CB-CB 4.01Å; P22-F95 HydrophobicContact CB-CD1 3.97Å; P22-F95 HydrophobicContact CB-CD2 4.33Å; P22-F95 HydrophobicContact CB-CG 3.87Å; P22-F95 HydrophobicContact CG-CB 4.21Å; P22-F95 HydrophobicContact CG-CG 4.5Å; A26-F95 HydrophobicContact CB-CD2 4.28Å; E91-F95 PolarHBondContact O-N 2.92Å; L92-F95 PolarHBondContact O-N 3.25Å; F95-S97 VanDerWaalsContact C-N 3.35Å; F95-S97 PolarHBondContact O-N 3.34Å; F95-L98 PolarHBondContact O-N 3.04Å; F95-E99 PolarHBondContact O-N 3.01Å
96H93.1Very high93.2Very high4 Ų480.6 Ų80.62%0.01939%0.386CS..Hα-helixtrans-60.4-43.6176-176.1-66.5000112.1Y23 I36 P37 P39 L92 R93 K94 L98 F100 Y103Y23-H96 HydrophobicContact CD2-CB 3.62Å; Y23-H96 AromaticContact CE1-CD2 3.9Å; Y23-H96 HydrophobicContact CE2-CB 4Å; Y23-H96 AromaticContact CE2-CD2 3.81Å; Y23-H96 HydrophobicContact CG-CB 4.06Å; Y23-H96 AromaticContact CZ-CD2 3.71Å; I36-H96 VanDerWaalsContact CG2-NE2 3.32Å; I36-H96 WeakPolarHBondContact CG2-NE2 3.48Å; P37-H96 PolarHBondContact O-NE2 3.01Å; P37-H96 VanDerWaalsContact O-NE2 3.11Å; P39-H96 HydrophobicContact CB-CB 4.11Å; P39-H96 HydrophobicContact CG-CB 4.42Å; L92-H96 VanDerWaalsContact O-CB 3.3Å; L92-H96 WeakPolarHBondContact O-CB 3.5Å; L92-H96 PolarHBondContact O-N 3.16Å; R93-H96 PolarHBondContact O-N 3.4Å; K94-H96 VanDerWaalsContact C-N 3.31Å; K94-H96 PolarHBondContact O-N 3.28Å; H96-L98 VanDerWaalsContact C-N 3.31Å; H96-F100 AromaticContact CE1-CD2 3.89Å; H96-F100 AromaticContact NE2-CD2 3.89Å; H96-F100 PolarHBondContact O-N 3Å; H96-Y103 AromaticContact CE1-CD1 3.36Å; H96-Y103 WeakPolarHBondContact CE1-CD1 3.4Å; H96-Y103 AromaticContact CE1-CD2 3.77Å; H96-Y103 AromaticContact CE1-CE1 3.72Å; H96-Y103 AromaticContact CE1-CG 3.38Å
97S93Very high93.1Very high77 Ų7780.9 Ų80.954%0.53840%0.395SS..Hα-helixtrans-68.5-30178.3-63.50000113.1R93 K94 F95R93-S97 PolarHBondContact O-N 3.45Å; R93-S97 PolarHBondContact O-OG 3.45Å; K94-S97 PolarHBondContact O-N 2.91Å; F95-S97 VanDerWaalsContact C-N 3.35Å; F95-S97 PolarHBondContact O-N 3.34Å
98L91.8Very high92.9Very high114 Ų11483.4 Ų83.460%0.59740%0.4SS*.Hα-helixtrans-72.6-45.4175.6-69.5172.8000111.8K94 F95 H96K94-L98 HydrophobicContact CG-CD1 4.33Å; K94-L98 WeakPolarHBondContact O-CG 3.45Å; K94-L98 PolarHBondContact O-N 3.46Å; F95-L98 PolarHBondContact O-N 3.04Å; H96-L98 VanDerWaalsContact C-N 3.31Å
99E90.3Very high92.9Very high38 Ų3890.9 Ų90.918%0.17843%0.434CS..Hα-helixtrans-73.8-34.2-179.2-167.2171.8157.700112.1T21 P22 Y23 T24 F95 P101T21-E99 WeakPolarHBondContact CA-OE2 3.42Å; T21-E99 WeakPolarHBondContact CB-OE1 3.43Å; P22-E99 HydrophobicContact CG-CB 4.48Å; Y23-E99 WeakPolarHBondContact CA-OE2 3.08Å; Y23-E99 WeakPolarHBondContact CB-OE2 3.23Å; Y23-E99 PolarHBondContact N-OE2 3.1Å; T24-E99 WeakPolarHBondContact CB-OE1 3.39Å; T24-E99 PolarHBondContact N-OE2 2.97Å; T24-E99 VanDerWaalsContact N-OE2 3.09Å; T24-E99 PolarHBondContact OG1-OE1 2.92Å; F95-E99 PolarHBondContact O-N 3.01Å; E99-P101 WeakPolarHBondContact O-CD 3.43Å
100F91.9Very high92.5Very high33 Ų33101 Ų10115%0.14547%0.471CS..  trans-125.271.7-177.9-50.1-65.8000112.3Y23 V31 I36 H96 S102 Y103Y23-F100 AromaticContact CD1-CE2 3.85Å; Y23-F100 HydrophobicContact CD1-CE2 3.85Å; Y23-F100 HydrophobicContact CE1-CE2 4.48Å; V31-F100 HydrophobicContact CB-CZ 4.42Å; V31-F100 HydrophobicContact CG1-CE1 4.36Å; V31-F100 HydrophobicContact CG1-CZ 3.87Å; V31-F100 HydrophobicContact CG2-CZ 4.33Å; I36-F100 HydrophobicContact CD1-CB 3.99Å; I36-F100 HydrophobicContact CD1-CD1 3.53Å; I36-F100 HydrophobicContact CD1-CE1 4.18Å; I36-F100 HydrophobicContact CD1-CG 3.79Å; I36-F100 HydrophobicContact CG1-CD1 3.86Å; I36-F100 HydrophobicContact CG1-CE1 4.03Å; I36-F100 HydrophobicContact CG1-CG 4.18Å; I36-F100 HydrophobicContact CG1-CZ 4.48Å; I36-F100 HydrophobicContact CG2-CB 4.44Å; I36-F100 HydrophobicContact CG2-CD1 4.35Å; I36-F100 HydrophobicContact CG2-CD2 3.61Å; I36-F100 HydrophobicContact CG2-CE2 3.89Å; I36-F100 HydrophobicContact CG2-CG 3.87Å; I36-F100 HydrophobicContact CG2-CZ 4.38Å; H96-F100 AromaticContact CE1-CD2 3.89Å; H96-F100 AromaticContact NE2-CD2 3.89Å; H96-F100 PolarHBondContact O-N 3Å; F100-S102 VanDerWaalsContact C-N 3.25Å; F100-S102 PolarHBondContact O-N 3.37Å; F100-Y103 VanDerWaalsContact O-CB 3.25Å; F100-Y103 WeakPolarHBondContact O-CB 3.32Å; F100-Y103 PolarHBondContact O-N 3.4Å; F100-Y103 VanDerWaalsContact O-N 3.09Å
101P92.7Very high92.1Very high110 Ų110105.2 Ų105.271%0.71449%0.487SS*.THydrogen-bonded Turntrans-64.6-26.9-176.825.3-34.7000113.6E99E99-P101 WeakPolarHBondContact O-CD 3.43Å
102S92.9Very high91.6Very high110 Ų110107.8 Ų107.877%0.76951%0.51SS*.THydrogen-bonded Turntrans-89.62.6177.462.40000113.9F100 K104F100-S102 VanDerWaalsContact C-N 3.25Å; F100-S102 PolarHBondContact O-N 3.37Å; S102-K104 PolarHBondContact O-N 2.91Å
103Y94Very high90.8Very high69 Ų69116.9 Ų116.927%0.27155%0.549SS..  trans-63.3129-178.5172.7-100.9000111.9I36 H96 F100I36-Y103 HydrophobicContact CB-CD2 3.8Å; I36-Y103 HydrophobicContact CB-CE2 4.08Å; I36-Y103 HydrophobicContact CD1-CD2 4.29Å; I36-Y103 HydrophobicContact CG2-CD2 3.6Å; I36-Y103 HydrophobicContact CG2-CE2 3.89Å; I36-Y103 HydrophobicContact CG2-CG 4.42Å; H96-Y103 AromaticContact CE1-CD1 3.36Å; H96-Y103 WeakPolarHBondContact CE1-CD1 3.4Å; H96-Y103 AromaticContact CE1-CD2 3.77Å; H96-Y103 AromaticContact CE1-CE1 3.72Å; H96-Y103 AromaticContact CE1-CG 3.38Å; F100-Y103 VanDerWaalsContact O-CB 3.25Å; F100-Y103 WeakPolarHBondContact O-CB 3.32Å; F100-Y103 PolarHBondContact O-N 3.4Å; F100-Y103 VanDerWaalsContact O-N 3.09Å
104K94.1Very high89.9Confident153 Ų153114.5 Ų114.567%0.66556%0.559SS**  trans-134.2128.5172-172.3171.1-175.7172.10109.8S102 R106S102-K104 PolarHBondContact O-N 2.91Å; K104-R106 PolarHBondContact O-N 3.15Å; K104-R106 VanDerWaalsContact O-N 3.13Å
105Y94.7Very high88.8Confident115 Ų115114.3 Ų114.345%0.45157%0.57SS.*  trans-66.8113.1176.1172.6-128.6000110.7R38 P107R38-Y105 VanDerWaalsContact CZ-OH 3.23Å; R38-Y105 VanDerWaalsContact NH1-CZ 3.33Å; R38-Y105 PolarHBondContact NH1-OH 2.99Å; R38-Y105 PolarHBondContact NH2-OH 2.9Å; Y105-P107 HydrophobicContact CE1-CB 4.38Å; Y105-P107 HydrophobicContact CE1-CG 4.12Å; Y105-P107 HydrophobicContact CE2-CB 4.12Å; Y105-P107 HydrophobicContact CE2-CG 4.49Å; Y105-P107 WeakPolarHBondContact OH-CB 3.25Å
106R92.3Very high87.4Confident207 Ų207123 Ų12378%0.78161%0.607SS**  trans-117.689.5178-65.3-179.9-175.8-138.63.6109.7K104 R108K104-R106 PolarHBondContact O-N 3.15Å; K104-R106 VanDerWaalsContact O-N 3.13Å; R106-R108 PolarHBondContact O-N 3.21Å
107P92.7Very high85.9Confident87 Ų87130.9 Ų130.957%0.56565%0.649SS**PPolyproline II helixtrans-59.6127.5176.919.1-27.5000111.1Y105Y105-P107 HydrophobicContact CE1-CB 4.38Å; Y105-P107 HydrophobicContact CE1-CG 4.12Å; Y105-P107 HydrophobicContact CE2-CB 4.12Å; Y105-P107 HydrophobicContact CE2-CG 4.49Å; Y105-P107 WeakPolarHBondContact OH-CB 3.25Å
108R90.9Very high84.1Confident203 Ų203135.6 Ų135.677%0.76666%0.663SS**PPolyproline II helixtrans-84.4117170.4-177.2176.3-178-93.62.7109.3R106 R110R106-R108 PolarHBondContact O-N 3.21Å; R108-R110 PolarHBondContact O-N 3.39Å
109K91.4Very high82.1Confident181 Ų181133.3 Ų133.379%0.78767%0.667SS**PPolyproline II helixtrans-62.3119.8168.5-168.8174.6-177.9-179.10107.9
110R86.1Confident80.1Confident217 Ų217141.3 Ų141.382%0.81970%0.701SS**PPolyproline II helixtrans-74.7126.5168.1-64.8-174.2179-162.5-1.3106.4R108R108-R110 PolarHBondContact O-N 3.39Å
111M86.7Confident78.5Confident153 Ų153148.4 Ų148.475%0.75473%0.727SS**PPolyproline II helixtrans-60.3135.1166.9-66.9-58.3-170.600107.7K113M111-K113 PolarHBondContact O-N 3.28Å
112P82.3Confident76.6Confident118 Ų118147.6 Ų147.677%0.76672%0.724SS**PPolyproline II helixtrans-53.6116.8174.8-22.932.7000108.6
113K76Confident75Confident199 Ų199151.1 Ų151.187%0.86573%0.726SS**PPolyproline II helixtrans-67.4137.8160.7-67.2-175.6177.5-173.10105.5M111M111-K113 PolarHBondContact O-N 3.28Å
114A76.6Confident73.5Confident86 Ų86153.1 Ų153.171%0.71175%0.747SS**  trans-43.3135.6176.800000109.9K116A114-K116 PolarHBondContact O-N 3Å
115P69.9Low71.7Confident120 Ų120150.3 Ų150.378%0.77975%0.753SS**  trans-58.2111-171.321-30.5000109.8L117P115-L117 PolarHBondContact O-N 3.22Å
116K62.6Low70.4Confident188 Ų188148.5 Ų148.582%0.81775%0.751SS**  trans-69.6107.9158.8-80.7-171.3173.1-167.90105.9A114 E118A114-K116 PolarHBondContact O-N 3Å; K116-E118 PolarHBondContact O-N 3.32Å
117L61Low69.3Low171 Ų171145 Ų14590%0.89576%0.755SS**  trans-62.286.1169.6-72.1162.7000108.2P115P115-L117 PolarHBondContact O-N 3.22Å
118E55.4Low67.8Low175 Ų175147.7 Ų147.782%0.81876%0.764SS**  trans-155.3104.3172.8-116.1169.3-170.800111K116K116-E118 PolarHBondContact O-N 3.32Å
119G48.5Very low66Low66 Ų66148.1 Ų148.168%0.6877%0.766SS**  trans75.288.7155.100000117R121G119-R121 VanDerWaalsContact C-N 3.26Å; G119-R121 PolarHBondContact O-N 2.71Å
120F50.2Low64.1Low206 Ų206150 Ų15090%0.90477%0.768SS**  trans-57.890.4156.3-167.1-94.8000108.5S122F120-S122 PolarHBondContact O-N 3.18Å
121R57.3Low62.4Low182 Ų182146.8 Ų146.869%0.68777%0.766SS**  trans-70.2100.1170.5-67.8-172-171.2-150.90.5106.9G119 F123G119-R121 VanDerWaalsContact C-N 3.26Å; G119-R121 PolarHBondContact O-N 2.71Å; R121-F123 PolarHBondContact O-N 2.97Å
122S53.3Low60.4Low94 Ų94147.7 Ų147.766%0.65777%0.769SS**  trans-52.3111169.447.70000109.2F120 P124F120-S122 PolarHBondContact O-N 3.18Å; S122-P124 WeakPolarHBondContact O-CD 3.37Å
123F59.4Low58.8Low184 Ų184147.2 Ų147.281%0.80776%0.764SS**PPolyproline II helixtrans-66.7123.6164.6-70.2-86.5000107R121 A125R121-F123 PolarHBondContact O-N 2.97Å; F123-A125 PolarHBondContact O-N 3.27Å; F123-A125 VanDerWaalsContact O-N 3.15Å
124P61.7Low57.5Low111 Ų111143.2 Ų143.272%0.72176%0.756SS**PPolyproline II helixtrans-59.3123.4169.323.7-30000107.6S122 D126S122-P124 WeakPolarHBondContact O-CD 3.37Å; P124-D126 PolarHBondContact O-N 3.43Å
125A57.1Low56.2Low94 Ų94143.8 Ų143.878%0.77776%0.761SS**PPolyproline II helixtrans-58.1125.4176.600000108.8F123 P127F123-A125 PolarHBondContact O-N 3.27Å; F123-A125 VanDerWaalsContact O-N 3.15Å; A125-P127 VanDerWaalsContact O-CD 3.23Å; A125-P127 WeakPolarHBondContact O-CD 3.47Å
126D66.7Low55.5Low76 Ų76144 Ų14441%0.40676%0.76SS.*  trans-69.7113172.6-172.3-24.5000107.7K75 P124 N128 R129K75-D126 IonicContact NZ-OD2 3.92Å; K75-D126 PolarHBondContact NZ-OD2 3.49Å; P124-D126 PolarHBondContact O-N 3.43Å; D126-N128 PolarHBondContact O-N 3.31Å; D126-N128 VanDerWaalsContact O-N 3.09Å; D126-N128 WeakPolarHBondContact OD1-CB 3.33Å; D126-N128 PolarHBondContact OD1-N 3.31Å; D126-R129 PolarHBondContact O-N 3.3Å
127P70.2Confident55.3Low135 Ų135145.4 Ų145.488%0.87776%0.76SS**THydrogen-bonded Turntrans-67.1-7.8-178.927.2-32.9000112.8A125A125-P127 VanDerWaalsContact O-CD 3.23Å; A125-P127 WeakPolarHBondContact O-CD 3.47Å
128N60.5Low55.3Low142 Ų142142.6 Ų142.676%0.75975%0.752SS**THydrogen-bonded Turntrans-106.314.8179-138.5-19.5000113.3D126 R130D126-N128 PolarHBondContact O-N 3.31Å; D126-N128 VanDerWaalsContact O-N 3.09Å; D126-N128 WeakPolarHBondContact OD1-CB 3.33Å; D126-N128 PolarHBondContact OD1-N 3.31Å; N128-R130 VanDerWaalsContact C-N 3.29Å; N128-R130 PolarHBondContact O-N 3.49Å
129R53.9Low55.9Low212 Ų212139.6 Ų139.680%0.875%0.748SS**  trans-75.784.4171.3-164.8176.1-166.7-171.81.5109.5D126 L131D126-R129 PolarHBondContact O-N 3.3Å; R129-L131 PolarHBondContact O-N 3.36Å
130R50.3Low56.8Low222 Ų222141.5 Ų141.584%0.83875%0.746SS**  trans-51113168.2-163.8177.3-136.4-167.33.8108.7N128 E132N128-R130 VanDerWaalsContact C-N 3.29Å; N128-R130 PolarHBondContact O-N 3.49Å; R130-E132 VanDerWaalsContact C-N 3.31Å; R130-E132 PolarHBondContact O-N 3.17Å
131L52.1Low57.2Low148 Ų148137.4 Ų137.478%0.77574%0.742SS**  trans-66.190.3170.8-72.5162.4000108R129 T133R129-L131 PolarHBondContact O-N 3.36Å; L131-T133 PolarHBondContact O-N 3.24Å
132E44.4Very low57.2Low172 Ų172135.8 Ų135.880%0.80474%0.742SS**  trans-84.772.7153.2-123.8168.6143.300106.8R130R130-E132 VanDerWaalsContact C-N 3.31Å; R130-E132 PolarHBondContact O-N 3.17Å
133T48.1Very low57.4Low109 Ų109137.9 Ų137.967%0.66975%0.753SS**  trans-106.875.1164.4-52.50000106.7L131L131-T133 PolarHBondContact O-N 3.24Å
134T48.4Very low57.4Low115 Ų115134.4 Ų134.471%0.70675%0.752SS**  trans-112.199.4146.5410000105.4V136T134-V136 PolarHBondContact O-N 3.03Å
135A49.2Very low57Low98 Ų98134.9 Ų134.981%0.8176%0.757SS**  trans-66.475167.100000108.7R137A135-R137 PolarHBondContact O-N 2.9Å
136V54.7Low56.6Low125 Ų125134.3 Ų134.376%0.75875%0.753SS**  trans-85.199.4159.8-176.50000105.2T134T134-V136 PolarHBondContact O-N 3.03Å
137R58.2Low56Low216 Ų216137.4 Ų137.482%0.81578%0.775SS**PPolyproline II helixtrans-48.6128.9171.2-73.9168.5131.5-128.71.3108.2A135A135-R137 PolarHBondContact O-N 2.9Å
138P60.9Low55.1Low112 Ų112136.9 Ų136.973%0.72777%0.772SS**PPolyproline II helixtrans-59.7132.7167.825.2-31.4000107.9V140P138-V140 PolarHBondContact O-N 3.06Å
139P68Low54.7Low113 Ų113133.6 Ų133.673%0.73477%0.772SS**PPolyproline II helixtrans-59.6128.3173.124.6-31.6000108.3C141P139-C141 PolarHBondContact O-N 3.07Å
140V67.6Low55.1Low105 Ų105131.3 Ų131.364%0.63677%0.774SS**  trans-69.3102.5173.9-173.30000106.2P138 H142P138-V140 PolarHBondContact O-N 3.06Å; V140-H142 PolarHBondContact O-N 3.46Å; V140-H142 VanDerWaalsContact O-N 3.16Å; V140-H142 PolarHBondContact O-NE2 3.47Å
141C58.4Low55.3Low120 Ų120128.1 Ų128.181%0.81177%0.773SS**  trans-72.2107.5171.5-73.90000108.7P139P139-C141 PolarHBondContact O-N 3.07Å
142H58.1Low55.7Low149 Ų149128.1 Ų128.169%0.6977%0.773SS**  trans-77.6129.8171.2-48.1-57.5000109V140 S144V140-H142 PolarHBondContact O-N 3.46Å; V140-H142 VanDerWaalsContact O-N 3.16Å; V140-H142 PolarHBondContact O-NE2 3.47Å; H142-S144 VanDerWaalsContact C-N 3.28Å; H142-S144 PolarHBondContact O-N 3.1Å
143P57.6Low56.4Low138 Ų138127.2 Ų127.290%0.89677%0.769SS**SBendtrans-81.474.5-179.733.5-33.2000109.6
144S58.5Low57Low111 Ų111133.8 Ų133.878%0.77678%0.781SS**  trans-163.556.4173.3-172.20000112.9H142H142-S144 VanDerWaalsContact C-N 3.28Å; H142-S144 PolarHBondContact O-N 3.1Å
145S53.3Low57.7Low120 Ų120135.9 Ų135.984%0.83978%0.783SS**  trans-171.4141.9145.759.80000110.2
146A49.5Very low58.2Low82 Ų82139.3 Ų139.368%0.67878%0.782SS**  trans-67.5160.4-176.100000113
147T55.1Low58.6Low142 Ų142144.6 Ų144.687%0.87179%0.789SS**  trans62.598.7153.236.80000117.7
148C51.1Low58.7Low123 Ų123142 Ų14283%0.83179%0.79SS**  trans-148.9107.8135.9-166.40000108.4
149G51.6Low59Low73 Ų73147 Ų14775%0.75382%0.818SS**  trans-79.4138.7170.200000109.9
150I61.3Low58.5Low165 Ų165148.8 Ų148.885%0.84682%0.823SS**  trans-136.2118.3146.7-64.7-169.5000107.9
151L55.1Low58.1Low155 Ų155151.1 Ų151.181%0.81283%0.832SS**  trans-74.3128.5170.2-170.595.7000109.1
152L60Low58Low148 Ų148152.8 Ų152.878%0.77583%0.834SS**  trans-173.794.7146.9-141.163.2000108.4
153E59.9Low58Low153 Ų153153 Ų15372%0.71584%0.842SS**  111.410177-161.5159.6135.500108.5
154R59.6Low58.1Low247 Ų247153.9 Ų153.993%0.93284%0.839SS**  trans-87116171.7-103.5174.2159.9171.8-4.3107.2Q156R154-Q156 PolarHBondContact O-N 3.39Å
155Q64.1Low58Low158 Ų158156.8 Ų156.874%0.73884%0.843SS**  trans-80.5111.6161.6-77.2-155.8-3.200111.1
156Q59.8Low58.4Low170 Ų170159.4 Ų159.479%0.79484%0.843SS**  64.2104.9129.8-58.5178.86.700119.6R154R154-Q156 PolarHBondContact O-N 3.39Å
157R64Low59.1Low237 Ų237165.4 Ų165.489%0.89486%0.856SS**  trans-105.5128.4150.7-88-175.8178.5-161-1.1108.5
158L58.7Low59.4Low160 Ų160167.3 Ų167.384%0.83886%0.855SS**  trans44.5105.5138.8-70.3152.6000119
159V67.5Low60.1Low219 Ų219171.4 Ų171.4100%1.32786%0.857SS**  -125.80122.7-88.10000107.9

Retrieved 159 of 159 residues in 162.2 ms (Link to these results)

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