A0A096NEV3_PAPAN Loading...

Integrator complex subunit 12

Component of the integrator complex, a multiprotein complex that terminates RNA polymerase II (Pol II) transcription in the promoter-proximal region of genes. The integrator complex provides a quality checkpoint during transcription elongation by driving premature transcription termination of transcripts that are unfavorably configured for transcriptional elongation: the complex terminates transcription by (1) catalyzing dephosphorylation of the C-terminal domain (CTD) of Pol II subunit POLR2A/RPB1 and SUPT5H/SPT5, (2) degrading the exiting nascent RNA transcript via endonuclease activity and (3) promoting the release of Pol II from bound DNA. The integrator complex is also involved in terminating the synthesis of non-coding Pol II transcripts, such as enhancer RNAs (eRNAs), small nuclear RNAs (snRNAs), telomerase RNAs and long non-coding RNAs (lncRNAs). Mediates recruitment of cytoplasmic dynein to the nuclear envelope, probably as component of the integrator complex.

AlphaFold DB (Q8WNV2), UniProt , Accession A0A096NEV3, Species PAPAN (Papio anubis, Olive baboon), Gene INTS12, Length 462 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
1M41.9Very low61.1Low249 Ų249124.5 Ų124.5100%1.22772%0.724SS**  0118.30-68165.7176.400107.5
2A43.5Very low63.3Low99 Ų99115.3 Ų115.382%0.81867%0.669SS**  trans-82.5115.9173.500000108.4T4A2-T4 PolarHBondContact O-N 2.84Å
3A50.1Low65.4Low94 Ų94114.1 Ų114.178%0.77765%0.651SS**  trans-71.998166.700000107.5V5A3-V5 PolarHBondContact O-N 3.15Å
4T49.5Very low67.1Low125 Ų125112.7 Ų112.777%0.76764%0.64SS**  trans-57.2109.4165.940.60000107.8A2 N6A2-T4 PolarHBondContact O-N 2.84Å; T4-N6 PolarHBondContact O-N 2.81Å
5V53Low68.7Low138 Ų138112 Ų11284%0.83663%0.627SS**  trans-69.772.4166.3-77.40000108.5A3 L7A3-V5 PolarHBondContact O-N 3.15Å; V5-L7 PolarHBondContact O-N 3.44Å
6N50.3Low70.1Confident121 Ų121106.4 Ų106.465%0.64760%0.6SS**  trans-6685163.5-169.940.5000106.2T4 E8T4-N6 PolarHBondContact O-N 2.81Å; N6-E8 PolarHBondContact O-N 3.25Å
7L61.3Low71.4Confident140 Ų140104.1 Ų104.173%0.73359%0.585SS**  trans-73.583.3177.1-164.276.6000106.3V5 L9V5-L7 PolarHBondContact O-N 3.44Å; L7-L9 HydrophobicContact CD2-CD2 4.39Å; L7-L9 PolarHBondContact O-N 2.91Å
8E70.9Confident72.5Confident164 Ų164101 Ų10177%0.76658%0.58SS**  trans-70.877.9-175-162.8168.9148.400109.6N6N6-E8 PolarHBondContact O-N 3.25Å
9L80Confident73.6Confident79 Ų7998.5 Ų98.541%0.41456%0.562SS.*  trans-58.4136.4173.1-68.6170.1000109.1L7 F13 L14L7-L9 HydrophobicContact CD2-CD2 4.39Å; L7-L9 PolarHBondContact O-N 2.91Å; L9-F13 HydrophobicContact CB-CD1 4.13Å; L9-F13 HydrophobicContact CD1-CD1 4.11Å; L9-F13 HydrophobicContact CD1-CE1 4.07Å; L9-F13 HydrophobicContact CD2-CD1 4Å; L9-F13 HydrophobicContact CD2-CE1 4.04Å; L9-F13 HydrophobicContact CG-CD1 4.31Å; L9-L14 HydrophobicContact CB-CD1 3.41Å; L9-L14 VanDerWaalsContact CB-CD1 3.41Å; L9-L14 HydrophobicContact CD1-CD1 3.93Å; L9-L14 HydrophobicContact CG-CD1 4.33Å
10D83.3Confident74.5Confident61 Ų6199.2 Ų99.233%0.32656%0.563SS.*  trans-47.9130179-174.3-30.2000110.2I12 F13 L14 R41D10-I12 PolarHBondContact O-N 2.95Å; D10-I12 VanDerWaalsContact O-N 3.08Å; D10-I12 WeakPolarHBondContact OD1-CB 3.43Å; D10-I12 PolarHBondContact OD1-N 3.25Å; D10-F13 HydrophobicContact CB-CB 4.23Å; D10-F13 WeakPolarHBondContact O-CA 3.35Å; D10-F13 VanDerWaalsContact O-CB 3.31Å; D10-F13 WeakPolarHBondContact O-CB 3.05Å; D10-F13 PolarHBondContact O-N 3.24Å; D10-L14 PolarHBondContact O-N 3.39Å; D10-L14 VanDerWaalsContact O-N 3.11Å; D10-R41 IonicContact OD1-NH1 2.65Å; D10-R41 IonicContact OD1-NH2 3.72Å; D10-R41 IonicContact OD2-CZ 3.99Å; D10-R41 IonicContact OD2-NH1 3.66Å; D10-R41 IonicContact OD2-NH2 2.75Å; D10-R41 PolarHBondContact OD2-NH2 3.4Å
11P88.1Confident75.2Confident100 Ų100101.9 Ų101.965%0.64957%0.571SS**Hα-helixtrans-54.1-27.9175.720.7-33.3000113.1K15P11-K15 WeakPolarHBondContact O-CB 3.47Å; P11-K15 PolarHBondContact O-N 3.18Å
12I87.7Confident77.5Confident14 Ų1492.3 Ų92.37%0.07253%0.528CS..Hα-helixtrans-66.1-38.1170.8-60.7-156.3000111.8D10 K15 A16 L34 E37D10-I12 PolarHBondContact O-N 2.95Å; D10-I12 VanDerWaalsContact O-N 3.08Å; D10-I12 WeakPolarHBondContact OD1-CB 3.43Å; D10-I12 PolarHBondContact OD1-N 3.25Å; I12-K15 PolarHBondContact O-N 3.49Å; I12-A16 VanDerWaalsContact O-CB 3.29Å; I12-A16 WeakPolarHBondContact O-CB 3.37Å; I12-A16 PolarHBondContact O-N 3.37Å; I12-L34 HydrophobicContact CG2-CB 3.89Å; I12-L34 HydrophobicContact CG2-CD1 4.45Å; I12-L34 HydrophobicContact CG2-CD2 4.2Å; I12-L34 HydrophobicContact CG2-CG 4.38Å; I12-E37 HydrophobicContact CD1-CB 4.37Å; I12-E37 VanDerWaalsContact CD1-CD 3.46Å; I12-E37 HydrophobicContact CD1-CG 3.69Å; I12-E37 WeakPolarHBondContact CD1-OE1 3.29Å
13F90.4Very high79.7Confident99 Ų9997.8 Ų97.843%0.43453%0.534SS..Hα-helixtrans-67.2-42.9175.5-178.5-103.1000111.9L9 D10 K15 A16 L17L9-F13 HydrophobicContact CB-CD1 4.13Å; L9-F13 HydrophobicContact CD1-CD1 4.11Å; L9-F13 HydrophobicContact CD1-CE1 4.07Å; L9-F13 HydrophobicContact CD2-CD1 4Å; L9-F13 HydrophobicContact CD2-CE1 4.04Å; L9-F13 HydrophobicContact CG-CD1 4.31Å; D10-F13 HydrophobicContact CB-CB 4.23Å; D10-F13 WeakPolarHBondContact O-CA 3.35Å; D10-F13 VanDerWaalsContact O-CB 3.31Å; D10-F13 WeakPolarHBondContact O-CB 3.05Å; D10-F13 PolarHBondContact O-N 3.24Å; F13-K15 PolarHBondContact O-N 2.91Å; F13-A16 PolarHBondContact O-N 3.22Å; F13-L17 HydrophobicContact CD1-CD1 4Å; F13-L17 HydrophobicContact CD1-CG 4.44Å; F13-L17 HydrophobicContact CE1-CD1 3.56Å; F13-L17 HydrophobicContact CE1-CG 4.12Å; F13-L17 HydrophobicContact CZ-CD1 4.07Å; F13-L17 HydrophobicContact CZ-CD2 4.28Å; F13-L17 HydrophobicContact CZ-CG 4.23Å; F13-L17 WeakPolarHBondContact O-CG 3.48Å; F13-L17 PolarHBondContact O-N 2.7Å
14L89.9Confident81.5Confident95 Ų9595.5 Ų95.550%0.49751%0.512SS..Hα-helixtrans-58.7-46.7172.2-97.364000111.8L9 D10 A16 L17 G18L9-L14 HydrophobicContact CB-CD1 3.41Å; L9-L14 VanDerWaalsContact CB-CD1 3.41Å; L9-L14 HydrophobicContact CD1-CD1 3.93Å; L9-L14 HydrophobicContact CG-CD1 4.33Å; D10-L14 PolarHBondContact O-N 3.39Å; D10-L14 VanDerWaalsContact O-N 3.11Å; L14-A16 VanDerWaalsContact C-N 3.3Å; L14-A16 PolarHBondContact O-N 2.78Å; L14-L17 PolarHBondContact O-N 3.09Å; L14-G18 PolarHBondContact O-N 3.5Å
15K90Very high83.3Confident102 Ų10299.1 Ų99.144%0.44352%0.517SS..Hα-helixtrans-62.8-37177.8-166.1-178.6173.6-164.30111.3P11 I12 F13 G18 F19 L34 E37P11-K15 WeakPolarHBondContact O-CB 3.47Å; P11-K15 PolarHBondContact O-N 3.18Å; I12-K15 PolarHBondContact O-N 3.49Å; F13-K15 PolarHBondContact O-N 2.91Å; K15-G18 PolarHBondContact O-N 3.39Å; K15-F19 HydrophobicContact CG-CD2 4.41Å; K15-F19 HydrophobicContact CG-CE2 3.91Å; K15-F19 WeakPolarHBondContact O-CD2 3.45Å; K15-F19 PolarHBondContact O-N 2.98Å; K15-L34 HydrophobicContact CB-CD1 4.02Å; K15-L34 HydrophobicContact CD-CD1 4.22Å; K15-L34 HydrophobicContact CD-CD2 3.68Å; K15-L34 HydrophobicContact CG-CD1 3.91Å; K15-L34 HydrophobicContact CG-CD2 4.28Å; K15-E37 IonicContact NZ-OE2 3.89Å
16A91.5Very high85.1Confident23 Ų2397.2 Ų97.219%0.1950%0.502CS..Hα-helixtrans-68.7-42173.900000112.8I12 F13 L14 G18 F19 L20 L31 L34I12-A16 VanDerWaalsContact O-CB 3.29Å; I12-A16 WeakPolarHBondContact O-CB 3.37Å; I12-A16 PolarHBondContact O-N 3.37Å; F13-A16 PolarHBondContact O-N 3.22Å; L14-A16 VanDerWaalsContact C-N 3.3Å; L14-A16 PolarHBondContact O-N 2.78Å; A16-G18 VanDerWaalsContact C-N 3.31Å; A16-G18 PolarHBondContact O-N 2.9Å; A16-F19 PolarHBondContact O-N 3.48Å; A16-L20 WeakPolarHBondContact O-CB 3.46Å; A16-L20 PolarHBondContact O-N 2.98Å; A16-L31 HydrophobicContact CB-CD2 3.99Å; A16-L31 WeakPolarHBondContact O-CD2 3.28Å; A16-L34 HydrophobicContact CB-CD1 3.93Å
17L91.9Very high87.1Confident67 Ų6792.5 Ų92.535%0.35148%0.479SS..Hα-helixtrans-59.2-43.1172.1-71.8174.9000111.5F13 L14 F19 L20 H21F13-L17 HydrophobicContact CD1-CD1 4Å; F13-L17 HydrophobicContact CD1-CG 4.44Å; F13-L17 HydrophobicContact CE1-CD1 3.56Å; F13-L17 HydrophobicContact CE1-CG 4.12Å; F13-L17 HydrophobicContact CZ-CD1 4.07Å; F13-L17 HydrophobicContact CZ-CD2 4.28Å; F13-L17 HydrophobicContact CZ-CG 4.23Å; F13-L17 WeakPolarHBondContact O-CG 3.48Å; F13-L17 PolarHBondContact O-N 2.7Å; L14-L17 PolarHBondContact O-N 3.09Å; L17-F19 PolarHBondContact O-N 3.43Å; L17-L20 PolarHBondContact O-N 3.45Å; L17-H21 PolarHBondContact O-N 3.46Å
18G91.9Very high88.6Confident48 Ų4888.6 Ų88.650%0.49547%0.467SS..Hα-helixtrans-58.4-43.2174.300000113.2L14 K15 A16 S22L14-G18 PolarHBondContact O-N 3.5Å; K15-G18 PolarHBondContact O-N 3.39Å; A16-G18 VanDerWaalsContact C-N 3.31Å; A16-G18 PolarHBondContact O-N 2.9Å; G18-S22 WeakPolarHBondContact O-CB 3.18Å; G18-S22 PolarHBondContact O-N 3.43Å
19F92.6Very high89.7Confident53 Ų5387.3 Ų87.323%0.23246%0.461CS..Hα-helixtrans-72.2-31.8174.6-71.5-56.8000113.6K15 A16 L17 H21 S22 S27 K30 L31 L34K15-F19 HydrophobicContact CG-CD2 4.41Å; K15-F19 HydrophobicContact CG-CE2 3.91Å; K15-F19 WeakPolarHBondContact O-CD2 3.45Å; K15-F19 PolarHBondContact O-N 2.98Å; A16-F19 PolarHBondContact O-N 3.48Å; L17-F19 PolarHBondContact O-N 3.43Å; F19-H21 VanDerWaalsContact C-N 3.28Å; F19-H21 PolarHBondContact O-N 3.27Å; F19-S22 WeakPolarHBondContact O-CB 3.45Å; F19-S22 PolarHBondContact O-N 3.06Å; F19-S22 VanDerWaalsContact O-N 3.09Å; F19-S27 WeakPolarHBondContact O-CB 3.33Å; F19-K30 HydrophobicContact CD1-CB 3.87Å; F19-K30 HydrophobicContact CD1-CG 4.21Å; F19-K30 HydrophobicContact CD2-CB 3.72Å; F19-K30 HydrophobicContact CE1-CB 3.8Å; F19-K30 HydrophobicContact CE1-CG 3.76Å; F19-K30 HydrophobicContact CE2-CB 3.63Å; F19-K30 HydrophobicContact CE2-CG 4.25Å; F19-K30 HydrophobicContact CG-CB 3.85Å; F19-K30 HydrophobicContact CZ-CB 3.69Å; F19-K30 HydrophobicContact CZ-CD 4.48Å; F19-K30 HydrophobicContact CZ-CG 3.78Å; F19-L31 HydrophobicContact CB-CD2 3.99Å; F19-L31 HydrophobicContact CB-CG 3.87Å; F19-L34 HydrophobicContact CD2-CD1 3.77Å; F19-L34 HydrophobicContact CE2-CD1 4.08Å
20L91.5Very high90.3Very high113 Ų11388.6 Ų88.659%0.59246%0.463SS*.Hα-helixtrans-63.8-33.6177.2-174.964000112.4A16 L17 L31A16-L20 WeakPolarHBondContact O-CB 3.46Å; A16-L20 PolarHBondContact O-N 2.98Å; L17-L20 PolarHBondContact O-N 3.45Å; L20-L31 HydrophobicContact CD1-CD1 4.49Å
21H90.3Very high90.9Very high156 Ų15687.8 Ų87.872%0.72246%0.458SS*.THydrogen-bonded Turntrans-91.8-3.4174-62.5174.4000113.3L17 F19L17-H21 PolarHBondContact O-N 3.46Å; F19-H21 VanDerWaalsContact C-N 3.28Å; F19-H21 PolarHBondContact O-N 3.27Å
22S90Very high91.1Very high47 Ų4790.1 Ų90.133%0.32946%0.458SS..  trans-75.9128.1-178.6-172.20000111.9G18 F19 S24G18-S22 WeakPolarHBondContact O-CB 3.18Å; G18-S22 PolarHBondContact O-N 3.43Å; F19-S22 WeakPolarHBondContact O-CB 3.45Å; F19-S22 PolarHBondContact O-N 3.06Å; F19-S22 VanDerWaalsContact O-N 3.09Å; S22-S24 PolarHBondContact O-N 3.25Å; S22-S24 WeakPolarHBondContact OG-CB 3.13Å; S22-S24 PolarHBondContact OG-N 3.24Å; S22-S24 PolarHBondContact OG-OG 3.45Å
23K89.1Confident91.4Very high215 Ų21591.9 Ų91.994%0.93548%0.475SS*.  trans-79.57.8175-59.616978.7170.60112.8
24S87.6Confident91.5Very high46 Ų4687.5 Ų87.532%0.32246%0.456SS..  trans-71.6145.7175.559.50000111.7S22 D26 S27S22-S24 PolarHBondContact O-N 3.25Å; S22-S24 WeakPolarHBondContact OG-CB 3.13Å; S22-S24 PolarHBondContact OG-N 3.24Å; S22-S24 PolarHBondContact OG-OG 3.45Å; S24-D26 VanDerWaalsContact C-N 3.27Å; S24-D26 PolarHBondContact O-N 2.82Å; S24-S27 WeakPolarHBondContact O-CB 3.36Å; S24-S27 PolarHBondContact O-N 3.41Å; S24-S27 PolarHBondContact O-OG 3.2Å; S24-S27 PolarHBondContact OG-N 2.83Å
25K89Confident91.6Very high201 Ų20188.5 Ų88.587%0.87446%0.461SS*.THydrogen-bonded Turntrans-67.9-31.8179.4-170174.9178-176.70112S27K25-S27 VanDerWaalsContact C-N 3.31Å; K25-S27 PolarHBondContact O-N 2.97Å
26D90.4Very high91.6Very high98 Ų9889.1 Ų89.152%0.52447%0.469SS..THydrogen-bonded Turntrans-78.7-9.9-178.8-48.1-103.7000113.5S24 A28 E29 K30S24-D26 VanDerWaalsContact C-N 3.27Å; S24-D26 PolarHBondContact O-N 2.82Å; D26-A28 VanDerWaalsContact C-N 3.27Å; D26-A28 PolarHBondContact O-N 2.85Å; D26-E29 WeakPolarHBondContact O-CA 3.19Å; D26-E29 WeakPolarHBondContact O-CB 3.4Å; D26-E29 PolarHBondContact O-N 3.35Å; D26-K30 PolarHBondContact O-N 2.93Å
27S92.1Very high91.5Very high22 Ų2292 Ų9215%0.15448%0.479CS..Hα-helixtrans-48.7-46.3179.253.20000112.9F19 S24 K25 E29 K30 L31F19-S27 WeakPolarHBondContact O-CB 3.33Å; S24-S27 WeakPolarHBondContact O-CB 3.36Å; S24-S27 PolarHBondContact O-N 3.41Å; S24-S27 PolarHBondContact O-OG 3.2Å; S24-S27 PolarHBondContact OG-N 2.83Å; K25-S27 VanDerWaalsContact C-N 3.31Å; K25-S27 PolarHBondContact O-N 2.97Å; S27-E29 VanDerWaalsContact C-N 3.27Å; S27-E29 PolarHBondContact O-N 3.4Å; S27-K30 PolarHBondContact O-N 3.36Å; S27-L31 WeakPolarHBondContact O-CB 3.36Å; S27-L31 VanDerWaalsContact O-CG 3.28Å; S27-L31 WeakPolarHBondContact O-CG 3.4Å; S27-L31 PolarHBondContact O-N 3.18Å
28A93Very high91.2Very high58 Ų5890.9 Ų90.948%0.47948%0.477SS..Hα-helixtrans-67.5-23.5178.700000113.8D26 K32D26-A28 VanDerWaalsContact C-N 3.27Å; D26-A28 PolarHBondContact O-N 2.85Å; A28-K32 WeakPolarHBondContact O-CG 3.4Å; A28-K32 PolarHBondContact O-N 3.43Å
29E93.5Very high90.9Very high137 Ų13795 Ų9564%0.6449%0.487SS*.Hα-helixtrans-84.7-40.8175-167170.3140.500111D26 S27 L31 K32 A33D26-E29 WeakPolarHBondContact O-CA 3.19Å; D26-E29 WeakPolarHBondContact O-CB 3.4Å; D26-E29 PolarHBondContact O-N 3.35Å; S27-E29 VanDerWaalsContact C-N 3.27Å; S27-E29 PolarHBondContact O-N 3.4Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 3.18Å; E29-K32 WeakPolarHBondContact O-CB 3.43Å; E29-K32 PolarHBondContact O-N 3.46Å; E29-A33 PolarHBondContact O-N 2.87Å
30K93.3Very high90.5Very high106 Ų10696.5 Ų96.546%0.46151%0.509SS..Hα-helixtrans-61.6-40.8171.3-60-55-178.1-168.20111.8F19 D26 S27 K32 A33 L34F19-K30 HydrophobicContact CD1-CB 3.87Å; F19-K30 HydrophobicContact CD1-CG 4.21Å; F19-K30 HydrophobicContact CD2-CB 3.72Å; F19-K30 HydrophobicContact CE1-CB 3.8Å; F19-K30 HydrophobicContact CE1-CG 3.76Å; F19-K30 HydrophobicContact CE2-CB 3.63Å; F19-K30 HydrophobicContact CE2-CG 4.25Å; F19-K30 HydrophobicContact CG-CB 3.85Å; F19-K30 HydrophobicContact CZ-CB 3.69Å; F19-K30 HydrophobicContact CZ-CD 4.48Å; F19-K30 HydrophobicContact CZ-CG 3.78Å; D26-K30 PolarHBondContact O-N 2.93Å; S27-K30 PolarHBondContact O-N 3.36Å; K30-K32 VanDerWaalsContact C-N 3.32Å; K30-K32 PolarHBondContact O-N 3.21Å; K30-A33 PolarHBondContact O-N 3.41Å; K30-L34 WeakPolarHBondContact O-CG 3.31Å; K30-L34 PolarHBondContact O-N 2.79Å
31L94.4Very high89.8Confident43 Ų4395.5 Ų95.523%0.22550%0.497CS..Hα-helixtrans-60.3-38.4173.4-76.9168.7000112.9A16 F19 L20 S27 E29 L35A16-L31 HydrophobicContact CB-CD2 3.99Å; A16-L31 WeakPolarHBondContact O-CD2 3.28Å; F19-L31 HydrophobicContact CB-CD2 3.99Å; F19-L31 HydrophobicContact CB-CG 3.87Å; L20-L31 HydrophobicContact CD1-CD1 4.49Å; S27-L31 WeakPolarHBondContact O-CB 3.36Å; S27-L31 VanDerWaalsContact O-CG 3.28Å; S27-L31 WeakPolarHBondContact O-CG 3.4Å; S27-L31 PolarHBondContact O-N 3.18Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 3.18Å; L31-L35 WeakPolarHBondContact O-CG 3.32Å; L31-L35 PolarHBondContact O-N 2.79Å
32K93.3Very high88.3Confident149 Ų14989.1 Ų89.165%0.64847%0.474SS*.Hα-helixtrans-65.6-47.1172.4-73.1170.6-179-179.60111.4A28 E29 K30 L34 L35 D36A28-K32 WeakPolarHBondContact O-CG 3.4Å; A28-K32 PolarHBondContact O-N 3.43Å; E29-K32 WeakPolarHBondContact O-CB 3.43Å; E29-K32 PolarHBondContact O-N 3.46Å; K30-K32 VanDerWaalsContact C-N 3.32Å; K30-K32 PolarHBondContact O-N 3.21Å; K32-L34 VanDerWaalsContact C-N 3.29Å; K32-L34 PolarHBondContact O-N 3.08Å; K32-L35 PolarHBondContact O-N 2.9Å; K32-L35 VanDerWaalsContact O-N 3.12Å; K32-D36 WeakPolarHBondContact O-CB 3.46Å; K32-D36 PolarHBondContact O-N 2.72Å
33A93.7Very high86.8Confident52 Ų5294.6 Ų94.643%0.4350%0.497SS..Hα-helixtrans-59.4-38.9179.300000112.2E29 K30 D36 E37E29-A33 PolarHBondContact O-N 2.87Å; K30-A33 PolarHBondContact O-N 3.41Å; A33-D36 PolarHBondContact O-N 2.93Å; A33-E37 WeakPolarHBondContact O-CB 3.45Å; A33-E37 PolarHBondContact O-N 3.11Å
34L92Very high85Confident7 Ų790.8 Ų90.84%0.03749%0.488CS..Hα-helixtrans-69.4-32.6175.3-65.9-175.7000113.7I12 K15 A16 F19 K30 K32 E37 S38I12-L34 HydrophobicContact CG2-CB 3.89Å; I12-L34 HydrophobicContact CG2-CD1 4.45Å; I12-L34 HydrophobicContact CG2-CD2 4.2Å; I12-L34 HydrophobicContact CG2-CG 4.38Å; K15-L34 HydrophobicContact CB-CD1 4.02Å; K15-L34 HydrophobicContact CD-CD1 4.22Å; K15-L34 HydrophobicContact CD-CD2 3.68Å; K15-L34 HydrophobicContact CG-CD1 3.91Å; K15-L34 HydrophobicContact CG-CD2 4.28Å; A16-L34 HydrophobicContact CB-CD1 3.93Å; F19-L34 HydrophobicContact CD2-CD1 3.77Å; F19-L34 HydrophobicContact CE2-CD1 4.08Å; K30-L34 WeakPolarHBondContact O-CG 3.31Å; K30-L34 PolarHBondContact O-N 2.79Å; K32-L34 VanDerWaalsContact C-N 3.29Å; K32-L34 PolarHBondContact O-N 3.08Å; L34-E37 WeakPolarHBondContact CD2-OE2 3.37Å; L34-S38 WeakPolarHBondContact O-CB 3.36Å; L34-S38 PolarHBondContact O-N 2.75Å; L34-S38 PolarHBondContact O-OG 2.79Å
35L91.7Very high83.2Confident115 Ų11592.9 Ų92.960%0.60250%0.502SS*.Hα-helixtrans-70.5-41.3172.8-73.9170.6000111.1L31 K32 S38 L39L31-L35 WeakPolarHBondContact O-CG 3.32Å; L31-L35 PolarHBondContact O-N 2.79Å; K32-L35 PolarHBondContact O-N 2.9Å; K32-L35 VanDerWaalsContact O-N 3.12Å; L35-S38 PolarHBondContact O-N 3.32Å; L35-L39 VanDerWaalsContact O-CG 3.29Å; L35-L39 WeakPolarHBondContact O-CG 3.35Å; L35-L39 PolarHBondContact O-N 3.13Å
36D91.7Very high81.3Confident115 Ų11587.5 Ų87.562%0.61549%0.49SS*.Hα-helixtrans-65.2-44.3175.7-155.358.5000111.1K32 A33 S38 L39 A40K32-D36 WeakPolarHBondContact O-CB 3.46Å; K32-D36 PolarHBondContact O-N 2.72Å; A33-D36 PolarHBondContact O-N 2.93Å; D36-S38 VanDerWaalsContact C-N 3.27Å; D36-S38 PolarHBondContact O-N 3Å; D36-L39 PolarHBondContact O-N 3Å; D36-L39 VanDerWaalsContact O-N 3.13Å; D36-A40 VanDerWaalsContact O-CB 3.3Å; D36-A40 WeakPolarHBondContact O-CB 3.35Å; D36-A40 PolarHBondContact O-N 3.39Å
37E87.9Confident79Confident83 Ų8393.4 Ų93.439%0.38851%0.506SS..Hα-helixtrans-57.4-37.3170.6-172.8-179.8173.800111.8I12 K15 A33 L34 R41I12-E37 HydrophobicContact CD1-CB 4.37Å; I12-E37 VanDerWaalsContact CD1-CD 3.46Å; I12-E37 HydrophobicContact CD1-CG 3.69Å; I12-E37 WeakPolarHBondContact CD1-OE1 3.29Å; K15-E37 IonicContact NZ-OE2 3.89Å; A33-E37 WeakPolarHBondContact O-CB 3.45Å; A33-E37 PolarHBondContact O-N 3.11Å; L34-E37 WeakPolarHBondContact CD2-OE2 3.37Å; E37-R41 WeakPolarHBondContact O-CB 3.3Å; E37-R41 WeakPolarHBondContact O-CG 3.4Å; E37-R41 PolarHBondContact O-N 3.22Å
38S86.4Confident76.7Confident44 Ų44101 Ų10131%0.30853%0.532SS..Hα-helixtrans-75.8-28.7176.3-59.20000113.9L34 L35 D36 R41L34-S38 WeakPolarHBondContact O-CB 3.36Å; L34-S38 PolarHBondContact O-N 2.75Å; L34-S38 PolarHBondContact O-OG 2.79Å; L35-S38 PolarHBondContact O-N 3.32Å; D36-S38 VanDerWaalsContact C-N 3.27Å; D36-S38 PolarHBondContact O-N 3Å; S38-R41 CarbonylContact O-C 3.52Å
39L86Confident74.2Confident135 Ų135102.9 Ų102.971%0.70754%0.539SS*.Hα-helixtrans-81-30.1174.5-70.1168.2000111.8L35 D36 G42L35-L39 VanDerWaalsContact O-CG 3.29Å; L35-L39 WeakPolarHBondContact O-CG 3.35Å; L35-L39 PolarHBondContact O-N 3.13Å; D36-L39 PolarHBondContact O-N 3Å; D36-L39 VanDerWaalsContact O-N 3.13Å; L39-G42 VanDerWaalsContact O-CA 3.31Å; L39-G42 WeakPolarHBondContact O-CA 3.49Å; L39-G42 PolarHBondContact O-N 2.91Å; L39-G42 VanDerWaalsContact O-N 3.15Å
40A84.6Confident71.8Confident84 Ų84100.9 Ų100.969%0.69454%0.54SS*.Hα-helixtrans-73.5-35172.400000112.4D36 G42D36-A40 VanDerWaalsContact O-CB 3.3Å; D36-A40 WeakPolarHBondContact O-CB 3.35Å; D36-A40 PolarHBondContact O-N 3.39Å; A40-G42 PolarHBondContact O-N 3.19Å
41R74.8Confident69.4Low93 Ų93104.5 Ų104.535%0.35156%0.559SS.*THydrogen-bonded Turntrans-78.828.8161.6-61.5-173.4-51145.511.3112.4D10 E37 S38 I43D10-R41 IonicContact OD1-NH1 2.65Å; D10-R41 IonicContact OD1-NH2 3.72Å; D10-R41 IonicContact OD2-CZ 3.99Å; D10-R41 IonicContact OD2-NH1 3.66Å; D10-R41 IonicContact OD2-NH2 2.75Å; D10-R41 PolarHBondContact OD2-NH2 3.4Å; E37-R41 WeakPolarHBondContact O-CB 3.3Å; E37-R41 WeakPolarHBondContact O-CG 3.4Å; E37-R41 PolarHBondContact O-N 3.22Å; S38-R41 CarbonylContact O-C 3.52Å; R41-I43 PolarHBondContact O-N 3.03Å
42G59.5Low66.9Low22 Ų22110.9 Ų110.923%0.22759%0.585CS.*THydrogen-bonded Turntrans-66.8132-167.100000112.7L39 A40 D44L39-G42 VanDerWaalsContact O-CA 3.31Å; L39-G42 WeakPolarHBondContact O-CA 3.49Å; L39-G42 PolarHBondContact O-N 2.91Å; L39-G42 VanDerWaalsContact O-N 3.15Å; A40-G42 PolarHBondContact O-N 3.19Å; G42-D44 PolarHBondContact O-N 2.88Å
43I59.9Low64.4Low161 Ų161110.2 Ų110.283%0.82659%0.588SS**THydrogen-bonded Turntrans59.7-26.9169.864.7167.7000119.2R41 S46R41-I43 PolarHBondContact O-N 3.03Å; I43-S46 PolarHBondContact O-OG 3.12Å
44D51.1Low62.2Low136 Ų136114.7 Ų114.773%0.72761%0.61SS**THydrogen-bonded Turntrans-74.4-29.4179.945.2-124.1000114G42 S46G42-D44 PolarHBondContact O-N 2.88Å; D44-S46 PolarHBondContact O-N 2.89Å
45S50Low59.8Low89 Ų89122.7 Ų122.762%0.62265%0.647SS**SBendtrans-77.451.7166.3-155.30000112.6Y47S45-Y47 PolarHBondContact O-N 3.06Å
46S49Very low57.1Low89 Ų89122.8 Ų122.862%0.62265%0.654SS**  trans-70.595.6175.6-820000110.8I43 D44 R48I43-S46 PolarHBondContact O-OG 3.12Å; D44-S46 PolarHBondContact O-N 2.89Å; S46-R48 PolarHBondContact O-N 3.46Å
47Y42Very low55Low221 Ų221123.3 Ų123.387%0.86766%0.664SS**  trans-69.569.2167-162.6-91.6000110.5S45 P49S45-Y47 PolarHBondContact O-N 3.06Å; Y47-P49 WeakPolarHBondContact O-CD 3.29Å
48R44.2Very low52.6Low182 Ų182128.7 Ų128.769%0.68769%0.686SS**  trans-103.3112175.9-153.5-67-173.1-161.4-0.4105.6S46 S50S46-R48 PolarHBondContact O-N 3.46Å; R48-S50 PolarHBondContact O-N 3.38Å
49P40.1Very low50.8Low97 Ų97134.3 Ų134.363%0.6371%0.711SS**  trans-61.289.6167.2-2536.1000109Y47 Q51Y47-P49 WeakPolarHBondContact O-CD 3.29Å; P49-Q51 VanDerWaalsContact C-N 3.32Å; P49-Q51 PolarHBondContact O-N 2.98Å
50S43.5Very low48.9Very low96 Ų96132.9 Ų132.967%0.67171%0.712SS**  trans-92.474.3-176.6-165.70000108.2R48 K52R48-S50 PolarHBondContact O-N 3.38Å; S50-K52 PolarHBondContact O-N 3.14Å
51Q40.8Very low46.9Very low182 Ų182134.1 Ų134.185%0.8572%0.716SS**  trans-67.878.6177.3-177.3-152.1-91.400110.4P49P49-Q51 VanDerWaalsContact C-N 3.32Å; P49-Q51 PolarHBondContact O-N 2.98Å
52K42.6Very low45.5Very low177 Ų177134.8 Ų134.877%0.7773%0.731SS**  trans-173.7149.6154.8-108.9-173.9170.4-155.20115.1S50S50-K52 PolarHBondContact O-N 3.14Å
53D41.3Very low45Very low134 Ų134142.5 Ų142.572%0.71776%0.758SS**  trans49.789.4153-66.9-87.1000120.2
54V46.6Very low44.2Very low146 Ų146142 Ų14289%0.88576%0.757SS**  trans-136.5126.9137.1177.20000110
55E41.4Very low44Very low175 Ų175142.7 Ų142.782%0.81876%0.759SS**  trans4.2135.3163.2-154.9177.5131.400122.3
56P36.7Very low43.7Very low117 Ų117143.5 Ų143.576%0.7676%0.764SS**PPolyproline II helixtrans-100.4130.6179.236.5-31.8000115.9
57P45.9Very low43.7Very low126 Ų126146.1 Ų146.182%0.81877%0.77SS**PPolyproline II helixtrans-81.8134.3159.9-1229.3000112.4
58K38.3Very low43.8Very low197 Ų197143.4 Ų143.486%0.85776%0.763SS**PPolyproline II helixtrans-46.4134.6173.7-50.7141.6-176.2172.40112.9
59I48.9Very low43.8Very low162 Ų162141.6 Ų141.683%0.83176%0.762SS**  -171.6141.1100.740.9171.9000114.2
60S45.1Very low43.8Very low104 Ų104145.2 Ų145.273%0.72777%0.77SS**  trans49.5123.6146.9-59.70000123.6
61S43Very low44.1Very low110 Ų110145 Ų14577%0.76977%0.767SS**  80.6138.4127.5-71.60000121.3
62T45.3Very low44.2Very low108 Ų108144.9 Ų144.966%0.66376%0.763SS**  cis-161.8156.7-24.2-34.70000109
63K48.5Very low44.4Very low183 Ų183144 Ų14480%0.79677%0.765SS**  trans75.1138.9166.8-50.6171-169.7176.80114.8
64N43.1Very low44.6Very low152 Ų152142.9 Ų142.981%0.81377%0.768SS**  cis143.2111.1-15.5-90.311000106.2
65I47.8Very low44.5Very low150 Ų150141.5 Ų141.577%0.76977%0.765SS**  trans162108.5137.6-147.475.5000105.4
66S43.1Very low44.6Very low105 Ų105138.1 Ų138.173%0.73476%0.761SS**  cis81.915243.9-161.60000113.6
67I48.5Very low45Very low144 Ų144140.3 Ų140.374%0.73877%0.765SS**  trans80123.6-179.3-56.5163.7000112.8
68K44Very low45Very low165 Ų165139.9 Ų139.972%0.71776%0.763SS**  cis-159.7156.22.5-133.6-176.8177.2-143.90113
69Q44.8Very low45Very low144 Ų144136.4 Ų136.467%0.67376%0.763SS**  trans42.2118.2149.7-75.2171.2-54.700120
70E40.6Very low44.6Very low172 Ų172132.6 Ų132.680%0.80476%0.764SS**  cis82.3157.132.6-133.2-128123.600112.5
71P49.4Very low44.3Very low91 Ų91134.5 Ų134.559%0.59177%0.766SS**  -141.6-133.2-99.146.2-25.6000113.1
72K42.9Very low44.3Very low180 Ų180135.5 Ų135.578%0.78376%0.763SS**  trans95.8149.8174.6-55.5158.2-173.8174.60112.9
73I46.5Very low43.9Very low158 Ų158138.2 Ų138.281%0.8177%0.773SS**  cis-140.2164.916.4-13.9180000112.2
74S45.9Very low43.6Very low111 Ų111132.6 Ų132.678%0.77677%0.767SS**  trans-31.5163.3171.7-38.60000118.3
75S45.5Very low43.4Very low117 Ų117134.3 Ų134.382%0.81877%0.767SS**  cis-162.7-173.915.8-141.70000109.2
76S43.2Very low43.1Very low104 Ų104132.6 Ų132.673%0.72776%0.763SS**  cis-156.4-170.92.761.30000111.4
77L43.9Very low43.3Very low163 Ų163134.4 Ų134.485%0.85376%0.764SS**  trans-142.2177.9172.4-86166.8000107.8
78P46Very low43Very low118 Ų118133 Ų13377%0.76676%0.762SS**  cis-145.7-162.222.346.2-25000117.2
79S38.2Very low43.2Very low124 Ų124131.1 Ų131.187%0.86777%0.765SS**  trans-51.4155.3179.2-41.60000118.4
80G40.2Very low43.5Very low82 Ų82130.8 Ų130.885%0.84576%0.763SS**  trans-151.7152.7164.900000111.2
81N39.1Very low43.9Very low143 Ų143130.4 Ų130.477%0.76576%0.759SS**  trans-129.2161.1-165.3-157.618.8000113.4
82N43Very low43.9Very low132 Ų132132.3 Ų132.371%0.70677%0.768SS**  trans67.9113163.3-66.1-39.5000121.9
83N37.1Very low44.6Very low165 Ų165131.8 Ų131.888%0.88277%0.766SS**  61.1118.8117.9-161.413.7000122.6
84G41.7Very low44.8Very low64 Ų64131.1 Ų131.166%0.6676%0.757SS**  trans178110.9159.600000110.9
85K39Very low44.6Very low189 Ų189132.3 Ų132.382%0.82275%0.751SS**  68.711779.7-158.3-164.9178-174.10111.9
86V42.9Very low44.4Very low113 Ų113131.1 Ų131.169%0.68575%0.748SS**  -168.4121.383.4156.80000107.9
87L47.2Very low44.2Very low143 Ų143133.2 Ų133.275%0.74975%0.746SS**  68129.8104.5-136.968.1000114.1
88T41.9Very low44.1Very low115 Ų115131.8 Ų131.871%0.70673%0.733SS**  -157.213658.135.70000116.5
89T47.1Very low43.9Very low125 Ų125136.4 Ų136.477%0.76774%0.735SS**  trans35.3151.3138.153.20000123.5
90E52.4Low44.4Very low137 Ų137136 Ų13664%0.6473%0.73SS**  cis-158.6155.624.3-141.1-152.848.200115.1
91K48.4Very low44.3Very low165 Ų165136.8 Ų136.872%0.71773%0.728SS**  trans39.8144.6158.5-71.9-177.4-159.5117.90121.2
92V50.2Low44Very low130 Ų130136 Ų13679%0.78872%0.724SS**  cis-168.7159.2-16.378.20000105
93K57.2Low44.1Very low169 Ų169138.1 Ų138.174%0.73573%0.727SS**  cis-155.4167.538.9-143.7-172.6168-172.50106.5
94K50.4Low44.9Very low144 Ų144137.5 Ų137.563%0.62672%0.721SS**  cis66124.933.7167.5178.6167.998.20112.7
95E42.6Very low45.1Very low137 Ų137141.7 Ų141.764%0.6472%0.72SS**  cis-148139.728.3-142.5145.5-171.900108.5
96A41.4Very low45.4Very low92 Ų92137.6 Ų137.676%0.7672%0.716SS**  69.8146.953.100000114.6
97E39Very low45.3Very low148 Ų148137.8 Ų137.869%0.69271%0.713SS**  cis-167.9146.9-22.9-160.2-152.859.100111.4
98K40.9Very low45.5Very low132 Ų132138.5 Ų138.557%0.57472%0.716SS**  trans65.4134.3153.5-90.4-174-155.91110124.3
99R41.9Very low45.7Very low216 Ų216138.5 Ų138.582%0.81572%0.716SS**  trans72.5172.1146.2-63171.2178.8153.1-5.6118.2
100P47.8Very low45.7Very low115 Ų115141 Ų14175%0.74772%0.719SS**  -137.8-175.2-63.142.8-26.7000113.5
101A38.1Very low45.4Very low99 Ų99137.5 Ų137.582%0.81872%0.719SS**  trans64.3166.2160.700000117
102D34.1Very low45.2Very low126 Ų126136.7 Ų136.767%0.67473%0.728SS**  cis-164155.6-33.7-177-126.3000107.6
103K45.4Very low44.7Very low176 Ų176136.8 Ų136.877%0.76572%0.724SS**  trans68.8161.2177.9-35.7-171.1-176-176.20114.3
104M52.5Low44.2Very low153 Ų153135.6 Ų135.675%0.75472%0.724SS**  cis-150.4144.612.3-177.264.7170.100111.4
105K45.7Very low43.8Very low151 Ų151133.7 Ų133.766%0.65773%0.726SS**  trans5.9145.3145.5-124.2176.9179.7-172.80118.6D107K105-D107 WeakPolarHBondContact CE-OD2 3.41Å
106S46.1Very low43.6Very low103 Ų103136.8 Ų136.872%0.7274%0.738SS**  cis-168.7178.639.7-38.40000109
107D41.4Very low43.4Very low117 Ų117142 Ų14263%0.62674%0.743SS**  cis-168.7-168.5-36-82.9-17.7000105.6K105K105-D107 WeakPolarHBondContact CE-OD2 3.41Å
108I50.5Low43.7Very low159 Ų159140.8 Ų140.882%0.81575%0.748SS**  trans76.5109.7178-57.4179.7000115.4
109T46.5Very low43.3Very low114 Ų114145.2 Ų145.270%0.69976%0.761SS**  cis103.5133.338.9-72.90000110.6
110E46.9Very low43.5Very low179 Ų179141.4 Ų141.484%0.83676%0.756SS**  cis-144.5174.69.1-146.4136.866.300109.1
111G46.3Very low43Very low62 Ų62142.6 Ų142.664%0.63975%0.752SS**  cis150.2171-8.400000112.9
112V44.9Very low43.3Very low149 Ų149145.3 Ų145.390%0.90375%0.745SS**  trans66152.7175.6-179.70000117.4
113D38.3Very low43.8Very low132 Ų132144.8 Ų144.871%0.70675%0.749SS**  -173.9162-68.5-177.1-138.8000109.5
114I47.9Very low43.7Very low144 Ų144143.8 Ų143.874%0.73875%0.747SS**  trans-58.9137.4-177.5-64.4155.4000111.9
115P41.1Very low43.4Very low103 Ų103142.2 Ų142.267%0.66975%0.746SS**  -164.4167.388.243.2-21.5000122
116K38.1Very low43.4Very low203 Ų203144 Ų14488%0.88376%0.756SS**  trans78.4155.9141.9-85.6167.4-178.1171.60122
117K38.5Very low43.2Very low202 Ų202143.9 Ų143.988%0.87876%0.755SS**  trans-92.4142-174.8-49164.9-1781750112
118P44.8Very low43.3Very low121 Ų121144.3 Ų144.379%0.78677%0.767SS**  trans-120.2135139.233.3-22.6000109.1
119R32Very low42.9Very low225 Ų225142.6 Ų142.685%0.84977%0.767SS**  cis48.291.423.5-163.9-178-174.8-179.22.2114.3
120L47.1Very low43.3Very low136 Ų136144.8 Ų144.871%0.71277%0.773SS**  177.6168.9102.3-156.461.6000110.6
121E37.2Very low43.6Very low140 Ų140141.5 Ų141.565%0.65477%0.765SS**  trans-71.9166.1-160.1-54.6173.766.100119.8
122K43.6Very low43.6Very low157 Ų157144.6 Ų144.668%0.68377%0.771SS**  trans47.1147.7134.9-79.1171.3-178.4161.60121.4
123P45Very low43.7Very low115 Ų115146.3 Ų146.375%0.74777%0.769SS**  -100.216663.5-9.931000113.3
124E44.1Very low44.2Very low155 Ų155145 Ų14572%0.72477%0.766SS**  cis69.4137.244.6-57.5-17596.100113.7
125T44.7Very low44.3Very low120 Ų120143.6 Ų143.674%0.73677%0.769SS**  cis-160.9136.6-0.310.90000110.4
126Q45.4Very low44.9Very low188 Ų188147.6 Ų147.688%0.87978%0.776SS**  trans166.9113.7146.4-96.9-18011.100107.5
127S43.3Very low45Very low100 Ų100144.6 Ų144.670%0.69977%0.77SS**  cis84.68938.583.10000115.3
128S43Very low45.4Very low126 Ų126143.8 Ų143.888%0.88177%0.774SS**  trans-174.3105.7145.1-84.10000112.2
129P42.6Very low45.6Very low123 Ų123141.6 Ų141.680%0.79977%0.766SS**  trans-120.3114.5170.734.3-20000112.1
130I54.4Low46.3Very low161 Ų161139.5 Ų139.583%0.82677%0.768SS**  trans-151134167.7-140.8164.7000115.6
131T52.9Low46.4Very low109 Ų109138.1 Ų138.167%0.66978%0.776SS**  trans15.1119.9159.459.20000122.2
132V45.9Very low46.4Very low127 Ų127136.3 Ų136.377%0.7777%0.771SS**  33102.9120.5-170.20000117.8T134V132-T134 HydrophobicContact CG1-CG2 4.18Å
133Q47.6Very low46.7Very low185 Ų185136.3 Ų136.386%0.86478%0.778SS**  trans-121.3104.8142.1-67.3-178.85.800106.4
134T48.1Very low46.8Very low105 Ų105134.2 Ų134.264%0.64477%0.766SS**  45.694.88466.10000114.7V132V132-T134 HydrophobicContact CG1-CG2 4.18Å
135S51.7Low47.2Very low115 Ų115132.5 Ų132.580%0.80477%0.771SS**  trans48.3108.214160.50000119.5
136K53Low47.4Very low186 Ų186135.4 Ų135.481%0.80977%0.774SS**SBend-171.7124.698-174.961.2173.9177.20110.8
137D40.4Very low47.9Very low140 Ų140134.1 Ų134.175%0.74977%0.768SS**  trans56.264.5158.7-136.240.4000118.4
138L46Very low48.6Very low185 Ų185137.8 Ų137.897%0.96977%0.774SS**  trans-116.182.6158.2-72.3177.1000109.2
139A49.3Very low49.5Very low75 Ų75137.2 Ų137.262%0.6277%0.765SS**  trans-131.3119.3179.600000111.2
140M46.5Very low50.9Low182 Ų182134.1 Ų134.190%0.89775%0.746SS**  trans5577.6164.4-58.8-174-70.900115.8D142M140-D142 PolarHBondContact O-N 3.08Å
141A49.1Very low52Low107 Ų107130 Ų13088%0.88474%0.737SS**  trans-69.973.5156.800000110.4
142D38.6Very low53.3Low101 Ų101126.3 Ų126.354%0.5471%0.713SS.*  trans29.3105.4163-167.128.9000119.4M140 S144M140-D142 PolarHBondContact O-N 3.08Å; D142-S144 WeakPolarHBondContact OD1-CA 3.28Å; D142-S144 WeakPolarHBondContact OD1-CB 3.44Å; D142-S144 PolarHBondContact OD1-N 3.04Å; D142-S144 PolarHBondContact OD1-OG 3.44Å
143L48.1Very low55.2Low157 Ų157124.6 Ų124.682%0.82270%0.699SS**  trans-91.6-1.2165.9-65.1-179.7000113.2S145 F146L143-S145 PolarHBondContact O-N 3.13Å; L143-F146 PolarHBondContact O-N 3.34Å
144S48.7Very low56.9Low71 Ų71122 Ų12250%0.49769%0.685SS.*G310 helixtrans-68.5-15.1-179.1-57.80000113.8D142 F146 E147D142-S144 WeakPolarHBondContact OD1-CA 3.28Å; D142-S144 WeakPolarHBondContact OD1-CB 3.44Å; D142-S144 PolarHBondContact OD1-N 3.04Å; D142-S144 PolarHBondContact OD1-OG 3.44Å; S144-F146 PolarHBondContact O-N 3.23Å; S144-E147 PolarHBondContact O-N 3.1Å
145S51.3Low58.7Low119 Ų119117.3 Ų117.383%0.83266%0.657SS**G310 helixtrans-61-4.2169.4-174.60000114.5L143L143-S145 PolarHBondContact O-N 3.13Å
146F49.8Very low60.2Low181 Ų181114.4 Ų114.479%0.79463%0.632SS**G310 helixtrans-101.2-13.6171.7152.1-106.9000113.2L143 S144L143-F146 PolarHBondContact O-N 3.34Å; S144-F146 PolarHBondContact O-N 3.23Å
147E56Low61.7Low161 Ų161113.6 Ų113.675%0.75263%0.631SS**SBendtrans-102.820.5-168.8-147.8-176.2138.600115.1S144S144-E147 PolarHBondContact O-N 3.1Å
148E56.8Low63.8Low177 Ų177110.3 Ų110.383%0.82761%0.612SS**  trans-129.130.3179.1-139.5-177.7129.800115.7S150E148-S150 PolarHBondContact O-N 3.41Å
149T62.7Low65.7Low115 Ų115102.8 Ų102.871%0.70658%0.579SS**  trans-73.582.4152-570000108.1
150S71.9Confident67.5Low57 Ų57101.6 Ų101.640%0.39956%0.562SS.*  trans-52.2142.9179.4174.80000111.4E148 D152 D153 F154E148-S150 PolarHBondContact O-N 3.41Å; S150-D152 PolarHBondContact O-N 2.82Å; S150-D152 PolarHBondContact OG-N 3.47Å; S150-D153 PolarHBondContact O-N 2.77Å; S150-F154 PolarHBondContact O-N 2.85Å
151A77.8Confident69.6Low76 Ų7693.2 Ų93.263%0.62852%0.521SS*.Hα-helixtrans-55.2-25.7177.300000112.8A155A151-A155 VanDerWaalsContact O-CB 3.28Å; A151-A155 WeakPolarHBondContact O-CB 3.46Å; A151-A155 PolarHBondContact O-N 2.76Å
152D81Confident71.7Confident30 Ų3088.1 Ų88.116%0.1648%0.479CS..Hα-helixtrans-75.1-26.8176.6-63.4-70.8000113.6S150 A155 M156 Q167 M168S150-D152 PolarHBondContact O-N 2.82Å; S150-D152 PolarHBondContact OG-N 3.47Å; D152-A155 PolarHBondContact O-N 2.91Å; D152-M156 WeakPolarHBondContact O-CG 3.39Å; D152-M156 PolarHBondContact O-N 3.21Å; D152-Q167 VanDerWaalsContact OD1-CA 3.29Å; D152-Q167 WeakPolarHBondContact OD1-CA 3.41Å; D152-Q167 VanDerWaalsContact OD1-CD 3.29Å; D152-Q167 WeakPolarHBondContact OD1-CG 3.27Å; D152-Q167 PolarHBondContact OD1-NE2 2.85Å; D152-Q167 PolarHBondContact OD2-NE2 2.91Å; D152-M168 PolarHBondContact OD1-N 3.47Å
153D83.8Confident74.3Confident92 Ų9286.7 Ų86.749%0.49247%0.474SS..Hα-helixtrans-73.4-44.1172.9-165.268.1000111S150 A155 M156 E157S150-D153 PolarHBondContact O-N 2.77Å; D153-A155 VanDerWaalsContact C-N 3.29Å; D153-A155 PolarHBondContact O-N 3.15Å; D153-M156 HydrophobicContact CB-CE 4.28Å; D153-M156 WeakPolarHBondContact O-CB 3.47Å; D153-M156 PolarHBondContact O-N 2.97Å; D153-M156 VanDerWaalsContact OD1-CE 3.28Å; D153-M156 WeakPolarHBondContact OD1-CE 3.47Å; D153-E157 PolarHBondContact O-N 2.72Å
154F85Confident76.4Confident130 Ų13083 Ų8357%0.5746%0.458SS*.Hα-helixtrans-58.1-41.4168.5178.9-101.4000111.9S150 M156 E157 M158S150-F154 PolarHBondContact O-N 2.85Å; F154-M156 VanDerWaalsContact C-N 3.32Å; F154-M156 PolarHBondContact O-N 3.45Å; F154-E157 PolarHBondContact O-N 2.91Å; F154-M158 HydrophobicContact CD1-CG 4.22Å; F154-M158 HydrophobicContact CD2-CG 4.32Å; F154-M158 HydrophobicContact CE1-CG 3.78Å; F154-M158 HydrophobicContact CE2-CG 3.89Å; F154-M158 HydrophobicContact CE2-SD 4.27Å; F154-M158 HydrophobicContact CG-CG 4.48Å; F154-M158 HydrophobicContact CZ-CG 3.6Å; F154-M158 HydrophobicContact CZ-SD 4.08Å; F154-M158 WeakPolarHBondContact O-CB 3.31Å; F154-M158 VanDerWaalsContact O-CG 3.29Å; F154-M158 WeakPolarHBondContact O-CG 3.28Å; F154-M158 PolarHBondContact O-N 3.46Å
155A84.7Confident78.5Confident6 Ų682.4 Ų82.45%0.0545%0.453CS..Hα-helixtrans-67.1-29.3175.200000113A151 D152 D153 G159 L160 A161 M168A151-A155 VanDerWaalsContact O-CB 3.28Å; A151-A155 WeakPolarHBondContact O-CB 3.46Å; A151-A155 PolarHBondContact O-N 2.76Å; D152-A155 PolarHBondContact O-N 2.91Å; D153-A155 VanDerWaalsContact C-N 3.29Å; D153-A155 PolarHBondContact O-N 3.15Å; A155-G159 PolarHBondContact O-N 3.23Å; A155-L160 HydrophobicContact CB-CB 4.41Å; A155-L160 CarbonylContact O-C 3.58Å; A155-L160 WeakPolarHBondContact O-CA 3.5Å; A155-L160 PolarHBondContact O-N 2.99Å; A155-A161 HydrophobicContact CB-CB 3.9Å; A155-A161 PolarHBondContact O-N 2.91Å; A155-M168 HydrophobicContact CB-CB 3.86Å
156M83.2Confident80.3Confident55 Ų5584.2 Ų84.227%0.27144%0.441SS..Hα-helixtrans-69.4-47.4170.7-79.6-171.4-66.800112.4D152 D153 F154 M158 G159 A161 R166D152-M156 WeakPolarHBondContact O-CG 3.39Å; D152-M156 PolarHBondContact O-N 3.21Å; D153-M156 HydrophobicContact CB-CE 4.28Å; D153-M156 WeakPolarHBondContact O-CB 3.47Å; D153-M156 PolarHBondContact O-N 2.97Å; D153-M156 VanDerWaalsContact OD1-CE 3.28Å; D153-M156 WeakPolarHBondContact OD1-CE 3.47Å; F154-M156 VanDerWaalsContact C-N 3.32Å; F154-M156 PolarHBondContact O-N 3.45Å; M156-M158 VanDerWaalsContact C-N 3.31Å; M156-M158 PolarHBondContact O-N 2.75Å; M156-G159 WeakPolarHBondContact O-CA 3.29Å; M156-G159 PolarHBondContact O-N 3.32Å; M156-A161 HydrophobicContact CG-CB 3.85Å; M156-R166 HydrophobicContact CE-CB 4.21Å; M156-R166 HydrophobicContact CE-CG 4.37Å; M156-R166 HydrophobicContact CG-CB 4.34Å; M156-R166 HydrophobicContact SD-CB 3.62Å; M156-R166 VanDerWaalsContact SD-CD 3.53Å; M156-R166 HydrophobicContact SD-CG 3.46Å; M156-R166 WeakPolarHBondContact SD-CG 3.45Å; M156-R166 PolarHBondContact SD-NH1 3.24Å
157E84.7Confident82.2Confident168 Ų16878.8 Ų78.879%0.78542%0.419SS*.Hα-helixtrans-62.8-38.7179.3-176.861-16100111.5D153 F154 G159D153-E157 PolarHBondContact O-N 2.72Å; F154-E157 PolarHBondContact O-N 2.91Å; E157-G159 PolarHBondContact O-N 2.94Å
158M85.2Confident83.7Confident72 Ų7274.8 Ų74.836%0.35540%0.401SS..THydrogen-bonded Turntrans-71.7-5.9172.7-66.8-62.9-68.900113.9F154 M156 L160F154-M158 HydrophobicContact CD1-CG 4.22Å; F154-M158 HydrophobicContact CD2-CG 4.32Å; F154-M158 HydrophobicContact CE1-CG 3.78Å; F154-M158 HydrophobicContact CE2-CG 3.89Å; F154-M158 HydrophobicContact CE2-SD 4.27Å; F154-M158 HydrophobicContact CG-CG 4.48Å; F154-M158 HydrophobicContact CZ-CG 3.6Å; F154-M158 HydrophobicContact CZ-SD 4.08Å; F154-M158 WeakPolarHBondContact O-CB 3.31Å; F154-M158 VanDerWaalsContact O-CG 3.29Å; F154-M158 WeakPolarHBondContact O-CG 3.28Å; F154-M158 PolarHBondContact O-N 3.46Å; M156-M158 VanDerWaalsContact C-N 3.31Å; M156-M158 PolarHBondContact O-N 2.75Å; M158-L160 VanDerWaalsContact C-N 3.28Å; M158-L160 HydrophobicContact CB-CB 4.42Å; M158-L160 HydrophobicContact CB-CD1 3.8Å; M158-L160 HydrophobicContact CB-CG 3.93Å; M158-L160 PolarHBondContact O-N 3.39Å
159G84.6Confident85.1Confident27 Ų2772.6 Ų72.628%0.27839%0.392SS..THydrogen-bonded Turntrans67.826.2-177.700000113.9A155 M156 E157 L185 R447A155-G159 PolarHBondContact O-N 3.23Å; M156-G159 WeakPolarHBondContact O-CA 3.29Å; M156-G159 PolarHBondContact O-N 3.32Å; E157-G159 PolarHBondContact O-N 2.94Å; G159-L185 VanDerWaalsContact O-CD1 3.26Å; G159-L185 WeakPolarHBondContact O-CD1 3.25Å; G159-R447 PolarHBondContact O-NH1 2.72Å
160L87.8Confident86.1Confident50 Ų5071.3 Ų71.326%0.26238%0.384SS..  trans-103.7-19.6-174.2-70.5177.6000113.8A155 M158 M168 L176 L185A155-L160 HydrophobicContact CB-CB 4.41Å; A155-L160 CarbonylContact O-C 3.58Å; A155-L160 WeakPolarHBondContact O-CA 3.5Å; A155-L160 PolarHBondContact O-N 2.99Å; M158-L160 VanDerWaalsContact C-N 3.28Å; M158-L160 HydrophobicContact CB-CB 4.42Å; M158-L160 HydrophobicContact CB-CD1 3.8Å; M158-L160 HydrophobicContact CB-CG 3.93Å; M158-L160 PolarHBondContact O-N 3.39Å; L160-M168 HydrophobicContact CB-CE 3.6Å; L160-M168 HydrophobicContact CG-CE 4.49Å; L160-M168 WeakPolarHBondContact O-CE 3.43Å; L160-L176 VanDerWaalsContact O-CD2 3.25Å; L160-L176 WeakPolarHBondContact O-CD2 3.28Å; L160-L185 VanDerWaalsContact C-CD1 3.47Å; L160-L185 VanDerWaalsContact O-CD1 3.22Å; L160-L185 WeakPolarHBondContact O-CD1 3.39Å
161A91.4Very high86.6Confident5 Ų571.3 Ų71.34%0.04139%0.387CS..SBendtrans-84158.8175.300000113.5A155 M156 R166A155-A161 HydrophobicContact CB-CB 3.9Å; A155-A161 PolarHBondContact O-N 2.91Å; M156-A161 HydrophobicContact CG-CB 3.85Å; A161-R166 VanDerWaalsContact CB-O 3.28Å; A161-R166 WeakPolarHBondContact CB-O 3.17Å
162C93.2Very high86.6Confident0 Ų074.2 Ų74.20%040%0.403CS..BIsolated β-bridgetrans-71.7129.4172.3173.20000112V164 R166 Q167 L176 L185 H187C162-V164 PolarHBondContact O-N 2.97Å; C162-V164 PolarHBondContact SG-N 2.87Å; C162-V164 VanDerWaalsContact SG-N 3.45Å; C162-R166 WeakPolarHBondContact O-CA 3.39Å; C162-R166 PolarHBondContact O-N 2.93Å; C162-Q167 PolarHBondContact N-O 3.48Å; C162-L176 HydrophobicContact CB-CD2 4.32Å; C162-L176 HydrophobicContact CB-CG 4.42Å; C162-L185 WeakPolarHBondContact CA-O 3.29Å; C162-H187 HydrophobicContact CB-CB 4.48Å; C162-H187 WeakPolarHBondContact CB-ND1 3.39Å; C162-H187 PolarHBondContact SG-N 2.74Å
163V91.8Very high86.5Confident72 Ų7275 Ų7544%0.43642%0.419SS..THydrogen-bonded Turntrans-71.35.9-177.2-54.60000115.6N184 L185 Y186V163-N184 HydrophobicContact CG1-CB 3.8Å; V163-N184 HydrophobicContact CG2-CB 4.07Å; V163-L185 PolarHBondContact N-O 3.16Å; V163-Y186 HydrophobicContact CG2-CD1 4.05Å; V163-Y186 HydrophobicContact CG2-CE1 3.42Å; V163-Y186 VanDerWaalsContact CG2-CE1 3.42Å; V163-Y186 HydrophobicContact CG2-CE2 4.16Å; V163-Y186 VanDerWaalsContact CG2-CZ 3.48Å
164V92.4Very high86.6Confident80 Ų8072.2 Ų72.249%0.48540%0.403SS..THydrogen-bonded Turntrans-109.1-53.2-180-176.70000111.5C162 Y186 C190C162-V164 PolarHBondContact O-N 2.97Å; C162-V164 PolarHBondContact SG-N 2.87Å; C162-V164 VanDerWaalsContact SG-N 3.45Å; V164-Y186 HydrophobicContact CG2-CD1 3.78Å; V164-Y186 HydrophobicContact CG2-CE1 3.95Å; V164-C190 HydrophobicContact CB-CB 3.78Å; V164-C190 HydrophobicContact CG1-CB 3.87Å; V164-C190 HydrophobicContact CG2-CB 4.16Å
165C92.7Very high86.7Confident57 Ų5769.1 Ų69.139%0.38539%0.391SS..THydrogen-bonded Turntrans-96.9-9178.863.40000113.6Q167 H187C165-Q167 PolarHBondContact O-N 3.43Å; C165-Q167 PolarHBondContact SG-N 3.03Å; C165-H187 VanDerWaalsContact SG-CE1 3.53Å; C165-H187 PolarHBondContact SG-ND1 2.96Å
166R90.7Very high87Confident157 Ų15770.1 Ų70.159%0.59240%0.395SS*.  trans66.61.8-174.3-56.9-178.6171.6-116.36.4115.9M156 A161 C162M156-R166 HydrophobicContact CE-CB 4.21Å; M156-R166 HydrophobicContact CE-CG 4.37Å; M156-R166 HydrophobicContact CG-CB 4.34Å; M156-R166 HydrophobicContact SD-CB 3.62Å; M156-R166 VanDerWaalsContact SD-CD 3.53Å; M156-R166 HydrophobicContact SD-CG 3.46Å; M156-R166 WeakPolarHBondContact SD-CG 3.45Å; M156-R166 PolarHBondContact SD-NH1 3.24Å; A161-R166 VanDerWaalsContact CB-O 3.28Å; A161-R166 WeakPolarHBondContact CB-O 3.17Å; C162-R166 WeakPolarHBondContact O-CA 3.39Å; C162-R166 PolarHBondContact O-N 2.93Å
167Q88Confident87.4Confident68 Ų6868 Ų6832%0.31839%0.385SS..  trans-84.4145-179.9-151.980.837.700113D152 C162 C165 M169D152-Q167 VanDerWaalsContact OD1-CA 3.29Å; D152-Q167 WeakPolarHBondContact OD1-CA 3.41Å; D152-Q167 VanDerWaalsContact OD1-CD 3.29Å; D152-Q167 WeakPolarHBondContact OD1-CG 3.27Å; D152-Q167 PolarHBondContact OD1-NE2 2.85Å; D152-Q167 PolarHBondContact OD2-NE2 2.91Å; C162-Q167 PolarHBondContact N-O 3.48Å; C165-Q167 PolarHBondContact O-N 3.43Å; C165-Q167 PolarHBondContact SG-N 3.03Å; Q167-M169 HydrophobicContact CG-CB 4.02Å; Q167-M169 HydrophobicContact CG-CE 4.47Å; Q167-M169 HydrophobicContact CG-CG 4.06Å
168M87.6Confident87.7Confident76 Ų7661.9 Ų61.937%0.37436%0.357SS..  trans-77.3-37.3164.1148.357.764.100112.9D152 A155 L160 V170 L176D152-M168 PolarHBondContact OD1-N 3.47Å; A155-M168 HydrophobicContact CB-CB 3.86Å; L160-M168 HydrophobicContact CB-CE 3.6Å; L160-M168 HydrophobicContact CG-CE 4.49Å; L160-M168 WeakPolarHBondContact O-CE 3.43Å; M168-V170 PolarHBondContact O-N 2.95Å; M168-L176 WeakPolarHBondContact O-CD1 3.25Å
169M85.9Confident88.1Confident131 Ų13158.4 Ų58.465%0.64534%0.34SS*.  trans-53.3122.4-162.2-64.5-154.6-67.700115.2Q167 H187Q167-M169 HydrophobicContact CG-CB 4.02Å; Q167-M169 HydrophobicContact CG-CE 4.47Å; Q167-M169 HydrophobicContact CG-CG 4.06Å; M169-H187 PolarHBondContact O-NE2 3.44Å
170V85.1Confident88.5Confident89 Ų8961.9 Ų61.954%0.53935%0.349SS..  trans-86.6128.1168.9169.60000109.5M168 Q175 L176M168-V170 PolarHBondContact O-N 2.95Å; V170-Q175 HydrophobicContact CG1-CG 4.33Å; V170-L176 HydrophobicContact CG2-CD1 3.6Å
171A81.4Confident88.7Confident56 Ų5664.4 Ų64.446%0.46336%0.359SS..  trans-105.6160.6166.900000110.6G173 N174A171-G173 PolarHBondContact O-N 3.42Å; A171-G173 VanDerWaalsContact O-N 3.07Å; A171-N174 HydrophobicContact CB-CB 4.29Å; A171-N174 PolarHBondContact N-O 3.19Å; A171-N174 VanDerWaalsContact N-O 3.14Å; A171-N174 CarbonylContact O-C 3.37Å; A171-N174 PolarHBondContact O-N 2.84Å
172S78.9Confident88.8Confident138 Ų13866.3 Ų66.397%0.96537%0.371SS*.SBendtrans-61-19.5-174.549.60000115.5
173G79.2Confident88.7Confident47 Ų4768.2 Ų68.249%0.48538%0.38SS..SBendtrans-100.4-26.1166.600000114.5A171 R188A171-G173 PolarHBondContact O-N 3.42Å; A171-G173 VanDerWaalsContact O-N 3.07Å; G173-R188 WeakPolarHBondContact O-CD 3.26Å; G173-R188 PolarHBondContact O-NH1 3.48Å; G173-R188 VanDerWaalsContact O-NH1 3.15Å
174N84.8Confident88.7Confident32 Ų3267.9 Ų67.917%0.17138%0.376CS..  trans-118.480-165.6-168.420.4000111.5A171 H187 R188 D189A171-N174 HydrophobicContact CB-CB 4.29Å; A171-N174 PolarHBondContact N-O 3.19Å; A171-N174 VanDerWaalsContact N-O 3.14Å; A171-N174 CarbonylContact O-C 3.37Å; A171-N174 PolarHBondContact O-N 2.84Å; N174-H187 VanDerWaalsContact CG-CD2 3.49Å; N174-H187 PolarHBondContact ND2-CD2 3.4Å; N174-H187 VanDerWaalsContact ND2-CD2 3.27Å; N174-H187 VanDerWaalsContact OD1-CB 3.25Å; N174-H187 WeakPolarHBondContact OD1-CB 3.25Å; N174-H187 PolarHBondContact OD1-CD2 3.29Å; N174-R188 PolarHBondContact OD1-N 2.94Å; N174-D189 VanDerWaalsContact CB-OD2 3.29Å; N174-D189 WeakPolarHBondContact CB-OD2 3.27Å; N174-D189 PolarHBondContact OD1-N 3.49Å; N174-D189 VanDerWaalsContact OD1-N 3.13Å; N174-D189 PolarHBondContact OD1-OD2 2.87Å
175Q87.5Confident88.7Confident65 Ų6565.1 Ų65.130%0.30436%0.358SS..  trans-82.8155.7176.8-159178.223.900111.3V170 H187 R188V170-Q175 HydrophobicContact CG1-CG 4.33Å; Q175-H187 WeakPolarHBondContact O-CA 3.09Å; Q175-R188 PolarHBondContact O-N 2.96Å
176L90.6Very high88.7Confident27 Ų2763.6 Ų63.614%0.14135%0.345CS..EExtended strand (participates in β ladder)trans-83.3131.8168.8-77.473.5000109.6L160 C162 M168 V170 L185 H187L160-L176 VanDerWaalsContact O-CD2 3.25Å; L160-L176 WeakPolarHBondContact O-CD2 3.28Å; C162-L176 HydrophobicContact CB-CD2 4.32Å; C162-L176 HydrophobicContact CB-CG 4.42Å; M168-L176 WeakPolarHBondContact O-CD1 3.25Å; V170-L176 HydrophobicContact CG2-CD1 3.6Å; L176-L185 HydrophobicContact CB-CB 4.38Å; L176-L185 HydrophobicContact CB-CD2 4.23Å; L176-L185 HydrophobicContact CD2-CB 4.01Å; L176-L185 HydrophobicContact CD2-CD1 4.13Å; L176-H187 VanDerWaalsContact CD1-NE2 3.25Å; L176-H187 WeakPolarHBondContact CD1-NE2 3.35Å
177V91.3Very high88.8Confident11 Ų1156.4 Ų56.47%0.06732%0.318CS..EExtended strand (participates in β ladder)trans-116.4129.7-179.9-167.70000109.1L185 Y186 R188 V195 A200 W207V177-L185 WeakPolarHBondContact O-CA 3.34Å; V177-Y186 PolarHBondContact N-O 3.46Å; V177-Y186 PolarHBondContact O-N 3.45Å; V177-R188 HydrophobicContact CG2-CG 3.88Å; V177-V195 HydrophobicContact CG1-CG1 4.39Å; V177-V195 HydrophobicContact CG2-CB 4.29Å; V177-V195 HydrophobicContact CG2-CG1 4.12Å; V177-A200 HydrophobicContact CG2-CB 3.71Å; V177-W207 HydrophobicContact CB-CE3 4.28Å; V177-W207 HydrophobicContact CB-CZ3 4.33Å; V177-W207 HydrophobicContact CG1-CB 4.34Å; V177-W207 HydrophobicContact CG1-CD2 3.66Å; V177-W207 HydrophobicContact CG1-CE3 3.6Å; V177-W207 HydrophobicContact CG1-CG 3.97Å; V177-W207 HydrophobicContact CG1-CZ3 4.15Å
178E92.3Very high88.9Confident39 Ų3953.9 Ų53.918%0.18231%0.306CS..EExtended strand (participates in β ladder)trans-91.1126.2-178.9-176.9175164.500112.3Q180 H183 L185 N443 R447E178-Q180 PolarHBondContact O-N 3.01Å; E178-H183 IonicContact OE1-CE1 3.18Å; E178-H183 IonicContact OE1-CG 2.76Å; E178-H183 IonicContact OE1-ND1 2.72Å; E178-H183 PolarHBondContact OE1-ND1 3.05Å; E178-L185 HydrophobicContact CB-CD2 3.78Å; E178-L185 HydrophobicContact CG-CD2 4.45Å; E178-N443 PolarHBondContact OE1-ND2 2.99Å; E178-N443 PolarHBondContact OE2-ND2 3.01Å; E178-R447 IonicContact OE1-CZ 3.63Å; E178-R447 IonicContact OE1-NE 3.85Å; E178-R447 IonicContact OE1-NH2 2.85Å; E178-R447 PolarHBondContact OE1-NH2 2.76Å; E178-R447 IonicContact OE2-NH2 3.96Å; E178-R447 PolarHBondContact OE2-NH2 2.97Å
179C93.6Very high89.1Confident0 Ų053.7 Ų53.70%031%0.306CS..  trans-76.2118.4170.8174.60000111.5E181 C182 H183 N184 Y186 W207 C209 C212C179-E181 VanDerWaalsContact C-N 3.27Å; C179-E181 PolarHBondContact O-N 2.82Å; C179-E181 VanDerWaalsContact O-N 3.15Å; C179-C182 PolarHBondContact O-N 2.8Å; C179-C182 PolarHBondContact SG-SG 2.79Å; C179-H183 VanDerWaalsContact O-CA 3.22Å; C179-H183 WeakPolarHBondContact O-CA 3.19Å; C179-H183 PolarHBondContact O-N 3.25Å; C179-N184 PolarHBondContact N-O 3.28Å; C179-Y186 HydrophobicContact CB-CE2 4.32Å; C179-W207 HydrophobicContact CB-CE3 4.07Å; C179-W207 HydrophobicContact CB-CZ3 3.78Å; C179-C209 HydrophobicContact CB-CB 3.86Å; C179-C209 PolarHBondContact SG-N 3.32Å; C179-C209 VanDerWaalsContact SG-SG 3.61Å; C179-C212 VanDerWaalsContact SG-SG 3.68Å
180Q92.9Very high89.4Confident99 Ų9949.3 Ų49.346%0.46329%0.288SS..THydrogen-bonded Turntrans-65.8-18.9-175.2-73.7-73.2-6.100115.6E178 H183 V206 W207 Y208E178-Q180 PolarHBondContact O-N 3.01Å; Q180-H183 PolarHBondContact O-CE1 2.9Å; Q180-V206 HydrophobicContact CB-CG1 3.82Å; Q180-V206 HydrophobicContact CG-CG1 3.9Å; Q180-W207 PolarHBondContact N-O 2.74Å; Q180-Y208 HydrophobicContact CB-CE1 4.39Å
181E91.3Very high89.6Confident103 Ų10345.7 Ų45.748%0.48127%0.265SS..THydrogen-bonded Turntrans-86.1-48.5174.8172.467.6-145.400113.3C179 Y208 C212C179-E181 VanDerWaalsContact C-N 3.27Å; C179-E181 PolarHBondContact O-N 2.82Å; C179-E181 VanDerWaalsContact O-N 3.15Å; E181-Y208 HydrophobicContact CB-CD1 3.81Å; E181-Y208 HydrophobicContact CB-CE1 3.97Å; E181-C212 HydrophobicContact CB-CB 3.84Å; E181-C212 HydrophobicContact CG-CB 3.87Å; E181-C212 VanDerWaalsContact CG-SG 3.54Å
182C93.2Very high89.9Confident45 Ų4550.4 Ų50.430%0.30428%0.275SS..THydrogen-bonded Turntrans-102.9-3.3-174.968.20000114.8C179 N184 C209 C212C179-C182 PolarHBondContact O-N 2.8Å; C179-C182 PolarHBondContact SG-SG 2.79Å; C182-N184 PolarHBondContact O-N 3.48Å; C182-C209 VanDerWaalsContact SG-SG 3.68Å; C182-C212 VanDerWaalsContact SG-SG 3.7Å
183H91Very high90Very high40 Ų4049 Ų4919%0.18526%0.263CS..  trans5416.6-178.2-62.9-66.3000115.6E178 C179 Q180 R447E178-H183 IonicContact OE1-CE1 3.18Å; E178-H183 IonicContact OE1-CG 2.76Å; E178-H183 IonicContact OE1-ND1 2.72Å; E178-H183 PolarHBondContact OE1-ND1 3.05Å; C179-H183 VanDerWaalsContact O-CA 3.22Å; C179-H183 WeakPolarHBondContact O-CA 3.19Å; C179-H183 PolarHBondContact O-N 3.25Å; Q180-H183 PolarHBondContact O-CE1 2.9Å; H183-R447 HydrophobicContact CB-CG 4.47Å; H183-R447 PolarHBondContact O-NH1 3.42Å; H183-R447 PolarHBondContact O-NH2 3.27Å
184N92.2Very high90.3Very high66 Ų6652.4 Ų52.435%0.35327%0.266SS..  trans-82.1141.1173.6-69.9-33.7000110.8V163 C179 C182 Y186V163-N184 HydrophobicContact CG1-CB 3.8Å; V163-N184 HydrophobicContact CG2-CB 4.07Å; C179-N184 PolarHBondContact N-O 3.28Å; C182-N184 PolarHBondContact O-N 3.48Å; N184-Y186 HydrophobicContact CB-CE2 3.75Å; N184-Y186 WeakPolarHBondContact O-CD2 3.22Å
185L92.4Very high90.4Very high21 Ų2151.2 Ų51.211%0.1126%0.26CS..EExtended strand (participates in β ladder)trans-90.2140.5176.4-67.4161.5000111.7G159 L160 C162 V163 L176 V177 E178G159-L185 VanDerWaalsContact O-CD1 3.26Å; G159-L185 WeakPolarHBondContact O-CD1 3.25Å; L160-L185 VanDerWaalsContact C-CD1 3.47Å; L160-L185 VanDerWaalsContact O-CD1 3.22Å; L160-L185 WeakPolarHBondContact O-CD1 3.39Å; C162-L185 WeakPolarHBondContact CA-O 3.29Å; V163-L185 PolarHBondContact N-O 3.16Å; L176-L185 HydrophobicContact CB-CB 4.38Å; L176-L185 HydrophobicContact CB-CD2 4.23Å; L176-L185 HydrophobicContact CD2-CB 4.01Å; L176-L185 HydrophobicContact CD2-CD1 4.13Å; V177-L185 WeakPolarHBondContact O-CA 3.34Å; E178-L185 HydrophobicContact CB-CD2 3.78Å; E178-L185 HydrophobicContact CG-CD2 4.45Å
186Y93.5Very high90.3Very high25 Ų2552 Ų5210%0.09827%0.269CS..EExtended strand (participates in β ladder)trans-132.4122.5177.9-65.4-91000110.4V163 V164 V177 C179 N184 R188 W207 C209V163-Y186 HydrophobicContact CG2-CD1 4.05Å; V163-Y186 HydrophobicContact CG2-CE1 3.42Å; V163-Y186 VanDerWaalsContact CG2-CE1 3.42Å; V163-Y186 HydrophobicContact CG2-CE2 4.16Å; V163-Y186 VanDerWaalsContact CG2-CZ 3.48Å; V164-Y186 HydrophobicContact CG2-CD1 3.78Å; V164-Y186 HydrophobicContact CG2-CE1 3.95Å; V177-Y186 PolarHBondContact N-O 3.46Å; V177-Y186 PolarHBondContact O-N 3.45Å; C179-Y186 HydrophobicContact CB-CE2 4.32Å; N184-Y186 HydrophobicContact CB-CE2 3.75Å; N184-Y186 WeakPolarHBondContact O-CD2 3.22Å; Y186-R188 PolarHBondContact O-N 3.37Å; Y186-W207 AromaticContact CD2-CH2 3.75Å; Y186-W207 HydrophobicContact CD2-CH2 3.75Å; Y186-W207 AromaticContact CD2-CZ3 3.78Å; Y186-W207 HydrophobicContact CD2-CZ3 3.78Å; Y186-W207 HydrophobicContact CG-CH2 4.04Å; Y186-W207 HydrophobicContact CG-CZ3 4.45Å; Y186-C209 HydrophobicContact CD2-CB 3.92Å; Y186-C209 HydrophobicContact CE2-CB 3.41Å; Y186-C209 VanDerWaalsContact CE2-CB 3.41Å
187H92.6Very high89.9Confident7 Ų754.7 Ų54.73%0.03228%0.284CS..EExtended strand (participates in β ladder)trans-52.3135.9159.2-82.3110.5000110.3C162 C165 M169 N174 Q175 L176 D189 C190 H191C162-H187 HydrophobicContact CB-CB 4.48Å; C162-H187 WeakPolarHBondContact CB-ND1 3.39Å; C162-H187 PolarHBondContact SG-N 2.74Å; C165-H187 VanDerWaalsContact SG-CE1 3.53Å; C165-H187 PolarHBondContact SG-ND1 2.96Å; M169-H187 PolarHBondContact O-NE2 3.44Å; N174-H187 VanDerWaalsContact CG-CD2 3.49Å; N174-H187 PolarHBondContact ND2-CD2 3.4Å; N174-H187 VanDerWaalsContact ND2-CD2 3.27Å; N174-H187 VanDerWaalsContact OD1-CB 3.25Å; N174-H187 WeakPolarHBondContact OD1-CB 3.25Å; N174-H187 PolarHBondContact OD1-CD2 3.29Å; Q175-H187 WeakPolarHBondContact O-CA 3.09Å; L176-H187 VanDerWaalsContact CD1-NE2 3.25Å; L176-H187 WeakPolarHBondContact CD1-NE2 3.35Å; H187-D189 PolarHBondContact O-N 3.03Å; H187-D189 VanDerWaalsContact O-N 3.17Å; H187-C190 HydrophobicContact CB-CB 3.8Å; H187-C190 PolarHBondContact O-N 3.05Å; H187-H191 PolarHBondContact O-N 3.01Å
188R90.2Very high89.5Confident14 Ų1462.6 Ų62.65%0.05332%0.317CS..THydrogen-bonded Turntrans-49-41.5176.4-66.6179.8-172.5177.8-9.4112.2G173 N174 Q175 V177 Y186 Q194 V195 D197 N201G173-R188 WeakPolarHBondContact O-CD 3.26Å; G173-R188 PolarHBondContact O-NH1 3.48Å; G173-R188 VanDerWaalsContact O-NH1 3.15Å; N174-R188 PolarHBondContact OD1-N 2.94Å; Q175-R188 PolarHBondContact O-N 2.96Å; V177-R188 HydrophobicContact CG2-CG 3.88Å; Y186-R188 PolarHBondContact O-N 3.37Å; R188-Q194 VanDerWaalsContact O-CA 3.32Å; R188-Q194 WeakPolarHBondContact O-CA 3.46Å; R188-V195 HydrophobicContact CB-CB 4.39Å; R188-V195 HydrophobicContact CG-CB 4.19Å; R188-V195 PolarHBondContact O-N 3.02Å; R188-D197 IonicContact CZ-OD1 2.74Å; R188-D197 IonicContact NH1-OD1 3.57Å; R188-D197 PolarHBondContact NH1-OD1 2.95Å; R188-D197 IonicContact NH2-OD1 3.93Å; R188-D197 PolarHBondContact NH2-OD1 3.3Å; R188-N201 PolarHBondContact NH2-ND2 3.46Å
189D90.8Very high89.2Confident73 Ų7363.9 Ų63.939%0.3932%0.323SS..THydrogen-bonded Turntrans-79.1-29.2-179.1-69.1-49.7000114.6N174 H187 Q194N174-D189 VanDerWaalsContact CB-OD2 3.29Å; N174-D189 WeakPolarHBondContact CB-OD2 3.27Å; N174-D189 PolarHBondContact OD1-N 3.49Å; N174-D189 VanDerWaalsContact OD1-N 3.13Å; N174-D189 PolarHBondContact OD1-OD2 2.87Å; H187-D189 PolarHBondContact O-N 3.03Å; H187-D189 VanDerWaalsContact O-N 3.17Å; D189-Q194 PolarHBondContact OD1-NE2 3.06Å
190C92.4Very high88.6Confident39 Ų3965.1 Ų65.126%0.26433%0.334SS..THydrogen-bonded Turntrans-78.1-22.1176.6-62.80000112.6V164 H187V164-C190 HydrophobicContact CB-CB 3.78Å; V164-C190 HydrophobicContact CG1-CB 3.87Å; V164-C190 HydrophobicContact CG2-CB 4.16Å; H187-C190 HydrophobicContact CB-CB 3.8Å; H187-C190 PolarHBondContact O-N 3.05Å
191H89.8Confident88.1Confident13 Ų1364.5 Ų64.56%0.0633%0.333CS..SBendtrans-77.4150.2172.3-163.9-96.7000111.8H187 P193 Q194 V195 W207 A210H187-H191 PolarHBondContact O-N 3.01Å; H191-P193 CarbonylContact C-O 3.39Å; H191-P193 PolarHBondContact ND1-O 3.06Å; H191-P193 CarbonylContact O-C 3.55Å; H191-Q194 PolarHBondContact O-N 3.29Å; H191-V195 HydrophobicContact CB-CG2 4.03Å; H191-W207 AromaticContact CD2-CH2 3.64Å; H191-W207 AromaticContact CD2-CZ2 3.72Å; H191-W207 AromaticContact CE1-CZ2 3.65Å; H191-W207 AromaticContact CG-CZ2 3.77Å; H191-W207 AromaticContact ND1-CZ2 3.73Å; H191-W207 AromaticContact NE2-CH2 3.86Å; H191-W207 AromaticContact NE2-CZ2 3.67Å; H191-A210 PolarHBondContact NE2-N 2.87Å
192K86.7Confident87.8Confident155 Ų15562.9 Ų62.967%0.67433%0.328SS*.SBendtrans-135.5116.6176.6-64.1-164.4-174.3-54.20110.4
193P82.7Confident87.4Confident108 Ų10867.1 Ų67.170%0.70136%0.355SS*.SBendcis-60.8154.8-1.729.1-36.8000112.7H191H191-P193 CarbonylContact C-O 3.39Å; H191-P193 PolarHBondContact ND1-O 3.06Å; H191-P193 CarbonylContact O-C 3.55Å
194Q84.5Confident87.2Confident119 Ų11975.8 Ų75.856%0.55639%0.386SS*.PPolyproline II helixtrans-59.5137.7175.7-73.4168.1-75.400109.6R188 D189 H191 T196R188-Q194 VanDerWaalsContact O-CA 3.32Å; R188-Q194 WeakPolarHBondContact O-CA 3.46Å; D189-Q194 PolarHBondContact OD1-NE2 3.06Å; H191-Q194 PolarHBondContact O-N 3.29Å; Q194-T196 PolarHBondContact O-N 3.34Å
195V87.9Confident87Confident7 Ų776.6 Ų76.64%0.04239%0.39CS..PPolyproline II helixtrans-79.5123.4178.8-1740000108.6V177 R188 H191 E199 A200 W207V177-V195 HydrophobicContact CG1-CG1 4.39Å; V177-V195 HydrophobicContact CG2-CB 4.29Å; V177-V195 HydrophobicContact CG2-CG1 4.12Å; R188-V195 HydrophobicContact CB-CB 4.39Å; R188-V195 HydrophobicContact CG-CB 4.19Å; R188-V195 PolarHBondContact O-N 3.02Å; H191-V195 HydrophobicContact CB-CG2 4.03Å; V195-E199 HydrophobicContact CG1-CB 4.04Å; V195-E199 HydrophobicContact CG1-CG 3.84Å; V195-A200 HydrophobicContact CG1-CB 4.31Å; V195-W207 HydrophobicContact CG2-CH2 4.28Å; V195-W207 HydrophobicContact CG2-CZ2 3.36Å
196T85.1Confident86.9Confident81 Ų8179.4 Ų79.450%0.49741%0.408SS..PPolyproline II helixtrans-72.9152.8-178.470.20000111.1Q194 K198 E199 A200Q194-T196 PolarHBondContact O-N 3.34Å; T196-K198 PolarHBondContact O-N 3.5Å; T196-E199 PolarHBondContact O-N 3.44Å; T196-A200 PolarHBondContact O-N 2.9Å
197D82.2Confident86.9Confident83 Ų8379 Ų7944%0.44441%0.406SS..Hα-helixtrans-54.3-42.5-178.7-177.185.7000112.8R188 E199 A200 N201R188-D197 IonicContact CZ-OD1 2.74Å; R188-D197 IonicContact NH1-OD1 3.57Å; R188-D197 PolarHBondContact NH1-OD1 2.95Å; R188-D197 IonicContact NH2-OD1 3.93Å; R188-D197 PolarHBondContact NH2-OD1 3.3Å; D197-E199 PolarHBondContact O-N 3.18Å; D197-A200 PolarHBondContact O-N 3.47Å; D197-N201 WeakPolarHBondContact O-CB 3.49Å; D197-N201 PolarHBondContact O-N 2.99Å; D197-N201 PolarHBondContact O-ND2 3.07Å; D197-N201 PolarHBondContact OD1-ND2 2.79Å; D197-N201 PolarHBondContact OD2-ND2 2.92Å
198K82.3Confident86.9Confident177 Ų17782.5 Ų82.577%0.7742%0.42SS*.Hα-helixtrans-59.9-32.3177.7-57.5-177.8-178.7-176.30113.1T196 D202T196-K198 PolarHBondContact O-N 3.5Å; K198-D202 WeakPolarHBondContact O-CB 3.45Å; K198-D202 PolarHBondContact O-N 3.34Å
199E85.2Confident87.1Confident66 Ų6681.9 Ų81.931%0.30842%0.417SS..Hα-helixtrans-83.5-28.2-178.6175.6170.4-145.100112.6V195 T196 D197 L205 W207V195-E199 HydrophobicContact CG1-CB 4.04Å; V195-E199 HydrophobicContact CG1-CG 3.84Å; T196-E199 PolarHBondContact O-N 3.44Å; D197-E199 PolarHBondContact O-N 3.18Å; E199-L205 HydrophobicContact CB-CD2 4.1Å; E199-L205 HydrophobicContact CG-CD2 3.76Å; E199-L205 HydrophobicContact CG-CG 4.49Å; E199-W207 VanDerWaalsContact OE1-CD1 3.3Å
200A82.4Confident87.2Confident27 Ų2779.7 Ų79.722%0.22341%0.409CS..Hα-helixtrans-83-26.9174.700000113.4V177 V195 T196 D197V177-A200 HydrophobicContact CG2-CB 3.71Å; V195-A200 HydrophobicContact CG1-CB 4.31Å; T196-A200 PolarHBondContact O-N 2.9Å; D197-A200 PolarHBondContact O-N 3.47Å
201N81.7Confident87.2Confident85 Ų8587.5 Ų87.546%0.45543%0.433SS..Hα-helixtrans-96-8.2-177.3-77.1-37.9000114.8R188 D197 P203R188-N201 PolarHBondContact NH2-ND2 3.46Å; D197-N201 WeakPolarHBondContact O-CB 3.49Å; D197-N201 PolarHBondContact O-N 2.99Å; D197-N201 PolarHBondContact O-ND2 3.07Å; D197-N201 PolarHBondContact OD1-ND2 2.79Å; D197-N201 PolarHBondContact OD2-ND2 2.92Å; N201-P203 VanDerWaalsContact O-CD 3.27Å; N201-P203 WeakPolarHBondContact O-CD 3.45Å
202D86.1Confident87.4Confident70 Ų7087.2 Ų87.237%0.37443%0.433SS..  trans-84.8108.7176-178.10.9000111.3K198 R204 L205K198-D202 WeakPolarHBondContact O-CB 3.45Å; K198-D202 PolarHBondContact O-N 3.34Å; D202-R204 PolarHBondContact O-N 3.03Å; D202-R204 VanDerWaalsContact O-N 3.08Å; D202-R204 VanDerWaalsContact OD1-CB 3.29Å; D202-R204 WeakPolarHBondContact OD1-CB 3.42Å; D202-R204 PolarHBondContact OD1-N 2.71Å; D202-L205 HydrophobicContact CB-CB 3.98Å; D202-L205 PolarHBondContact O-N 2.92Å; D202-L205 VanDerWaalsContact O-N 3.14Å
203P84.1Confident87.7Confident133 Ų13383.1 Ų83.186%0.86442%0.421SS*.THydrogen-bonded Turntrans-68.5-7.8-179.931.6-37.5000113.6N201N201-P203 VanDerWaalsContact O-CD 3.27Å; N201-P203 WeakPolarHBondContact O-CD 3.45Å
204R86.3Confident88.2Confident222 Ų22286.5 Ų86.584%0.83842%0.419SS*.THydrogen-bonded Turntrans-94-12.8177.1-51.5-172.668.2149.61.9112.7D202D202-R204 PolarHBondContact O-N 3.03Å; D202-R204 VanDerWaalsContact O-N 3.08Å; D202-R204 VanDerWaalsContact OD1-CB 3.29Å; D202-R204 WeakPolarHBondContact OD1-CB 3.42Å; D202-R204 PolarHBondContact OD1-N 2.71Å
205L88.7Confident88.6Confident84 Ų8485.5 Ų85.544%0.4442%0.415SS..  trans-92.1110.9-174.4-174.447.3000111.5E199 D202 W207E199-L205 HydrophobicContact CB-CD2 4.1Å; E199-L205 HydrophobicContact CG-CD2 3.76Å; E199-L205 HydrophobicContact CG-CG 4.49Å; D202-L205 HydrophobicContact CB-CB 3.98Å; D202-L205 PolarHBondContact O-N 2.92Å; D202-L205 VanDerWaalsContact O-N 3.14Å; L205-W207 PolarHBondContact O-N 3.07Å
206V90.6Very high88.6Confident79 Ų7988.3 Ų88.348%0.47943%0.428SS..  trans-75.891.8178.9-172.90000109.6Q180 Y208Q180-V206 HydrophobicContact CB-CG1 3.82Å; Q180-V206 HydrophobicContact CG-CG1 3.9Å; V206-Y208 HydrophobicContact CB-CE2 4.21Å; V206-Y208 HydrophobicContact CG1-CD2 4.47Å; V206-Y208 HydrophobicContact CG1-CE1 4.38Å; V206-Y208 HydrophobicContact CG1-CE2 3.61Å; V206-Y208 WeakPolarHBondContact CG1-OH 3.21Å; V206-Y208 WeakPolarHBondContact O-CD2 3.43Å; V206-Y208 VanDerWaalsContact O-CE2 3.3Å; V206-Y208 WeakPolarHBondContact O-CE2 3.32Å
207W92.6Very high88.9Confident16 Ų1691.6 Ų91.66%0.06144%0.436CS..  trans-77.1141.8-178.2-171.377.5000113.7V177 C179 Q180 Y186 H191 V195 E199 L205 C209V177-W207 HydrophobicContact CB-CE3 4.28Å; V177-W207 HydrophobicContact CB-CZ3 4.33Å; V177-W207 HydrophobicContact CG1-CB 4.34Å; V177-W207 HydrophobicContact CG1-CD2 3.66Å; V177-W207 HydrophobicContact CG1-CE3 3.6Å; V177-W207 HydrophobicContact CG1-CG 3.97Å; V177-W207 HydrophobicContact CG1-CZ3 4.15Å; C179-W207 HydrophobicContact CB-CE3 4.07Å; C179-W207 HydrophobicContact CB-CZ3 3.78Å; Q180-W207 PolarHBondContact N-O 2.74Å; Y186-W207 AromaticContact CD2-CH2 3.75Å; Y186-W207 HydrophobicContact CD2-CH2 3.75Å; Y186-W207 AromaticContact CD2-CZ3 3.78Å; Y186-W207 HydrophobicContact CD2-CZ3 3.78Å; Y186-W207 HydrophobicContact CG-CH2 4.04Å; Y186-W207 HydrophobicContact CG-CZ3 4.45Å; H191-W207 AromaticContact CD2-CH2 3.64Å; H191-W207 AromaticContact CD2-CZ2 3.72Å; H191-W207 AromaticContact CE1-CZ2 3.65Å; H191-W207 AromaticContact CG-CZ2 3.77Å; H191-W207 AromaticContact ND1-CZ2 3.73Å; H191-W207 AromaticContact NE2-CH2 3.86Å; H191-W207 AromaticContact NE2-CZ2 3.67Å; V195-W207 HydrophobicContact CG2-CH2 4.28Å; V195-W207 HydrophobicContact CG2-CZ2 3.36Å; E199-W207 VanDerWaalsContact OE1-CD1 3.3Å; L205-W207 PolarHBondContact O-N 3.07Å; W207-C209 HydrophobicContact CH2-CB 3.67Å; W207-C209 HydrophobicContact CZ2-CB 4.42Å; W207-C209 HydrophobicContact CZ3-CB 3.95Å
208Y93.3Very high89.2Confident82 Ų8297.1 Ų97.132%0.32245%0.45SS..  trans-133.5127.2178.4-62.2-84.5000111.4Q180 E181 V206 T213 M216Q180-Y208 HydrophobicContact CB-CE1 4.39Å; E181-Y208 HydrophobicContact CB-CD1 3.81Å; E181-Y208 HydrophobicContact CB-CE1 3.97Å; V206-Y208 HydrophobicContact CB-CE2 4.21Å; V206-Y208 HydrophobicContact CG1-CD2 4.47Å; V206-Y208 HydrophobicContact CG1-CE1 4.38Å; V206-Y208 HydrophobicContact CG1-CE2 3.61Å; V206-Y208 WeakPolarHBondContact CG1-OH 3.21Å; V206-Y208 WeakPolarHBondContact O-CD2 3.43Å; V206-Y208 VanDerWaalsContact O-CE2 3.3Å; V206-Y208 WeakPolarHBondContact O-CE2 3.32Å; Y208-T213 VanDerWaalsContact CB-OG1 3.29Å; Y208-T213 WeakPolarHBondContact CB-OG1 3.49Å; Y208-T213 PolarHBondContact O-OG1 3.14Å; Y208-T213 VanDerWaalsContact O-OG1 3.08Å; Y208-M216 HydrophobicContact CD1-CE 3.43Å; Y208-M216 VanDerWaalsContact CD1-CE 3.43Å; Y208-M216 HydrophobicContact CD1-SD 4.44Å; Y208-M216 HydrophobicContact CD2-CE 3.76Å; Y208-M216 HydrophobicContact CE1-CE 3.59Å; Y208-M216 HydrophobicContact CE1-SD 4.12Å; Y208-M216 HydrophobicContact CE2-CE 3.91Å; Y208-M216 HydrophobicContact CG-CE 3.51Å
209C93.8Very high89.2Confident1 Ų194.3 Ų94.31%0.00744%0.441CS..  trans-64.7156.8175.775.80000112.2C179 C182 Y186 W207 R211 C212 T213C179-C209 HydrophobicContact CB-CB 3.86Å; C179-C209 PolarHBondContact SG-N 3.32Å; C179-C209 VanDerWaalsContact SG-SG 3.61Å; C182-C209 VanDerWaalsContact SG-SG 3.68Å; Y186-C209 HydrophobicContact CD2-CB 3.92Å; Y186-C209 HydrophobicContact CE2-CB 3.41Å; Y186-C209 VanDerWaalsContact CE2-CB 3.41Å; W207-C209 HydrophobicContact CH2-CB 3.67Å; W207-C209 HydrophobicContact CZ2-CB 4.42Å; W207-C209 HydrophobicContact CZ3-CB 3.95Å; C209-R211 PolarHBondContact O-N 3.46Å; C209-C212 PolarHBondContact O-N 3.13Å; C209-T213 PolarHBondContact O-N 3.17Å; C209-T213 PolarHBondContact O-OG1 3.06Å
210A92.8Very high88.9Confident26 Ų2694.2 Ų94.222%0.21545%0.451CS..Hα-helixtrans-57.9-17.1-176.300000114.9H191 R214H191-A210 PolarHBondContact NE2-N 2.87Å; A210-R214 WeakPolarHBondContact O-CB 3.11Å; A210-R214 WeakPolarHBondContact O-CD 3.43Å; A210-R214 WeakPolarHBondContact O-CG 3.44Å; A210-R214 PolarHBondContact O-N 3.02Å
211R92.7Very high88.3Confident204 Ų20499.9 Ų99.977%0.7747%0.473SS*.Hα-helixtrans-73.7-54.6171.1-62.3-69.2-177.7161.2-0.1110.7C209 R214 Q215C209-R211 PolarHBondContact O-N 3.46Å; R211-R214 PolarHBondContact O-N 2.76Å; R211-Q215 PolarHBondContact O-N 3.42Å
212C94.3Very high87.4Confident7 Ų7105 Ų1055%0.04749%0.491CS..Hα-helixtrans-64.6-43.3-179.5-62.60000111.8C179 E181 C182 C209 R214 Q215 M216C179-C212 VanDerWaalsContact SG-SG 3.68Å; E181-C212 HydrophobicContact CB-CB 3.84Å; E181-C212 HydrophobicContact CG-CB 3.87Å; E181-C212 VanDerWaalsContact CG-SG 3.54Å; C182-C212 VanDerWaalsContact SG-SG 3.7Å; C209-C212 PolarHBondContact O-N 3.13Å; C212-R214 VanDerWaalsContact C-N 3.3Å; C212-R214 PolarHBondContact O-N 3.47Å; C212-Q215 WeakPolarHBondContact O-CA 3.34Å; C212-Q215 WeakPolarHBondContact O-CB 3.38Å; C212-Q215 PolarHBondContact O-N 2.89Å; C212-M216 PolarHBondContact O-N 3.07Å
213T92.4Very high86.3Confident69 Ų69107.6 Ų107.642%0.42351%0.51SS..Hα-helixtrans-60.7-37.4177.5-51.50000112.3Y208 C209 K217Y208-T213 VanDerWaalsContact CB-OG1 3.29Å; Y208-T213 WeakPolarHBondContact CB-OG1 3.49Å; Y208-T213 PolarHBondContact O-OG1 3.14Å; Y208-T213 VanDerWaalsContact O-OG1 3.08Å; C209-T213 PolarHBondContact O-N 3.17Å; C209-T213 PolarHBondContact O-OG1 3.06Å; T213-K217 WeakPolarHBondContact O-CB 3.49Å; T213-K217 PolarHBondContact O-N 3.05Å; T213-K217 VanDerWaalsContact O-N 3.12Å
214R92.3Very high85Confident178 Ų178108.6 Ų108.667%0.67250%0.503SS*.Hα-helixtrans-70.3-35.3172.9-72173.5-166.1-140.93.2112.6A210 R211 C212 R218A210-R214 WeakPolarHBondContact O-CB 3.11Å; A210-R214 WeakPolarHBondContact O-CD 3.43Å; A210-R214 WeakPolarHBondContact O-CG 3.44Å; A210-R214 PolarHBondContact O-N 3.02Å; R211-R214 PolarHBondContact O-N 2.76Å; C212-R214 VanDerWaalsContact C-N 3.3Å; C212-R214 PolarHBondContact O-N 3.47Å; R214-R218 WeakPolarHBondContact O-CG 3.29Å; R214-R218 PolarHBondContact O-N 2.8Å
215Q92.7Very high83.4Confident98 Ų98106.7 Ų106.746%0.45850%0.501SS..Hα-helixtrans-68.2-49.9176.9179.9173.8-21.200111.6R211 C212 K217 R218 M219R211-Q215 PolarHBondContact O-N 3.42Å; C212-Q215 WeakPolarHBondContact O-CA 3.34Å; C212-Q215 WeakPolarHBondContact O-CB 3.38Å; C212-Q215 PolarHBondContact O-N 2.89Å; Q215-K217 PolarHBondContact O-N 3.35Å; Q215-R218 WeakPolarHBondContact O-CB 3.42Å; Q215-R218 PolarHBondContact O-N 3.33Å; Q215-M219 HydrophobicContact CG-CE 4.06Å; Q215-M219 HydrophobicContact CG-SD 4.44Å; Q215-M219 PolarHBondContact O-N 2.86Å; Q215-M219 VanDerWaalsContact O-N 3.09Å
216M88.3Confident81.6Confident66 Ų66107.6 Ų107.633%0.32551%0.512SS..Hα-helixtrans-61.8-42.6177.8-68.2-165.9-68.600112Y208 C212 R218 M219 A220Y208-M216 HydrophobicContact CD1-CE 3.43Å; Y208-M216 VanDerWaalsContact CD1-CE 3.43Å; Y208-M216 HydrophobicContact CD1-SD 4.44Å; Y208-M216 HydrophobicContact CD2-CE 3.76Å; Y208-M216 HydrophobicContact CE1-CE 3.59Å; Y208-M216 HydrophobicContact CE1-SD 4.12Å; Y208-M216 HydrophobicContact CE2-CE 3.91Å; Y208-M216 HydrophobicContact CG-CE 3.51Å; C212-M216 PolarHBondContact O-N 3.07Å; M216-R218 VanDerWaalsContact C-N 3.29Å; M216-R218 PolarHBondContact O-N 2.9Å; M216-M219 PolarHBondContact O-N 2.94Å; M216-M219 VanDerWaalsContact O-N 3.09Å; M216-A220 PolarHBondContact O-N 2.93Å
217K91.4Very high79.8Confident151 Ų151109.2 Ų109.266%0.65752%0.524SS*.Hα-helixtrans-59.7-38.5176.4-171.5168.3-177172.50112.3T213 Q215 Q221T213-K217 WeakPolarHBondContact O-CB 3.49Å; T213-K217 PolarHBondContact O-N 3.05Å; T213-K217 VanDerWaalsContact O-N 3.12Å; Q215-K217 PolarHBondContact O-N 3.35Å; K217-Q221 VanDerWaalsContact O-CB 3.29Å; K217-Q221 WeakPolarHBondContact O-CB 3.36Å; K217-Q221 PolarHBondContact O-N 3.37Å
218R88.4Confident77.9Confident199 Ų199117.3 Ų117.375%0.75156%0.563SS**Hα-helixtrans-66.7-36174.3-75.1172.8172.2-171.3-4.1113R214 Q215 M216 K222R214-R218 WeakPolarHBondContact O-CG 3.29Å; R214-R218 PolarHBondContact O-N 2.8Å; Q215-R218 WeakPolarHBondContact O-CB 3.42Å; Q215-R218 PolarHBondContact O-N 3.33Å; M216-R218 VanDerWaalsContact C-N 3.29Å; M216-R218 PolarHBondContact O-N 2.9Å; R218-K222 PolarHBondContact O-N 3.5Å
219M82.5Confident75.5Confident118 Ų118121.7 Ų121.758%0.58158%0.584SS**Hα-helixtrans-70-48.1176.6-69.7176.4171.100111.4Q215 M216 Q221 K222Q215-M219 HydrophobicContact CG-CE 4.06Å; Q215-M219 HydrophobicContact CG-SD 4.44Å; Q215-M219 PolarHBondContact O-N 2.86Å; Q215-M219 VanDerWaalsContact O-N 3.09Å; M216-M219 PolarHBondContact O-N 2.94Å; M216-M219 VanDerWaalsContact O-N 3.09Å; M219-Q221 PolarHBondContact O-N 3.47Å; M219-K222 PolarHBondContact O-N 3.25Å
220A80Confident73.2Confident63 Ų63127.3 Ų127.352%0.52162%0.62SS.*Hα-helixtrans-59.4-43.4177.300000112.5M216 K222 T223 Q224M216-A220 PolarHBondContact O-N 2.93Å; A220-K222 PolarHBondContact O-N 3.44Å; A220-T223 PolarHBondContact O-N 3.33Å; A220-T223 VanDerWaalsContact O-N 3.13Å; A220-Q224 PolarHBondContact O-N 2.85Å
221Q69.5Low70.7Confident146 Ų146130.8 Ų130.868%0.68265%0.648SS**Hα-helixtrans-67.8-19.3-179.1-166.3170.611.300113.5K217 M219K217-Q221 VanDerWaalsContact O-CB 3.29Å; K217-Q221 WeakPolarHBondContact O-CB 3.36Å; K217-Q221 PolarHBondContact O-N 3.37Å; M219-Q221 PolarHBondContact O-N 3.47Å
222K63.3Low68.3Low192 Ų192126 Ų12684%0.83564%0.644SS**Hα-helixtrans-81.1-16.1174.8-161174.7-179.5-176.10113.2R218 M219 A220R218-K222 PolarHBondContact O-N 3.5Å; M219-K222 PolarHBondContact O-N 3.25Å; A220-K222 PolarHBondContact O-N 3.44Å
223T62.4Low65.6Low125 Ų125130.3 Ų130.377%0.76768%0.68SS**Hα-helixtrans-100.3-20.2-177.8-49.80000112.9A220 K225A220-T223 PolarHBondContact O-N 3.33Å; A220-T223 VanDerWaalsContact O-N 3.13Å; T223-K225 PolarHBondContact O-N 3Å; T223-K225 VanDerWaalsContact O-N 3.1Å
224Q56.4Low63.2Low155 Ų155133.9 Ų133.972%0.72470%0.702SS**  trans-75.898.3166.1-79.9-153.4-32.600111.2A220A220-Q224 PolarHBondContact O-N 2.85Å
225K52.4Low61.3Low181 Ų181131.8 Ų131.879%0.78771%0.708SS**  trans-45.8131150.1-178.3-179.5-179.4-178.20107.8T223T223-K225 PolarHBondContact O-N 3Å; T223-K225 VanDerWaalsContact O-N 3.1Å
226P51.1Low58.7Low104 Ų104132.4 Ų132.468%0.67572%0.724SS**PPolyproline II helixtrans-57.8137.2-172.622.4-33.8000110.6Q228P226-Q228 PolarHBondContact O-N 2.96Å; P226-Q228 VanDerWaalsContact O-N 3.12Å
227P53Low56.6Low113 Ų113136.2 Ų136.273%0.73475%0.75SS**PPolyproline II helixtrans-59.1120.7175.624.9-32.8000108.4K229P227-K229 PolarHBondContact O-N 2.79Å; P227-K229 VanDerWaalsContact O-N 3.1Å
228Q53Low54.6Low185 Ų185135.2 Ų135.286%0.86476%0.757SS**PPolyproline II helixtrans-64.7117-177-173.5169.1-10.600108.6P226P226-Q228 PolarHBondContact O-N 2.96Å; P226-Q228 VanDerWaalsContact O-N 3.12Å
229K42.2Very low52.6Low175 Ų175131.6 Ų131.676%0.76176%0.759SS**PPolyproline II helixtrans-46.5125.5-175.9-156.6-179.8-172.7-176.50110.4P227 A231P227-K229 PolarHBondContact O-N 2.79Å; P227-K229 VanDerWaalsContact O-N 3.1Å; K229-A231 PolarHBondContact O-N 2.74Å
230P46.3Very low50.6Low119 Ų119130.2 Ų130.277%0.77377%0.767SS**PPolyproline II helixtrans-54.8131163.1-21.733000108.3P232P230-P232 WeakPolarHBondContact O-CD 3.38Å
231A40.2Very low49.3Very low98 Ų98133.2 Ų133.281%0.8178%0.778SS**PPolyproline II helixtrans-71124.8-17800000110K229K229-A231 PolarHBondContact O-N 2.74Å
232P43.2Very low48.2Very low103 Ų103135.1 Ų135.167%0.66978%0.784SS**PPolyproline II helixtrans-75.5145.5164.232.8-32.4000109.7P230P230-P232 WeakPolarHBondContact O-CD 3.38Å
233A37.4Very low47.1Very low98 Ų98133 Ų13381%0.8178%0.782SS**  trans53.5102.9165.500000117.8
234V42Very low46.4Very low145 Ų145132 Ų13288%0.87978%0.777SS**  trans-107.3123.9134.8-72.50000108.3
235V51.7Low45.8Very low133 Ų133131.6 Ų131.681%0.80678%0.779SS**SBendtrans171.4108.6142.7154.90000107
236S38.8Very low45.4Very low112 Ų112128.5 Ų128.578%0.78378%0.776SS**  trans30.9108.9149.8-49.50000120.6
237V44.2Very low45Very low146 Ų146132.4 Ų132.489%0.88578%0.782SS**  trans-114.6142.5139.5178.30000107.6
238T49.2Very low44.6Very low130 Ų130134.9 Ų134.980%0.79878%0.781SS**  trans-78.2163.7-169.724.50000114.1
239P45.7Very low44.2Very low122 Ų122131.7 Ų131.779%0.79278%0.777SS**  trans-100.9165.1-156.539.1-37.5000115.1
240A41.5Very low43.9Very low90 Ų90128.6 Ų128.674%0.74477%0.765SS**  179.5168.3119.200000113.5
241V52.5Low43.9Very low125 Ų125130 Ų13076%0.75877%0.771SS**  trans72.492.5159.6-161.30000119.3
242K46Very low43.8Very low187 Ų187133.5 Ų133.581%0.81377%0.768SS**  42.6141.3110.7-66.3165.8-178.8176.20119.5
243D40.4Very low44Very low146 Ų146136.1 Ų136.178%0.78178%0.776SS**  cis-159.2-155.1-11.2-139.8-27.2000109.4
244P48.1Very low44.2Very low104 Ų104139 Ų13968%0.67577%0.77SS**  trans-119.6-170.4-143.343.6-25.7000115.6
245L43.9Very low44.4Very low147 Ų147138.9 Ų138.977%0.7776%0.76SS**  162.2159.1119.3-16360.4000113.7
246V43.4Very low43.9Very low117 Ų117140 Ų14071%0.70976%0.757SS**  trans68.3101.8171.1-161.30000116.1
247K42.7Very low44.6Very low186 Ų186140 Ų14081%0.80975%0.752SS**  73.411761.3-62.8-179.8176.7178.90114
248K44.8Very low44.6Very low164 Ų164138.4 Ų138.471%0.71374%0.742SS**  cis73.5132.646.1-166.8173.4-178.6-175.80112.1E250K248-E250 WeakPolarHBondContact CE-OE2 3.49Å; K248-E250 IonicContact NZ-OE2 3.79Å; K248-E250 PolarHBondContact NZ-OE2 2.77Å
249P43.1Very low44.8Very low119 Ų119141.6 Ų141.677%0.77375%0.745SS**  cis-131.7175.945.838.4-18.5000116.1
250E36.8Very low45Very low109 Ų109143.6 Ų143.651%0.50975%0.749SS.*  cis87.8117.723.1-166.8177.2-17000118.3K248 K252K248-E250 WeakPolarHBondContact CE-OE2 3.49Å; K248-E250 IonicContact NZ-OE2 3.79Å; K248-E250 PolarHBondContact NZ-OE2 2.77Å; E250-K252 VanDerWaalsContact OE1-CE 3.3Å; E250-K252 WeakPolarHBondContact OE1-CE 3.35Å; E250-K252 IonicContact OE1-NZ 3Å
251T47.2Very low45.4Very low148 Ų148142.9 Ų142.991%0.90874%0.743SS**  trans-151160.5157.520.80000110.6
252K38.2Very low45.6Very low172 Ų172146.5 Ų146.575%0.74875%0.748SS**  trans-137.9-177.5-164.3-88.6-169.9-1801770114.8E250E250-K252 VanDerWaalsContact OE1-CE 3.3Å; E250-K252 WeakPolarHBondContact OE1-CE 3.35Å; E250-K252 IonicContact OE1-NZ 3Å
253L45.9Very low45.9Very low158 Ų158147.9 Ų147.983%0.82776%0.755SS**  trans89143.2166.9-119.573.8000114.8
254K42.6Very low46.8Very low158 Ų158152.3 Ų152.369%0.68776%0.76SS**  cis-156145.217.7-169.8178.7175-177.90111.9
255Q45.8Very low47Very low143 Ų143153.1 Ų153.167%0.66876%0.763SS**  trans24.7166152.4-66.3-177-79.700123.4
256E40.9Very low47Very low158 Ų158153.7 Ų153.774%0.73876%0.762SS**  cis163.3119-24.5178.3-166.3135.400107
257T53.1Low47Very low112 Ų112154.7 Ų154.769%0.68777%0.768SS**  trans-164.6141.6138.1-1580000108.7
258T43.8Very low46.9Very low111 Ų111153.2 Ų153.268%0.68176%0.762SS**  trans-149.2113.7-175.1-700000109.7L260T258-L260 HydrophobicContact CG2-CD1 4.21Å; T258-L260 HydrophobicContact CG2-CG 3.91Å
259F55Low47.3Very low197 Ų197152.1 Ų152.186%0.86477%0.769SS**  trans-108.599169.7-77.4-85.1000109.4
260L50.1Low47.2Very low165 Ų165150.4 Ų150.486%0.86476%0.76SS**  trans-92.2127.9168-71.9168.4000108.8T258T258-L260 HydrophobicContact CG2-CD1 4.21Å; T258-L260 HydrophobicContact CG2-CG 3.91Å
261A49.8Very low47.4Very low74 Ų74151.4 Ų151.461%0.61277%0.774SS**  trans-144.7149.3172.900000111.3
262F55.2Low47.1Very low201 Ų201150 Ų15088%0.88277%0.765SS**  trans63.759.9167.6-42.9-60.5000117.6
263K53.5Low47.5Very low217 Ų217149.1 Ų149.194%0.94377%0.767SS**  trans-96.3129.5132.8-82.5-156.9170.1-166.10108.5
264R58.4Low47.3Very low239 Ų239147.4 Ų147.490%0.90277%0.768SS**  trans-116.4115.9-177.4-154.7173.1-164.4152.93110.2
265T53.3Low47.1Very low120 Ų120143.5 Ų143.574%0.73677%0.773SS**  trans42.5103.4149.7-48.20000118.8
266E42.8Very low46.7Very low160 Ų160143.6 Ų143.675%0.74878%0.777SS**  trans-43.2139150.7172.5-176.7170.300114.1
267V44.9Very low46.7Very low138 Ų138140.3 Ų140.384%0.83677%0.772SS**  trans-133.1139.3151.1178.50000107.4
268K40.6Very low46.2Very low154 Ų154140.2 Ų140.267%0.6778%0.776SS**  trans-123.9128.8-167.1175179.4176.5178.90111.6
269T51.3Low46Very low142 Ų142140.1 Ų140.187%0.87178%0.78SS**  trans-144.6143.7159.2-55.90000107.7
270S42.4Very low45.3Very low82 Ų82135.7 Ų135.757%0.57378%0.78SS**  trans-117.3166.7-166-61.50000113.1
271T41Very low44.8Very low131 Ų131133.7 Ų133.780%0.80478%0.779SS**  trans100.2145.5143.1-200000118.5
272V41.6Very low44.5Very low119 Ų119136.6 Ų136.672%0.72179%0.789SS**  trans81.187.9162.7-158.70000119.7
273I45.1Very low43.8Very low153 Ų153132.9 Ų132.979%0.78579%0.788SS**  61.1124.7129.9-56.4173.4000121.7
274S42.2Very low43.2Very low121 Ų121127.8 Ų127.885%0.84678%0.78SS**  trans-6.6143.7150.7-45.80000121.8
275G37.8Very low42.6Very low77 Ų77122.4 Ų122.479%0.79478%0.779SS**  trans-175.946.9171.400000119.8
276N38.8Very low42.2Very low144 Ų144122.8 Ų122.877%0.7778%0.781SS**  trans16.1113.9161-178.575.2000121.6
277S40.1Very low42.6Very low90 Ų90121.1 Ų121.163%0.62978%0.782SS**  trans47.2122.9136.8-44.30000122.5
278S43.4Very low42.6Very low110 Ų110120.3 Ų120.377%0.76978%0.782SS**  171.7161.3113.8-77.10000113.7
279S39.8Very low43Very low108 Ų108116.8 Ų116.876%0.75579%0.79SS**  trans45.5113.516349.90000118.7
280A39Very low43.1Very low104 Ų104118.4 Ų118.486%0.8679%0.792SS**  69.788.856.300000115.1
281S39.3Very low43.5Very low123 Ų123121.6 Ų121.686%0.8681%0.808SS**  trans-151.3147.9148.959.10000111.2
282V44.2Very low43.7Very low136 Ų136118.3 Ų118.382%0.82480%0.801SS**  trans-84.8152.7178-69.30000110.9
283S41.4Very low44.4Very low123 Ų123125.6 Ų125.686%0.8682%0.816SS**  trans-170147132-85.90000112.4
284S40Very low44.6Very low110 Ų110123 Ų12377%0.76982%0.817SS**  trans-93.1149.8176.451.10000112
285S46Very low44.9Very low126 Ų126121.9 Ų121.988%0.88182%0.815SS**  trans-156.3147.6143.7-88.50000113.3
286V44.8Very low45.6Very low128 Ų128128.4 Ų128.478%0.77682%0.822SS**  trans-64.4152.9179.4-75.40000112.7
287T52.2Low45.6Very low124 Ų124126.6 Ų126.676%0.76183%0.827SS**  177.516090.431.90000112.7
288S44.8Very low45.6Very low122 Ų122126.2 Ų126.285%0.85383%0.829SS**  trans45127.8145.9-56.20000122.3
289G48.3Very low45.5Very low80 Ų80130.4 Ų130.483%0.82583%0.834SS**  trans168.738.2167.100000119.4T291G289-T291 PolarHBondContact O-N 3.08Å
290L53.2Low45.8Very low176 Ų176131.6 Ų131.692%0.92184%0.836SS**  trans-76.4107176.8-77.3167.1000112.3
291T49.8Very low45.8Very low148 Ų148132.4 Ų132.491%0.90884%0.836SS**  trans-170.7148.8159.7-81.50000110.6G289G289-T291 PolarHBondContact O-N 3.08Å
292G46.6Very low45.9Very low63 Ų63132.5 Ų132.565%0.64984%0.837SS**  trans139.4-9.4150.700000120.1A294G292-A294 PolarHBondContact O-N 2.95Å
293W55Low45.8Very low272 Ų272130.8 Ų130.8100%1.0384%0.836SS**  trans-10067.2-175.4-77.120.8000113.3
294A49.4Very low46Very low99 Ų99128.3 Ų128.382%0.81883%0.831SS**  trans-150.565.5178.800000113.8G292G292-A294 PolarHBondContact O-N 2.95Å
295A48.4Very low46.5Very low97 Ų97129.5 Ų129.580%0.80284%0.836SS**  trans-161.295.8170.500000114.6
296F52.4Low46.2Very low213 Ų213128.7 Ų128.793%0.93483%0.83SS**  trans-167.995.113068.1-77.6000111.7
297A39.4Very low46.1Very low107 Ų107129.2 Ų129.288%0.88483%0.834SS**  trans-149.675.3172.700000110.7
298A39.5Very low45.7Very low82 Ų82128 Ų12868%0.67884%0.837SS**  trans-163.7147.517300000112.3
299K41Very low45.5Very low198 Ų198130.6 Ų130.686%0.86183%0.833SS**  trans68.5134.6-177.595.4-161159.3-67.30115.2
300T46.3Very low45.2Very low132 Ų132133.5 Ų133.581%0.8183%0.828SS**  cis-130.2139.17.546.60000112.8
301S39.7Very low44.4Very low122 Ų122130.1 Ų130.185%0.85382%0.819SS**  trans-127.3131.4166.2-59.70000109.9
302S41.8Very low43.8Very low125 Ų125128.1 Ų128.187%0.87481%0.812SS**  trans176.5148.8160.3-99.10000107
303A41.3Very low43.4Very low99 Ų99131 Ų13182%0.81882%0.817SS**  cis171.9128.3-17.300000102.7
304G46.8Very low42.5Very low72 Ų72123.9 Ų123.974%0.74280%0.803SS**  trans-153.8127.2-177.800000109.7
305P49.9Very low42.3Very low135 Ų135127.8 Ų127.888%0.87781%0.805SS**  trans-90.8164.6-162.834.9-36.9000115
306S39.9Very low41.7Very low108 Ų108129.9 Ų129.976%0.75580%0.802SS**  trans-65.1158.4178.1-410000114.6
307T41.3Very low40.9Very low139 Ų139123.5 Ų123.585%0.85378%0.784SS**  -175.4151113.122.20000112.6
308A43.9Very low40.6Very low100 Ų100125.6 Ų125.683%0.82679%0.786SS**  trans63.6147.2158.100000119.8
309K40.6Very low40.6Very low176 Ų176125.2 Ų125.277%0.76579%0.791SS**  cis-171.5143-29.2-145.2-164.2171.7-177.50108.3
310L42.4Very low40.6Very low141 Ų141125.5 Ų125.574%0.73879%0.792SS**  trans64159.5164.2-52.5167.3000115.8
311S36.7Very low40.5Very low104 Ų104124.6 Ų124.673%0.72779%0.788SS**  cis-157157.4-27.9-100.80000110
312S38.4Very low40.5Very low107 Ų107123.5 Ų123.575%0.74879%0.787SS**  trans-77.5153.1172.351.40000113.5
313T38.1Very low40.3Very low124 Ų124123.7 Ų123.776%0.76178%0.782SS**  -170.6117128.8-750000112.6
314T35.8Very low40.5Very low121 Ų121124.9 Ų124.974%0.74279%0.785SS**  trans15.3156134.4-30.30000123
315Q45.1Very low40.3Very low182 Ų182127.3 Ų127.385%0.8579%0.791SS**  trans92.7153.6160-59.8-170.6-11.800118.3
316N34.7Very low40.3Very low140 Ų140126 Ų12675%0.74979%0.791SS**  cis-162158.1-40.3-164.219.7000110.7
317S35.4Very low40.4Very low79 Ų79128.3 Ų128.355%0.55280%0.795SS**  trans38124.814763.80000123.5
318T34.9Very low41Very low151 Ų151128.3 Ų128.393%0.92679%0.785SS**  trans76.4124.9133.7-53.80000120.6
319G39.1Very low41.1Very low75 Ų75131.1 Ų131.177%0.77378%0.779SS**  trans172.2118.5164.200000114.5
320K40.1Very low41.2Very low203 Ų203128.7 Ų128.788%0.88378%0.781SS**  trans-162.2161.8178.6-144.4-149.6-178.9-177.90108
321P44.6Very low41.8Very low114 Ų114128.6 Ų128.674%0.7479%0.786SS**  cis-118173.4-3039-26.8000112.8
322A38.7Very low42.1Very low99 Ų99127 Ų12782%0.81879%0.786SS**  trans-165.7128.8146.500000114.9
323T39.4Very low42.8Very low128 Ų128130.4 Ų130.479%0.78580%0.795SS**  trans3.4128.5147.8-50.90000121.9
324S44.3Very low42.9Very low124 Ų124131.7 Ų131.787%0.86780%0.802SS**  -164.8148.7124.7-83.90000111.6
325S42.8Very low43.3Very low124 Ų124129.4 Ų129.487%0.86780%0.803SS**  trans-110.2150-168.7-59.10000113.9
326A51.1Low43.2Very low108 Ų108129.1 Ų129.189%0.89381%0.807SS**  trans-143153.1160.400000109.8
327N41.2Very low43.4Very low155 Ų155126.2 Ų126.283%0.82980%0.802SS**  trans-140.2176.1-164.8-169.56.2000111.1
328Q53.6Low43.9Very low139 Ų139129.4 Ų129.465%0.6582%0.818SS**  trans84.6143.7179-52.8-175.168.500114.8
329K47Very low44.4Very low159 Ų159127.1 Ų127.169%0.69181%0.809SS**  cis-163145.3-10.1-116.5169.7-175157.90108.8
330P41.9Very low45Very low126 Ų126129.3 Ų129.382%0.81881%0.812SS**  trans-81.8151.3158.134.4-32000110.7
331V55.8Low45.3Very low139 Ų139129.3 Ų129.384%0.84281%0.812SS**  trans-135.6129.5174.7-158.40000108.9
332G41Very low45.2Very low69 Ų69127.5 Ų127.571%0.71182%0.815SS**  trans-98.8160.1177.500000112.6
333L54.6Low45.5Very low180 Ų180126.5 Ų126.594%0.94281%0.814SS**  trans-135.4130.8167.5-85.9169.4000109.6
334T40.2Very low45.9Very low150 Ų150128.5 Ų128.592%0.9282%0.818SS**  trans-130.1148.4174.538.20000110
335G43.9Very low45.8Very low74 Ų74125.5 Ų125.576%0.76381%0.806SS**  trans122.7152.7-176.500000111.9
336L42.3Very low45.9Very low175 Ų175124.9 Ų124.992%0.91680%0.802SS**  cis-150160.7-11.7-174.357.8000108.3
337A39.9Very low45.7Very low80 Ų80128.5 Ų128.566%0.66180%0.798SS**  trans-73.4151.3-170.800000114.7
338T45.7Very low45.8Very low145 Ų145129 Ų12989%0.8980%0.799SS**  trans-132.8153.3150.551.20000109.1
339S44.3Very low45.4Very low104 Ų104126 Ų12673%0.72781%0.805SS**  trans-140.2175-163.2-58.80000113
340S53.1Low45.3Very low120 Ų120124 Ų12484%0.83981%0.811SS**  trans81.3151.4-17885.30000114.8
341K46.6Very low45.4Very low203 Ų203126 Ų12688%0.88382%0.815SS**  cis-155.1136.816.5-172.4176178.4177.60113.3
342G41.5Very low44.7Very low77 Ų77126.3 Ų126.379%0.79481%0.812SS**  trans82.7140.8169.500000115.6
343G44.6Very low44.6Very low78 Ų78127.3 Ų127.380%0.80481%0.808SS**  cis90.3126.27.100000112.1
344I48.6Very low44.1Very low170 Ų170124.5 Ų124.587%0.87280%0.798SS**  cis-144160.316.248.4174.7000109.2
345G42Very low44.3Very low60 Ų60123 Ų12362%0.61979%0.789SS**  68.2126.470.400000112.7
346S45.9Very low44.6Very low112 Ų112125.6 Ų125.678%0.78379%0.793SS**  cis-167.6159.58.8-79.20000113.7
347K45.3Very low44.9Very low184 Ų184123.6 Ų123.680%0.879%0.788SS**  trans55.7121.3150.4-69.4-178-177.8-176.40123.1
348I44.8Very low45.2Very low165 Ų165126.3 Ų126.385%0.84680%0.796SS**  44.4123.4121.4-52.4163.4000119.1
349G44.2Very low45.4Very low76 Ų76125.2 Ų125.278%0.78479%0.791SS**  trans-178.8111157.800000113.6
350S44.2Very low45.5Very low116 Ų116128.4 Ų128.481%0.81180%0.799SS**  trans-101.7128.8167.7-60.90000109.5
351N45.2Very low45.3Very low170 Ų170132.2 Ų132.291%0.90980%0.8SS**  trans-169.5162.5135.9-103.8-16000115.1
352N40.1Very low46.2Very low145 Ų145127.6 Ų127.678%0.77579%0.791SS**  trans-54.8164.6-173.8-17431.2000118.2
353S39.8Very low47.4Very low90 Ų90129.3 Ų129.363%0.62979%0.788SS**  trans98.4128.5147-930000122.6
354T43.8Very low48.6Very low120 Ų120131.2 Ų131.274%0.73679%0.787SS**  trans78.997.8146.7-48.20000119.6
355T45.7Very low49.5Very low119 Ų119128.6 Ų128.673%0.7378%0.781SS**  trans11.3137146.258.40000120.1
356P48.4Very low49.8Very low129 Ų129134.3 Ų134.384%0.83880%0.796SS**  -130.7155.2105.637.6-32.7000114.9
357T48.5Very low50.2Low133 Ų133135.1 Ų135.182%0.81680%0.797SS**  trans-96.8134178.850.70000112.7
358V47.8Very low50.4Low137 Ų137134.4 Ų134.483%0.8380%0.8SS**  trans-135132.8163.5-1780000108.2
359P49.8Very low50.3Low121 Ų121130.1 Ų130.179%0.78680%0.797SS**PPolyproline II helixtrans-90.5156.5-156.334.1-37.5000116
360L46.3Very low50.7Low171 Ų171135.8 Ų135.890%0.89580%0.8SS**PPolyproline II helixtrans-66.7145.3166.3-68.3168000111.3
361K48.6Very low51Low200 Ų200137.4 Ų137.487%0.8781%0.806SS**PPolyproline II helixtrans-90.5119.9-179.6-171164.2-174.8166.50111.3
362P66.1Low51Low106 Ų106132.5 Ų132.569%0.68880%0.795SS**PPolyproline II helixtrans-77154.9-179.431.4-35.5000112.6
363P65.9Low51.4Low113 Ų113133.8 Ų133.873%0.73480%0.801SS**PPolyproline II helixtrans-72.2155.1167.232.3-34.8000111.3
364P69.9Low51.5Low119 Ų119133.8 Ų133.877%0.77380%0.801SS**PPolyproline II helixtrans-70.6148.1178.829.8-35.2000112.3
365P67.7Low51.6Low114 Ų114138.7 Ų138.774%0.7481%0.806SS**PPolyproline II helixtrans-74.8146.1-177.830.8-35.6000112.9T367P365-T367 PolarHBondContact O-N 3.22Å
366L47.7Very low51.5Low180 Ų180139 Ų13994%0.94281%0.813SS**  trans-84105.3169.4-67.2172.7000109.9
367T55.4Low51.3Low130 Ų130139.2 Ų139.280%0.79881%0.812SS**  trans-86.3121.4173.150.60000111.2P365 G369P365-T367 PolarHBondContact O-N 3.22Å; T367-G369 PolarHBondContact O-N 3.42Å
368L47.9Very low51.1Low168 Ų168138.9 Ų138.988%0.8882%0.815SS**  trans-81.593.1-171.6-166.574.2000112.4
369G42.8Very low51.2Low76 Ų76137.9 Ų137.978%0.78481%0.813SS**  trans-88.4116175.400000113.1T367T367-G369 PolarHBondContact O-N 3.42Å
370K52.7Low51.1Low194 Ų194139.6 Ų139.684%0.84382%0.815SS**  trans-87.8118.4174.8-69.5178.1177.8176.80112
371T50.4Low51.1Low150 Ų150138.5 Ų138.592%0.9281%0.81SS**  trans-142.3146.2143.846.20000108.9
372G46.5Very low51.1Low67 Ų67134 Ų13469%0.69180%0.8SS**  trans-110.9160.3-17600000113.4
373L48.2Very low50.3Low172 Ų172134.1 Ų134.190%0.90180%0.803SS**  trans47.689.4147.4-60.4169.5000117.8
374S41.4Very low49.5Very low90 Ų90137.7 Ų137.763%0.62981%0.807SS**  179.2127.4107.5-84.30000115.8
375R45.5Very low48.4Very low224 Ų224138.6 Ų138.685%0.84581%0.81SS**  56.4131.1126.6-53166.5-152.1-100.41.5120.8
376S43.5Very low47.4Very low125 Ų125136.9 Ų136.987%0.87481%0.812SS**  trans85.8149145.9-61.80000119.6
377V44.2Very low47.6Very low133 Ų133136.2 Ų136.281%0.80681%0.809SS**  trans-95.1148.8-176.2-66.60000111.4
378S45.7Very low47.5Very low126 Ų126135.1 Ų135.188%0.88180%0.804SS**  trans-168.7169.1137.4-85.20000110.9
379C49.8Very low47.1Very low117 Ų117132.3 Ų132.379%0.79180%0.798SS**  trans-84159.3-160.954.40000116.4
380D46.9Very low47.4Very low156 Ų156134.8 Ų134.883%0.83480%0.801SS**  trans-59147.3165-40-115.9000112.6
381N45.5Very low47.3Very low148 Ų148131.8 Ų131.879%0.79180%0.804SS**  -161130.4115.4-15313.4000114.7
382V49.4Very low47Very low107 Ų107130.1 Ų130.165%0.64880%0.799SS**  trans21.7121.9153.978.20000122.8
383S48.8Very low46.9Very low107 Ų107134.6 Ų134.675%0.74881%0.806SS**  trans21.2148.4131.8-40.80000120.9
384K48.9Very low47Very low188 Ų188132.5 Ų132.582%0.81780%0.8SS**  -175.5130.259.8178.5-176.6174.4-174.10114.6
385V48.7Very low47.1Very low139 Ų139134.7 Ų134.784%0.84281%0.812SS**  trans56121.8153.8177.30000119.4
386G45.8Very low47.2Very low77 Ų77127.6 Ų127.679%0.79481%0.808SS**  trans-177.196.6165.300000111.7
387L52.5Low47.2Very low167 Ų167129.2 Ų129.287%0.87481%0.807SS**  trans-124.1167.1177.8-87.7173000108.5
388P52.1Low47.2Very low107 Ų107127.1 Ų127.170%0.69580%0.799SS**  cis-134.9-1633.230.9-6.9000114.5
389S39.9Very low47.4Very low108 Ų108125.7 Ų125.776%0.75579%0.789SS**  trans96.4109147.8-57.60000119.4
390P50.2Low47.1Very low128 Ų128128.8 Ų128.883%0.83179%0.792SS**  trans-97.9165.1167.838.8-33.1000112.9
391S49.5Very low47Very low131 Ų131129.5 Ų129.592%0.91680%0.795SS**  trans-127138.6165.1-71.50000111
392S43.3Very low47.1Very low115 Ų115128 Ų12880%0.80480%0.796SS**  trans-92.9148.9-174.554.50000113.6
393L46.1Very low46.7Very low162 Ų162126.2 Ų126.285%0.84880%0.798SS**  trans-149.9102.2161-103.3156.1000112.4
394V48.8Very low46.7Very low127 Ų127129.5 Ų129.577%0.7781%0.808SS**  trans46.8137.7148.8-58.70000123.5
395P44.5Very low46.4Very low136 Ų136123.4 Ų123.488%0.88380%0.798SS**  trans-102.8176.7169.741-34.9000113.8
396G47.6Very low46.5Very low75 Ų75124.5 Ų124.577%0.77380%0.799SS**  trans-146.5138.6176.300000116.2
397N43.9Very low46.5Very low159 Ų159127 Ų12785%0.8580%0.799SS**  trans-20.5161.7156.6-106.8-2.7000119.5
398S44.2Very low46.2Very low90 Ų90122.8 Ų122.863%0.62980%0.796SS**  cis-167.6-174.1-2.3-140.60000112.7
399S48.9Very low46Very low96 Ų96124.1 Ų124.167%0.67180%0.803SS**  trans67.1111.7160.3-56.80000118.2
400Q42.9Very low46.3Very low181 Ų181125.3 Ų125.385%0.84681%0.811SS**  69.4116.977.6-78-165.8-60.100116.1
401L45.3Very low45.9Very low172 Ų172122.7 Ų122.790%0.90181%0.807SS**  -174.8165.4123.9-100.8162.2000113.1
402S47.4Very low46.1Very low117 Ų117122.1 Ų122.182%0.81880%0.801SS**  trans-61.1166.9-177-47.10000115
403G42.3Very low45.9Very low68 Ų68122.7 Ų122.770%0.70180%0.804SS**  cis155.2-168.8-1.300000112.2
404N48.1Very low45.8Very low177 Ų177118.1 Ų118.195%0.94780%0.797SS**  trans72.2153.5176.4-152.466.6000117.6
405G42.6Very low45.3Very low59 Ų59117.9 Ų117.961%0.60880%0.8SS**  trans-159.1-176.7177.700000111.6
406N51.6Low45.2Very low162 Ų162118 Ų11887%0.86680%0.799SS**  trans-152.2159.3170.8-164.223.2000111.9
407T44.7Very low44.8Very low130 Ų130120.5 Ų120.580%0.79880%0.8SS**  trans-112.3161.5-173.751.20000113.1
408G46.7Very low44.8Very low79 Ų79119 Ų11981%0.81480%0.801SS**  trans-169.8120.4173.800000112.4
409T47.1Very low44.5Very low134 Ų134123.6 Ų123.682%0.82281%0.81SS**  trans-118139.5-166.5450000114.3
410S47.3Very low44.2Very low133 Ų133125.3 Ų125.393%0.9382%0.816SS**  trans-174.8161159.2-80.90000110.2
411G40.7Very low43.9Very low73 Ų73122.3 Ų122.375%0.75381%0.811SS**  cis148.772-10.300000115.1
412P54Low43.7Very low120 Ų120119.2 Ų119.278%0.77980%0.804SS**  trans-108.2153.1-174.838.9-31.4000115.5
413S40.2Very low43.4Very low126 Ų126122.4 Ų122.488%0.88181%0.805SS**  trans152.9155.7139.1-71.30000114.6
414G42.9Very low43.3Very low67 Ų67124.2 Ų124.269%0.69181%0.808SS**  trans90.7121.1172.200000113.7
415S38.4Very low43Very low121 Ų121121.8 Ų121.885%0.84680%0.804SS**  cis76.8108.737.1-55.10000115.4
416T42.8Very low42.9Very low140 Ų140124.4 Ų124.486%0.85981%0.813SS**  171.5150.9123.1-68.40000112.4
417T39.3Very low42.5Very low127 Ų127122 Ų12278%0.77981%0.809SS**  trans-63.1148.8-177.3-45.40000116.7
418S44.1Very low42.3Very low126 Ų126121.8 Ų121.888%0.88181%0.81SS**  trans-163.8169.5148.4-88.60000113.2
419K38.2Very low42.1Very low187 Ų187123.8 Ų123.881%0.81381%0.811SS**  trans-144.9119.3-158.9169.6-158.6170.2-172.70114.2
420T40.7Very low41.9Very low132 Ų132121.4 Ų121.481%0.8181%0.805SS**  trans-161.5132.916141.50000108.2
421T38.4Very low41.5Very low119 Ų119120.2 Ų120.273%0.7380%0.797SS**  cis88.375.533.6680000117.4
422S41.2Very low41.6Very low107 Ų107125.2 Ų125.275%0.74881%0.805SS**  trans-177.7122.2146.852.60000107.7
423E40.1Very low41.1Very low183 Ų183129.2 Ų129.286%0.85581%0.811SS**  54.7127.482.1-59.3-157.4153.100112.7
424S40.7Very low41.2Very low107 Ų107125.3 Ų125.375%0.74879%0.79SS**  cis-155-172.224.3-100.80000113.3
425S41.4Very low41.8Very low126 Ų126128.2 Ų128.288%0.88180%0.797SS**  trans88.8121.7167.678.70000118.2
426S41.2Very low42.7Very low113 Ų113127.8 Ų127.879%0.7979%0.789SS**  trans-130.2132.2-174.258.20000111.4
427S42.3Very low43.8Very low111 Ų111125.2 Ų125.278%0.77678%0.777SS**  trans-127.2111.7177.4-65.20000110.9S429S427-S429 PolarHBondContact O-N 3.15Å; S427-S429 VanDerWaalsContact O-N 3.1Å
428P41.1Very low45.6Very low126 Ų126125.9 Ų125.982%0.81877%0.771SS**  trans-82.784.4179.832.7-33.6000111.1A430P428-A430 PolarHBondContact O-N 3.5Å
429S42.1Very low47.2Very low121 Ų121126.5 Ų126.585%0.84676%0.76SS**  trans-63.6120.5176.1-66.40000111.6S427S427-S429 PolarHBondContact O-N 3.15Å; S427-S429 VanDerWaalsContact O-N 3.1Å
430A42.4Very low49.3Very low84 Ų84120 Ų12069%0.69474%0.739SS**  trans-82.9158.9-169.900000114.5P428P428-A430 PolarHBondContact O-N 3.5Å
431S38.4Very low51.4Low108 Ų108119.7 Ų119.776%0.75573%0.728SS**  trans50.779.4147.2-63.60000119
432L44.2Very low53.6Low178 Ų178118.7 Ų118.793%0.93272%0.717SS**  trans-115.866.3152.2-71.1178000111.2G434L432-G434 VanDerWaalsContact C-N 3.34Å; L432-G434 PolarHBondContact O-N 2.99Å
433K42.6Very low55.9Low205 Ų205114.9 Ų114.989%0.89169%0.689SS**  trans-74.683.3170.1-75.7-172.7176.1-178.80110.5
434G42.6Very low58.1Low44 Ų44106.9 Ų106.945%0.45465%0.654SS.*  trans-64.6140.8168.800000111.6L432 T436L432-G434 VanDerWaalsContact C-N 3.34Å; L432-G434 PolarHBondContact O-N 2.99Å; G434-T436 PolarHBondContact O-N 3.16Å
435P54.6Low60.5Low128 Ų128106.8 Ų106.883%0.83164%0.643SS**THydrogen-bonded Turntrans-69.3-5.9-171.226.6-35.3000115.3S437P435-S437 VanDerWaalsContact C-N 3.33Å; P435-S437 PolarHBondContact O-N 3.12Å
436T58Low63Low111 Ų111106.9 Ų106.968%0.68163%0.627SS**Hα-helixtrans-61.6-32.2-175.2-177.80000114.6G434 Q438 S440G434-T436 PolarHBondContact O-N 3.16Å; T436-Q438 PolarHBondContact O-N 2.99Å; T436-S440 WeakPolarHBondContact O-CB 3.32Å; T436-S440 PolarHBondContact O-N 3.31Å; T436-S440 VanDerWaalsContact O-N 3.12Å
437S66.7Low65.2Low86 Ų86103.3 Ų103.360%0.60160%0.597SS**Hα-helixtrans-67.3-35.9-169.9-1700000114P435 Q441P435-S437 VanDerWaalsContact C-N 3.33Å; P435-S437 PolarHBondContact O-N 3.12Å; S437-Q441 WeakPolarHBondContact O-CB 3.22Å; S437-Q441 PolarHBondContact O-N 2.85Å
438Q77.2Confident67.5Low141 Ų141103 Ų10366%0.65959%0.586SS**Hα-helixtrans-75.7-43-175.5-172.9176.10.300111.8T436 S440 Q441 L442T436-Q438 PolarHBondContact O-N 2.99Å; Q438-S440 VanDerWaalsContact C-N 3.34Å; Q438-Q441 PolarHBondContact O-N 3.09Å; Q438-L442 HydrophobicContact CG-CD1 4.35Å; Q438-L442 WeakPolarHBondContact O-CG 3.33Å; Q438-L442 PolarHBondContact O-N 3.46Å
439E77.8Confident70.1Confident140 Ų140103.7 Ų103.765%0.65458%0.578SS**Hα-helixtrans-61.4-44.2174.2-169.475.193.100110.7Q441 L442 N443E439-Q441 PolarHBondContact O-N 3.22Å; E439-L442 PolarHBondContact O-N 3.28Å; E439-N443 WeakPolarHBondContact O-CB 3.35Å; E439-N443 PolarHBondContact O-N 2.91Å
440S80.8Confident72.4Confident51 Ų51102.5 Ų102.536%0.35756%0.56SS.*Hα-helixtrans-60.2-44.1175.6-173.10000112.2T436 Q438 N443 A444T436-S440 WeakPolarHBondContact O-CB 3.32Å; T436-S440 PolarHBondContact O-N 3.31Å; T436-S440 VanDerWaalsContact O-N 3.12Å; Q438-S440 VanDerWaalsContact C-N 3.34Å; S440-N443 PolarHBondContact O-N 3.09Å; S440-A444 WeakPolarHBondContact O-CB 3.3Å; S440-A444 PolarHBondContact O-N 3.21Å
441Q84.6Confident74.7Confident124 Ų124103.3 Ų103.358%0.57956%0.556SS**Hα-helixtrans-64-43.6176.7-171.4-179.322.200112.3S437 Q438 E439 N443 A444 M445S437-Q441 WeakPolarHBondContact O-CB 3.22Å; S437-Q441 PolarHBondContact O-N 2.85Å; Q438-Q441 PolarHBondContact O-N 3.09Å; E439-Q441 PolarHBondContact O-N 3.22Å; Q441-N443 VanDerWaalsContact C-N 3.34Å; Q441-N443 PolarHBondContact O-N 3.45Å; Q441-A444 PolarHBondContact O-N 3.41Å; Q441-M445 WeakPolarHBondContact O-CG 3.39Å; Q441-M445 PolarHBondContact O-N 3.21Å
442L86.1Confident77.3Confident98 Ų98106.1 Ų106.151%0.51356%0.555SS.*Hα-helixtrans-64.1-39.5176.7-72171.3000111.7Q438 E439 M445 K446Q438-L442 HydrophobicContact CG-CD1 4.35Å; Q438-L442 WeakPolarHBondContact O-CG 3.33Å; Q438-L442 PolarHBondContact O-N 3.46Å; E439-L442 PolarHBondContact O-N 3.28Å; L442-M445 PolarHBondContact O-N 3.3Å; L442-K446 WeakPolarHBondContact O-CB 3.29Å; L442-K446 PolarHBondContact O-N 2.96Å
443N88.3Confident79.6Confident28 Ų28104.7 Ų104.715%0.1554%0.541CS..Hα-helixtrans-62.5-49.4173-170.2-28.3000111.1E178 E439 S440 Q441 M445 K446 R447E178-N443 PolarHBondContact OE1-ND2 2.99Å; E178-N443 PolarHBondContact OE2-ND2 3.01Å; E439-N443 WeakPolarHBondContact O-CB 3.35Å; E439-N443 PolarHBondContact O-N 2.91Å; S440-N443 PolarHBondContact O-N 3.09Å; Q441-N443 VanDerWaalsContact C-N 3.34Å; Q441-N443 PolarHBondContact O-N 3.45Å; N443-M445 VanDerWaalsContact C-N 3.35Å; N443-M445 PolarHBondContact O-N 3.33Å; N443-K446 WeakPolarHBondContact O-CA 3.48Å; N443-K446 WeakPolarHBondContact O-CB 3.34Å; N443-K446 PolarHBondContact O-N 3.06Å; N443-K446 VanDerWaalsContact O-N 3.07Å; N443-R447 WeakPolarHBondContact O-CG 3.29Å; N443-R447 PolarHBondContact O-N 3.26Å; N443-R447 PolarHBondContact OD1-NE 3.15Å
444A87.9Confident81.9Confident14 Ų14102 Ų10212%0.11653%0.529CS..Hα-helixtrans-56.6-44.4175.900000112.6S440 Q441 K446 R447 L448S440-A444 WeakPolarHBondContact O-CB 3.3Å; S440-A444 PolarHBondContact O-N 3.21Å; Q441-A444 PolarHBondContact O-N 3.41Å; A444-K446 PolarHBondContact O-N 2.65Å; A444-R447 WeakPolarHBondContact O-CB 2.89Å; A444-R447 PolarHBondContact O-N 2.84Å; A444-L448 PolarHBondContact O-N 3.1Å
445M90.1Very high84Confident105 Ų105102.2 Ų102.252%0.51753%0.527SS..Hα-helixtrans-63.3-39.7174.4-70.6-168.378.400112.7Q441 L442 N443 L448 Q449Q441-M445 WeakPolarHBondContact O-CG 3.39Å; Q441-M445 PolarHBondContact O-N 3.21Å; L442-M445 PolarHBondContact O-N 3.3Å; N443-M445 VanDerWaalsContact C-N 3.35Å; N443-M445 PolarHBondContact O-N 3.33Å; M445-L448 PolarHBondContact O-N 3.12Å; M445-Q449 WeakPolarHBondContact O-CG 3.36Å; M445-Q449 PolarHBondContact O-N 3.39Å
446K93.5Very high85.5Confident129 Ų12998.9 Ų98.956%0.56151%0.51SS*.Hα-helixtrans-63.6-40.7175.2-174.5-177.8178.7-1740111.7L442 N443 A444 Q449 M450L442-K446 WeakPolarHBondContact O-CB 3.29Å; L442-K446 PolarHBondContact O-N 2.96Å; N443-K446 WeakPolarHBondContact O-CA 3.48Å; N443-K446 WeakPolarHBondContact O-CB 3.34Å; N443-K446 PolarHBondContact O-N 3.06Å; N443-K446 VanDerWaalsContact O-N 3.07Å; A444-K446 PolarHBondContact O-N 2.65Å; K446-Q449 PolarHBondContact O-N 3.5Å; K446-M450 WeakPolarHBondContact O-CG 3.3Å; K446-M450 PolarHBondContact O-N 3.13Å
447R87.1Confident86.7Confident38 Ų3899.9 Ų99.914%0.14351%0.507CS..Hα-helixtrans-61.5-49.9172.6-65173.5-165.4-175.33.3111.3G159 E178 H183 N443 A444 Q449 M450 V451G159-R447 PolarHBondContact O-NH1 2.72Å; E178-R447 IonicContact OE1-CZ 3.63Å; E178-R447 IonicContact OE1-NE 3.85Å; E178-R447 IonicContact OE1-NH2 2.85Å; E178-R447 PolarHBondContact OE1-NH2 2.76Å; E178-R447 IonicContact OE2-NH2 3.96Å; E178-R447 PolarHBondContact OE2-NH2 2.97Å; H183-R447 HydrophobicContact CB-CG 4.47Å; H183-R447 PolarHBondContact O-NH1 3.42Å; H183-R447 PolarHBondContact O-NH2 3.27Å; N443-R447 WeakPolarHBondContact O-CG 3.29Å; N443-R447 PolarHBondContact O-N 3.26Å; N443-R447 PolarHBondContact OD1-NE 3.15Å; A444-R447 WeakPolarHBondContact O-CB 2.89Å; A444-R447 PolarHBondContact O-N 2.84Å; R447-Q449 VanDerWaalsContact C-N 3.31Å; R447-Q449 PolarHBondContact O-N 3Å; R447-M450 PolarHBondContact O-N 3.1Å; R447-V451 WeakPolarHBondContact O-CG2 3.37Å; R447-V451 PolarHBondContact O-N 3.05Å
448L92Very high87.6Confident105 Ų105103.3 Ų103.355%0.5551%0.511SS..Hα-helixtrans-55.3-43.2176.5-82159.3000112A444 M445 V451 K452A444-L448 PolarHBondContact O-N 3.1Å; M445-L448 PolarHBondContact O-N 3.12Å; L448-V451 PolarHBondContact O-N 3.22Å; L448-K452 VanDerWaalsContact O-CB 3.27Å; L448-K452 WeakPolarHBondContact O-CB 3.21Å; L448-K452 PolarHBondContact O-N 3.18Å
449Q94.2Very high87.8Confident140 Ų140105 Ų10565%0.65452%0.517SS*.Hα-helixtrans-63.4-43.6173.8-72.7-1738.900112.7M445 K446 R447 K452 K453M445-Q449 WeakPolarHBondContact O-CG 3.36Å; M445-Q449 PolarHBondContact O-N 3.39Å; K446-Q449 PolarHBondContact O-N 3.5Å; R447-Q449 VanDerWaalsContact C-N 3.31Å; R447-Q449 PolarHBondContact O-N 3Å; Q449-K452 PolarHBondContact O-N 3.44Å; Q449-K453 VanDerWaalsContact O-CB 3.32Å; Q449-K453 WeakPolarHBondContact O-CB 3.43Å; Q449-K453 PolarHBondContact O-N 3.39Å
450M91Very high87.6Confident96 Ų96106 Ų10647%0.47353%0.526SS..Hα-helixtrans-64.3-41.6177-72.3-162.3-68.500112.4K446 R447 K453 K454K446-M450 WeakPolarHBondContact O-CG 3.3Å; K446-M450 PolarHBondContact O-N 3.13Å; R447-M450 PolarHBondContact O-N 3.1Å; M450-K453 PolarHBondContact O-N 3.27Å; M450-K454 VanDerWaalsContact O-CB 3.27Å; M450-K454 WeakPolarHBondContact O-CB 3.47Å; M450-K454 PolarHBondContact O-N 3.01Å
451V91.1Very high87.3Confident101 Ų101112.7 Ų112.761%0.61255%0.548SS*.Hα-helixtrans-62.2-48.9174.6172.90000110.5R447 L448 K453 K454 A455R447-V451 WeakPolarHBondContact O-CG2 3.37Å; R447-V451 PolarHBondContact O-N 3.05Å; L448-V451 PolarHBondContact O-N 3.22Å; V451-K453 PolarHBondContact O-N 2.87Å; V451-K454 PolarHBondContact O-N 3.02Å; V451-A455 WeakPolarHBondContact O-CB 3.29Å; V451-A455 PolarHBondContact O-N 3.41Å
452K93.4Very high85.9Confident167 Ų167118.5 Ų118.573%0.72657%0.572SS**Hα-helixtrans-59.5-42.5177.9-169.1170.5-177.2174.40112.1L448 Q449 A455 A456L448-K452 VanDerWaalsContact O-CB 3.27Å; L448-K452 WeakPolarHBondContact O-CB 3.21Å; L448-K452 PolarHBondContact O-N 3.18Å; Q449-K452 PolarHBondContact O-N 3.44Å; K452-A455 PolarHBondContact O-N 2.98Å; K452-A456 WeakPolarHBondContact O-CB 3.27Å; K452-A456 PolarHBondContact O-N 3.26Å
453K93Very high85.9Confident147 Ų147119.6 Ų119.664%0.63957%0.574SS**Hα-helixtrans-64.9-41175.5-171.8172.9-177.41750112.4Q449 M450 V451 A456 Q457Q449-K453 VanDerWaalsContact O-CB 3.32Å; Q449-K453 WeakPolarHBondContact O-CB 3.43Å; Q449-K453 PolarHBondContact O-N 3.39Å; M450-K453 PolarHBondContact O-N 3.27Å; V451-K453 PolarHBondContact O-N 2.87Å; K453-A456 PolarHBondContact O-N 3.08Å; K453-Q457 PolarHBondContact O-N 2.86Å
454K89.2Confident85.8Confident149 Ų149124.4 Ų124.465%0.64860%0.597SS**Hα-helixtrans-70.7-35.2178.1-165.2171.4-173.6174.40112.2M450 V451 K458M450-K454 VanDerWaalsContact O-CB 3.27Å; M450-K454 WeakPolarHBondContact O-CB 3.47Å; M450-K454 PolarHBondContact O-N 3.01Å; V451-K454 PolarHBondContact O-N 3.02Å; K454-K458 PolarHBondContact O-N 3.22Å; K454-K458 VanDerWaalsContact O-N 3.1Å
455A87.7Confident85.7Confident49 Ų49130.5 Ų130.541%0.40562%0.624SS.*Hα-helixtrans-67.3-43.1171.900000111.8V451 K452 K458 K459V451-A455 WeakPolarHBondContact O-CB 3.29Å; V451-A455 PolarHBondContact O-N 3.41Å; K452-A455 PolarHBondContact O-N 2.98Å; A455-K458 PolarHBondContact O-N 3.14Å; A455-K459 PolarHBondContact O-N 3.4Å; A455-K459 VanDerWaalsContact O-N 3.08Å
456A86.9Confident85.4Confident58 Ų58132 Ų13248%0.47963%0.63SS.*Hα-helixtrans-60.7-46.9174.800000112K452 K453 K458 K459 L460K452-A456 WeakPolarHBondContact O-CB 3.27Å; K452-A456 PolarHBondContact O-N 3.26Å; K453-A456 PolarHBondContact O-N 3.08Å; A456-K458 VanDerWaalsContact C-N 3.29Å; A456-K458 PolarHBondContact O-N 3.1Å; A456-K459 PolarHBondContact O-N 3.31Å; A456-L460 PolarHBondContact O-N 3.12Å; A456-L460 VanDerWaalsContact O-N 3.13Å
457Q82.9Confident84.9Confident131 Ų131132.2 Ų132.261%0.61263%0.634SS**Hα-helixtrans-62.1-33.4175-76.1-169.5-6.900113.4K453 K459 L460 K461K453-Q457 PolarHBondContact O-N 2.86Å; Q457-K459 VanDerWaalsContact C-N 3.33Å; Q457-L460 PolarHBondContact O-N 3.32Å; Q457-K461 WeakPolarHBondContact O-CB 3.4Å
458K84.8Confident84.8Confident159 Ų159138.5 Ų138.569%0.69167%0.667SS**Hα-helixtrans-67.6-29.6172.4-85.4-171.1170.3-171.40113.4K454 A455 A456K454-K458 PolarHBondContact O-N 3.22Å; K454-K458 VanDerWaalsContact O-N 3.1Å; A455-K458 PolarHBondContact O-N 3.14Å; A456-K458 VanDerWaalsContact C-N 3.29Å; A456-K458 PolarHBondContact O-N 3.1Å
459K81.1Confident84.3Confident177 Ų177140.9 Ų140.977%0.7768%0.675SS**Hα-helixtrans-81.3-15.8175.6-73-170.2176.1-171.10114A455 A456 Q457A455-K459 PolarHBondContact O-N 3.4Å; A455-K459 VanDerWaalsContact O-N 3.08Å; A456-K459 PolarHBondContact O-N 3.31Å; Q457-K459 VanDerWaalsContact C-N 3.33Å
460L74.7Confident83.5Confident161 Ų161140.9 Ų140.984%0.84368%0.677SS**SBendtrans-99.15.3179.2-148.181.4000113.4A456 Q457A456-L460 PolarHBondContact O-N 3.12Å; A456-L460 VanDerWaalsContact O-N 3.13Å; Q457-L460 PolarHBondContact O-N 3.32Å
461K73Confident82.9Confident191 Ų191144.7 Ų144.783%0.8369%0.694SS**  trans-132.328.6-173.1-160.1174179.2173.40111.3Q457Q457-K461 WeakPolarHBondContact O-CB 3.4Å
462K57Low82.2Confident246 Ų246148.6 Ų148.6100%1.0770%0.701SS**  trans-161.60-173.7-169.4175.3-177-176.10108.7

Retrieved 462 of 462 residues in 53.4 ms (Link to these results)

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