A0A096MR10_PAPAN Loading...

BTB/POZ domain-containing protein 18

Specifically required during spermatogenesis to promote expression of piRNA precursors. The piRNA metabolic process mediates the repression of transposable elements during meiosis by forming complexes composed of piRNAs and Piwi proteins and governs the methylation and subsequent repression of transposons, which is essential for the germline integrity. Acts by facilitating transcription elongation at piRNA loci during pachytene.

AlphaFold DB , UniProt , Accession A0A096MR10, Species PAPAN (Papio anubis, Olive baboon), Gene BTBD18, Length 713 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
1M51.6Low77.1Confident244 Ų244145.9 Ų145.9100%1.20282%0.822SS**  0136.60-70.6174.1169.800107.3
2C50.7Low78.6Confident130 Ų130150.9 Ų150.988%0.87882%0.819SS**PPolyproline II helixtrans-77.8139.7175.9-59.10000109.8
3S66.4Low79.9Confident109 Ų109144.4 Ų144.476%0.76278%0.783SS**PPolyproline II helixtrans-65.4139.4172.2-167.80000109.8A5S3-A5 PolarHBondContact O-N 2.79Å
4P70.4Confident80.9Confident118 Ų118142.6 Ų142.677%0.76678%0.782SS**PPolyproline II helixtrans-61.7121.5171.326.7-33.6000109.2S6P4-S6 PolarHBondContact O-N 2.73Å
5A75Confident81.8Confident98 Ų98142.7 Ų142.781%0.8177%0.767SS**PPolyproline II helixtrans-65.2119178.100000109.7S3S3-A5 PolarHBondContact O-N 2.79Å
6S79.9Confident82.6Confident91 Ų91142.2 Ų142.264%0.63676%0.755SS**PPolyproline II helixtrans-59.2139.7171.252.30000110.1P4 K8P4-S6 PolarHBondContact O-N 2.73Å; S6-K8 PolarHBondContact O-N 3.43Å
7P81.3Confident83.1Confident128 Ų128141.1 Ų141.183%0.83175%0.749SS**PPolyproline II helixtrans-60.1123.5179.425.1-33.7000110.1
8K90.6Very high83.7Confident197 Ų197140.5 Ų140.586%0.85774%0.735SS**PPolyproline II helixtrans-88.7123.8179.1-63.9-174.8179.7-176.30109.6S6S6-K8 PolarHBondContact O-N 3.43Å
9I92.9Very high84.3Confident172 Ų172138.6 Ų138.688%0.88273%0.725SS**PPolyproline II helixtrans-76.8130.6169-58.7175.7000107.9
10L94.5Very high84.9Confident132 Ų132133.6 Ų133.669%0.69170%0.704SS**  trans-116.4122.3176.4178.165000109.6R12L10-R12 HydrophobicContact CD1-CG 4.5Å; L10-R12 HydrophobicContact CG-CG 4.44Å
11Y94.6Very high85.4Confident186 Ų186130 Ų13073%0.72968%0.683SS**  trans-106.9143.5168.3176.2-103.8000109.8N13Y11-N13 HydrophobicContact CE1-CB 3.98Å
12R95.8Very high87.5Confident206 Ų206123 Ų12378%0.77765%0.65SS**  trans-141.9129.4172.4-73.5-175.3171-176.8-3.2109.2L10L10-R12 HydrophobicContact CD1-CG 4.5Å; L10-R12 HydrophobicContact CG-CG 4.44Å
13N95.1Very high89.8Confident66 Ų66121.8 Ų121.835%0.35363%0.631SS.*  trans-109.8107.4168.7-179.3-15.1000108.5Y11 R15 F16Y11-N13 HydrophobicContact CE1-CB 3.98Å; N13-R15 VanDerWaalsContact C-N 3.27Å; N13-R15 PolarHBondContact O-N 3.43Å; N13-R15 PolarHBondContact OD1-N 2.73Å; N13-F16 HydrophobicContact CB-CB 4.05Å; N13-F16 PolarHBondContact O-N 3.29Å; N13-F16 PolarHBondContact OD1-N 3.17Å
14P93.9Very high91.3Very high120 Ų120118.7 Ų118.778%0.77961%0.606SS**THydrogen-bonded Turntrans-69.1-23.8-176.927.8-34000113.1
15R94.3Very high92.6Very high144 Ų144114.2 Ų114.254%0.54358%0.575SS.*THydrogen-bonded Turntrans-88.9-12.8-176.7-59.5-176-171.6154.40.7113.5N13 L17 R18 L19 E495N13-R15 VanDerWaalsContact C-N 3.27Å; N13-R15 PolarHBondContact O-N 3.43Å; N13-R15 PolarHBondContact OD1-N 2.73Å; R15-L17 VanDerWaalsContact C-N 3.31Å; R15-L17 PolarHBondContact O-N 3.05Å; R15-R18 PolarHBondContact O-N 3.23Å; R15-L19 WeakPolarHBondContact O-CG 3.08Å; R15-L19 PolarHBondContact O-N 3.01Å; R15-E495 IonicContact CZ-OE1 3.65Å; R15-E495 IonicContact NE-OE1 2.7Å; R15-E495 IonicContact NH2-OE1 3.2Å; R15-E495 PolarHBondContact NH2-OE1 3.25Å
16F93.9Very high93.7Very high134 Ų134115 Ų11559%0.58856%0.561SS**Hα-helixtrans-58.2-39.9-175.5-174-105000113.1N13 L19 A20N13-F16 HydrophobicContact CB-CB 4.05Å; N13-F16 PolarHBondContact O-N 3.29Å; N13-F16 PolarHBondContact OD1-N 3.17Å; F16-L19 PolarHBondContact O-N 2.73Å; F16-A20 WeakPolarHBondContact O-CB 3.49Å; F16-A20 PolarHBondContact O-N 2.97Å
17L92.6Very high94.6Very high123 Ų123112.6 Ų112.664%0.64454%0.54SS*.Hα-helixtrans-69.4-40.8178.4-61.8178.9000112.4R15 L19 A20 F21R15-L17 VanDerWaalsContact C-N 3.31Å; R15-L17 PolarHBondContact O-N 3.05Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L17-L19 PolarHBondContact O-N 3.05Å; L17-A20 PolarHBondContact O-N 2.69Å; L17-F21 WeakPolarHBondContact O-CD2 3.2Å; L17-F21 PolarHBondContact O-N 3.4Å
18R93.3Very high95.3Very high131 Ų131107 Ų10749%0.49450%0.503SS..Hα-helixtrans-60.6-44.6175-168.9-176.1-172.1-159.99110.9R15 A20 F21 L22 D499R15-R18 PolarHBondContact O-N 3.23Å; R18-A20 PolarHBondContact O-N 2.78Å; R18-F21 PolarHBondContact O-N 2.65Å; R18-L22 HydrophobicContact CG-CD1 4.36Å; R18-L22 WeakPolarHBondContact O-CG 3.31Å; R18-L22 PolarHBondContact O-N 2.86Å; R18-D499 IonicContact CZ-OD2 3.65Å; R18-D499 VanDerWaalsContact NH1-CG 3.3Å; R18-D499 IonicContact NH1-OD1 2.64Å; R18-D499 PolarHBondContact NH1-OD1 3.35Å; R18-D499 IonicContact NH1-OD2 3.87Å; R18-D499 PolarHBondContact NH1-OD2 2.92Å; R18-D499 IonicContact NH2-OD2 2.76Å; R18-D499 PolarHBondContact NH2-OD2 3.22Å
19L95.3Very high95.7Very high105 Ų105103.8 Ų103.855%0.5549%0.491SS..Hα-helixtrans-63.6-39.2176.8-66.7171.3000112.4R15 F16 L17 Q23R15-L19 WeakPolarHBondContact O-CG 3.08Å; R15-L19 PolarHBondContact O-N 3.01Å; F16-L19 PolarHBondContact O-N 2.73Å; L17-L19 VanDerWaalsContact C-N 3.35Å; L17-L19 PolarHBondContact O-N 3.05Å; L19-Q23 PolarHBondContact O-N 2.88Å; L19-Q23 VanDerWaalsContact O-N 3.1Å
20A95.9Very high95.9Very high37 Ų3798.2 Ų98.231%0.30647%0.467SS..Hα-helixtrans-64.4-43.4174.800000112.2F16 L17 R18 Q23 L24F16-A20 WeakPolarHBondContact O-CB 3.49Å; F16-A20 PolarHBondContact O-N 2.97Å; L17-A20 PolarHBondContact O-N 2.69Å; R18-A20 PolarHBondContact O-N 2.78Å; A20-Q23 PolarHBondContact O-N 2.79Å; A20-L24 WeakPolarHBondContact O-CG 3.31Å; A20-L24 PolarHBondContact O-N 3.16Å
21F95.9Very high96Very high59 Ų5995.3 Ų95.326%0.25945%0.452SS..Hα-helixtrans-65.8-39.9176.8-93.7-100.8000112.9L17 R18 Q23 L24 H25 I51 Y55L17-F21 WeakPolarHBondContact O-CD2 3.2Å; L17-F21 PolarHBondContact O-N 3.4Å; R18-F21 PolarHBondContact O-N 2.65Å; F21-Q23 VanDerWaalsContact C-N 3.3Å; F21-Q23 PolarHBondContact O-N 2.71Å; F21-L24 PolarHBondContact O-N 3.31Å; F21-H25 PolarHBondContact O-N 2.57Å; F21-I51 HydrophobicContact CE1-CD1 4.07Å; F21-I51 HydrophobicContact CZ-CD1 4.08Å; F21-Y55 HydrophobicContact CE1-CE2 4.08Å; F21-Y55 HydrophobicContact CZ-CE2 4.3Å
22L96.1Very high96.1Very high98 Ų9889.4 Ų89.451%0.51344%0.435SS..Hα-helixtrans-59.2-41172-71.6168.3000111.9R18 H25 H26R18-L22 HydrophobicContact CG-CD1 4.36Å; R18-L22 WeakPolarHBondContact O-CG 3.31Å; R18-L22 PolarHBondContact O-N 2.86Å; L22-H25 WeakPolarHBondContact O-CB 3.26Å; L22-H25 PolarHBondContact O-N 3.24Å; L22-H26 PolarHBondContact O-N 3.46Å; L22-H26 VanDerWaalsContact O-N 3.11Å
23Q97.8Very high96Very high103 Ų10387 Ų8748%0.48143%0.431SS..Hα-helixtrans-68.8-36176.9-172.958.475.800112.8L19 A20 F21 Q27L19-Q23 PolarHBondContact O-N 2.88Å; L19-Q23 VanDerWaalsContact O-N 3.1Å; A20-Q23 PolarHBondContact O-N 2.79Å; F21-Q23 VanDerWaalsContact C-N 3.3Å; F21-Q23 PolarHBondContact O-N 2.71Å; Q23-Q27 WeakPolarHBondContact O-CG 3.43Å; Q23-Q27 PolarHBondContact O-N 3.12Å
24L97.9Very high96.1Very high44 Ų4484.1 Ų84.123%0.2342%0.416CS..Hα-helixtrans-68.3-35.5174-73.2162.3000112A20 F21 Q27 Q28 I51 Y94A20-L24 WeakPolarHBondContact O-CG 3.31Å; A20-L24 PolarHBondContact O-N 3.16Å; F21-L24 PolarHBondContact O-N 3.31Å; L24-Q27 PolarHBondContact O-N 2.71Å; L24-Q28 WeakPolarHBondContact O-CB 3.41Å; L24-Q28 PolarHBondContact O-N 2.83Å; L24-I51 HydrophobicContact CD1-CD1 4.25Å; L24-Y94 HydrophobicContact CB-CD1 4.13Å; L24-Y94 HydrophobicContact CB-CE1 4.16Å
25H97.7Very high96.1Very high24 Ų2481.7 Ų81.711%0.11140%0.396CS..Hα-helixtrans-62.7-48.8172.8-165.7-175.1000110.9F21 L22 Q27 Q28 Q29 Y94 T95F21-H25 PolarHBondContact O-N 2.57Å; L22-H25 WeakPolarHBondContact O-CB 3.26Å; L22-H25 PolarHBondContact O-N 3.24Å; H25-Q27 VanDerWaalsContact C-N 3.3Å; H25-Q27 PolarHBondContact O-N 3.29Å; H25-Q28 WeakPolarHBondContact O-CB 3.23Å; H25-Q28 PolarHBondContact O-N 2.85Å; H25-Q28 VanDerWaalsContact O-N 3.09Å; H25-Q29 PolarHBondContact CD2-NE2 3.11Å; H25-Q29 PolarHBondContact CE1-NE2 3.47Å; H25-Q29 VanDerWaalsContact CE1-NE2 3.34Å; H25-Q29 PolarHBondContact NE2-NE2 2.9Å; H25-Q29 WeakPolarHBondContact O-CG 3.22Å; H25-Q29 PolarHBondContact O-N 3.48Å; H25-Y94 HydrophobicContact CB-CD1 4.39Å; H25-Y94 HydrophobicContact CB-CG 4.29Å; H25-T95 VanDerWaalsContact CE1-CG2 3.4Å; H25-T95 WeakPolarHBondContact CE1-CG2 3.35Å
26H97.9Very high96.2Very high115 Ų11574.9 Ų74.953%0.53237%0.371SS..Hα-helixtrans-59.2-40.3175.3177.8-71.5000112.1L22 Q28 Q29 S30L22-H26 PolarHBondContact O-N 3.46Å; L22-H26 VanDerWaalsContact O-N 3.11Å; H26-Q28 VanDerWaalsContact C-N 3.34Å; H26-Q29 PolarHBondContact O-N 3.07Å; H26-S30 PolarHBondContact O-N 3.34Å; H26-S30 VanDerWaalsContact O-N 3.14Å; H26-S30 PolarHBondContact O-OG 2.91Å
27Q98.2Very high96.4Very high41 Ų4170.7 Ų70.719%0.19235%0.354CS..Hα-helixtrans-61.9-42.1174.5-76.2170.4-1.100111.5Q23 L24 H25 S30 D31 V32 F33Q23-Q27 WeakPolarHBondContact O-CG 3.43Å; Q23-Q27 PolarHBondContact O-N 3.12Å; L24-Q27 PolarHBondContact O-N 2.71Å; H25-Q27 VanDerWaalsContact C-N 3.3Å; H25-Q27 PolarHBondContact O-N 3.29Å; Q27-S30 PolarHBondContact O-N 2.81Å; Q27-S30 PolarHBondContact O-OG 3.11Å; Q27-D31 PolarHBondContact O-N 3.25Å; Q27-D31 VanDerWaalsContact O-N 3.16Å; Q27-V32 HydrophobicContact CG-CG1 4.48Å; Q27-V32 PolarHBondContact O-N 3.08Å; Q27-F33 HydrophobicContact CG-CD2 4.36Å
28Q97.9Very high96.6Very high9 Ų964.8 Ų64.84%0.04232%0.323CS..Hα-helixtrans-63.7-46.9175.8-179.3-85.1-16.700112.7L24 H25 H26 S30 D31 P46 Y94L24-Q28 WeakPolarHBondContact O-CB 3.41Å; L24-Q28 PolarHBondContact O-N 2.83Å; H25-Q28 WeakPolarHBondContact O-CB 3.23Å; H25-Q28 PolarHBondContact O-N 2.85Å; H25-Q28 VanDerWaalsContact O-N 3.09Å; H26-Q28 VanDerWaalsContact C-N 3.34Å; Q28-S30 PolarHBondContact O-N 3.45Å; Q28-D31 PolarHBondContact O-N 2.69Å; Q28-D31 VanDerWaalsContact O-N 3.1Å; Q28-P46 WeakPolarHBondContact CG-O 3.27Å; Q28-P46 PolarHBondContact NE2-O 3.15Å; Q28-P46 WeakPolarHBondContact O-CG 3.21Å; Q28-Y94 HydrophobicContact CB-CE1 4.11Å; Q28-Y94 HydrophobicContact CB-CE2 4.04Å; Q28-Y94 HydrophobicContact CG-CD2 4.39Å; Q28-Y94 HydrophobicContact CG-CE2 3.69Å
29Q97.4Very high96.8Very high130 Ų13061.7 Ų61.761%0.60732%0.315SS*.Hα-helixtrans-62.4-26.9178.4-70.3179.7-5.700113.1H25 H26H25-Q29 PolarHBondContact CD2-NE2 3.11Å; H25-Q29 PolarHBondContact CE1-NE2 3.47Å; H25-Q29 VanDerWaalsContact CE1-NE2 3.34Å; H25-Q29 PolarHBondContact NE2-NE2 2.9Å; H25-Q29 WeakPolarHBondContact O-CG 3.22Å; H25-Q29 PolarHBondContact O-N 3.48Å; H26-Q29 PolarHBondContact O-N 3.07Å
30S97.4Very high96.9Very high56 Ų5656.9 Ų56.939%0.39229%0.29SS..THydrogen-bonded Turntrans-96.5517852.80000114.4H26 Q27 Q28 V32H26-S30 PolarHBondContact O-N 3.34Å; H26-S30 VanDerWaalsContact O-N 3.14Å; H26-S30 PolarHBondContact O-OG 2.91Å; Q27-S30 PolarHBondContact O-N 2.81Å; Q27-S30 PolarHBondContact O-OG 3.11Å; Q28-S30 PolarHBondContact O-N 3.45Å; S30-V32 PolarHBondContact O-N 3.47Å; S30-V32 VanDerWaalsContact O-N 3.15Å; S30-V32 WeakPolarHBondContact OG-CG2 3.48Å
31D96.8Very high96.8Very high70 Ų7061.5 Ų61.537%0.37431%0.305SS..THydrogen-bonded Turntrans54.822.3-173.8-16633.8000114.6Q27 Q28 C34 P46 K73Q27-D31 PolarHBondContact O-N 3.25Å; Q27-D31 VanDerWaalsContact O-N 3.16Å; Q28-D31 PolarHBondContact O-N 2.69Å; Q28-D31 VanDerWaalsContact O-N 3.1Å; D31-C34 WeakPolarHBondContact OD1-CB 3.46Å; D31-P46 HydrophobicContact CB-CB 4.19Å; D31-P46 HydrophobicContact CB-CG 4.18Å; D31-P46 WeakPolarHBondContact OD1-CB 3.48Å; D31-K73 PolarHBondContact O-NZ 2.85Å; D31-K73 IonicContact OD1-NZ 3.18Å; D31-K73 PolarHBondContact OD1-NZ 3.2Å; D31-K73 IonicContact OD2-NZ 3.18Å; D31-K73 PolarHBondContact OD2-NZ 2.88Å
32V96.3Very high96.7Very high62 Ų6261.4 Ų61.438%0.37632%0.321SS..  trans-85.2132.7179.5176.10000109.4Q27 S30 C34 H48Q27-V32 HydrophobicContact CG-CG1 4.48Å; Q27-V32 PolarHBondContact O-N 3.08Å; S30-V32 PolarHBondContact O-N 3.47Å; S30-V32 VanDerWaalsContact O-N 3.15Å; S30-V32 WeakPolarHBondContact OG-CG2 3.48Å; V32-C34 PolarHBondContact O-N 3.17Å; V32-H48 PolarHBondContact O-NE2 2.88Å
33F95.4Very high96.7Very high157 Ų15761 Ų6169%0.68932%0.317SS*.SBendtrans56.6-0.9-176.1-52.2-50.1000117Q27 D35 H48Q27-F33 HydrophobicContact CG-CD2 4.36Å; F33-D35 PolarHBondContact O-N 2.92Å; F33-H48 PolarHBondContact O-CD2 3.02Å
34C96.1Very high96.6Very high5 Ų558.5 Ų58.53%0.03431%0.314CS..  trans-61.3125.4172.8-71.70000111.2D31 V32 P46 A47 K73D31-C34 WeakPolarHBondContact OD1-CB 3.46Å; V32-C34 PolarHBondContact O-N 3.17Å; C34-P46 HydrophobicContact CB-CB 4.01Å; C34-A47 WeakPolarHBondContact CA-O 3.47Å; C34-A47 VanDerWaalsContact CB-O 3.29Å; C34-A47 WeakPolarHBondContact CB-O 3.45Å; C34-K73 VanDerWaalsContact O-CD 3.27Å; C34-K73 WeakPolarHBondContact O-CD 3.38Å; C34-K73 WeakPolarHBondContact O-CE 3.47Å; C34-K73 PolarHBondContact O-NZ 2.9Å
35D94.9Very high96.6Very high69 Ų6956.7 Ų56.737%0.36930%0.304SS..  trans-107.4-4.4-176.357.32.4000112.5F33 A47 H48 C49 K73 V74F33-D35 PolarHBondContact O-N 2.92Å; D35-A47 PolarHBondContact N-O 2.92Å; D35-H48 WeakPolarHBondContact OD1-CA 3.45Å; D35-C49 PolarHBondContact OD1-N 2.9Å; D35-C49 PolarHBondContact OD1-SG 3.09Å; D35-C49 WeakPolarHBondContact OD2-CB 3.46Å; D35-K73 CarbonylContact O-C 3.54Å; D35-K73 WeakPolarHBondContact O-CA 3.21Å; D35-V74 PolarHBondContact O-N 3.08Å
36V96.3Very high96.6Very high0 Ų056.8 Ų56.80%031%0.307CS..EExtended strand (participates in β ladder)trans-135.4145.3175.755.40000112.4L38 A47 L52 L63 V74 L76V36-L38 HydrophobicContact CG2-CD2 3.91Å; V36-A47 HydrophobicContact CG1-CB 4.1Å; V36-A47 VanDerWaalsContact CG1-O 3.24Å; V36-A47 WeakPolarHBondContact CG1-O 3.33Å; V36-A47 PolarHBondContact N-O 3.16Å; V36-A47 PolarHBondContact O-N 3.21Å; V36-L52 HydrophobicContact CG1-CD1 3.77Å; V36-L63 HydrophobicContact CB-CD2 4.49Å; V36-L63 HydrophobicContact CG2-CD2 4.21Å; V36-V74 CarbonylContact C-O 3.54Å; V36-V74 WeakPolarHBondContact CA-O 3.46Å; V36-V74 HydrophobicContact CB-CB 4.31Å; V36-V74 HydrophobicContact CG2-CB 4.24Å; V36-L76 HydrophobicContact CG2-CD1 3.98Å; V36-L76 HydrophobicContact CG2-CG 3.83Å
37L96.6Very high96.6Very high46 Ų4651.3 Ų51.324%0.24128%0.282CS..EExtended strand (participates in β ladder)trans-115.5122.2170.1-60177.3000109P46 K73 V74 V75 L76L37-P46 HydrophobicContact CD2-CB 4Å; L37-K73 HydrophobicContact CD1-CB 4.49Å; L37-K73 HydrophobicContact CD1-CD 4.43Å; L37-K73 HydrophobicContact CD2-CD 4.03Å; L37-K73 HydrophobicContact CG-CB 4.18Å; L37-K73 HydrophobicContact CG-CD 4.06Å; L37-V74 PolarHBondContact N-O 3.49Å; L37-V75 WeakPolarHBondContact O-CA 3.49Å; L37-L76 PolarHBondContact O-N 3.33Å
38L97.6Very high96.6Very high0 Ų049.8 Ų49.80%028%0.275CS..EExtended strand (participates in β ladder)trans-94116.8174.7-55.8-174.4000109.2V36 A44 V45 L52 F59 L76 L78 L86 V90V36-L38 HydrophobicContact CG2-CD2 3.91Å; L38-A44 CarbonylContact O-C 3.49Å; L38-A44 WeakPolarHBondContact O-CA 3.39Å; L38-V45 PolarHBondContact N-O 2.81Å; L38-V45 PolarHBondContact O-N 2.89Å; L38-L52 HydrophobicContact CD1-CD1 3.91Å; L38-L52 HydrophobicContact CD1-CD2 4.18Å; L38-L52 HydrophobicContact CD2-CD1 3.75Å; L38-L52 HydrophobicContact CG-CD1 4.14Å; L38-F59 HydrophobicContact CD1-CE1 4.22Å; L38-F59 HydrophobicContact CD1-CZ 3.85Å; L38-F59 HydrophobicContact CD2-CD1 4.41Å; L38-F59 HydrophobicContact CD2-CE1 3.74Å; L38-F59 HydrophobicContact CD2-CZ 4.23Å; L38-L76 HydrophobicContact CD2-CB 3.77Å; L38-L76 HydrophobicContact CD2-CD1 3.72Å; L38-L76 HydrophobicContact CD2-CG 4.09Å; L38-L78 HydrophobicContact CB-CD1 4.11Å; L38-L78 HydrophobicContact CD1-CD1 4.42Å; L38-L78 HydrophobicContact CD2-CD1 4.39Å; L38-L86 HydrophobicContact CB-CD1 4.4Å; L38-L86 HydrophobicContact CB-CD2 3.93Å; L38-L86 HydrophobicContact CD1-CD1 4.06Å; L38-V90 HydrophobicContact CD1-CG2 3.82Å
39Q97Very high96.5Very high66 Ų6650.5 Ų50.531%0.30828%0.28SS..EExtended strand (participates in β ladder)trans-104.7127.6-174.8-163.3177.416.200111.8G42 E43 L76 L78Q39-G42 PolarHBondContact NE2-O 2.61Å; Q39-E43 CarbonylContact C-O 3.58Å; Q39-E43 VanDerWaalsContact CA-O 3.31Å; Q39-E43 WeakPolarHBondContact CA-O 3.32Å; Q39-E43 VanDerWaalsContact CG-O 3.26Å; Q39-E43 WeakPolarHBondContact CG-O 3.49Å; Q39-L76 PolarHBondContact N-O 3.29Å; Q39-L78 PolarHBondContact O-N 3.36Å
40A96.9Very high96.4Very high4 Ų448.4 Ų48.43%0.03328%0.279CS..EExtended strand (participates in β ladder)trans-146140.5175.600000110.3G42 E43 I83 L86A40-G42 PolarHBondContact O-N 2.95Å; A40-E43 PolarHBondContact N-O 2.67Å; A40-E43 PolarHBondContact O-N 2.83Å; A40-E43 VanDerWaalsContact O-O 3.06Å; A40-I83 HydrophobicContact CB-CD1 4.38Å; A40-L86 HydrophobicContact CB-CB 4.45Å; A40-L86 HydrophobicContact CB-CD2 3.63Å
41E95.3Very high96.4Very high133 Ų13346.4 Ų46.462%0.62126%0.264SS*.THydrogen-bonded Turntrans5221.7-176.9-65178.9139.200115E43 K82 I83E41-E43 VanDerWaalsContact C-N 3.33Å; E41-K82 VanDerWaalsContact OE2-CA 3.23Å; E41-K82 WeakPolarHBondContact OE2-CA 3.35Å; E41-I83 PolarHBondContact OE2-N 3.38Å
42G92.6Very high96.4Very high58 Ų5843 Ų4360%0.59825%0.246SC*.THydrogen-bonded Turntrans92.4-24.6-17700000114.2Q39 A40Q39-G42 PolarHBondContact NE2-O 2.61Å; A40-G42 PolarHBondContact O-N 2.95Å
43E96.9Very high96.4Very high90 Ų9042 Ų4242%0.42124%0.241SC..EExtended strand (participates in β ladder)trans-77158172.8-73.4-173.4-123.400112Q39 A40 E41 I83 R87Q39-E43 CarbonylContact C-O 3.58Å; Q39-E43 VanDerWaalsContact CA-O 3.31Å; Q39-E43 WeakPolarHBondContact CA-O 3.32Å; Q39-E43 VanDerWaalsContact CG-O 3.26Å; Q39-E43 WeakPolarHBondContact CG-O 3.49Å; A40-E43 PolarHBondContact N-O 2.67Å; A40-E43 PolarHBondContact O-N 2.83Å; A40-E43 VanDerWaalsContact O-O 3.06Å; E41-E43 VanDerWaalsContact C-N 3.33Å; E43-I83 HydrophobicContact CB-CB 4.41Å; E43-I83 HydrophobicContact CB-CD1 3.67Å; E43-I83 HydrophobicContact CB-CG1 3.68Å; E43-I83 HydrophobicContact CG-CG1 4.38Å; E43-R87 IonicContact OE2-CZ 2.7Å; E43-R87 IonicContact OE2-NH1 2.61Å; E43-R87 PolarHBondContact OE2-NH1 3.25Å; E43-R87 IonicContact OE2-NH2 2.73Å; E43-R87 PolarHBondContact OE2-NH2 3.47Å
44A96.3Very high96.4Very high50 Ų5038 Ų3841%0.41324%0.237SC..EExtended strand (participates in β ladder)trans-124142.4178.300000111.9L38L38-A44 CarbonylContact O-C 3.49Å; L38-A44 WeakPolarHBondContact O-CA 3.39Å
45V97.9Very high96.4Very high5 Ų541.8 Ų41.83%0.0325%0.251CS..EExtended strand (participates in β ladder)trans-115.8122.3173.9-172.90000108.6L38 I83 L86 R87 V90L38-V45 PolarHBondContact N-O 2.81Å; L38-V45 PolarHBondContact O-N 2.89Å; V45-I83 HydrophobicContact CG2-CD1 3.61Å; V45-L86 HydrophobicContact CG2-CD2 4.04Å; V45-L86 HydrophobicContact CG2-CG 4.18Å; V45-R87 HydrophobicContact CG2-CG 3.85Å; V45-V90 HydrophobicContact CG1-CB 4.22Å; V45-V90 HydrophobicContact CG1-CG1 4.03Å; V45-V90 HydrophobicContact CG1-CG2 4.09Å
46P97.6Very high96.5Very high27 Ų2738.6 Ų38.618%0.17523%0.234CC..EExtended strand (participates in β ladder)trans-73.8149.7175.632.7-36.3000111.6Q28 D31 C34 L37Q28-P46 WeakPolarHBondContact CG-O 3.27Å; Q28-P46 PolarHBondContact NE2-O 3.15Å; Q28-P46 WeakPolarHBondContact O-CG 3.21Å; D31-P46 HydrophobicContact CB-CB 4.19Å; D31-P46 HydrophobicContact CB-CG 4.18Å; D31-P46 WeakPolarHBondContact OD1-CB 3.48Å; C34-P46 HydrophobicContact CB-CB 4.01Å; L37-P46 HydrophobicContact CD2-CB 4Å
47A98Very high96.5Very high0 Ų041.2 Ų41.20%025%0.251CS..EExtended strand (participates in β ladder)trans-158.7175174.600000112.1C34 D35 V36 L52C34-A47 WeakPolarHBondContact CA-O 3.47Å; C34-A47 VanDerWaalsContact CB-O 3.29Å; C34-A47 WeakPolarHBondContact CB-O 3.45Å; D35-A47 PolarHBondContact N-O 2.92Å; V36-A47 HydrophobicContact CG1-CB 4.1Å; V36-A47 VanDerWaalsContact CG1-O 3.24Å; V36-A47 WeakPolarHBondContact CG1-O 3.33Å; V36-A47 PolarHBondContact N-O 3.16Å; V36-A47 PolarHBondContact O-N 3.21Å; A47-L52 HydrophobicContact CB-CD1 4.08Å; A47-L52 HydrophobicContact CB-CD2 4.09Å; A47-L52 HydrophobicContact CB-CG 4.12Å
48H97.3Very high96.5Very high9 Ų941.4 Ų41.44%0.04225%0.25CS..  trans-104.5127.6173.7-54.294.7000110.7V32 F33 D35 C50 I51 L52 Y94V32-H48 PolarHBondContact O-NE2 2.88Å; F33-H48 PolarHBondContact O-CD2 3.02Å; D35-H48 WeakPolarHBondContact OD1-CA 3.45Å; H48-C50 VanDerWaalsContact C-N 3.25Å; H48-C50 PolarHBondContact O-N 3.09Å; H48-I51 HydrophobicContact CB-CB 4.48Å; H48-I51 HydrophobicContact CB-CG1 4.13Å; H48-I51 PolarHBondContact O-N 3.1Å; H48-I51 VanDerWaalsContact O-N 3.09Å; H48-L52 PolarHBondContact O-N 3.35Å; H48-L52 VanDerWaalsContact O-N 3.14Å; H48-Y94 PolarHBondContact N-OH 2.88Å; H48-Y94 VanDerWaalsContact N-OH 3.11Å; H48-Y94 AromaticContact ND1-CE1 3.73Å; H48-Y94 AromaticContact ND1-CZ 3.74Å; H48-Y94 PolarHBondContact ND1-OH 3.1Å
49C95.9Very high96.5Very high24 Ų2441.6 Ų41.616%0.16225%0.251CS..Hα-helixtrans-54.6-40.7-179.4-72.30000112.3D35 I51 L52 S53 L63D35-C49 PolarHBondContact OD1-N 2.9Å; D35-C49 PolarHBondContact OD1-SG 3.09Å; D35-C49 WeakPolarHBondContact OD2-CB 3.46Å; C49-I51 VanDerWaalsContact C-N 3.33Å; C49-I51 PolarHBondContact O-N 3.22Å; C49-L52 PolarHBondContact O-N 3.14Å; C49-S53 WeakPolarHBondContact O-CB 2.99Å; C49-S53 PolarHBondContact O-N 3.48Å; C49-S53 PolarHBondContact O-OG 2.89Å; C49-S53 VanDerWaalsContact O-OG 3.12Å; C49-L63 HydrophobicContact CB-CD1 3.84Å; C49-L63 VanDerWaalsContact SG-CD2 3.6Å
50C96Very high96.4Very high86 Ų8640.3 Ų40.358%0.58125%0.248SC*.Hα-helixtrans-63.2-35.4179.957.70000113.3H48 A54H48-C50 VanDerWaalsContact C-N 3.25Å; H48-C50 PolarHBondContact O-N 3.09Å; C50-A54 VanDerWaalsContact O-CB 3.29Å; C50-A54 WeakPolarHBondContact O-CB 3.43Å; C50-A54 PolarHBondContact O-N 2.92Å
51I97.1Very high96.3Very high13 Ų1344.2 Ų44.27%0.06727%0.265CS..Hα-helixtrans-74.5-46.6176.6-60.2-59.6000109.9F21 L24 H48 C49 S53 A54 Y55 L93 Y94F21-I51 HydrophobicContact CE1-CD1 4.07Å; F21-I51 HydrophobicContact CZ-CD1 4.08Å; L24-I51 HydrophobicContact CD1-CD1 4.25Å; H48-I51 HydrophobicContact CB-CB 4.48Å; H48-I51 HydrophobicContact CB-CG1 4.13Å; H48-I51 PolarHBondContact O-N 3.1Å; H48-I51 VanDerWaalsContact O-N 3.09Å; C49-I51 VanDerWaalsContact C-N 3.33Å; C49-I51 PolarHBondContact O-N 3.22Å; I51-S53 PolarHBondContact O-N 3.35Å; I51-A54 PolarHBondContact O-N 2.82Å; I51-Y55 HydrophobicContact CG2-CD2 4.24Å; I51-Y55 HydrophobicContact CG2-CE2 4.32Å; I51-Y55 WeakPolarHBondContact O-CD2 3.29Å; I51-Y55 PolarHBondContact O-N 2.9Å; I51-L93 HydrophobicContact CG2-CB 4.2Å; I51-Y94 HydrophobicContact CB-CE1 4.3Å; I51-Y94 HydrophobicContact CG1-CE1 3.91Å; I51-Y94 HydrophobicContact CG2-CD1 4.46Å; I51-Y94 HydrophobicContact CG2-CE1 4.06Å; I51-Y94 HydrophobicContact CG2-CE2 4.4Å
52L97Very high96.3Very high0 Ų040.6 Ų40.60%025%0.246CC..Hα-helixtrans-58.2-49.2178.5-62.9-171.2000112.1V36 L38 A47 H48 C49 A54 Y55 S56 F59 L63 L93V36-L52 HydrophobicContact CG1-CD1 3.77Å; L38-L52 HydrophobicContact CD1-CD1 3.91Å; L38-L52 HydrophobicContact CD1-CD2 4.18Å; L38-L52 HydrophobicContact CD2-CD1 3.75Å; L38-L52 HydrophobicContact CG-CD1 4.14Å; A47-L52 HydrophobicContact CB-CD1 4.08Å; A47-L52 HydrophobicContact CB-CD2 4.09Å; A47-L52 HydrophobicContact CB-CG 4.12Å; H48-L52 PolarHBondContact O-N 3.35Å; H48-L52 VanDerWaalsContact O-N 3.14Å; C49-L52 PolarHBondContact O-N 3.14Å; L52-A54 VanDerWaalsContact C-N 3.3Å; L52-A54 PolarHBondContact O-N 2.93Å; L52-Y55 PolarHBondContact O-N 3.16Å; L52-S56 WeakPolarHBondContact O-CB 3.45Å; L52-S56 PolarHBondContact O-N 2.84Å; L52-F59 HydrophobicContact CB-CB 3.72Å; L52-F59 HydrophobicContact CB-CD2 3.74Å; L52-F59 HydrophobicContact CB-CG 3.81Å; L52-F59 HydrophobicContact CD1-CD1 4.19Å; L52-F59 HydrophobicContact CD1-CD2 4.26Å; L52-F59 HydrophobicContact CD1-CE1 4.41Å; L52-F59 HydrophobicContact CD1-CE2 4.49Å; L52-F59 HydrophobicContact CD1-CG 4.13Å; L52-F59 HydrophobicContact CD2-CD2 4.1Å; L52-F59 HydrophobicContact CD2-CE2 4.1Å; L52-F59 HydrophobicContact CG-CD2 4.25Å; L52-F59 HydrophobicContact CG-CG 4.46Å; L52-L63 HydrophobicContact CB-CD1 4.48Å; L52-L93 HydrophobicContact CD2-CD1 3.68Å
53S96.3Very high96.3Very high40 Ų4039 Ų3928%0.2822%0.223SC..Hα-helixtrans-67.4-25.7179.5-62.10000113.9C49 I51 T60C49-S53 WeakPolarHBondContact O-CB 2.99Å; C49-S53 PolarHBondContact O-N 3.48Å; C49-S53 PolarHBondContact O-OG 2.89Å; C49-S53 VanDerWaalsContact O-OG 3.12Å; I51-S53 PolarHBondContact O-N 3.35Å; S53-T60 VanDerWaalsContact CA-OG1 3.3Å; S53-T60 WeakPolarHBondContact CA-OG1 3.44Å; S53-T60 VanDerWaalsContact CB-OG1 3.27Å; S53-T60 WeakPolarHBondContact CB-OG1 2.99Å; S53-T60 PolarHBondContact O-OG1 3.29Å; S53-T60 VanDerWaalsContact O-OG1 3.12Å
54A95.9Very high96Very high72 Ų7241.9 Ų41.960%0.59524%0.237SC*.Hα-helixtrans-71-29.6177.400000113.1C50 I51 L52C50-A54 VanDerWaalsContact O-CB 3.29Å; C50-A54 WeakPolarHBondContact O-CB 3.43Å; C50-A54 PolarHBondContact O-N 2.92Å; I51-A54 PolarHBondContact O-N 2.82Å; L52-A54 VanDerWaalsContact C-N 3.3Å; L52-A54 PolarHBondContact O-N 2.93Å
55Y95.7Very high95.7Very high86 Ų8648 Ų4834%0.33725%0.249SC..Hα-helixtrans-109.6-12-176.7-66.6-76.1000114.4F21 I51 L52 L93 S118F21-Y55 HydrophobicContact CE1-CE2 4.08Å; F21-Y55 HydrophobicContact CZ-CE2 4.3Å; I51-Y55 HydrophobicContact CG2-CD2 4.24Å; I51-Y55 HydrophobicContact CG2-CE2 4.32Å; I51-Y55 WeakPolarHBondContact O-CD2 3.29Å; I51-Y55 PolarHBondContact O-N 2.9Å; L52-Y55 PolarHBondContact O-N 3.16Å; Y55-L93 VanDerWaalsContact CB-CD2 3.45Å; Y55-L93 HydrophobicContact CD2-CD2 4.07Å; Y55-L93 HydrophobicContact CG-CD2 3.79Å; Y55-S118 PolarHBondContact O-N 3.31Å; Y55-S118 PolarHBondContact O-OG 3.32Å; Y55-S118 VanDerWaalsContact O-OG 3.05Å
56S97.2Very high95.1Very high1 Ų151 Ų511%0.00726%0.263CS..  trans-139.4113.8-176.7170.70000113L52 F58 F59 T60 L115L52-S56 WeakPolarHBondContact O-CB 3.45Å; L52-S56 PolarHBondContact O-N 2.84Å; S56-F58 PolarHBondContact O-N 3.33Å; S56-F58 WeakPolarHBondContact OG-CB 3.21Å; S56-F58 PolarHBondContact OG-N 3.38Å; S56-F59 PolarHBondContact O-N 3.27Å; S56-F59 PolarHBondContact OG-N 2.96Å; S56-T60 PolarHBondContact O-N 3.32Å; S56-T60 PolarHBondContact O-OG1 2.96Å; S56-L115 WeakPolarHBondContact CB-O 3.44Å; S56-L115 PolarHBondContact OG-O 3.24Å
57P96.4Very high93.6Very high56 Ų5660.6 Ų60.636%0.36430%0.296SS..Hα-helixtrans-61.1-25.1167.8-23.735.3000113.5E61 R116P57-E61 WeakPolarHBondContact O-CG 3.49Å; P57-E61 PolarHBondContact O-N 3.34Å; P57-R116 VanDerWaalsContact CD-O 3.28Å; P57-R116 WeakPolarHBondContact CD-O 3.44Å
58F96.6Very high92.3Very high50 Ų5064.4 Ų64.422%0.21932%0.32CS..Hα-helixtrans-65.2-45.4173.8168.8-87.9000111.4S56 R62 L78 L115 R116S56-F58 PolarHBondContact O-N 3.33Å; S56-F58 WeakPolarHBondContact OG-CB 3.21Å; S56-F58 PolarHBondContact OG-N 3.38Å; F58-R62 PolarHBondContact O-N 3.48Å; F58-R62 VanDerWaalsContact O-N 3.11Å; F58-L78 HydrophobicContact CE1-CD2 3.83Å; F58-L78 HydrophobicContact CZ-CD2 4.1Å; F58-L115 WeakPolarHBondContact CB-O 3.44Å; F58-L115 HydrophobicContact CD1-CD2 3.65Å; F58-L115 HydrophobicContact CE1-CD2 3.44Å; F58-L115 VanDerWaalsContact CE1-CD2 3.44Å; F58-L115 HydrophobicContact CG-CD2 4.47Å; F58-L115 HydrophobicContact CZ-CD2 4.09Å; F58-R116 HydrophobicContact CB-CB 4.27Å
59F96.3Very high91.2Very high4 Ų466.8 Ų66.82%0.01834%0.342CS..Hα-helixtrans-67.2-39.8177.2-72.4-52.3000111.4L38 L52 S56 E61 R62 L63 L76 L78 L115L38-F59 HydrophobicContact CD1-CE1 4.22Å; L38-F59 HydrophobicContact CD1-CZ 3.85Å; L38-F59 HydrophobicContact CD2-CD1 4.41Å; L38-F59 HydrophobicContact CD2-CE1 3.74Å; L38-F59 HydrophobicContact CD2-CZ 4.23Å; L52-F59 HydrophobicContact CB-CB 3.72Å; L52-F59 HydrophobicContact CB-CD2 3.74Å; L52-F59 HydrophobicContact CB-CG 3.81Å; L52-F59 HydrophobicContact CD1-CD1 4.19Å; L52-F59 HydrophobicContact CD1-CD2 4.26Å; L52-F59 HydrophobicContact CD1-CE1 4.41Å; L52-F59 HydrophobicContact CD1-CE2 4.49Å; L52-F59 HydrophobicContact CD1-CG 4.13Å; L52-F59 HydrophobicContact CD2-CD2 4.1Å; L52-F59 HydrophobicContact CD2-CE2 4.1Å; L52-F59 HydrophobicContact CG-CD2 4.25Å; L52-F59 HydrophobicContact CG-CG 4.46Å; S56-F59 PolarHBondContact O-N 3.27Å; S56-F59 PolarHBondContact OG-N 2.96Å; F59-E61 PolarHBondContact O-N 3.45Å; F59-R62 PolarHBondContact O-N 3.15Å; F59-L63 HydrophobicContact CB-CD1 4.28Å; F59-L63 VanDerWaalsContact O-CB 3.24Å; F59-L63 WeakPolarHBondContact O-CB 3.47Å; F59-L63 WeakPolarHBondContact O-CD1 3.44Å; F59-L63 WeakPolarHBondContact O-CG 3.5Å; F59-L63 PolarHBondContact O-N 3.25Å; F59-L76 HydrophobicContact CD1-CD1 3.72Å; F59-L76 HydrophobicContact CE1-CD1 4.07Å; F59-L78 HydrophobicContact CE1-CD1 4.08Å; F59-L78 HydrophobicContact CE1-CD2 4.15Å; F59-L78 HydrophobicContact CZ-CD1 4.05Å; F59-L115 HydrophobicContact CE1-CD2 4.34Å; F59-L115 HydrophobicContact CE2-CD1 4.33Å; F59-L115 HydrophobicContact CZ-CD1 3.99Å; F59-L115 HydrophobicContact CZ-CD2 3.99Å; F59-L115 HydrophobicContact CZ-CG 4.46Å
60T95.6Very high90.2Very high39 Ų3975.3 Ų75.324%0.23938%0.379CS..Hα-helixtrans-53.1-56.5172.1-49.80000111.9S53 S56 R62 L63 E64S53-T60 VanDerWaalsContact CA-OG1 3.3Å; S53-T60 WeakPolarHBondContact CA-OG1 3.44Å; S53-T60 VanDerWaalsContact CB-OG1 3.27Å; S53-T60 WeakPolarHBondContact CB-OG1 2.99Å; S53-T60 PolarHBondContact O-OG1 3.29Å; S53-T60 VanDerWaalsContact O-OG1 3.12Å; S56-T60 PolarHBondContact O-N 3.32Å; S56-T60 PolarHBondContact O-OG1 2.96Å; T60-R62 VanDerWaalsContact C-N 3.28Å; T60-R62 PolarHBondContact O-N 2.95Å; T60-L63 PolarHBondContact O-N 3.48Å; T60-E64 HydrophobicContact CG2-CG 4.46Å; T60-E64 WeakPolarHBondContact O-CB 3.37Å; T60-E64 WeakPolarHBondContact O-CG 3.4Å; T60-E64 PolarHBondContact O-N 3.06Å
61E95.4Very high89.2Confident86 Ų8675.3 Ų75.340%0.40239%0.394SS..Hα-helixtrans-63.1-27.5-178.7-72.8169.7-150.700114.4P57 F59 R116P57-E61 WeakPolarHBondContact O-CG 3.49Å; P57-E61 PolarHBondContact O-N 3.34Å; F59-E61 PolarHBondContact O-N 3.45Å; E61-R116 IonicContact OE1-CZ 2.65Å; E61-R116 IonicContact OE1-NH1 2.61Å; E61-R116 PolarHBondContact OE1-NH1 3.12Å; E61-R116 IonicContact OE1-NH2 2.71Å; E61-R116 PolarHBondContact OE1-NH2 3.18Å; E61-R116 IonicContact OE2-CZ 2.78Å; E61-R116 IonicContact OE2-NH1 2.71Å; E61-R116 IonicContact OE2-NH2 2.86Å; E61-R116 PolarHBondContact OE2-NH2 3.49Å
62R94.4Very high88.5Confident57 Ų5783.8 Ų83.822%0.21543%0.425CS..Hα-helixtrans-80.9-43.5176.5-132.7-61.2-151.6151.516.3110.8F58 F59 T60 R65 E66 L76F58-R62 PolarHBondContact O-N 3.48Å; F58-R62 VanDerWaalsContact O-N 3.11Å; F59-R62 PolarHBondContact O-N 3.15Å; T60-R62 VanDerWaalsContact C-N 3.28Å; T60-R62 PolarHBondContact O-N 2.95Å; R62-R65 WeakPolarHBondContact O-CB 3.41Å; R62-R65 PolarHBondContact O-N 2.91Å; R62-E66 IonicContact CZ-OE1 3.25Å; R62-E66 VanDerWaalsContact NH1-CG 3.27Å; R62-E66 IonicContact NH1-OE1 3.65Å; R62-E66 PolarHBondContact NH1-OE1 3.14Å; R62-E66 IonicContact NH1-OE2 2.71Å; R62-E66 WeakPolarHBondContact O-CG 3.42Å; R62-E66 PolarHBondContact O-N 2.89Å; R62-L76 HydrophobicContact CB-CD2 4.39Å; R62-L76 HydrophobicContact CG-CD2 4.21Å
63L93Very high88.2Confident23 Ų2387.1 Ų87.112%0.1244%0.439CS..Hα-helixtrans-70.5-34.1-178.9-69.3169.6000112.2V36 C49 L52 F59 T60 R65 E66 V74 L76V36-L63 HydrophobicContact CB-CD2 4.49Å; V36-L63 HydrophobicContact CG2-CD2 4.21Å; C49-L63 HydrophobicContact CB-CD1 3.84Å; C49-L63 VanDerWaalsContact SG-CD2 3.6Å; L52-L63 HydrophobicContact CB-CD1 4.48Å; F59-L63 HydrophobicContact CB-CD1 4.28Å; F59-L63 VanDerWaalsContact O-CB 3.24Å; F59-L63 WeakPolarHBondContact O-CB 3.47Å; F59-L63 WeakPolarHBondContact O-CD1 3.44Å; F59-L63 WeakPolarHBondContact O-CG 3.5Å; F59-L63 PolarHBondContact O-N 3.25Å; T60-L63 PolarHBondContact O-N 3.48Å; L63-R65 PolarHBondContact O-N 3.5Å; L63-E66 PolarHBondContact O-N 2.93Å; L63-E66 VanDerWaalsContact O-O 3.1Å; L63-V74 HydrophobicContact CD2-CB 4.28Å; L63-V74 HydrophobicContact CD2-CG1 3.95Å; L63-V74 HydrophobicContact CD2-CG2 4.47Å; L63-L76 HydrophobicContact CD2-CD1 3.87Å; L63-L76 HydrophobicContact CD2-CD2 4.34Å; L63-L76 HydrophobicContact CD2-CG 4.36Å; L63-L76 HydrophobicContact CG-CD1 4.16Å
64E91.4Very high88.1Confident151 Ų15185.8 Ų85.871%0.70643%0.429SS*.THydrogen-bonded Turntrans-63.1-27.6170.8-75.2176.817200113.1T60T60-E64 HydrophobicContact CG2-CG 4.46Å; T60-E64 WeakPolarHBondContact O-CB 3.37Å; T60-E64 WeakPolarHBondContact O-CG 3.4Å; T60-E64 PolarHBondContact O-N 3.06Å
65R89.9Confident88Confident178 Ų17885.8 Ų85.867%0.67242%0.422SS*.THydrogen-bonded Turntrans-83.2-37.4178.2-168.7177.4-56.1151.114.5112.4R62 L63 R67R62-R65 WeakPolarHBondContact O-CB 3.41Å; R62-R65 PolarHBondContact O-N 2.91Å; L63-R65 PolarHBondContact O-N 3.5Å; R65-R67 PolarHBondContact O-N 3.38Å
66E84.9Confident88Confident68 Ų6881.7 Ų81.732%0.31841%0.406SS..  trans-80.2100.9176.3-62.6-47.5140.200111.2R62 L63 P68 V74 L76R62-E66 IonicContact CZ-OE1 3.25Å; R62-E66 VanDerWaalsContact NH1-CG 3.27Å; R62-E66 IonicContact NH1-OE1 3.65Å; R62-E66 PolarHBondContact NH1-OE1 3.14Å; R62-E66 IonicContact NH1-OE2 2.71Å; R62-E66 WeakPolarHBondContact O-CG 3.42Å; R62-E66 PolarHBondContact O-N 2.89Å; L63-E66 PolarHBondContact O-N 2.93Å; L63-E66 VanDerWaalsContact O-O 3.1Å; E66-P68 WeakPolarHBondContact O-CD 3.43Å; E66-V74 HydrophobicContact CB-CG1 3.59Å; E66-V74 HydrophobicContact CB-CG2 4.46Å; E66-V74 HydrophobicContact CG-CG1 3.81Å; E66-L76 HydrophobicContact CG-CD2 3.99Å
67R66.4Low87.9Confident230 Ų23088.3 Ų88.387%0.86844%0.437SS*.  trans-73.5113.4161.1-70.1-164.9178.4108.40.7108.8R65 A69R65-R67 PolarHBondContact O-N 3.38Å; R67-A69 PolarHBondContact O-N 3.15Å
68P70Confident87.9Confident79 Ų7986 Ų8651%0.51342%0.421SS..PPolyproline II helixtrans-58.3130.1171.822.2-31.4000109.7E66 Q70 R72 V74E66-P68 WeakPolarHBondContact O-CD 3.43Å; P68-Q70 PolarHBondContact O-N 2.87Å; P68-R72 WeakPolarHBondContact CB-O 3.44Å; P68-V74 HydrophobicContact CB-CG2 3.8Å; P68-V74 HydrophobicContact CG-CG2 4.17Å
69A73.3Confident87.7Confident60 Ų6086.1 Ų86.150%0.49644%0.437SS..PPolyproline II helixtrans-59.1133165.500000108.3R67 G71 R72R67-A69 PolarHBondContact O-N 3.15Å; A69-G71 PolarHBondContact O-N 3.28Å; A69-G71 VanDerWaalsContact O-N 3.15Å; A69-R72 HydrophobicContact CB-CG 4.47Å; A69-R72 WeakPolarHBondContact O-CB 3.4Å; A69-R72 PolarHBondContact O-N 2.7Å
70Q76.4Confident87.4Confident202 Ų20289.9 Ų89.994%0.94448%0.477SS*.THydrogen-bonded Turntrans-52.9119.9-164.4-163.3169.98.400112.3P68P68-Q70 PolarHBondContact O-N 2.87Å
71G73.1Confident87.4Confident86 Ų8688.5 Ų88.589%0.88747%0.468SS*.THydrogen-bonded Turntrans82.213.1-176.800000116.1A69A69-G71 PolarHBondContact O-N 3.28Å; A69-G71 VanDerWaalsContact O-N 3.15Å
72R84.3Confident87.4Confident192 Ų19288.9 Ų88.973%0.72547%0.468SS*.  trans-117.1146.3175.1-57-169.8-178.1-172.8-1.2112P68 A69P68-R72 WeakPolarHBondContact CB-O 3.44Å; A69-R72 HydrophobicContact CB-CG 4.47Å; A69-R72 WeakPolarHBondContact O-CB 3.4Å; A69-R72 PolarHBondContact O-N 2.7Å
73K90.4Very high87.5Confident69 Ų6986.9 Ų86.930%0.346%0.462SS..  trans-65.5142.4170.3-56.3-174-177.1-169.20109.9D31 C34 D35 L37D31-K73 PolarHBondContact O-NZ 2.85Å; D31-K73 IonicContact OD1-NZ 3.18Å; D31-K73 PolarHBondContact OD1-NZ 3.2Å; D31-K73 IonicContact OD2-NZ 3.18Å; D31-K73 PolarHBondContact OD2-NZ 2.88Å; C34-K73 VanDerWaalsContact O-CD 3.27Å; C34-K73 WeakPolarHBondContact O-CD 3.38Å; C34-K73 WeakPolarHBondContact O-CE 3.47Å; C34-K73 PolarHBondContact O-NZ 2.9Å; D35-K73 CarbonylContact O-C 3.54Å; D35-K73 WeakPolarHBondContact O-CA 3.21Å; L37-K73 HydrophobicContact CD1-CB 4.49Å; L37-K73 HydrophobicContact CD1-CD 4.43Å; L37-K73 HydrophobicContact CD2-CD 4.03Å; L37-K73 HydrophobicContact CG-CB 4.18Å; L37-K73 HydrophobicContact CG-CD 4.06Å
74V93.5Very high87.7Confident12 Ų1288.3 Ų88.37%0.07347%0.474CS..EExtended strand (participates in β ladder)trans-67.4141.6169.7179.60000108.9D35 V36 L37 L63 E66 P68 L76D35-V74 PolarHBondContact O-N 3.08Å; V36-V74 CarbonylContact C-O 3.54Å; V36-V74 WeakPolarHBondContact CA-O 3.46Å; V36-V74 HydrophobicContact CB-CB 4.31Å; V36-V74 HydrophobicContact CG2-CB 4.24Å; L37-V74 PolarHBondContact N-O 3.49Å; L63-V74 HydrophobicContact CD2-CB 4.28Å; L63-V74 HydrophobicContact CD2-CG1 3.95Å; L63-V74 HydrophobicContact CD2-CG2 4.47Å; E66-V74 HydrophobicContact CB-CG1 3.59Å; E66-V74 HydrophobicContact CB-CG2 4.46Å; E66-V74 HydrophobicContact CG-CG1 3.81Å; P68-V74 HydrophobicContact CB-CG2 3.8Å; P68-V74 HydrophobicContact CG-CG2 4.17Å; V74-L76 HydrophobicContact CG1-CD2 3.69Å; V74-L76 HydrophobicContact CG1-CG 4.18Å
75V94.1Very high87.9Confident73 Ų7381.5 Ų81.544%0.44244%0.442SS..EExtended strand (participates in β ladder)trans-114.8117.3174.6-174.40000109.7L37L37-V75 WeakPolarHBondContact O-CA 3.49Å
76L95.1Very high88.3Confident0 Ų073 Ų730%041%0.41CS..EExtended strand (participates in β ladder)trans-108.599178.7-57.4-170.7000109.8V36 L37 L38 Q39 F59 R62 L63 E66 V74 L78V36-L76 HydrophobicContact CG2-CD1 3.98Å; V36-L76 HydrophobicContact CG2-CG 3.83Å; L37-L76 PolarHBondContact O-N 3.33Å; L38-L76 HydrophobicContact CD2-CB 3.77Å; L38-L76 HydrophobicContact CD2-CD1 3.72Å; L38-L76 HydrophobicContact CD2-CG 4.09Å; Q39-L76 PolarHBondContact N-O 3.29Å; F59-L76 HydrophobicContact CD1-CD1 3.72Å; F59-L76 HydrophobicContact CE1-CD1 4.07Å; R62-L76 HydrophobicContact CB-CD2 4.39Å; R62-L76 HydrophobicContact CG-CD2 4.21Å; L63-L76 HydrophobicContact CD2-CD1 3.87Å; L63-L76 HydrophobicContact CD2-CD2 4.34Å; L63-L76 HydrophobicContact CD2-CG 4.36Å; L63-L76 HydrophobicContact CG-CD1 4.16Å; E66-L76 HydrophobicContact CG-CD2 3.99Å; V74-L76 HydrophobicContact CG1-CD2 3.69Å; V74-L76 HydrophobicContact CG1-CG 4.18Å; L76-L78 HydrophobicContact CB-CD2 4.45Å; L76-L78 PolarHBondContact O-N 3.26Å
77E95.2Very high88.8Confident140 Ų14074.5 Ų74.565%0.65441%0.413SS*.EExtended strand (participates in β ladder)trans-71.1124169.6-168.9-179.1-17700110.4
78L95.7Very high90.3Very high6 Ų665.9 Ų65.93%0.03138%0.382CS..  trans-115.171.7-175.1-58.2-177.5000110.5L38 Q39 F58 F59 L76 L81 L86 L115L38-L78 HydrophobicContact CB-CD1 4.11Å; L38-L78 HydrophobicContact CD1-CD1 4.42Å; L38-L78 HydrophobicContact CD2-CD1 4.39Å; Q39-L78 PolarHBondContact O-N 3.36Å; F58-L78 HydrophobicContact CE1-CD2 3.83Å; F58-L78 HydrophobicContact CZ-CD2 4.1Å; F59-L78 HydrophobicContact CE1-CD1 4.08Å; F59-L78 HydrophobicContact CE1-CD2 4.15Å; F59-L78 HydrophobicContact CZ-CD1 4.05Å; L76-L78 HydrophobicContact CB-CD2 4.45Å; L76-L78 PolarHBondContact O-N 3.26Å; L78-L81 HydrophobicContact CB-CD1 4.08Å; L78-L81 HydrophobicContact CD1-CD1 4.37Å; L78-L81 PolarHBondContact O-N 3.27Å; L78-L86 HydrophobicContact CD1-CD1 3.66Å; L78-L86 HydrophobicContact CD1-CD2 4.18Å; L78-L115 HydrophobicContact CD1-CD1 4.46Å; L78-L115 HydrophobicContact CD1-CD2 4.21Å; L78-L115 HydrophobicContact CD2-CD2 4.08Å
79G92.6Very high91.6Very high53 Ų5362.4 Ų62.455%0.54636%0.359SS..THydrogen-bonded Turntrans-55.8139.7-178.800000113.8L81 Q114G79-L81 VanDerWaalsContact C-N 3.34Å; G79-Q114 PolarHBondContact O-NE2 2.73Å
80G91.3Very high92.7Very high84 Ų8459.7 Ų59.787%0.86634%0.336SS*.THydrogen-bonded Turntrans84.7-3.4177.800000115.7
81L95.3Very high93.6Very high9 Ų952.8 Ų52.85%0.04731%0.306CS..  trans-96.6143.9174.9-58.7-171.1000111.8L78 G79 A111 L115L78-L81 HydrophobicContact CB-CD1 4.08Å; L78-L81 HydrophobicContact CD1-CD1 4.37Å; L78-L81 PolarHBondContact O-N 3.27Å; G79-L81 VanDerWaalsContact C-N 3.34Å; L81-A111 HydrophobicContact CD1-CB 4.42Å; L81-A111 HydrophobicContact CD2-CB 3.58Å; L81-L115 HydrophobicContact CD1-CD1 3.67Å; L81-L115 HydrophobicContact CD1-CD2 4.11Å; L81-L115 HydrophobicContact CD1-CG 3.95Å
82K95.8Very high94.7Very high95 Ų9550.1 Ų50.141%0.41327%0.27SS..  trans-76.7144.8168.9-62.5174.1-179.4172.30110.8E41 S84 T85 L86 D107E41-K82 VanDerWaalsContact OE2-CA 3.23Å; E41-K82 WeakPolarHBondContact OE2-CA 3.35Å; K82-S84 VanDerWaalsContact C-N 3.31Å; K82-S84 PolarHBondContact O-N 2.98Å; K82-T85 WeakPolarHBondContact O-CB 3.35Å; K82-T85 PolarHBondContact O-N 3.11Å; K82-L86 PolarHBondContact O-N 3.09Å; K82-D107 IonicContact NZ-OD2 2.69Å; K82-D107 PolarHBondContact NZ-OD2 3.13Å
83I96.6Very high95.3Very high15 Ų1541.4 Ų41.48%0.07724%0.237CC..Hα-helixtrans-64-35.7178-172.564.3000112.4A40 E41 E43 V45 L86 R87A40-I83 HydrophobicContact CB-CD1 4.38Å; E41-I83 PolarHBondContact OE2-N 3.38Å; E43-I83 HydrophobicContact CB-CB 4.41Å; E43-I83 HydrophobicContact CB-CD1 3.67Å; E43-I83 HydrophobicContact CB-CG1 3.68Å; E43-I83 HydrophobicContact CG-CG1 4.38Å; V45-I83 HydrophobicContact CG2-CD1 3.61Å; I83-L86 HydrophobicContact CD1-CD2 4.31Å; I83-L86 PolarHBondContact O-N 2.98Å; I83-R87 WeakPolarHBondContact O-CG 3.49Å; I83-R87 PolarHBondContact O-N 3.29Å
84S96Very high95.6Very high53 Ų5338.4 Ų38.437%0.37122%0.224SC..Hα-helixtrans-64.3-42.817554.70000112.2K82 R87 K88K82-S84 VanDerWaalsContact C-N 3.31Å; K82-S84 PolarHBondContact O-N 2.98Å; S84-R87 PolarHBondContact O-N 2.59Å; S84-K88 WeakPolarHBondContact O-CG 3.24Å; S84-K88 PolarHBondContact O-N 2.95Å; S84-K88 VanDerWaalsContact O-N 3.11Å
85T96.7Very high95.7Very high7 Ų739.9 Ų39.94%0.04323%0.233CC..Hα-helixtrans-64-41.5174-57.20000111.6K82 L89 V108 A111K82-T85 WeakPolarHBondContact O-CB 3.35Å; K82-T85 PolarHBondContact O-N 3.11Å; T85-L89 WeakPolarHBondContact O-CG 3.34Å; T85-L89 PolarHBondContact O-N 3.14Å; T85-L89 VanDerWaalsContact O-N 3.11Å; T85-V108 HydrophobicContact CG2-CB 4.48Å; T85-V108 HydrophobicContact CG2-CG2 3.93Å; T85-A111 HydrophobicContact CG2-CB 3.47Å; T85-A111 VanDerWaalsContact CG2-CB 3.47Å
86L97.1Very high95.6Very high1 Ų140.9 Ų40.91%0.00524%0.244CC..Hα-helixtrans-64.3-45.3176.7178.860000111.7L38 A40 V45 L78 K82 I83 L89 V90L38-L86 HydrophobicContact CB-CD1 4.4Å; L38-L86 HydrophobicContact CB-CD2 3.93Å; L38-L86 HydrophobicContact CD1-CD1 4.06Å; A40-L86 HydrophobicContact CB-CB 4.45Å; A40-L86 HydrophobicContact CB-CD2 3.63Å; V45-L86 HydrophobicContact CG2-CD2 4.04Å; V45-L86 HydrophobicContact CG2-CG 4.18Å; L78-L86 HydrophobicContact CD1-CD1 3.66Å; L78-L86 HydrophobicContact CD1-CD2 4.18Å; K82-L86 PolarHBondContact O-N 3.09Å; I83-L86 HydrophobicContact CD1-CD2 4.31Å; I83-L86 PolarHBondContact O-N 2.98Å; L86-L89 PolarHBondContact O-N 3.22Å; L86-V90 HydrophobicContact CD1-CG2 4.2Å; L86-V90 WeakPolarHBondContact O-CG2 3.28Å; L86-V90 PolarHBondContact O-N 3.04Å
87R96.8Very high95.5Very high98 Ų9847.3 Ų47.337%0.3727%0.273SS..Hα-helixtrans-56-56.1175.4-77.4178.1171.31238.9111E43 V45 I83 S84 L89 V90 D91E43-R87 IonicContact OE2-CZ 2.7Å; E43-R87 IonicContact OE2-NH1 2.61Å; E43-R87 PolarHBondContact OE2-NH1 3.25Å; E43-R87 IonicContact OE2-NH2 2.73Å; E43-R87 PolarHBondContact OE2-NH2 3.47Å; V45-R87 HydrophobicContact CG2-CG 3.85Å; I83-R87 WeakPolarHBondContact O-CG 3.49Å; I83-R87 PolarHBondContact O-N 3.29Å; S84-R87 PolarHBondContact O-N 2.59Å; R87-L89 VanDerWaalsContact C-N 3.25Å; R87-L89 PolarHBondContact O-N 3.16Å; R87-L89 VanDerWaalsContact O-N 3.16Å; R87-V90 CarbonylContact O-C 3.58Å; R87-V90 WeakPolarHBondContact O-CA 3.3Å; R87-V90 WeakPolarHBondContact O-CB 3.43Å; R87-V90 PolarHBondContact O-N 2.85Å; R87-D91 VanDerWaalsContact C-OD2 3.29Å; R87-D91 PolarHBondContact O-N 2.87Å; R87-D91 VanDerWaalsContact O-OD2 3.08Å
88K96.4Very high95.4Very high50 Ų5043 Ų4322%0.21725%0.254CS..Hα-helixtrans-55.8-36.7179.2-71.5-176.1173.9-167.70113.7S84 F92 M98 E99 V100 E104S84-K88 WeakPolarHBondContact O-CG 3.24Å; S84-K88 PolarHBondContact O-N 2.95Å; S84-K88 VanDerWaalsContact O-N 3.11Å; K88-F92 WeakPolarHBondContact O-CB 3.45Å; K88-F92 PolarHBondContact O-N 2.97Å; K88-F92 VanDerWaalsContact O-N 3.15Å; K88-M98 HydrophobicContact CB-CG 4.34Å; K88-M98 HydrophobicContact CB-SD 4.19Å; K88-E99 WeakPolarHBondContact CE-O 3.37Å; K88-E99 PolarHBondContact NZ-O 3.32Å; K88-E99 VanDerWaalsContact NZ-O 3.08Å; K88-V100 HydrophobicContact CD-CG1 4.2Å; K88-E104 IonicContact NZ-OE1 3.06Å; K88-E104 PolarHBondContact NZ-OE1 3.27Å; K88-E104 IonicContact NZ-OE2 2.72Å; K88-E104 PolarHBondContact NZ-OE2 2.86Å
89L97Very high95.2Very high6 Ų650.9 Ų50.93%0.03129%0.291CS..Hα-helixtrans-69.9-40173.3-74.4179.3000112.9T85 L86 R87 L93 M98 V108 A111 A112 L115 L120T85-L89 WeakPolarHBondContact O-CG 3.34Å; T85-L89 PolarHBondContact O-N 3.14Å; T85-L89 VanDerWaalsContact O-N 3.11Å; L86-L89 PolarHBondContact O-N 3.22Å; R87-L89 VanDerWaalsContact C-N 3.25Å; R87-L89 PolarHBondContact O-N 3.16Å; R87-L89 VanDerWaalsContact O-N 3.16Å; L89-L93 WeakPolarHBondContact O-CG 3.47Å; L89-L93 PolarHBondContact O-N 3.37Å; L89-M98 HydrophobicContact CD2-SD 4.45Å; L89-V108 HydrophobicContact CD2-CG1 3.96Å; L89-A111 HydrophobicContact CD1-CB 3.56Å; L89-A112 HydrophobicContact CD2-CB 4.21Å; L89-L115 HydrophobicContact CD1-CD1 4.06Å; L89-L120 HydrophobicContact CD2-CD1 3.41Å; L89-L120 VanDerWaalsContact CD2-CD1 3.41Å
90V97.1Very high95.2Very high2 Ų250 Ų501%0.01228%0.275CS..Hα-helixtrans-65.5-46.5175.4172.40000110.5L38 V45 L86 R87 F92 L93 Y94L38-V90 HydrophobicContact CD1-CG2 3.82Å; V45-V90 HydrophobicContact CG1-CB 4.22Å; V45-V90 HydrophobicContact CG1-CG1 4.03Å; V45-V90 HydrophobicContact CG1-CG2 4.09Å; L86-V90 HydrophobicContact CD1-CG2 4.2Å; L86-V90 WeakPolarHBondContact O-CG2 3.28Å; L86-V90 PolarHBondContact O-N 3.04Å; R87-V90 CarbonylContact O-C 3.58Å; R87-V90 WeakPolarHBondContact O-CA 3.3Å; R87-V90 WeakPolarHBondContact O-CB 3.43Å; R87-V90 PolarHBondContact O-N 2.85Å; V90-F92 VanDerWaalsContact C-N 3.31Å; V90-F92 PolarHBondContact O-N 3.11Å; V90-L93 WeakPolarHBondContact O-CB 3.26Å; V90-L93 PolarHBondContact O-N 3.38Å; V90-Y94 HydrophobicContact CG1-CD2 4.27Å; V90-Y94 HydrophobicContact CG1-CE2 3.93Å; V90-Y94 VanDerWaalsContact O-CD2 3.3Å; V90-Y94 WeakPolarHBondContact O-CD2 3.34Å
91D96.1Very high95.3Very high57 Ų5748.1 Ų48.131%0.30525%0.248SC..Hα-helixtrans-53.9-49.4177.6-55.4-32.8000110.3R87 L93 Y94 T95R87-D91 VanDerWaalsContact C-OD2 3.29Å; R87-D91 PolarHBondContact O-N 2.87Å; R87-D91 VanDerWaalsContact O-OD2 3.08Å; D91-L93 VanDerWaalsContact C-N 3.26Å; D91-L93 PolarHBondContact O-N 3.23Å; D91-Y94 PolarHBondContact O-N 2.99Å; D91-T95 PolarHBondContact O-N 3.41Å; D91-T95 PolarHBondContact O-OG1 2.88Å
92F96.4Very high95Very high31 Ų3153.9 Ų53.914%0.13628%0.275CS..Hα-helixtrans-54.7-35.4175.2176.4-98000113.9K88 V90 Y94 S96 M98 V117 E119 L120K88-F92 WeakPolarHBondContact O-CB 3.45Å; K88-F92 PolarHBondContact O-N 2.97Å; K88-F92 VanDerWaalsContact O-N 3.15Å; V90-F92 VanDerWaalsContact C-N 3.31Å; V90-F92 PolarHBondContact O-N 3.11Å; F92-Y94 PolarHBondContact O-N 3.36Å; F92-S96 WeakPolarHBondContact CE2-O 3.5Å; F92-S96 VanDerWaalsContact O-CA 3.26Å; F92-S96 WeakPolarHBondContact O-CA 3.42Å; F92-S96 PolarHBondContact O-N 2.79Å; F92-M98 HydrophobicContact CB-CB 4.15Å; F92-M98 HydrophobicContact CB-SD 4.25Å; F92-M98 HydrophobicContact CD2-CB 3.93Å; F92-M98 HydrophobicContact CG-CB 4.42Å; F92-V117 HydrophobicContact CE1-CG1 4.49Å; F92-E119 HydrophobicContact CZ-CB 4.43Å; F92-L120 HydrophobicContact CD1-CD1 3.55Å; F92-L120 HydrophobicContact CD1-CD2 4.37Å; F92-L120 HydrophobicContact CD1-CG 3.97Å; F92-L120 HydrophobicContact CE1-CD1 3.72Å; F92-L120 HydrophobicContact CE1-CD2 3.87Å; F92-L120 HydrophobicContact CE1-CG 3.56Å; F92-L120 HydrophobicContact CE2-CD2 4.02Å; F92-L120 HydrophobicContact CG-CD1 4.06Å; F92-L120 HydrophobicContact CZ-CD1 4.34Å; F92-L120 HydrophobicContact CZ-CD2 3.67Å; F92-L120 HydrophobicContact CZ-CG 3.91Å
93L96.4Very high94.7Very high8 Ų856 Ų564%0.04229%0.287CS..Hα-helixtrans-69.7-16.9178.2-65.4-174.3000113.6I51 L52 Y55 L89 V90 D91 V117I51-L93 HydrophobicContact CG2-CB 4.2Å; L52-L93 HydrophobicContact CD2-CD1 3.68Å; Y55-L93 VanDerWaalsContact CB-CD2 3.45Å; Y55-L93 HydrophobicContact CD2-CD2 4.07Å; Y55-L93 HydrophobicContact CG-CD2 3.79Å; L89-L93 WeakPolarHBondContact O-CG 3.47Å; L89-L93 PolarHBondContact O-N 3.37Å; V90-L93 WeakPolarHBondContact O-CB 3.26Å; V90-L93 PolarHBondContact O-N 3.38Å; D91-L93 VanDerWaalsContact C-N 3.26Å; D91-L93 PolarHBondContact O-N 3.23Å; L93-V117 HydrophobicContact CD2-CG1 4.01Å
94Y96.7Very high94.5Very high7 Ų757.9 Ų57.93%0.02730%0.295CS..Hα-helixtrans-104.9-32175.1-67.6-85.7000113.5L24 H25 Q28 H48 I51 V90 D91 F92L24-Y94 HydrophobicContact CB-CD1 4.13Å; L24-Y94 HydrophobicContact CB-CE1 4.16Å; H25-Y94 HydrophobicContact CB-CD1 4.39Å; H25-Y94 HydrophobicContact CB-CG 4.29Å; Q28-Y94 HydrophobicContact CB-CE1 4.11Å; Q28-Y94 HydrophobicContact CB-CE2 4.04Å; Q28-Y94 HydrophobicContact CG-CD2 4.39Å; Q28-Y94 HydrophobicContact CG-CE2 3.69Å; H48-Y94 PolarHBondContact N-OH 2.88Å; H48-Y94 VanDerWaalsContact N-OH 3.11Å; H48-Y94 AromaticContact ND1-CE1 3.73Å; H48-Y94 AromaticContact ND1-CZ 3.74Å; H48-Y94 PolarHBondContact ND1-OH 3.1Å; I51-Y94 HydrophobicContact CB-CE1 4.3Å; I51-Y94 HydrophobicContact CG1-CE1 3.91Å; I51-Y94 HydrophobicContact CG2-CD1 4.46Å; I51-Y94 HydrophobicContact CG2-CE1 4.06Å; I51-Y94 HydrophobicContact CG2-CE2 4.4Å; V90-Y94 HydrophobicContact CG1-CD2 4.27Å; V90-Y94 HydrophobicContact CG1-CE2 3.93Å; V90-Y94 VanDerWaalsContact O-CD2 3.3Å; V90-Y94 WeakPolarHBondContact O-CD2 3.34Å; D91-Y94 PolarHBondContact O-N 2.99Å; F92-Y94 PolarHBondContact O-N 3.36Å
95T94.8Very high94.3Very high43 Ų4355.5 Ų55.526%0.26428%0.278SS..Hα-helixtrans-94.7-26.5-177.959.10000114H25 D91 E97H25-T95 VanDerWaalsContact CE1-CG2 3.4Å; H25-T95 WeakPolarHBondContact CE1-CG2 3.35Å; D91-T95 PolarHBondContact O-N 3.41Å; D91-T95 PolarHBondContact O-OG1 2.88Å; T95-E97 PolarHBondContact O-N 2.94Å; T95-E97 PolarHBondContact OG1-N 2.99Å; T95-E97 PolarHBondContact OG1-O 2.97Å
96S93.4Very high94.2Very high94 Ų9460.2 Ų60.266%0.65730%0.3SS*.SBendtrans59.513-159.468.10000115.6F92F92-S96 WeakPolarHBondContact CE2-O 3.5Å; F92-S96 VanDerWaalsContact O-CA 3.26Å; F92-S96 WeakPolarHBondContact O-CA 3.42Å; F92-S96 PolarHBondContact O-N 2.79Å
97E92.7Very high94.1Very high134 Ų13462.8 Ų62.863%0.62631%0.313SS*.  trans-128.3143.3-176.2-66.3175-162.200110.3T95T95-E97 PolarHBondContact O-N 2.94Å; T95-E97 PolarHBondContact OG1-N 2.99Å; T95-E97 PolarHBondContact OG1-O 2.97Å
98M92.5Very high94Very high49 Ų4958.2 Ų58.224%0.24130%0.296CS..  trans-155.6128.5-176-176.3174.653.100112.1K88 L89 F92 V100 V108 L120K88-M98 HydrophobicContact CB-CG 4.34Å; K88-M98 HydrophobicContact CB-SD 4.19Å; L89-M98 HydrophobicContact CD2-SD 4.45Å; F92-M98 HydrophobicContact CB-CB 4.15Å; F92-M98 HydrophobicContact CB-SD 4.25Å; F92-M98 HydrophobicContact CD2-CB 3.93Å; F92-M98 HydrophobicContact CG-CB 4.42Å; M98-V100 HydrophobicContact CG-CG1 4.12Å; M98-V100 HydrophobicContact SD-CG1 4.31Å; M98-V108 HydrophobicContact CE-CG1 3.59Å; M98-V108 HydrophobicContact SD-CG1 3.64Å; M98-L120 HydrophobicContact CE-CD1 3.83Å; M98-L120 HydrophobicContact CE-CD2 3.97Å
99E91.6Very high93.9Very high172 Ų17256 Ų5680%0.80429%0.287SS*.  trans-103.8128.2174.7-169.4175-173.300111.4K88K88-E99 WeakPolarHBondContact CE-O 3.37Å; K88-E99 PolarHBondContact NZ-O 3.32Å; K88-E99 VanDerWaalsContact NZ-O 3.08Å
100V92.7Very high93.8Very high36 Ų3658.2 Ų58.222%0.21830%0.303CS..  trans-139.1139.6-177.4-71.80000110.6K88 M98 E104 A105 V108 L130K88-V100 HydrophobicContact CD-CG1 4.2Å; M98-V100 HydrophobicContact CG-CG1 4.12Å; M98-V100 HydrophobicContact SD-CG1 4.31Å; V100-E104 HydrophobicContact CB-CB 4.37Å; V100-A105 HydrophobicContact CB-CB 4.4Å; V100-A105 HydrophobicContact CG2-CB 3.96Å; V100-V108 HydrophobicContact CG1-CB 4.3Å; V100-V108 HydrophobicContact CG1-CG1 4.34Å; V100-V108 HydrophobicContact CG1-CG2 3.81Å; V100-L130 HydrophobicContact CG2-CD1 4.32Å
101S92.3Very high93.8Very high44 Ų4458.1 Ų58.131%0.30830%0.303SS..  trans-69.1164.916695.90000110.8E103 E104 A105S101-E103 WeakPolarHBondContact CB-OE2 3.47Å; S101-E103 PolarHBondContact O-N 3.22Å; S101-E103 PolarHBondContact OG-N 2.98Å; S101-E103 PolarHBondContact OG-OE2 3.44Å; S101-E104 PolarHBondContact N-OE2 2.99Å; S101-E104 PolarHBondContact O-N 3.03Å; S101-E104 PolarHBondContact OG-N 3.11Å; S101-E104 VanDerWaalsContact OG-N 3.16Å; S101-A105 WeakPolarHBondContact O-CB 3.45Å; S101-A105 PolarHBondContact O-N 3.14Å
102Q89.2Confident93.8Very high130 Ų13055.4 Ų55.461%0.60729%0.288SS*.Hα-helixtrans-63.4-29.7177.8-174175-32.200112L125Q102-L125 HydrophobicContact CG-CD2 4.21Å
103E89.4Confident93.8Very high140 Ų14058.7 Ų58.765%0.65430%0.3SS*.Hα-helixtrans-74-46.3176.7-54.868.2-147.100111S101S101-E103 WeakPolarHBondContact CB-OE2 3.47Å; S101-E103 PolarHBondContact O-N 3.22Å; S101-E103 PolarHBondContact OG-N 2.98Å; S101-E103 PolarHBondContact OG-OE2 3.44Å
104E92.6Very high93.8Very high54 Ų5462.4 Ų62.425%0.25232%0.317SS..Hα-helixtrans-69.3-31.5178.4-66.1178.4118.400113.2K88 V100 S101 Q106 D107 V108K88-E104 IonicContact NZ-OE1 3.06Å; K88-E104 PolarHBondContact NZ-OE1 3.27Å; K88-E104 IonicContact NZ-OE2 2.72Å; K88-E104 PolarHBondContact NZ-OE2 2.86Å; V100-E104 HydrophobicContact CB-CB 4.37Å; S101-E104 PolarHBondContact N-OE2 2.99Å; S101-E104 PolarHBondContact O-N 3.03Å; S101-E104 PolarHBondContact OG-N 3.11Å; S101-E104 VanDerWaalsContact OG-N 3.16Å; E104-Q106 PolarHBondContact O-N 3.35Å; E104-D107 WeakPolarHBondContact O-CB 3.47Å; E104-D107 PolarHBondContact O-N 2.85Å; E104-V108 PolarHBondContact O-N 2.92Å
105A93.4Very high93.8Very high3 Ų362.2 Ų62.23%0.02532%0.316CS..Hα-helixtrans-55.5-37.1-175.300000112.3V100 S101 L109 L125 L130V100-A105 HydrophobicContact CB-CB 4.4Å; V100-A105 HydrophobicContact CG2-CB 3.96Å; S101-A105 WeakPolarHBondContact O-CB 3.45Å; S101-A105 PolarHBondContact O-N 3.14Å; A105-L109 WeakPolarHBondContact O-CB 3.37Å; A105-L109 WeakPolarHBondContact O-CG 3.39Å; A105-L109 PolarHBondContact O-N 3.43Å; A105-L125 HydrophobicContact CB-CD1 4.18Å; A105-L125 HydrophobicContact CB-CD2 4.16Å; A105-L130 HydrophobicContact CB-CD2 4.4Å
106Q93.4Very high93.9Very high106 Ų10663.9 Ų63.950%0.49532%0.318SS..Hα-helixtrans-70.9-37.4177.8-176.5635.100112.6E104 S110E104-Q106 PolarHBondContact O-N 3.35Å; Q106-S110 WeakPolarHBondContact O-CB 3.14Å; Q106-S110 PolarHBondContact O-N 3.02Å
107D94.3Very high94Very high54 Ų5459.6 Ų59.629%0.28929%0.288SS..Hα-helixtrans-64.6-47.7174.1-72.5-20.4000110.3K82 E104 L109 S110 A111K82-D107 IonicContact NZ-OD2 2.69Å; K82-D107 PolarHBondContact NZ-OD2 3.13Å; E104-D107 WeakPolarHBondContact O-CB 3.47Å; E104-D107 PolarHBondContact O-N 2.85Å; D107-L109 PolarHBondContact O-N 3.33Å; D107-S110 WeakPolarHBondContact O-CB 3.3Å; D107-S110 PolarHBondContact O-N 3.34Å; D107-S110 VanDerWaalsContact O-N 3.08Å; D107-S110 PolarHBondContact O-OG 3.06Å; D107-A111 WeakPolarHBondContact O-CB 3.37Å; D107-A111 PolarHBondContact O-N 3.11Å
108V95.7Very high94Very high2 Ų255.9 Ų55.91%0.01228%0.276CS..Hα-helixtrans-60.1-44.3177.4169.90000111.9T85 L89 M98 V100 E104 S110 A111 A112T85-V108 HydrophobicContact CG2-CB 4.48Å; T85-V108 HydrophobicContact CG2-CG2 3.93Å; L89-V108 HydrophobicContact CD2-CG1 3.96Å; M98-V108 HydrophobicContact CE-CG1 3.59Å; M98-V108 HydrophobicContact SD-CG1 3.64Å; V100-V108 HydrophobicContact CG1-CB 4.3Å; V100-V108 HydrophobicContact CG1-CG1 4.34Å; V100-V108 HydrophobicContact CG1-CG2 3.81Å; E104-V108 PolarHBondContact O-N 2.92Å; V108-S110 VanDerWaalsContact C-N 3.32Å; V108-S110 PolarHBondContact O-N 3.3Å; V108-A111 PolarHBondContact O-N 3.33Å; V108-A112 VanDerWaalsContact O-CB 3.28Å; V108-A112 WeakPolarHBondContact O-CB 3.43Å; V108-A112 PolarHBondContact O-N 3.27Å
109L95.1Very high93.9Very high3 Ų358.4 Ų58.42%0.01629%0.288CS..Hα-helixtrans-67.3-30.8174.3-69.5178.7000112.7A105 D107 R113 L123 L125 L130A105-L109 WeakPolarHBondContact O-CB 3.37Å; A105-L109 WeakPolarHBondContact O-CG 3.39Å; A105-L109 PolarHBondContact O-N 3.43Å; D107-L109 PolarHBondContact O-N 3.33Å; L109-R113 WeakPolarHBondContact O-CG 3.16Å; L109-R113 PolarHBondContact O-N 2.93Å; L109-R113 PolarHBondContact O-NE 3.43Å; L109-R113 PolarHBondContact O-NH2 3.1Å; L109-L123 HydrophobicContact CD2-CB 3.61Å; L109-L125 HydrophobicContact CD1-CB 4.23Å; L109-L130 HydrophobicContact CD1-CD2 3.83Å; L109-L130 HydrophobicContact CD2-CD2 4.22Å; L109-L130 HydrophobicContact CG-CD2 4.17Å
110S95.1Very high93.9Very high53 Ų5350.5 Ų50.537%0.37125%0.251SS..Hα-helixtrans-68.4-45.4173.781.70000111.5Q106 D107 V108 R113 Q114Q106-S110 WeakPolarHBondContact O-CB 3.14Å; Q106-S110 PolarHBondContact O-N 3.02Å; D107-S110 WeakPolarHBondContact O-CB 3.3Å; D107-S110 PolarHBondContact O-N 3.34Å; D107-S110 VanDerWaalsContact O-N 3.08Å; D107-S110 PolarHBondContact O-OG 3.06Å; V108-S110 VanDerWaalsContact C-N 3.32Å; V108-S110 PolarHBondContact O-N 3.3Å; S110-R113 PolarHBondContact O-N 3.42Å; S110-Q114 PolarHBondContact O-N 2.85Å
111A96.4Very high93.9Very high1 Ų152.7 Ų52.71%0.00826%0.259CS..Hα-helixtrans-66.4-41.5178.400000112.1L81 T85 L89 D107 V108 R113 Q114 L115L81-A111 HydrophobicContact CD1-CB 4.42Å; L81-A111 HydrophobicContact CD2-CB 3.58Å; T85-A111 HydrophobicContact CG2-CB 3.47Å; T85-A111 VanDerWaalsContact CG2-CB 3.47Å; L89-A111 HydrophobicContact CD1-CB 3.56Å; D107-A111 WeakPolarHBondContact O-CB 3.37Å; D107-A111 PolarHBondContact O-N 3.11Å; V108-A111 PolarHBondContact O-N 3.33Å; A111-R113 VanDerWaalsContact C-N 3.27Å; A111-R113 PolarHBondContact O-N 2.91Å; A111-Q114 PolarHBondContact O-N 3.24Å; A111-L115 WeakPolarHBondContact O-CB 3.33Å; A111-L115 WeakPolarHBondContact O-CG 3.5Å; A111-L115 PolarHBondContact O-N 3.11Å
112A96.6Very high93.8Very high0 Ų051.6 Ų51.60%025%0.251CS..Hα-helixtrans-57.5-38.9173.800000112.5L89 V108 L115 R116 V117 L120L89-A112 HydrophobicContact CD2-CB 4.21Å; V108-A112 VanDerWaalsContact O-CB 3.28Å; V108-A112 WeakPolarHBondContact O-CB 3.43Å; V108-A112 PolarHBondContact O-N 3.27Å; A112-L115 CarbonylContact O-C 3.55Å; A112-R116 WeakPolarHBondContact O-CA 3.37Å; A112-R116 PolarHBondContact O-N 3.41Å; A112-V117 HydrophobicContact CB-CB 4.4Å; A112-V117 PolarHBondContact O-N 3.04Å; A112-L120 HydrophobicContact CB-CB 3.55Å; A112-L120 HydrophobicContact CB-CD1 4.34Å
113R95.9Very high94Very high99 Ų9946.7 Ų46.737%0.37423%0.229SC..Hα-helixtrans-74.7-38.9175.7-72.8177.6-71.7-121.51.4112.5L109 S110 A111 L115 R116 E121 L123L109-R113 WeakPolarHBondContact O-CG 3.16Å; L109-R113 PolarHBondContact O-N 2.93Å; L109-R113 PolarHBondContact O-NE 3.43Å; L109-R113 PolarHBondContact O-NH2 3.1Å; S110-R113 PolarHBondContact O-N 3.42Å; A111-R113 VanDerWaalsContact C-N 3.27Å; A111-R113 PolarHBondContact O-N 2.91Å; R113-L115 VanDerWaalsContact C-N 3.31Å; R113-L115 PolarHBondContact O-N 3.27Å; R113-R116 PolarHBondContact O-N 2.94Å; R113-E121 HydrophobicContact CG-CB 3.94Å; R113-E121 WeakPolarHBondContact CG-O 3.24Å; R113-L123 PolarHBondContact NH1-O 2.99Å
114Q95.6Very high94.1Very high87 Ų8745.1 Ų45.141%0.40722%0.221SC..Hα-helixtrans-60.5-41.5173176173.2-22.500111.7G79 S110 A111G79-Q114 PolarHBondContact O-NE2 2.73Å; S110-Q114 PolarHBondContact O-N 2.85Å; A111-Q114 PolarHBondContact O-N 3.24Å
115L96.7Very high94Very high2 Ų245.3 Ų45.31%0.0122%0.224CC..THydrogen-bonded Turntrans-91.67.8179.4-60.1178.7000113.6S56 F58 F59 L78 L81 L89 A111 A112 R113 V117S56-L115 WeakPolarHBondContact CB-O 3.44Å; S56-L115 PolarHBondContact OG-O 3.24Å; F58-L115 WeakPolarHBondContact CB-O 3.44Å; F58-L115 HydrophobicContact CD1-CD2 3.65Å; F58-L115 HydrophobicContact CE1-CD2 3.44Å; F58-L115 VanDerWaalsContact CE1-CD2 3.44Å; F58-L115 HydrophobicContact CG-CD2 4.47Å; F58-L115 HydrophobicContact CZ-CD2 4.09Å; F59-L115 HydrophobicContact CE1-CD2 4.34Å; F59-L115 HydrophobicContact CE2-CD1 4.33Å; F59-L115 HydrophobicContact CZ-CD1 3.99Å; F59-L115 HydrophobicContact CZ-CD2 3.99Å; F59-L115 HydrophobicContact CZ-CG 4.46Å; L78-L115 HydrophobicContact CD1-CD1 4.46Å; L78-L115 HydrophobicContact CD1-CD2 4.21Å; L78-L115 HydrophobicContact CD2-CD2 4.08Å; L81-L115 HydrophobicContact CD1-CD1 3.67Å; L81-L115 HydrophobicContact CD1-CD2 4.11Å; L81-L115 HydrophobicContact CD1-CG 3.95Å; L89-L115 HydrophobicContact CD1-CD1 4.06Å; A111-L115 WeakPolarHBondContact O-CB 3.33Å; A111-L115 WeakPolarHBondContact O-CG 3.5Å; A111-L115 PolarHBondContact O-N 3.11Å; A112-L115 CarbonylContact O-C 3.55Å; R113-L115 VanDerWaalsContact C-N 3.31Å; R113-L115 PolarHBondContact O-N 3.27Å; L115-V117 VanDerWaalsContact C-N 3.27Å; L115-V117 HydrophobicContact CB-CG2 4.02Å; L115-V117 PolarHBondContact O-N 3.38Å; L115-V117 VanDerWaalsContact O-N 3.16Å
116R96.7Very high93.8Very high79 Ų7951.4 Ų51.430%0.29825%0.252SS..THydrogen-bonded Turntrans43.947.5-179.8-68.3-179.3-80.1164.2-7.9114P57 F58 E61 A112 R113 S118 E121P57-R116 VanDerWaalsContact CD-O 3.28Å; P57-R116 WeakPolarHBondContact CD-O 3.44Å; F58-R116 HydrophobicContact CB-CB 4.27Å; E61-R116 IonicContact OE1-CZ 2.65Å; E61-R116 IonicContact OE1-NH1 2.61Å; E61-R116 PolarHBondContact OE1-NH1 3.12Å; E61-R116 IonicContact OE1-NH2 2.71Å; E61-R116 PolarHBondContact OE1-NH2 3.18Å; E61-R116 IonicContact OE2-CZ 2.78Å; E61-R116 IonicContact OE2-NH1 2.71Å; E61-R116 IonicContact OE2-NH2 2.86Å; E61-R116 PolarHBondContact OE2-NH2 3.49Å; A112-R116 WeakPolarHBondContact O-CA 3.37Å; A112-R116 PolarHBondContact O-N 3.41Å; R113-R116 PolarHBondContact O-N 2.94Å; R116-S118 PolarHBondContact O-N 3.22Å; R116-E121 WeakPolarHBondContact CA-OE2 3.18Å
117V96.6Very high93.4Very high4 Ų450.5 Ų50.52%0.02427%0.27CS..  trans-77.5105.1179.6179.30000108.6F92 L93 A112 L115 E119 L120 E121F92-V117 HydrophobicContact CE1-CG1 4.49Å; L93-V117 HydrophobicContact CD2-CG1 4.01Å; A112-V117 HydrophobicContact CB-CB 4.4Å; A112-V117 PolarHBondContact O-N 3.04Å; L115-V117 VanDerWaalsContact C-N 3.27Å; L115-V117 HydrophobicContact CB-CG2 4.02Å; L115-V117 PolarHBondContact O-N 3.38Å; L115-V117 VanDerWaalsContact O-N 3.16Å; V117-E119 VanDerWaalsContact C-N 3.31Å; V117-E119 PolarHBondContact O-N 3.06Å; V117-E119 VanDerWaalsContact O-N 3.08Å; V117-L120 HydrophobicContact CB-CB 4.35Å; V117-L120 HydrophobicContact CG1-CB 4.16Å; V117-L120 HydrophobicContact CG1-CD1 4.05Å; V117-L120 HydrophobicContact CG1-CG 4.09Å; V117-L120 PolarHBondContact O-N 3.2Å; V117-E121 PolarHBondContact O-N 2.73Å
118S91.4Very high93Very high56 Ų5650.1 Ų50.139%0.39228%0.279SS..THydrogen-bonded Turntrans-54.6-36.8-158.4-52.40000115.6Y55 R116Y55-S118 PolarHBondContact O-N 3.31Å; Y55-S118 PolarHBondContact O-OG 3.32Å; Y55-S118 VanDerWaalsContact O-OG 3.05Å; R116-S118 PolarHBondContact O-N 3.22Å
119E90.9Very high92.5Very high102 Ų10257.4 Ų57.448%0.47731%0.311SS..THydrogen-bonded Turntrans-80.2-34.8177.7-79.1-59.3130.700113F92 V117 S122 K132F92-E119 HydrophobicContact CZ-CB 4.43Å; V117-E119 VanDerWaalsContact C-N 3.31Å; V117-E119 PolarHBondContact O-N 3.06Å; V117-E119 VanDerWaalsContact O-N 3.08Å; E119-S122 PolarHBondContact O-OG 2.7Å; E119-K132 VanDerWaalsContact CD-NZ 3.29Å; E119-K132 IonicContact OE1-NZ 3.84Å; E119-K132 PolarHBondContact OE1-NZ 3.43Å; E119-K132 IonicContact OE2-NZ 3.88Å; E119-K132 PolarHBondContact OE2-NZ 3.23Å
120L92.6Very high92.2Very high5 Ų560.4 Ų60.43%0.02633%0.327CS..THydrogen-bonded Turntrans-88.7-30.3-173.2-63.3-177.2000113.7L89 F92 M98 A112 V117 S122 L123L89-L120 HydrophobicContact CD2-CD1 3.41Å; L89-L120 VanDerWaalsContact CD2-CD1 3.41Å; F92-L120 HydrophobicContact CD1-CD1 3.55Å; F92-L120 HydrophobicContact CD1-CD2 4.37Å; F92-L120 HydrophobicContact CD1-CG 3.97Å; F92-L120 HydrophobicContact CE1-CD1 3.72Å; F92-L120 HydrophobicContact CE1-CD2 3.87Å; F92-L120 HydrophobicContact CE1-CG 3.56Å; F92-L120 HydrophobicContact CE2-CD2 4.02Å; F92-L120 HydrophobicContact CG-CD1 4.06Å; F92-L120 HydrophobicContact CZ-CD1 4.34Å; F92-L120 HydrophobicContact CZ-CD2 3.67Å; F92-L120 HydrophobicContact CZ-CG 3.91Å; M98-L120 HydrophobicContact CE-CD1 3.83Å; M98-L120 HydrophobicContact CE-CD2 3.97Å; A112-L120 HydrophobicContact CB-CB 3.55Å; A112-L120 HydrophobicContact CB-CD1 4.34Å; V117-L120 HydrophobicContact CB-CB 4.35Å; V117-L120 HydrophobicContact CG1-CB 4.16Å; V117-L120 HydrophobicContact CG1-CD1 4.05Å; V117-L120 HydrophobicContact CG1-CG 4.09Å; V117-L120 PolarHBondContact O-N 3.2Å; L120-S122 PolarHBondContact O-N 3.43Å; L120-S122 VanDerWaalsContact O-N 3.11Å; L120-L123 HydrophobicContact CD2-CD1 3.61Å; L120-L123 WeakPolarHBondContact O-CB 3.27Å; L120-L123 PolarHBondContact O-N 3.27Å
121E91.8Very high92Very high83 Ų8360.7 Ų60.739%0.38833%0.326SS..THydrogen-bonded Turntrans-61-25.2-176.564.9167.1-147.600113.5R113 R116 V117R113-E121 HydrophobicContact CG-CB 3.94Å; R113-E121 WeakPolarHBondContact CG-O 3.24Å; R116-E121 WeakPolarHBondContact CA-OE2 3.18Å; V117-E121 PolarHBondContact O-N 2.73Å
122S90.6Very high91.6Very high20 Ų2065.4 Ų65.414%0.1435%0.346CS..THydrogen-bonded Turntrans-91.9-1179.767.70000114.2E119 L120 K132 A133E119-S122 PolarHBondContact O-OG 2.7Å; L120-S122 PolarHBondContact O-N 3.43Å; L120-S122 VanDerWaalsContact O-N 3.11Å; S122-K132 WeakPolarHBondContact OG-CE 3.33Å; S122-A133 WeakPolarHBondContact O-CB 3.36Å; S122-A133 PolarHBondContact O-N 3.23Å
123L92.8Very high90.8Very high27 Ų2766.5 Ų66.514%0.14136%0.356CS..EExtended strand (participates in β ladder)trans-84.2151.3177.5-57-175.9000112L109 R113 L120 L130 V131 K132L109-L123 HydrophobicContact CD2-CB 3.61Å; R113-L123 PolarHBondContact NH1-O 2.99Å; L120-L123 HydrophobicContact CD2-CD1 3.61Å; L120-L123 WeakPolarHBondContact O-CB 3.27Å; L120-L123 PolarHBondContact O-N 3.27Å; L123-L130 HydrophobicContact CD1-CB 4.34Å; L123-L130 HydrophobicContact CD1-CD1 4.43Å; L123-V131 WeakPolarHBondContact CA-O 3.44Å; L123-K132 HydrophobicContact CD2-CB 3.72Å; L123-K132 HydrophobicContact CD2-CD 4.38Å; L123-K132 HydrophobicContact CD2-CG 3.94Å
124Q91.4Very high89.7Confident108 Ų10867.3 Ų67.351%0.50537%0.374SS..EExtended strand (participates in β ladder)trans-133.1151.4174-59.8-172.328.500109.9L130 V131 A133Q124-L130 WeakPolarHBondContact O-CA 3.29Å; Q124-V131 PolarHBondContact N-O 3.02Å; Q124-V131 PolarHBondContact O-N 3.38Å; Q124-A133 HydrophobicContact CG-CB 4.17Å; Q124-A133 VanDerWaalsContact NE2-CB 3.3Å
125L90.8Very high88.2Confident57 Ų5770.8 Ų70.830%0.29839%0.39SS..EExtended strand (participates in β ladder)trans-89.4105.7175.6-177.765.5000109.3Q102 A105 L109 K129 L130Q102-L125 HydrophobicContact CG-CD2 4.21Å; A105-L125 HydrophobicContact CB-CD1 4.18Å; A105-L125 HydrophobicContact CB-CD2 4.16Å; L109-L125 HydrophobicContact CD1-CB 4.23Å; L125-K129 WeakPolarHBondContact CA-O 3.4Å; L125-L130 HydrophobicContact CD1-CD2 4.27Å
126E89.9Confident86.4Confident132 Ų13274 Ų7462%0.61742%0.423SS*.EExtended strand (participates in β ladder)trans-125.4124.6179.8-173.9171.9-161.700109.9G128 K129 V131E126-G128 PolarHBondContact O-N 3.34Å; E126-G128 VanDerWaalsContact O-N 3.14Å; E126-K129 PolarHBondContact N-O 3.27Å; E126-K129 PolarHBondContact O-N 3.21Å; E126-V131 HydrophobicContact CB-CG2 4.13Å
127G84.9Confident84.7Confident86 Ų8681.1 Ų81.189%0.88745%0.45SS*.THydrogen-bonded Turntrans58.827178.700000115.1K129G127-K129 VanDerWaalsContact C-N 3.34Å
128G84.9Confident82.9Confident46 Ų4692.3 Ų92.347%0.47449%0.492SS..THydrogen-bonded Turntrans79.910.4-174.700000114.6E126E126-G128 PolarHBondContact O-N 3.34Å; E126-G128 VanDerWaalsContact O-N 3.14Å
129K86.8Confident81.5Confident156 Ų15696 Ų9668%0.67851%0.507SS*.EExtended strand (participates in β ladder)trans-120.9149.7177-61.7-171.5178.1-171.50111.2L125 E126 G127 V131L125-K129 WeakPolarHBondContact CA-O 3.4Å; E126-K129 PolarHBondContact N-O 3.27Å; E126-K129 PolarHBondContact O-N 3.21Å; G127-K129 VanDerWaalsContact C-N 3.34Å; K129-V131 HydrophobicContact CB-CG2 4.39Å; K129-V131 PolarHBondContact O-N 3.05Å
130L88.7Confident80.2Confident66 Ų6694.6 Ų94.635%0.34650%0.502SS..EExtended strand (participates in β ladder)trans-80.4116.2168.5-63.4-178.5000109.1V100 A105 L109 L123 Q124 L125V100-L130 HydrophobicContact CG2-CD1 4.32Å; A105-L130 HydrophobicContact CB-CD2 4.4Å; L109-L130 HydrophobicContact CD1-CD2 3.83Å; L109-L130 HydrophobicContact CD2-CD2 4.22Å; L109-L130 HydrophobicContact CG-CD2 4.17Å; L123-L130 HydrophobicContact CD1-CB 4.34Å; L123-L130 HydrophobicContact CD1-CD1 4.43Å; Q124-L130 WeakPolarHBondContact O-CA 3.29Å; L125-L130 HydrophobicContact CD1-CD2 4.27Å
131V89.6Confident78.8Confident58 Ų58103.8 Ų103.835%0.35254%0.537SS..EExtended strand (participates in β ladder)trans-119.2131.3-178.4-176.40000108.6L123 Q124 E126 K129 A133L123-V131 WeakPolarHBondContact CA-O 3.44Å; Q124-V131 PolarHBondContact N-O 3.02Å; Q124-V131 PolarHBondContact O-N 3.38Å; E126-V131 HydrophobicContact CB-CG2 4.13Å; K129-V131 HydrophobicContact CB-CG2 4.39Å; K129-V131 PolarHBondContact O-N 3.05Å; V131-A133 PolarHBondContact O-N 3.24Å
132K88.4Confident77.4Confident100 Ų100106.6 Ų106.644%0.43555%0.55SS..EExtended strand (participates in β ladder)trans-67.8121.5174.9-158.7156.9-168.7170.90108.3E119 S122 L123E119-K132 VanDerWaalsContact CD-NZ 3.29Å; E119-K132 IonicContact OE1-NZ 3.84Å; E119-K132 PolarHBondContact OE1-NZ 3.43Å; E119-K132 IonicContact OE2-NZ 3.88Å; E119-K132 PolarHBondContact OE2-NZ 3.23Å; S122-K132 WeakPolarHBondContact OG-CE 3.33Å; L123-K132 HydrophobicContact CD2-CB 3.72Å; L123-K132 HydrophobicContact CD2-CD 4.38Å; L123-K132 HydrophobicContact CD2-CG 3.94Å
133A79.4Confident75.9Confident24 Ų24110.7 Ų110.720%0.19858%0.577CS.*  trans-51.2135.8-174.100000109.9S122 Q124 V131 Q135S122-A133 WeakPolarHBondContact O-CB 3.36Å; S122-A133 PolarHBondContact O-N 3.23Å; Q124-A133 HydrophobicContact CG-CB 4.17Å; Q124-A133 VanDerWaalsContact NE2-CB 3.3Å; V131-A133 PolarHBondContact O-N 3.24Å; A133-Q135 VanDerWaalsContact C-N 3.27Å; A133-Q135 PolarHBondContact O-N 2.93Å
134P73Confident74.2Confident116 Ų116115.8 Ų115.875%0.75360%0.604SS**  trans-64.794.4173.926.5-33000108.1G136P134-G136 PolarHBondContact O-N 3.08Å
135Q63.5Low72.6Confident160 Ų160116.8 Ų116.875%0.74861%0.609SS**  trans-62.591.7171.4-72.5-166.84.200106.9A133 R137A133-Q135 VanDerWaalsContact C-N 3.27Å; A133-Q135 PolarHBondContact O-N 2.93Å; Q135-R137 PolarHBondContact O-N 2.88Å
136G59.1Low70.8Confident69 Ų69119.8 Ų119.871%0.71163%0.632SS**  trans-59.7101.5-17500000108.6P134 R138P134-G136 PolarHBondContact O-N 3.08Å; G136-R138 PolarHBondContact O-N 2.96Å
137R60.8Low68.7Low228 Ų228120.1 Ų120.186%0.8664%0.643SS**  trans-57.593164.8-75.5-170.1177.4-157.10.5106Q135 L139Q135-R137 PolarHBondContact O-N 2.88Å; R137-L139 PolarHBondContact O-N 3.33Å
138R59.1Low67.1Low239 Ų239121.4 Ų121.490%0.90264%0.638SS**  trans-73.872.1177.9-163.7179.5-164.6-112.512106.8G136 N140G136-R138 PolarHBondContact O-N 2.96Å; R138-N140 PolarHBondContact O-N 2.97Å; R138-N140 VanDerWaalsContact O-N 3.1Å
139L62.1Low65.6Low134 Ų134123.9 Ų123.970%0.70265%0.654SS**  trans-43120.4175.3-63.4-179.7000106.5R137 R141R137-L139 PolarHBondContact O-N 3.33Å; L139-R141 PolarHBondContact O-N 2.83Å
140N63.8Low63.9Low73 Ų73120.2 Ų120.239%0.3965%0.653SS.*  trans-61121.3-166.6-169.4-16.9000108.4R138 E142 C143R138-N140 PolarHBondContact O-N 2.97Å; R138-N140 VanDerWaalsContact O-N 3.1Å; N140-E142 PolarHBondContact ND2-OE1 3Å; N140-E142 PolarHBondContact ND2-OE2 3.43Å; N140-E142 PolarHBondContact O-N 3.49Å; N140-E142 VanDerWaalsContact O-N 3.12Å; N140-E142 WeakPolarHBondContact OD1-CB 3.28Å; N140-E142 VanDerWaalsContact OD1-CD 3.29Å; N140-E142 VanDerWaalsContact OD1-CG 3.29Å; N140-E142 WeakPolarHBondContact OD1-CG 3.33Å; N140-E142 PolarHBondContact OD1-N 3.05Å; N140-E142 VanDerWaalsContact OD1-N 3.1Å; N140-E142 PolarHBondContact OD1-OE1 2.61Å; N140-E142 VanDerWaalsContact OD1-OE1 3.08Å; N140-C143 VanDerWaalsContact O-CB 3.28Å; N140-C143 WeakPolarHBondContact O-CB 3.33Å; N140-C143 PolarHBondContact O-N 3.26Å
141R64Low61.9Low198 Ų198123 Ų12375%0.74768%0.675SS**G310 helixtrans-62-21.9-176.2-174.6173.6172.6-175.9-3.4111.6L139 C143 L144 Q145L139-R141 PolarHBondContact O-N 2.83Å; R141-C143 VanDerWaalsContact C-N 3.25Å; R141-C143 PolarHBondContact O-N 2.73Å; R141-L144 PolarHBondContact O-N 3.06Å; R141-L144 VanDerWaalsContact O-N 3.14Å; R141-Q145 WeakPolarHBondContact O-CG 3.33Å; R141-Q145 PolarHBondContact O-N 2.72Å
142E61.5Low59.9Low141 Ų141128 Ų12866%0.65970%0.698SS**G310 helixtrans-52.4-41.2166.8-66.4160.4-132.200112.2N140 L144 Q145N140-E142 PolarHBondContact ND2-OE1 3Å; N140-E142 PolarHBondContact ND2-OE2 3.43Å; N140-E142 PolarHBondContact O-N 3.49Å; N140-E142 VanDerWaalsContact O-N 3.12Å; N140-E142 WeakPolarHBondContact OD1-CB 3.28Å; N140-E142 VanDerWaalsContact OD1-CD 3.29Å; N140-E142 VanDerWaalsContact OD1-CG 3.29Å; N140-E142 WeakPolarHBondContact OD1-CG 3.33Å; N140-E142 PolarHBondContact OD1-N 3.05Å; N140-E142 VanDerWaalsContact OD1-N 3.1Å; N140-E142 PolarHBondContact OD1-OE1 2.61Å; N140-E142 VanDerWaalsContact OD1-OE1 3.08Å; E142-L144 PolarHBondContact O-N 2.71Å; E142-Q145 PolarHBondContact O-N 3.23Å
143C59.8Low57.9Low107 Ų107127.8 Ų127.872%0.72371%0.709SS**G310 helixtrans-71.1-10.7179.7-54.20000114.2N140 R141N140-C143 VanDerWaalsContact O-CB 3.28Å; N140-C143 WeakPolarHBondContact O-CB 3.33Å; N140-C143 PolarHBondContact O-N 3.26Å; R141-C143 VanDerWaalsContact C-N 3.25Å; R141-C143 PolarHBondContact O-N 2.73Å
144L56.2Low56.5Low134 Ų134131 Ų13170%0.70274%0.736SS**G310 helixtrans-114.73.9179.4-65.1178.3000113R141 E142R141-L144 PolarHBondContact O-N 3.06Å; R141-L144 VanDerWaalsContact O-N 3.14Å; E142-L144 PolarHBondContact O-N 2.71Å
145Q59.4Low55.2Low129 Ų129136 Ų13660%0.60374%0.74SS**SBendtrans-79125.5168.1-60.8-152.633.800109.3R141 E142 T147R141-Q145 WeakPolarHBondContact O-CG 3.33Å; R141-Q145 PolarHBondContact O-N 2.72Å; E142-Q145 PolarHBondContact O-N 3.23Å; Q145-T147 PolarHBondContact O-N 3.05Å; Q145-T147 VanDerWaalsContact O-N 3.08Å
146P51.4Low54.4Low120 Ų120134.8 Ų134.878%0.77974%0.743SS**  trans-66.3112.3169.827.6-32.1000108.4S148P146-S148 PolarHBondContact O-N 3.39Å
147T46.2Very low53.6Low139 Ų139137.9 Ų137.985%0.85375%0.748SS**  trans-49.4125.1176.2-52.80000109.7Q145 A149Q145-T147 PolarHBondContact O-N 3.05Å; Q145-T147 VanDerWaalsContact O-N 3.08Å; T147-A149 PolarHBondContact O-N 3.07Å
148S51.3Low52.3Low112 Ų112132.4 Ų132.478%0.78374%0.74SS**  trans-48.1130-173.1-174.10000111.7P146 A150P146-S148 PolarHBondContact O-N 3.39Å; S148-A150 VanDerWaalsContact C-N 3.33Å; S148-A150 PolarHBondContact O-N 3.26Å
149A54.3Low51.9Low99 Ų99126.9 Ų126.982%0.81874%0.735SS**  trans-71.480.3-166.200000113.1T147T147-A149 PolarHBondContact O-N 3.07Å
150A50.8Low50.5Low78 Ų78126 Ų12665%0.64574%0.74SS**  trans-73.8124.715900000108.9S148 I152S148-A150 VanDerWaalsContact C-N 3.33Å; S148-A150 PolarHBondContact O-N 3.26Å; A150-I152 PolarHBondContact O-N 2.95Å
151P46.9Very low49.2Very low126 Ų126130.7 Ų130.782%0.81876%0.759SS**  trans-71106.6179.827.8-33.4000110.1S153P151-S153 VanDerWaalsContact C-N 3.35Å; P151-S153 PolarHBondContact O-N 3.4Å
152I45.9Very low47.9Very low162 Ų162129 Ų12983%0.83176%0.759SS**  trans-67.594.2174.5-57.7178.8000108.6A150 A154A150-I152 PolarHBondContact O-N 2.95Å; I152-A154 PolarHBondContact O-N 3.12Å
153S47.8Very low47.4Very low96 Ų96126.9 Ų126.967%0.67176%0.758SS**  trans-68.2103.4170.1-171.60000108.6P151 R155P151-S153 VanDerWaalsContact C-N 3.35Å; P151-S153 PolarHBondContact O-N 3.4Å; S153-R155 PolarHBondContact O-N 3.18Å
154A49Very low46.1Very low92 Ų92130.2 Ų130.276%0.7676%0.762SS**  trans-64.394.9-179.600000111.1I152I152-A154 PolarHBondContact O-N 3.12Å
155R45.8Very low45Very low221 Ų221129.9 Ų129.983%0.83477%0.766SS**  trans-104.6100.4169.8-72.8-167.5173.4-159.9-2.5109.9S153 V157S153-R155 PolarHBondContact O-N 3.18Å; R155-V157 PolarHBondContact O-N 3.47Å
156V47.5Very low44.3Very low134 Ų134129.6 Ų129.681%0.81278%0.775SS**  trans-63.8123.9170.81770000109.5
157V41.1Very low43.4Very low133 Ų133131.4 Ų131.481%0.80678%0.778SS**  trans-136.7133.8157.8-175.60000107.7R155R155-V157 PolarHBondContact O-N 3.47Å
158T34.9Very low43.5Very low114 Ų114130.3 Ų130.370%0.69977%0.773SS**  trans-87.5161.2-177.136.30000112.5
159P49.6Very low42.5Very low123 Ų123129 Ų12980%0.79977%0.769SS**  trans-79.9158.3-171.532.9-37.2000113.7
160S33.8Very low41.3Very low116 Ų116130.4 Ų130.481%0.81177%0.768SS**  trans-147.8156.9166.747.80000110.5
161H36.6Very low40.3Very low170 Ų170137.8 Ų137.879%0.78778%0.779SS**  trans-96.4165.7-159.4-65.7-92.5000115
162H36Very low39.6Very low163 Ų163137.3 Ų137.376%0.75577%0.774SS**  trans-56.7-178.2161.3-7-83.4000112.5
163P51.7Low39.1Very low96 Ų96135.7 Ų135.762%0.62377%0.774SS**  cis-136.5-177.22.121.55.1000115.5
164H31.8Very low38.4Very low177 Ų177136.1 Ų136.182%0.81978%0.776SS**  trans142.9125.3130.4-76.7-67.4000116.4
165T33.5Very low38.7Very low127 Ų127137.1 Ų137.178%0.77977%0.774SS**  trans-73.5168.3156.914.40000111.1
166P43.9Very low38Very low123 Ų123134.8 Ų134.880%0.79978%0.778SS**  cis-146.5-173.142.142-20000118.7
167L32.5Very low36.9Very low158 Ų158132.5 Ų132.583%0.82778%0.781SS**  trans-77.1-171.6167.1-59173.9000110.3
168P48.3Very low36.7Very low116 Ų116130.7 Ų130.775%0.75378%0.78SS**  cis-145.6171.68.744.2-24.2000119.7
169A31Very low36.5Very low86 Ų86132.8 Ų132.871%0.71179%0.785SS**  trans25.6142.9142.900000123.6
170T28.3Very low35.9Very low127 Ų127136.8 Ų136.878%0.77978%0.784SS**  -167136.8108.616.20000116
171R30.6Very low35.8Very low234 Ų234137.5 Ų137.588%0.88378%0.778SS**  trans60.7114.5140.5-73.4176.4172.5-168.2-5.4123.5
172T30.8Very low35.9Very low116 Ų116137.1 Ų137.171%0.71277%0.774SS**  trans-52.1162.1141.32.80000113
173P37.4Very low36.1Very low127 Ų127134.7 Ų134.783%0.82578%0.776SS**  -136.1164.360.233-12.7000117.8
174C32.9Very low35.1Very low106 Ų106138.4 Ų138.472%0.71679%0.789SS**  trans-91.7-173.5173.1-53.40000110
175P55.6Low35Very low112 Ų112133.6 Ų133.673%0.72779%0.787SS**  cis-146.6-154.715.141.5-17.4000116.3
176L29Very low35Very low173 Ų173135.9 Ų135.991%0.90679%0.786SS**  trans89.8129.6165.3-69.4152.8000119.5
177G26Very low34.5Very low85 Ų85137.1 Ų137.188%0.87678%0.782SS**  trans114.294.115600000117.1
178A36.1Very low34.3Very low95 Ų95138.5 Ų138.579%0.78578%0.784SS**  trans-120135.516800000111
179I31.9Very low33.1Very low158 Ų158136.2 Ų136.281%0.8178%0.782SS**  trans-168.5125.6169.5-106149000112.5
180R36.4Very low33.5Very low208 Ų208138.8 Ų138.879%0.78579%0.791SS**  trans56.7162.6152.5-60.2176.5119.71763.8118.8
181L31.4Very low33.8Very low130 Ų130141.2 Ų141.268%0.68179%0.793SS**  cis-151.7139.138.5-69.9158.4000112.1
182K38.9Very low33.6Very low163 Ų163139.1 Ų139.171%0.70979%0.794SS**  67.5156.1109.4-54.6-175.6-178.8177.60116.7
183S39Very low33.4Very low112 Ų112139.4 Ų139.478%0.78379%0.791SS**  cis-162.3177.328.9-49.80000110.6
184L31.3Very low32.9Very low174 Ų174139.1 Ų139.191%0.91178%0.782SS**  cis179.9129.2-34.8174.663.7000111.3
185G29.7Very low32.6Very low75 Ų75144.9 Ų144.977%0.77379%0.789SS**  trans103.6159.1162.300000117.8
186K34.3Very low31.2Very low176 Ų176146.8 Ų146.877%0.76579%0.788SS**  cis-168.8130.8-4.4-179.5177.9-176.2-74.10112.5
187E32.4Very low31Very low149 Ų149145.4 Ų145.470%0.69678%0.782SS**  trans53.1163.4161.8-74.8168.5131.500120.1
188E29.5Very low31Very low186 Ų186145.1 Ų145.187%0.86977%0.771SS**  cis-139-176.38.4-147.6174.2137.900111.7
189G22.7Very low30.5Very low69 Ų69147 Ų14771%0.71177%0.768SS**  trans-91.7-156.4-17300000116.5
190P38.8Very low30.3Very low140 Ų140145.8 Ų145.891%0.90976%0.763SS**  cis-125.5-160.36.943.4-27.4000114.8
191Q35.1Very low30.1Very low177 Ų177143.2 Ų143.283%0.82776%0.764SS**  trans-100.9149.1-167.8177.5-1767.400114.1
192E27.4Very low30.1Very low191 Ų191142.1 Ų142.189%0.89377%0.768SS**  trans-128.7166.7164.9-156.5167.1-128.800112.3
193N26.3Very low29.5Very low121 Ų121138 Ų13865%0.64777%0.772SS**  trans-161.3141.8-155.7-178.119.1000111.8
194N25.5Very low29.1Very low121 Ų121138.9 Ų138.965%0.64777%0.772SS**  trans51.9118.3155.1-106.6-80.7000120.2
195R27.4Very low29Very low228 Ų228138.3 Ų138.386%0.8677%0.769SS**  177.6170.6106.5-101.5161.6179-173.1-1.6117.3
196Q26.9Very low29.1Very low151 Ų151142 Ų14271%0.70677%0.77SS**  trans-86.5175.7-172.4-52.2145.3-76.600113.9
197N24.1Very low28.9Very low145 Ų145141 Ų14178%0.77577%0.772SS**  trans102.3120.9143.7-71.2-8.6000121.3
198A25.3Very low28.8Very low79 Ų79142 Ų14265%0.65377%0.774SS**  80.2120.5123.600000121.7
199D26Very low28.7Very low135 Ų135143.3 Ų143.372%0.72277%0.771SS**  71.1123.6121.7-67.710.5000122.9
200N27.6Very low28.9Very low132 Ų132148.5 Ų148.571%0.70678%0.775SS**  61.9139.5127.3-65.9-45.6000119.2
201L32.6Very low28.3Very low154 Ų154146.3 Ų146.381%0.80677%0.768SS**  cis-151-178.76.7-94141.7000106.2
202S30.6Very low27.8Very low107 Ų107149.4 Ų149.475%0.74877%0.772SS**  cis-158.9159.813.8-152.70000110.2
203G27.7Very low27.6Very low77 Ų77144.7 Ų144.779%0.79477%0.766SS**  trans160.897.917200000114.5
204T30.4Very low27.6Very low129 Ų129145.1 Ų145.179%0.79178%0.777SS**  trans-104.1141.5-164.2-43.20000113.8
205L29.1Very low28.1Very low162 Ų162145 Ų14585%0.84878%0.782SS**  trans177.2165.6132.6-95.5165.1000113.9
206L31.2Very low27.9Very low152 Ų152140.7 Ų140.780%0.79678%0.782SS**  trans-144171.9-175.2-67.8177.1000109.4
207L29.4Very low27.8Very low155 Ų155141.2 Ų141.281%0.81279%0.789SS**  cis-114.4167.712-88.479.2000111.4
208K30.4Very low27.8Very low171 Ų171142.8 Ų142.874%0.74379%0.791SS**  cis92.797.129-160.7-168179.1-177.60116.6
209R29.2Very low27.8Very low213 Ų213146 Ų14680%0.80479%0.793SS**  trans74.1113.7150.2-85.7-164.5174.3174.70.6123
210K26.4Very low27.8Very low179 Ų179147.5 Ų147.578%0.77879%0.793SS**  75.589.9105.2-164.6178.2177.4178.50121
211A25.5Very low27.7Very low93 Ų93146.4 Ų146.477%0.76980%0.796SS**  70.1145.9115.500000124.3
212R24.5Very low27.4Very low242 Ų242144.7 Ų144.791%0.91380%0.796SS**  trans90.4116.2155.4-171.3177.1-74.5-112.42.3118.6
213A24.3Very low27.5Very low93 Ų93144.9 Ų144.977%0.76980%0.798SS**  trans59.9129.7152.300000120.6
214C24.7Very low28.5Very low130 Ų130147 Ų14788%0.87880%0.798SS**  trans-140.4159.2151.3-89.20000109.2
215P37.4Very low28.3Very low117 Ų117145.9 Ų145.976%0.7680%0.795SS**  trans-115.5-162.2-166.143.4-32.6000114.1
216T22.4Very low28.3Very low139 Ų139143 Ų14385%0.85379%0.789SS**  trans-30.6144.6170.2-40.50000116.4
217L24.1Very low28.3Very low162 Ų162144.5 Ų144.585%0.84879%0.791SS**  trans-123.7132.2176.2-166.4152.6000110.6
218Q24.7Very low28.2Very low177 Ų177141.6 Ų141.683%0.82778%0.784SS**  trans-145.8-176.6174-147.7-170.47.300109.2
219E26Very low28.2Very low146 Ų146142.7 Ų142.768%0.68279%0.792SS**  trans75.4155.2-169.9-52.8-163102.600114.6
220K24.7Very low27.9Very low168 Ų168135.8 Ų135.873%0.7379%0.786SS**  cis-144.1171.213.6-143.4138-169.71480113.8
221S26.8Very low28.8Very low109 Ų109132.9 Ų132.976%0.76279%0.786SS**  trans-104.4164.2-166.655.80000115.9
222S25.9Very low29Very low117 Ų117138.3 Ų138.382%0.81879%0.787SS**  trans-152.4167.2152.561.10000113
223S32Very low29.2Very low112 Ų112132.8 Ų132.878%0.78377%0.771SS**  trans-155.7-168.5-172.9-52.20000107.8
224P50.3Low29.4Very low121 Ų121133.9 Ų133.979%0.78676%0.764SS**  cis-144.9-156.88.744.8-23.1000116.1
225S25.7Very low29.8Very low105 Ų105135.3 Ų135.373%0.73476%0.755SS**  trans79.5145.3158.3152.20000118.6
226S29.8Very low29.5Very low103 Ų103135.9 Ų135.972%0.7275%0.752SS**  cis-165.4149.6-9.9-80.20000113.8
227H29.3Very low29.8Very low182 Ų182135 Ų13584%0.84374%0.742SS**  trans37.5127147.5-102.6-74.3000125.6
228S28.9Very low30.1Very low95 Ų95133.3 Ų133.366%0.66474%0.739SS**  107.9149.8119.279.10000123.8
229Q29.6Very low30.3Very low194 Ų194128.5 Ų128.591%0.90773%0.729SS**  trans81.8142.5161.7-56.7-169.27.100121.7
230G22.5Very low30.5Very low67 Ų67129.4 Ų129.469%0.69174%0.738SS**  trans-133.5-144.815900000107.4
231P46.4Very low30.6Very low118 Ų118128.6 Ų128.677%0.76674%0.742SS**  cis-132.8-145.2-12.937.2-14.6000111.6
232R29.9Very low31.6Very low208 Ų208127.8 Ų127.879%0.78573%0.734SS**  trans83.8152167.5-57.8-170.6-176.4-107.82.4116.6
233E28.8Very low31.6Very low125 Ų125128.1 Ų128.158%0.58473%0.731SS**  cis-165.1153.4-6.7-121.9177-142.200112.3
234N27.7Very low31.3Very low116 Ų116128.4 Ų128.462%0.6273%0.728SS**  trans65.1155.8145.9-73-32000119.6
235K33.9Very low30.1Very low160 Ų160130.6 Ų130.670%0.69673%0.732SS**  cis-166151.20.7-116170-177174.90111
236N30.5Very low30.2Very low130 Ų130130.7 Ų130.770%0.69573%0.733SS**  trans62.1155.3146.8-64.128.7000119.8
237D29Very low31Very low120 Ų120131.5 Ų131.564%0.64274%0.736SS**  cis-165.6148.7-16.7-115.1-56.4000111.6
238T29.8Very low31.6Very low126 Ų126128.8 Ų128.877%0.77373%0.734SS**  34.4131.8125.8-51.80000119.8
239A28.7Very low31.6Very low77 Ų77129.6 Ų129.664%0.63674%0.74SS**  cis-174.2164.315.700000116.2
240L31.2Very low31.5Very low164 Ų164128.2 Ų128.286%0.85974%0.738SS**  trans59.1110.1141-61.5166.7000124.6
241D25.8Very low31.7Very low151 Ų151135.4 Ų135.481%0.80775%0.746SS**  18.8166.6114.7-123.88.6000122.5
242P48.5Very low32Very low93 Ų93135.2 Ų135.260%0.60474%0.744SS**  cis-148.5177.9-1.248.1-29.7000120.1
243T25.2Very low32Very low123 Ų123130.2 Ų130.276%0.75574%0.741SS**  trans68.9145.8148.6-36.30000123.9
244V25.4Very low32.1Very low119 Ų119130.4 Ų130.472%0.72175%0.751SS**  trans143.4112.2130.5172.10000118.9
245L26.3Very low32.1Very low167 Ų167130.5 Ų130.587%0.87475%0.751SS**  trans71.5157.1145.6-70.5172.6000127.3
246S27.8Very low32Very low106 Ų106130 Ų13074%0.74175%0.749SS**  trans-94.3-166.5-179.3-30.90000113.2
247P45.8Very low32Very low121 Ų121132 Ų13279%0.78675%0.754SS**  cis-151.2-13243.937.4-8.6000115.6
248P42.7Very low32.6Very low125 Ų125133.7 Ų133.781%0.81276%0.762SS**  -119.3-157-78.434.2-13.4000116.7
249S28.9Very low32.7Very low112 Ų112135.3 Ų135.378%0.78377%0.765SS**  trans-121.2179-165.159.40000116.9
250L26.5Very low33.3Very low165 Ų165137.2 Ų137.286%0.86477%0.771SS**  trans-178.1165.9148-101165.6000115.4
251Y25.9Very low33.5Very low218 Ų218141.4 Ų141.486%0.85578%0.775SS**  trans-159.5-173.6-175.5-125.4-123.3000109.8
252P54.2Low33.9Very low113 Ų113144 Ų14473%0.73478%0.779SS**  cis-142.1-1502.546.4-25000115.9
253S28.9Very low33.6Very low104 Ų104147 Ų14773%0.72779%0.788SS**  trans85.8124.8164-154.20000118.7
254V30.7Very low34.2Very low129 Ų129151.3 Ų151.378%0.78279%0.791SS**  cis84.8129.635-1790000112
255D28.7Very low34.4Very low118 Ų118153.3 Ų153.363%0.63180%0.797SS**  cis-158.4163.742-158.915.2000118.3
256K31.6Very low34.7Very low150 Ų150150.3 Ų150.365%0.65279%0.79SS**  trans48.5141.4149.5-91171.6-151.174.40129.7
257H31Very low35Very low172 Ų172157.5 Ų157.580%0.79680%0.801SS**  trans80.8164.1147.1-76.4-58.8000123.6
258L40.8Very low34.2Very low155 Ų155157.5 Ų157.581%0.81280%0.804SS**  trans-128163.5-150.7-69.5169000116.1
259L32Very low34Very low160 Ų160161.3 Ų161.384%0.83881%0.807SS**  trans72.5160.4167.5-49.7-176000117.3
260P42.2Very low34.3Very low116 Ų116162 Ų16275%0.75381%0.809SS**  -127.5147.2-6036.1-23.3000111.5
261R34.8Very low34.4Very low252 Ų252159.7 Ų159.795%0.95181%0.807SS**  trans-134.6143.8-178.2-73-171.6170.1172.8-2114.9
262K33.7Very low35.1Very low206 Ų206154.9 Ų154.990%0.89680%0.802SS**  trans-75.9135.9-172.3-62173.6178.6177.50111.7
263I43.3Very low34Very low155 Ų155156.5 Ų156.580%0.79581%0.805SS**  trans-75.6137170.6-60.1174.9000109.6L265I263-L265 HydrophobicContact CG2-CG 4.49Å
264R36.1Very low34.1Very low215 Ų215159.7 Ų159.781%0.81181%0.812SS**  trans-122110175.7-92.6-84.4-67.1178.71.1108.7
265L30.5Very low34Very low161 Ų161159.8 Ų159.884%0.84382%0.817SS**  trans-87.3131.1172.9-66.6172.9000110.4I263I263-L265 HydrophobicContact CG2-CG 4.49Å
266S33.3Very low34Very low104 Ų104159.6 Ų159.673%0.72782%0.82SS**  trans-136.9117.8171.252.20000109.3
267R32.6Very low34Very low256 Ų256158.1 Ų158.197%0.96683%0.829SS**PPolyproline II helixtrans-99140.4172.4-71.1-171.5175.3-148.21.1110.3
268S30.8Very low34.2Very low121 Ų121159.2 Ų159.285%0.84683%0.831SS**PPolyproline II helixtrans-98.4148.2174.7-59.60000111
269K38.1Very low34.4Very low205 Ų205157.5 Ų157.589%0.89183%0.829SS**PPolyproline II helixtrans-101.1154.9172.5-66.4-177.1175.8-174.60111.1
270P34.3Very low34.5Very low127 Ų127155 Ų15583%0.82583%0.825SS**  trans-124.5155.1152.737.4-26.7000113.9
271S28.7Very low34.1Very low116 Ų116154.6 Ų154.681%0.81183%0.825SS**  trans-172.5165.816261.70000108
272P41Very low34Very low117 Ų117149.9 Ų149.976%0.7682%0.817SS**  cis-122.9-154.9-5.742.5-26.1000112.7
273D31.5Very low34.1Very low148 Ų148147.6 Ų147.679%0.79181%0.814SS**  trans-65.5161.2-170.1-46.8-99.6000118.3
274I29.7Very low33.5Very low170 Ų170146.6 Ų146.687%0.87282%0.821SS**  -168.8141.8126.1-96151.6000109.5
275C28.6Very low33Very low131 Ų131139.7 Ų139.789%0.88582%0.817SS**  trans-141.1150.8175.9-172.70000111.8
276T28.9Very low34.1Very low115 Ų115138.1 Ų138.171%0.70682%0.816SS**  trans-120.4124.3-162.652.40000115.5
277S32.2Very low33.9Very low119 Ų119138.4 Ų138.483%0.83282%0.818SS**  trans43.3130.9148.155.30000122.9
278K35Very low33.9Very low195 Ų195131.1 Ų131.185%0.84881%0.807SS**  trans-75.4172.7173-53.1174.1-179.7177.50114
279P44.3Very low34.2Very low118 Ų118132 Ų13277%0.76681%0.807SS**  -133.4129.698.38.514000113.6
280S34.7Very low34.6Very low108 Ų108127.9 Ų127.976%0.75580%0.801SS**  65.9133.287.5760000116.7
281S34.2Very low34.5Very low108 Ų108126.2 Ų126.276%0.75580%0.797SS**  cis-135.5-130.30.856.90000112.4
282I33.4Very low34.9Very low152 Ų152127 Ų12778%0.77980%0.797SS**  cis-134.9-134.611-39.6160.3000109.3
283L35.9Very low35.7Very low158 Ų158127.3 Ų127.383%0.82780%0.8SS**  trans-148.6152.6-179.4-59.399000113.7
284S30.1Very low35.7Very low134 Ų134123.7 Ų123.794%0.93780%0.798SS**  trans-176.5160.3134.4-82.70000114.1
285G26.3Very low36.7Very low71 Ų71125.5 Ų125.573%0.73279%0.794SS**  trans-170.3-160.117200000108.6
286P52.7Low37.3Very low127 Ų127130 Ų13083%0.82579%0.792SS**  cis-137.7-171.8-12.943.2-26.1000114.6
287S30Very low37.8Very low110 Ų110129.5 Ų129.577%0.76978%0.784SS**  trans72.2160.2158.1-146.70000117.3
288S31.7Very low37.7Very low104 Ų104135.7 Ų135.773%0.72779%0.79SS**  cis-150.41688.3-390000112.6
289V37.3Very low37.8Very low139 Ų139135.4 Ų135.484%0.84278%0.783SS**  trans-108150-179.4-157.80000113.8
290P46.8Very low37.2Very low119 Ų119135.8 Ų135.877%0.77378%0.775SS**  trans-135.9165.913118.72.9000112.3
291A31.2Very low37Very low91 Ų91141.1 Ų141.175%0.75278%0.778SS**  cis-164.7-177.8-14.600000109.6
292T38Very low37Very low132 Ų132139.7 Ų139.781%0.8177%0.769SS**  trans-143.7178.6172.760.30000111
293P58.1Low37Very low124 Ų124138.4 Ų138.481%0.80577%0.767SS**  -154.61599838.8-20.5000117.4
294G30.9Very low36.6Very low73 Ų73137.6 Ų137.675%0.75376%0.764SS**  trans-154.4-33.4-178.400000122.8
295R49.3Very low36.7Very low208 Ų208139 Ų13979%0.78575%0.753SS**  trans34.3118.6168.9-52.4179.4-174.6-91.22.1119.8
296R42.8Very low36.7Very low224 Ų224143 Ų14385%0.84575%0.753SS**  175.2168.986.4-106.7160.3-80.3-130.50.7111.9
297L39.6Very low35.6Very low106 Ų106141.1 Ų141.156%0.55575%0.748SS**  cis175.9125.7-43-159.6170.7000109.1R299L297-R299 HydrophobicContact CD2-CG 3.98Å
298W29.7Very low36.5Very low249 Ų249140.9 Ų140.994%0.94374%0.744SS**  trans-155.7170.7148.7-93.9111.9000110.9
299R37.5Very low36.3Very low189 Ų189144.7 Ų144.771%0.71375%0.75SS**  trans-148.2178.2-169-42.4170.5167.8-105.54.1109.2L297L297-R299 HydrophobicContact CD2-CG 3.98Å
300Q30.2Very low35.9Very low126 Ų126143.9 Ų143.959%0.58974%0.741SS**  cis-168.1157.9-3.6-139.8175.3-89.200110.1
301R31.5Very low35.2Very low219 Ų219145.9 Ų145.983%0.82674%0.737SS**  trans62.8166.3150.7-86.7-164.8156.5167.8-7.3120.3
302S33.7Very low35.2Very low79 Ų79149.4 Ų149.455%0.55274%0.743SS**  cis177.2146.5-43.558.70000114.3
303V33.4Very low35Very low124 Ų124152.1 Ų152.175%0.75274%0.743SS**  trans68.6148.7157.7-125.30000122
304N28.8Very low34.4Very low142 Ų142152.6 Ų152.676%0.75975%0.747SS**  trans82105154-67.8-23.2000121.6
305K31.7Very low34.3Very low162 Ų162152.7 Ų152.770%0.70475%0.747SS**  45151.8108-167.7168.6178-86.20120.9
306E26.7Very low33.4Very low157 Ų157152.6 Ų152.673%0.73475%0.747SS**  trans93.9151.7165.3-120.391.4-104.300117.4
307A28.8Very low33Very low86 Ų86145 Ų14571%0.71173%0.731SS**  trans-132.6-174.6176.800000107
308P48.2Very low32.7Very low106 Ų106145.2 Ų145.269%0.68874%0.742SS**  cis-137.8-159.16.243.6-23.4000114.1
309E28.6Very low33.8Very low183 Ų183138.7 Ų138.786%0.85573%0.732SS**  trans64.3162.6157.8-72179.7-17300118.8
310D28.3Very low33.6Very low122 Ų122136.2 Ų136.265%0.65273%0.732SS**  cis-161.6162.6-37.2-172.615.9000108.8
311K32.8Very low33.7Very low161 Ų161137.9 Ų137.970%0.774%0.74SS**  trans73.8129.6159.3-51.4-148179.5-174.30124
312L29.7Very low33.4Very low165 Ų165133.1 Ų133.186%0.86474%0.736SS**  trans92142131.9-80.4165.2000122.7
313K34.7Very low33.4Very low189 Ų189135.6 Ų135.682%0.82275%0.747SS**  trans-99.4168.2173.4-53.7176.6-179.5179.20110.1
314P46Very low33.8Very low135 Ų135135.5 Ų135.588%0.87775%0.749SS**  -144145.996.234.9-19000114.5
315G28.7Very low34.2Very low74 Ų74134 Ų13476%0.76375%0.75SS**  123.6-179.59500000111.4
316R29.7Very low34.9Very low207 Ų207132.8 Ų132.878%0.78176%0.758SS**  cis-166.792.1-17.2174-117.6156.9-99.11.8112.5
317A34.4Very low35Very low63 Ų63131.4 Ų131.452%0.52177%0.766SS.*  trans65.4125.3134.800000121.3
318S34Very low35Very low111 Ų111130.7 Ų130.778%0.77677%0.767SS**  84.217689.1-61.90000114.6
319P52.7Low34.2Very low113 Ų113134.4 Ų134.473%0.73478%0.78SS**  cis-106.4-166.2-3.331.3-10.1000112.3
320L32.2Very low34.1Very low137 Ų137129.4 Ų129.472%0.71778%0.778SS**  cis-143.4172.318.2-62.1153.6000107.9
321Q32.5Very low34.4Very low160 Ų160133.2 Ų133.275%0.74879%0.789SS**  cis-159.7-158.6-21.5-104.8178.5-22.800105.2
322T26.6Very low34.1Very low120 Ų120132.3 Ų132.374%0.73680%0.797SS**  cis-153.9-160.610.7-28.50000109.3
323T32.8Very low34Very low131 Ų131128.1 Ų128.180%0.80479%0.794SS**  trans-145.2173.8-178.2470000110.5
324P42Very low33.7Very low121 Ų121123.2 Ų123.279%0.78680%0.797SS**  cis-131.6-174.48.242.1-24.3000116.6
325S36.7Very low33.2Very low112 Ų112122.7 Ų122.778%0.78380%0.796SS**  trans-109168.6177.8-37.40000112.2
326P46.3Very low33.4Very low135 Ų135128.8 Ų128.888%0.87780%0.802SS**  -151.4-154.59142.2-22.8000115.2
327S30.3Very low33.7Very low128 Ų128128.8 Ų128.890%0.89581%0.807SS**  trans-113.3164.1-16353.50000116.4
328G27.6Very low33.4Very low71 Ų71137.4 Ų137.473%0.73283%0.826SS**  trans149.4130.116900000110.8
329L32.6Very low33.2Very low185 Ų185137.1 Ų137.197%0.96982%0.824SS**  cis69.79141.9-166.175.7000113.8
330G26.3Very low32.8Very low78 Ų78137.7 Ų137.780%0.80483%0.828SS**  trans-177.6116.7175.900000116.1
331K33.7Very low32.7Very low201 Ų201137.7 Ų137.787%0.87482%0.824SS**  trans-67.3172.2-176.8-54165.5178.2175.80115.9
332T27.2Very low32.5Very low142 Ų142136.9 Ų136.987%0.87183%0.83SS**  trans93.2135.4142.9-12.30000120.2
333G27.1Very low32.7Very low78 Ų78140.3 Ų140.380%0.80483%0.83SS**  trans86.8121.9161.800000115.2
334G28.5Very low32.5Very low85 Ų85138.3 Ų138.388%0.87683%0.826SS**  cis108.684.4-200000113.8
335S35.5Very low32.4Very low124 Ų124138.1 Ų138.187%0.86783%0.825SS**  trans-140.2145.2164.769.70000111.4
336K32.8Very low32.2Very low202 Ų202140 Ų14088%0.87883%0.826SS**  trans-91.9149.8-171.4-59.6170.3178.8175.70111.5
337K35.4Very low31.4Very low208 Ų208139.4 Ų139.490%0.90483%0.825SS**  trans-157.9104.9143.6-109.8157.3-171.91790113.1
338R28.7Very low31.4Very low244 Ų244142.3 Ų142.392%0.92183%0.825SS**  trans34.5119.4151.7-90.8-178.4173.9160.2-2.5120.7
339S30.6Very low31.6Very low104 Ų104144.5 Ų144.573%0.72783%0.829SS**  trans-61.2169.5140-33.10000111.2
340P42.8Very low31.5Very low126 Ų126140.5 Ų140.582%0.81882%0.822SS**  -121.5153.881.436.9-33.6000114.4
341E30.9Very low32.3Very low136 Ų136146.6 Ų146.664%0.63683%0.83SS**  trans-91.8135.4169.5-177-174.7139.600108.5R343E341-R343 IonicContact OE1-CZ 2.73Å; E341-R343 IonicContact OE1-NE 3.22Å; E341-R343 PolarHBondContact OE1-NE 3.49Å; E341-R343 IonicContact OE1-NH2 2.71Å; E341-R343 PolarHBondContact OE1-NH2 3.29Å
342V28.8Very low32.4Very low143 Ų143146.1 Ų146.187%0.86783%0.831SS**  trans-119.5126.9163.8176.70000107.1
343R29.9Very low32.9Very low193 Ų193142.4 Ų142.473%0.72882%0.821SS**PPolyproline II helixtrans-101.4128.7-169-177.8168.2-65.4-160.4-2.3111E341E341-R343 IonicContact OE1-CZ 2.73Å; E341-R343 IonicContact OE1-NE 3.22Å; E341-R343 PolarHBondContact OE1-NE 3.49Å; E341-R343 IonicContact OE1-NH2 2.71Å; E341-R343 PolarHBondContact OE1-NH2 3.29Å
344A29.4Very low33.5Very low89 Ų89148.2 Ų148.274%0.73683%0.827SS**PPolyproline II helixtrans-92.6130.2159.500000108.8
345P39.3Very low34.3Very low117 Ų117150.7 Ų150.776%0.7683%0.825SS**PPolyproline II helixtrans-86.3161.217335-33.7000112.2
346N31.8Very low35.2Very low151 Ų151147.4 Ų147.481%0.80781%0.811SS**PPolyproline II helixtrans-70.9160.9-174.3-38.3-20.1000113.2
347S30.1Very low36.4Very low122 Ų122148.5 Ų148.585%0.85381%0.809SS**  trans-148.7138.1145.7-720000109.8
348E30.4Very low37.4Very low190 Ų190142.3 Ų142.389%0.88879%0.788SS**  trans-87.9179.7168.5-49.5156122.300107.6
349S32.5Very low39.1Very low116 Ų116137 Ų13781%0.81177%0.772SS**  cis-157.2156.34.353.90000109.5
350A30.5Very low40.7Very low101 Ų101137.2 Ų137.284%0.83576%0.764SS**  trans-161.6147.8152.900000108.8
351E41.9Very low42.1Very low207 Ų207137.5 Ų137.597%0.96775%0.749SS**  trans-88.6127.9-173.1-59.3-175.1140.300112.2
352E36.2Very low44.2Very low190 Ų190137 Ų13789%0.88875%0.745SS**  trans-125.8137.4163.4-170.1166.6-151.900109.4Q354E352-Q354 PolarHBondContact O-N 3.25Å
353G38.2Very low46.1Very low65 Ų65133.7 Ų133.767%0.6772%0.722SS**  trans-63.4118.5-163.700000113.8V355G353-V355 PolarHBondContact O-N 3.2Å
354Q40Very low47Very low199 Ų199130.6 Ų130.693%0.9372%0.724SS**  trans-73.486.6-175.6-165173.734.800112.3E352 G356E352-Q354 PolarHBondContact O-N 3.25Å; Q354-G356 PolarHBondContact O-N 3.3Å
355V45.3Very low48.1Very low137 Ų137133.6 Ų133.683%0.8373%0.728SS**PPolyproline II helixtrans-62.3118179.1-1740000110.7G353G353-V355 PolarHBondContact O-N 3.2Å
356G53.3Low48.8Very low55 Ų55129.9 Ų129.957%0.56771%0.71SS**PPolyproline II helixtrans-63.7137.6-178.700000113Q354 V358Q354-G356 PolarHBondContact O-N 3.3Å; G356-V358 VanDerWaalsContact O-CG2 3.25Å; G356-V358 WeakPolarHBondContact O-CG2 3.49Å; G356-V358 PolarHBondContact O-N 3.5Å
357R57.5Low49.4Very low226 Ų226129.1 Ų129.185%0.85371%0.711SS**PPolyproline II helixtrans-68.7124.7174.9-65.3178.172.1-131.57.8109.7
358V58Low50.3Low77 Ų77126.2 Ų126.247%0.46769%0.69SS.*EExtended strand (participates in β ladder)trans-113.3143.9-175.9-147.20000110.5G356 V371 V372 Q373G356-V358 VanDerWaalsContact O-CG2 3.25Å; G356-V358 WeakPolarHBondContact O-CG2 3.49Å; G356-V358 PolarHBondContact O-N 3.5Å; V358-V371 HydrophobicContact CG1-CG1 3.36Å; V358-V372 WeakPolarHBondContact CG1-O 3.16Å; V358-Q373 HydrophobicContact CG1-CG 3.83Å
359K64.6Low52.4Low133 Ų133124.5 Ų124.558%0.57868%0.676SS**EExtended strand (participates in β ladder)trans-123.6120-174.5-158.8172.1-173.71750110.7V372 E374K359-V372 PolarHBondContact N-O 3.3Å; K359-V372 PolarHBondContact O-N 2.86Å; K359-E374 IonicContact NZ-OE1 3.23Å
360L63.8Low54.3Low108 Ų108122.5 Ų122.557%0.56565%0.654SS**EExtended strand (participates in β ladder)trans-81.3124.8176.5-65.7172.5000109.9W369 E370 V371L360-W369 HydrophobicContact CB-CE3 3.94Å; L360-W369 HydrophobicContact CD2-CB 4.32Å; L360-E370 WeakPolarHBondContact CA-O 3.43Å; L360-V371 HydrophobicContact CD2-CG2 3.8Å
361R72.4Confident56Low133 Ų133122.2 Ų122.250%0.50264%0.641SS.*EExtended strand (participates in β ladder)trans-108.5131.6167.666.7-178.9-177.5-152.8-1.7110.6I363 E370 V372R361-I363 PolarHBondContact O-N 3.01Å; R361-E370 HydrophobicContact CG-CB 3.86Å; R361-E370 IonicContact CZ-OE1 2.86Å; R361-E370 IonicContact CZ-OE2 3.66Å; R361-E370 PolarHBondContact N-O 3.07Å; R361-E370 IonicContact NE-OE1 3.78Å; R361-E370 IonicContact NE-OE2 3.4Å; R361-E370 PolarHBondContact NE-OE2 2.76Å; R361-E370 IonicContact NH2-OE1 2.72Å; R361-E370 PolarHBondContact NH2-OE1 2.87Å; R361-E370 IonicContact NH2-OE2 3.4Å; R361-E370 PolarHBondContact NH2-OE2 3.36Å; R361-E370 PolarHBondContact O-N 3Å; R361-V372 HydrophobicContact CG-CG2 4Å
362K74.5Confident57.2Low126 Ų126114.3 Ų114.355%0.54861%0.607SS.*EExtended strand (participates in β ladder)trans-75.2118.7174.7-168.2166.8-177.1169.70108.5W369K362-W369 HydrophobicContact CB-CD2 4.34Å; K362-W369 HydrophobicContact CB-CE3 3.8Å; K362-W369 HydrophobicContact CB-CH2 4Å; K362-W369 HydrophobicContact CB-CZ2 4.5Å; K362-W369 HydrophobicContact CB-CZ3 3.62Å; K362-W369 HydrophobicContact CD-CH2 4.14Å; K362-W369 HydrophobicContact CD-CZ2 4.14Å; K362-W369 HydrophobicContact CG-CE3 4.49Å; K362-W369 HydrophobicContact CG-CH2 4.42Å; K362-W369 HydrophobicContact CG-CZ2 4.48Å; K362-W369 HydrophobicContact CG-CZ3 4.43Å
363I68.1Low57.9Low73 Ų73112.7 Ų112.737%0.37460%0.6SS.*PPolyproline II helixtrans-71.8141173-60.2-178.3000108.2R361 G366 C368 E370R361-I363 PolarHBondContact O-N 3.01Å; I363-G366 PolarHBondContact O-N 2.81Å; I363-C368 PolarHBondContact N-O 2.64Å; I363-E370 HydrophobicContact CD1-CB 4.03Å; I363-E370 HydrophobicContact CG1-CB 4.1Å
364V49.2Very low58.4Low128 Ų128115 Ų11578%0.77659%0.593SS**THydrogen-bonded Turntrans-58.9140.9177.6-173.90000109.4G366V364-G366 VanDerWaalsContact C-N 3.35Å
365N51.9Low58.5Low152 Ų152110.9 Ų110.981%0.81358%0.584SS**THydrogen-bonded Turntrans77.56.4-164.7-53.3-14.6000116T367N365-T367 VanDerWaalsContact C-N 3.32Å; N365-T367 PolarHBondContact O-N 2.75Å
366G54.1Low58.3Low38 Ų38110.3 Ų110.339%0.39258%0.583SS.*SBendtrans76.3-1.813700000119.3I363 V364I363-G366 PolarHBondContact O-N 2.81Å; V364-G366 VanDerWaalsContact C-N 3.35Å
367T45.9Very low57.6Low135 Ų135115.4 Ų115.483%0.82860%0.596SS**SBendtrans-95.9-0.3-179.849.70000114.7N365N365-T367 VanDerWaalsContact C-N 3.32Å; N365-T367 PolarHBondContact O-N 2.75Å
368C47.9Very low56.5Low61 Ų61114.4 Ų114.441%0.41260%0.598SS.*  trans-151.5154177.750.10000113.2I363I363-C368 PolarHBondContact N-O 2.64Å
369W74.8Confident55.3Low154 Ų154118 Ų11858%0.58361%0.614SS**EExtended strand (participates in β ladder)trans-113.5140.7173.6-64.691.7000109.6L360 K362L360-W369 HydrophobicContact CB-CE3 3.94Å; L360-W369 HydrophobicContact CD2-CB 4.32Å; K362-W369 HydrophobicContact CB-CD2 4.34Å; K362-W369 HydrophobicContact CB-CE3 3.8Å; K362-W369 HydrophobicContact CB-CH2 4Å; K362-W369 HydrophobicContact CB-CZ2 4.5Å; K362-W369 HydrophobicContact CB-CZ3 3.62Å; K362-W369 HydrophobicContact CD-CH2 4.14Å; K362-W369 HydrophobicContact CD-CZ2 4.14Å; K362-W369 HydrophobicContact CG-CE3 4.49Å; K362-W369 HydrophobicContact CG-CH2 4.42Å; K362-W369 HydrophobicContact CG-CZ2 4.48Å; K362-W369 HydrophobicContact CG-CZ3 4.43Å
370E72Confident54Low74 Ų74117.2 Ų117.235%0.34663%0.626SS.*EExtended strand (participates in β ladder)trans-106.3130.1177.4-165.3-176.716900110.5L360 R361 I363 V372L360-E370 WeakPolarHBondContact CA-O 3.43Å; R361-E370 HydrophobicContact CG-CB 3.86Å; R361-E370 IonicContact CZ-OE1 2.86Å; R361-E370 IonicContact CZ-OE2 3.66Å; R361-E370 PolarHBondContact N-O 3.07Å; R361-E370 IonicContact NE-OE1 3.78Å; R361-E370 IonicContact NE-OE2 3.4Å; R361-E370 PolarHBondContact NE-OE2 2.76Å; R361-E370 IonicContact NH2-OE1 2.72Å; R361-E370 PolarHBondContact NH2-OE1 2.87Å; R361-E370 IonicContact NH2-OE2 3.4Å; R361-E370 PolarHBondContact NH2-OE2 3.36Å; R361-E370 PolarHBondContact O-N 3Å; I363-E370 HydrophobicContact CD1-CB 4.03Å; I363-E370 HydrophobicContact CG1-CB 4.1Å; E370-V372 PolarHBondContact O-N 2.72Å
371V66.5Low52.6Low96 Ų96121.3 Ų121.358%0.58264%0.642SS**EExtended strand (participates in β ladder)trans-85.3103.7-179.5-178.60000108.9V358 L360V358-V371 HydrophobicContact CG1-CG1 3.36Å; L360-V371 HydrophobicContact CD2-CG2 3.8Å
372V67.9Low50.5Low41 Ų41122.9 Ų122.925%0.24866%0.66CS.*EExtended strand (participates in β ladder)trans-101.3115.2175.8-174.80000109.5V358 K359 R361 E370V358-V372 WeakPolarHBondContact CG1-O 3.16Å; K359-V372 PolarHBondContact N-O 3.3Å; K359-V372 PolarHBondContact O-N 2.86Å; R361-V372 HydrophobicContact CG-CG2 4Å; E370-V372 PolarHBondContact O-N 2.72Å
373Q50.1Low48.5Very low156 Ų156121.6 Ų121.673%0.72967%0.667SS**EExtended strand (participates in β ladder)trans-81.5123.4164.2-69.1178.80.200108.6V358V358-Q373 HydrophobicContact CG1-CG 3.83Å
374E47.9Very low47.1Very low114 Ų114124 Ų12453%0.53369%0.688SS.*PPolyproline II helixtrans-84.7131.3167.2-70.4174.6-179.400108K359K359-E374 IonicContact NZ-OE1 3.23Å
375P42.6Very low46.1Very low112 Ų112127.1 Ų127.173%0.72769%0.694SS**PPolyproline II helixtrans-65.6147175.828.3-34.3000110.3L377P375-L377 PolarHBondContact O-N 3.01Å
376P42.3Very low45.2Very low125 Ų125126.5 Ų126.581%0.81269%0.689SS**PPolyproline II helixtrans-61.8132.5-174.124.1-33.7000112K378P376-K378 PolarHBondContact O-N 2.99Å; P376-K378 VanDerWaalsContact O-N 3.16Å
377L38.1Very low44.5Very low162 Ų162130.8 Ų130.885%0.84871%0.71SS**  trans-62.9113.5177.4-72.5167.4000110.3P375 N379P375-L377 PolarHBondContact O-N 3.01Å; L377-N379 PolarHBondContact O-N 2.98Å
378K34.8Very low43.8Very low204 Ų204130.6 Ų130.689%0.88770%0.704SS**  trans-72.296.1169.2-71.4-171.9176-174.60109.5P376 S380P376-K378 PolarHBondContact O-N 2.99Å; P376-K378 VanDerWaalsContact O-N 3.16Å; K378-S380 PolarHBondContact O-N 2.72Å
379N31.7Very low43.7Very low153 Ų153133.4 Ų133.482%0.81872%0.721SS**  trans-63.4118.5168.6-73.5-15.3000109.5L377 Q381L377-N379 PolarHBondContact O-N 2.98Å; N379-Q381 PolarHBondContact O-N 2.74Å
380S37.1Very low41.4Very low117 Ų117129.7 Ų129.782%0.81873%0.731SS**  trans-95.489.8-173.958.10000112K378K378-S380 PolarHBondContact O-N 2.72Å
381Q34.8Very low39.2Very low193 Ų193129.9 Ų129.990%0.90275%0.752SS**  trans-160.494.1160.6-131.1176.1-3.600113.1N379N379-Q381 PolarHBondContact O-N 2.74Å
382D28.7Very low37.4Very low167 Ų167132 Ų13289%0.89376%0.76SS**  -159.1165121.3-146.3-17.9000110.5
383S32.3Very low35.6Very low99 Ų99138.7 Ų138.769%0.69279%0.787SS**  trans-161.2124.5-179.81800000113.4
384P37.7Very low34.6Very low123 Ų123139.2 Ų139.280%0.79979%0.789SS**  trans-106.8165.1157.413.76.8000112.5
385Q28.3Very low33.5Very low194 Ų194142.1 Ų142.191%0.90780%0.803SS**  trans-93.8169.9-167.6-64.3-174.5-9.600115.1
386I33.5Very low33.4Very low138 Ų138141.4 Ų141.471%0.70880%0.798SS**  trans-66164.2175.9-15.3179.4000111.9
387P39.1Very low32.6Very low128 Ų128140.6 Ų140.683%0.83180%0.795SS**  -129.4153.197.47.214.4000116.2
388D31.2Very low31.9Very low132 Ų132135.9 Ų135.971%0.70679%0.786SS**  trans-59.3175173.2-94.3-64.9000115.6
389P46Very low31.6Very low120 Ų120132.5 Ų132.578%0.77978%0.782SS**  cis-141157.220.839.2-19.8000120.3
390G26.1Very low31.4Very low76 Ų76133.3 Ų133.378%0.78478%0.781SS**  89134.912800000119.4
391G27.3Very low31.6Very low77 Ų77132.2 Ų132.279%0.79477%0.771SS**  trans164.736.7176.600000118.5
392D28.3Very low31.1Very low140 Ų140132.1 Ų132.175%0.74977%0.768SS**  trans25.9117.7156.1-72.4-17.4000122.3
393F28.9Very low31Very low183 Ų183128.7 Ų128.780%0.80376%0.757SS**  trans69.2115.1134-77.1-78.6000122.9
394Q30Very low30.6Very low166 Ų166129.1 Ų129.178%0.77676%0.76SS**  10691.1116.6-159.4161.614.800120.6
395E24.9Very low30.1Very low176 Ų176129.3 Ų129.382%0.82275%0.754SS**  trans-49.3136.9139.7167.9174.4-154.300110.5
396P40.8Very low30.1Very low97 Ų97128 Ų12863%0.6375%0.748SS**  -152.7144.490.641.9-22.1000120
397S24.9Very low29.8Very low108 Ų108129.2 Ų129.276%0.75575%0.751SS**  trans39.2133134.374.90000121.9
398G23.8Very low29.3Very low63 Ų63129.5 Ų129.565%0.64974%0.741SS**  127.1121.9108.900000118.1
399T27.5Very low29Very low133 Ų133130.8 Ų130.882%0.81675%0.745SS**  trans62.698.2136.5-450000118.4
400Q28.3Very low28.1Very low169 Ų169130.4 Ų130.479%0.7975%0.745SS**  37.1151.7108-61.2-74.7-9.900119.1
401P41.8Very low28.2Very low95 Ų95131.8 Ų131.862%0.61774%0.743SS**  cis-144.2-172.1-1.926.50.8000116.1
402F23Very low28.3Very low191 Ų191133.5 Ų133.584%0.83874%0.738SS**  trans79.3134.5147.5-84.8-63.2000124.7
403S27.4Very low28.5Very low95 Ų95135.6 Ų135.666%0.66474%0.736SS**  trans64.3104.9141.865.70000123
404S24.2Very low28.8Very low107 Ų107133.5 Ų133.575%0.74873%0.731SS**  70.5126.6111.2-57.20000123.2
405N26.8Very low28.9Very low127 Ų127131 Ų13168%0.67972%0.72SS**  trans78114.7149.1-68.550.2000121.1
406E29.1Very low29.2Very low166 Ų166129.8 Ų129.878%0.77672%0.718SS**  56.6115.5125.6-58.3171133.600120.2
407Q26.4Very low28.7Very low165 Ų165129.8 Ų129.877%0.77172%0.719SS**  161.7129.993.8-172.1155.512.300113.9
408E28.5Very low29.1Very low134 Ų134131.4 Ų131.463%0.62672%0.715SS**  trans29.7129.9151.9-68.4176116.400125.7
409M24.9Very low29.2Very low158 Ų158134.8 Ų134.878%0.77872%0.718SS**  92.3144125.5-79.2-178.3-169.700124.5
410S26.8Very low29.5Very low112 Ų112132.4 Ų132.478%0.78371%0.707SS**  trans68.5110.4160.964.70000117.7
411S28.3Very low30.3Very low106 Ų106129.7 Ų129.774%0.74170%0.704SS**  94.1147.881.4-139.90000110.8
412T28.8Very low29.6Very low113 Ų113131.4 Ų131.469%0.69371%0.712SS**  cis-163151.432.2-17.80000110.3
413R34.2Very low29.7Very low184 Ų184127.9 Ų127.969%0.69471%0.71SS**  trans58.8140.6132.1-126.9-178.6167.6-171.7-10.2120E415R413-E415 WeakPolarHBondContact CD-OE1 3.41Å; R413-E415 WeakPolarHBondContact CG-OE1 3.16Å; R413-E415 IonicContact CZ-OE1 3.59Å; R413-E415 IonicContact CZ-OE2 3.37Å; R413-E415 VanDerWaalsContact NE-CD 3.29Å; R413-E415 IonicContact NE-OE1 3.17Å; R413-E415 PolarHBondContact NE-OE1 3.08Å; R413-E415 IonicContact NE-OE2 3.67Å; R413-E415 PolarHBondContact NE-OE2 2.83Å; R413-E415 IonicContact NH2-OE1 3.59Å; R413-E415 IonicContact NH2-OE2 2.73Å; R413-E415 PolarHBondContact NH2-OE2 3.43Å
414I33.4Very low29.8Very low138 Ų138129.1 Ų129.171%0.70871%0.714SS**  -161.6131.656.5-94.4170.5000106.9
415E31.9Very low30.1Very low115 Ų115134.4 Ų134.454%0.53772%0.717SS.*  63.9146.673.4-76.1162-126.100112.6R413R413-E415 WeakPolarHBondContact CD-OE1 3.41Å; R413-E415 WeakPolarHBondContact CG-OE1 3.16Å; R413-E415 IonicContact CZ-OE1 3.59Å; R413-E415 IonicContact CZ-OE2 3.37Å; R413-E415 VanDerWaalsContact NE-CD 3.29Å; R413-E415 IonicContact NE-OE1 3.17Å; R413-E415 PolarHBondContact NE-OE1 3.08Å; R413-E415 IonicContact NE-OE2 3.67Å; R413-E415 PolarHBondContact NE-OE2 2.83Å; R413-E415 IonicContact NH2-OE1 3.59Å; R413-E415 IonicContact NH2-OE2 2.73Å; R413-E415 PolarHBondContact NH2-OE2 3.43Å
416L32.3Very low30Very low150 Ų150134.2 Ų134.279%0.78572%0.715SS**  cis-161.1144.88.1-156.968.6000105.4
417C29.7Very low30.3Very low97 Ų97133.9 Ų133.966%0.65571%0.714SS**  cis-156.8-164.6-3.6-121.30000106.5
418Q34.2Very low30.2Very low142 Ų142133.3 Ų133.366%0.66472%0.716SS**  cis-141.3-1373.6-134.9-36.276.700106.7
419D26.2Very low30.1Very low133 Ų133134.1 Ų134.171%0.71172%0.723SS**  cis-162.9-163.1-9.6-119.9-22.8000106.5
420S32.5Very low30.2Very low83 Ų83134.2 Ų134.258%0.5873%0.726SS**  -167.6153.4-78.5177.40000108.8
421P45.8Very low30.2Very low113 Ų113134.2 Ų134.273%0.73472%0.721SS**  cis-109143.23.24.620.6000113.9
422V26.4Very low30.1Very low130 Ų130134.5 Ų134.579%0.78872%0.723SS**  70.4125.985.3177.20000113.4
423C26.6Very low29.9Very low118 Ų118133.7 Ų133.780%0.79773%0.728SS**  cis-142.2176.112.4-149.60000113.8
424T29.2Very low29.4Very low120 Ų120129.8 Ų129.874%0.73673%0.729SS**  trans-134.1153.5-169.355.40000115.8
425R29.3Very low29Very low219 Ų219131.7 Ų131.783%0.82674%0.735SS**  trans76.6139.1141.2-87.2-178.4167.1-154.8-2.2122.4
426L26.3Very low28.8Very low122 Ų122131.7 Ų131.764%0.63975%0.747SS**  trans64.5117.7139-64.8169.5000121.9
427Q34.5Very low29.3Very low160 Ų160129.7 Ų129.775%0.74874%0.743SS**  trans18.4127.3130.9-57.6-178.299.800119.6
428D25.3Very low29.1Very low153 Ų153132 Ų13282%0.81875%0.749SS**  -178.5177.7104.3-97.1-29.3000113
429I26.1Very low28.8Very low150 Ų150132.7 Ų132.777%0.76975%0.752SS**  trans80.590162-41.4-171.5000119.6
430L26.2Very low29.6Very low160 Ų160132.2 Ų132.284%0.83876%0.756SS**  48.1149.1107-143.778000123
431V26.4Very low29.3Very low112 Ų112133.8 Ų133.868%0.67976%0.762SS**  trans102.895.5155.4-170.50000119.4
432S27.2Very low28.4Very low112 Ų112135.5 Ų135.578%0.78377%0.77SS**  50.9155.7124.7-49.10000125.2
433A24.3Very low28.4Very low96 Ų96136.9 Ų136.979%0.79377%0.765SS**  trans76.3149.4163.100000117.3
434S23.7Very low28.4Very low103 Ų103137.1 Ų137.172%0.7277%0.768SS**  cis-166.6154.1-15.445.50000112.7
435H25Very low28.3Very low178 Ų178137.2 Ų137.282%0.82476%0.761SS**  trans4.2133.9159.3-55.1-84.6000123
436S28Very low28.2Very low114 Ų114136.7 Ų136.780%0.79776%0.764SS**  trans66.8173.4139.1-89.90000119
437P42.4Very low28.2Very low109 Ų109134.1 Ų134.171%0.70877%0.767SS**  cis-113.4-161.71.245.4-33.3000112.3
438D26.5Very low27.9Very low144 Ų144132.5 Ų132.577%0.7777%0.774SS**  cis-155.5-176.62.8-143.3-36.1000111.7
439H27.6Very low28Very low157 Ų157130.5 Ų130.573%0.72777%0.772SS**  trans-111.6162.8167.7-73.2-77.7000112.3V441H439-V441 HydrophobicContact CB-CG2 4.35Å
440P42.5Very low28.5Very low123 Ų123128.7 Ų128.780%0.79977%0.77SS**  -136140.589.523.4-3.5000112.7
441V25.8Very low28.3Very low116 Ų116128.8 Ų128.870%0.70377%0.766SS**  69.69962.6-1790000114.7H439H439-V441 HydrophobicContact CB-CG2 4.35Å
442V26.7Very low28.4Very low150 Ų150129.9 Ų129.991%0.90977%0.768SS**  trans-139.6146.9137.8179.10000107.5
443K27.4Very low28.3Very low159 Ų159129.8 Ų129.869%0.69176%0.762SS**  trans-103.5154.5-177.3-63.8179.9162.3-150.90113.1E445K443-E445 IonicContact NZ-OE1 2.79Å; K443-E445 PolarHBondContact NZ-OE1 2.94Å
444S26.2Very low28.3Very low123 Ų123131.9 Ų131.986%0.8676%0.755SS**  -148.7151.2129.2-1680000109.6
445E26.4Very low28.6Very low122 Ų122134.8 Ų134.857%0.5776%0.755SS**  trans-113.5-173.3-172-67.4164.3-177.900111.1K443K443-E445 IonicContact NZ-OE1 2.79Å; K443-E445 PolarHBondContact NZ-OE1 2.94Å
446F27Very low28.8Very low207 Ų207133.7 Ų133.791%0.90875%0.75SS**  trans75.8127.1-179-51.9-83.5000116.8
447G26.4Very low29.1Very low68 Ų68134.2 Ų134.270%0.70175%0.751SS**  cis168.2164.3-9.700000114.7
448S28.6Very low28.2Very low126 Ų126135.4 Ų135.488%0.88175%0.748SS**  trans75.9103162.9-49.80000120.1
449S27.8Very low28.4Very low112 Ų112137.3 Ų137.378%0.78376%0.758SS**  trans-80.4164.2137.9-46.10000109
450P36.4Very low28.4Very low112 Ų112133.3 Ų133.373%0.72775%0.752SS**  -124168.662.738.5-24.6000112.9
451E22.9Very low27.8Very low162 Ų162135.7 Ų135.776%0.75776%0.756SS**  62.5135.251.9-100.6-168.4135.900112.1
452L27.1Very low28Very low135 Ų135137.1 Ų137.171%0.70776%0.759SS**  cis-156.7171.621.4-105.8174.6000112
453V26Very low28.1Very low109 Ų109135.6 Ų135.666%0.66175%0.754SS**  trans68.7115.8147.9155.70000117.6
454E24.3Very low28.2Very low141 Ų141139.6 Ų139.666%0.65977%0.765SS**  64.9143.474.6-73.5-163137.700114
455K29.3Very low28.4Very low164 Ų164142.5 Ų142.571%0.71377%0.765SS**  cis-158.5171.725.3-138.2167.3-176.378.70112.6
456E30.5Very low28.8Very low155 Ų155142.3 Ų142.372%0.72478%0.775SS**  trans-69.3175.6171.8-150.2-170.412100113.2M458E456-M458 VanDerWaalsContact OE1-CA 3.31Å; E456-M458 WeakPolarHBondContact OE1-CA 3.44Å; E456-M458 PolarHBondContact OE1-N 3.44Å
457P32.2Very low28.8Very low124 Ų124142.6 Ų142.681%0.80577%0.771SS**  -145.8110.7112.635.9-19.8000116.5
458M24.6Very low29Very low134 Ų134143.6 Ų143.666%0.6677%0.773SS**  54.9100109.4-165.7-178.6-170.400117.8E456 A460E456-M458 VanDerWaalsContact OE1-CA 3.31Å; E456-M458 WeakPolarHBondContact OE1-CA 3.44Å; E456-M458 PolarHBondContact OE1-N 3.44Å; M458-A460 HydrophobicContact CE-CB 4.07Å; M458-A460 HydrophobicContact CG-CB 4.47Å
459L30.5Very low29.2Very low185 Ų185146.5 Ų146.597%0.96977%0.77SS**  trans-121.697137.9-79.1-179.9000109
460A28.1Very low29.2Very low72 Ų72147.2 Ų147.260%0.59577%0.765SS**  trans-92.8133.4172.200000110.5M458M458-A460 HydrophobicContact CE-CB 4.07Å; M458-A460 HydrophobicContact CG-CB 4.47Å
461I30.5Very low29.2Very low173 Ų173148.3 Ų148.389%0.88777%0.77SS**  trans-149.1128.4146.8-96.1147.6000105.8
462D28.8Very low29.7Very low146 Ų146144.3 Ų144.378%0.78176%0.764SS**  trans-99.3-156.6178.6-165.8-7.8000109.1
463C28.6Very low30.3Very low118 Ų118146 Ų14680%0.79777%0.773SS**  trans89.568173.3-57.30000116.3E465C463-E465 PolarHBondContact O-N 2.99Å
464R30.7Very low30.7Very low243 Ų243148.7 Ų148.792%0.91778%0.783SS**  trans-43.4119140.8171.6-162.3-169.2-135.58.2112.5
465E29.2Very low31.1Very low184 Ų184151.1 Ų151.186%0.8679%0.794SS**  trans-147.2162.5156.4-101-156.8139.700111.5C463C463-E465 PolarHBondContact O-N 2.99Å
466P34.8Very low31Very low119 Ų119152.2 Ų152.277%0.77380%0.802SS**  trans-89.6146.3-157.634.1-36.2000115.1
467Y27.9Very low31.1Very low212 Ų212151 Ų15183%0.83181%0.807SS**  trans-91.4114.3171.1-152.7-91.9000110.9
468A29.5Very low30.9Very low89 Ų89151.1 Ų151.174%0.73681%0.81SS**PPolyproline II helixtrans-87.3134.2172.500000110.4
469F32.6Very low31.3Very low187 Ų187154 Ų15482%0.8282%0.822SS**PPolyproline II helixtrans-79.9124.8172.2-112.8-92.9000110.2
470D28.2Very low31.6Very low127 Ų127150.2 Ų150.268%0.67982%0.817SS**PPolyproline II helixtrans-85.6119.4176.9-170-12.5000110.4A472D470-A472 WeakPolarHBondContact OD1-CB 3.22Å; D470-A472 PolarHBondContact OD1-N 2.98Å
471T36.3Very low31.8Very low136 Ų136154.6 Ų154.683%0.83483%0.825SS**  trans-94.411.6-176.555.90000113.6L473T471-L473 PolarHBondContact O-N 3.01Å
472A34.8Very low32.2Very low78 Ų78154.7 Ų154.765%0.64582%0.822SS**  trans-86.15.3-169.700000116.9D470D470-A472 WeakPolarHBondContact OD1-CB 3.22Å; D470-A472 PolarHBondContact OD1-N 2.98Å
473L38Very low32.4Very low169 Ų169157.6 Ų157.689%0.88582%0.823SS**SBendtrans-112.927.2-170.4-79.2174.7000115.9T471T471-L473 PolarHBondContact O-N 3.01Å
474L34.9Very low32.7Very low167 Ų167162.3 Ų162.387%0.87482%0.824SS**  trans-143.349.2179.2-128.8162.9000115.1
475E32.2Very low32.9Very low192 Ų192157.7 Ų157.790%0.89782%0.816SS**  trans-117.5100.5162.2-75.1-161.1145.600112.1
476Q28.2Very low33.5Very low187 Ų187154.1 Ų154.187%0.87481%0.807SS**  trans-136.3131.5147.1-79-158.1-106.100108.8
477P32.4Very low34.2Very low129 Ų129154 Ų15484%0.83881%0.809SS**PPolyproline II helixtrans-81.3129-176.531.2-33.7000111.9
478C28.5Very low35Very low127 Ų127147.4 Ų147.486%0.85880%0.798SS**PPolyproline II helixtrans-84.5153.6158.3-71.90000110.4
479E33.1Very low35.8Very low195 Ų195145.5 Ų145.591%0.91178%0.783SS**PPolyproline II helixtrans-71.4146.3-175.4-60.4-175.6129.700111.9E481E479-E481 PolarHBondContact O-N 3.1Å
480A35.4Very low36.6Very low105 Ų105138.9 Ų138.987%0.86876%0.763SS**  trans-87.6103.1-174.900000111.7
481E34Very low37.6Very low164 Ų164137 Ų13777%0.76676%0.756SS**  trans-85.7134.9166.3-72.1-169.2114.300111.5E479 Y483E479-E481 PolarHBondContact O-N 3.1Å; E481-Y483 WeakPolarHBondContact O-CD2 3.33Å; E481-Y483 PolarHBondContact O-N 3.42Å
482E37.5Very low38.6Very low175 Ų175133.6 Ų133.682%0.81874%0.738SS**  trans-81.581.9-167.3-170.2-178.1-138.400111.8R484E482-R484 PolarHBondContact O-N 2.99Å
483Y33.5Very low39.7Very low206 Ų206135.4 Ų135.481%0.80873%0.733SS**  trans-63.1103.8177.5-82.9-86.7000112.4E481 I485E481-Y483 WeakPolarHBondContact O-CD2 3.33Å; E481-Y483 PolarHBondContact O-N 3.42Å; Y483-I485 PolarHBondContact O-N 3.18Å; Y483-I485 VanDerWaalsContact O-N 3.1Å
484R35.5Very low40.6Very low218 Ų218132.4 Ų132.482%0.82372%0.717SS**  trans-68.7101.8164.7-65.9-177.2-176.3173.92.7109.3E482 T486E482-R484 PolarHBondContact O-N 2.99Å; R484-T486 PolarHBondContact O-N 3.1Å
485I35.4Very low41.9Very low146 Ų146129 Ų12975%0.74970%0.697SS**  trans-62.4106.4176.4-56.2173.7000109.3Y483Y483-I485 PolarHBondContact O-N 3.18Å; Y483-I485 VanDerWaalsContact O-N 3.1Å
486T40.3Very low43.3Very low108 Ų108126.2 Ų126.266%0.66368%0.684SS**  trans-80.8141.8162.947.50000109.1R484 A488 A489R484-T486 PolarHBondContact O-N 3.1Å; T486-A488 PolarHBondContact O-N 3.08Å; T486-A489 PolarHBondContact O-N 3.25Å
487S49.8Very low44.9Very low116 Ų116121.6 Ų121.681%0.81166%0.664SS**THydrogen-bonded Turntrans-64.90.5-163.2-38.50000116.7
488A45.5Very low46.2Very low74 Ų74119.8 Ų119.861%0.61265%0.647SS**THydrogen-bonded Turntrans-88.5-23.5-177.100000114T486 T491T486-A488 PolarHBondContact O-N 3.08Å; A488-T491 PolarHBondContact O-OG1 3Å; A488-T491 VanDerWaalsContact O-OG1 3.08Å
489A44.9Very low47.8Very low49 Ų49116.6 Ų116.641%0.40562%0.621SS.*Hα-helixtrans-66.8-38.9-179.900000112.3T486 T491 S492T486-A489 PolarHBondContact O-N 3.25Å; A489-T491 PolarHBondContact O-N 2.82Å; A489-T491 VanDerWaalsContact O-N 3.07Å; A489-S492 WeakPolarHBondContact O-CB 3.39Å; A489-S492 PolarHBondContact O-N 2.86Å
490A51.1Low48.9Very low48 Ų48115.4 Ų115.440%0.39761%0.613SS.*Hα-helixtrans-65.9-12.3-173.300000115.2L494A490-L494 WeakPolarHBondContact O-CD1 3.47Å; A490-L494 WeakPolarHBondContact O-CG 3.49Å
491T48.9Very low49.4Very low87 Ų87116.3 Ų116.353%0.53460%0.601SS.*Hα-helixtrans-83.6-31.9171.1490000112.5A488 A489 L494 E495A488-T491 PolarHBondContact O-OG1 3Å; A488-T491 VanDerWaalsContact O-OG1 3.08Å; A489-T491 PolarHBondContact O-N 2.82Å; A489-T491 VanDerWaalsContact O-N 3.07Å; T491-L494 PolarHBondContact O-N 3.12Å; T491-E495 PolarHBondContact O-N 3.29Å
492S57.2Low50.6Low66 Ų66115.3 Ų115.346%0.46260%0.6SS.*Hα-helixtrans-66.4-49178.3-159.90000110.8A489 L494 E495 E496A489-S492 WeakPolarHBondContact O-CB 3.39Å; A489-S492 PolarHBondContact O-N 2.86Å; S492-L494 PolarHBondContact O-N 3.1Å; S492-E495 PolarHBondContact O-N 3.14Å; S492-E496 PolarHBondContact O-N 2.88Å
493E58Low51.3Low116 Ų116112.4 Ų112.454%0.54260%0.598SS.*Hα-helixtrans-58.7-35.2176.8-63.5172-163.700111.9I497E493-I497 WeakPolarHBondContact O-CB 3.43Å; E493-I497 WeakPolarHBondContact O-CD1 3.3Å; E493-I497 WeakPolarHBondContact O-CG1 3.48Å; E493-I497 PolarHBondContact O-N 3.38Å
494L57.1Low51.7Low105 Ų105105.4 Ų105.455%0.5559%0.588SS.*Hα-helixtrans-73.6-32.6176-79.4173.7000113.2A490 T491 S492 L498A490-L494 WeakPolarHBondContact O-CD1 3.47Å; A490-L494 WeakPolarHBondContact O-CG 3.49Å; T491-L494 PolarHBondContact O-N 3.12Å; S492-L494 PolarHBondContact O-N 3.1Å; L494-L498 WeakPolarHBondContact O-CB 3.35Å; L494-L498 WeakPolarHBondContact O-CD1 3.29Å; L494-L498 WeakPolarHBondContact O-CG 3.42Å; L494-L498 PolarHBondContact O-N 3.38Å; L494-L498 VanDerWaalsContact O-N 3.1Å
495E61.2Low51.9Low97 Ų9799.7 Ų99.745%0.45358%0.582SS.*Hα-helixtrans-72.7-39.2173.9-71.6-171.5118.900111.4R15 T491 S492 L498 D499R15-E495 IonicContact CZ-OE1 3.65Å; R15-E495 IonicContact NE-OE1 2.7Å; R15-E495 IonicContact NH2-OE1 3.2Å; R15-E495 PolarHBondContact NH2-OE1 3.25Å; T491-E495 PolarHBondContact O-N 3.29Å; S492-E495 PolarHBondContact O-N 3.14Å; E495-L498 PolarHBondContact O-N 3.4Å; E495-D499 PolarHBondContact O-N 3.16Å
496E62.6Low52.1Low132 Ų132100.3 Ų100.362%0.61759%0.587SS**Hα-helixtrans-62.1-43172.1-70.9177.616300112.4S492 L498 D499 F500S492-E496 PolarHBondContact O-N 2.88Å; E496-L498 VanDerWaalsContact C-N 3.3Å; E496-L498 PolarHBondContact O-N 3.22Å; E496-D499 PolarHBondContact O-N 3.45Å; E496-F500 WeakPolarHBondContact O-CB 3.42Å; E496-F500 PolarHBondContact O-N 3.08Å
497I59.8Low52Low91 Ų91103.3 Ų103.347%0.46760%0.597SS.*Hα-helixtrans-64.7-34175.4-71.9165.4000111.6E493 M501E493-I497 WeakPolarHBondContact O-CB 3.43Å; E493-I497 WeakPolarHBondContact O-CD1 3.3Å; E493-I497 WeakPolarHBondContact O-CG1 3.48Å; E493-I497 PolarHBondContact O-N 3.38Å; I497-M501 HydrophobicContact CG2-CE 4.24Å; I497-M501 WeakPolarHBondContact O-CG 3.28Å; I497-M501 PolarHBondContact O-N 3.45Å; I497-M501 VanDerWaalsContact O-N 3.11Å
498L60.9Low51.2Low91 Ų91106.8 Ų106.848%0.47660%0.6SS.*Hα-helixtrans-72.4-42.6176.5-77166.9000112.2L494 E495 E496 M501 L502L494-L498 WeakPolarHBondContact O-CB 3.35Å; L494-L498 WeakPolarHBondContact O-CD1 3.29Å; L494-L498 WeakPolarHBondContact O-CG 3.42Å; L494-L498 PolarHBondContact O-N 3.38Å; L494-L498 VanDerWaalsContact O-N 3.1Å; E495-L498 PolarHBondContact O-N 3.4Å; E496-L498 VanDerWaalsContact C-N 3.3Å; E496-L498 PolarHBondContact O-N 3.22Å; L498-M501 HydrophobicContact CD2-CE 3.86Å; L498-M501 PolarHBondContact O-N 3.05Å; L498-L502 VanDerWaalsContact O-CG 3.3Å; L498-L502 WeakPolarHBondContact O-CG 3.44Å; L498-L502 PolarHBondContact O-N 3.09Å; L498-L502 VanDerWaalsContact O-N 3.14Å
499D62.8Low51Low59 Ų59108.1 Ų108.132%0.31660%0.603SS.*Hα-helixtrans-60.9-45.3172.5-99.525.7000110.9R18 E495 E496 M501 L502 C503R18-D499 IonicContact CZ-OD2 3.65Å; R18-D499 VanDerWaalsContact NH1-CG 3.3Å; R18-D499 IonicContact NH1-OD1 2.64Å; R18-D499 PolarHBondContact NH1-OD1 3.35Å; R18-D499 IonicContact NH1-OD2 3.87Å; R18-D499 PolarHBondContact NH1-OD2 2.92Å; R18-D499 IonicContact NH2-OD2 2.76Å; R18-D499 PolarHBondContact NH2-OD2 3.22Å; E495-D499 PolarHBondContact O-N 3.16Å; E496-D499 PolarHBondContact O-N 3.45Å; D499-M501 VanDerWaalsContact C-N 3.31Å; D499-M501 PolarHBondContact O-N 3.26Å; D499-L502 PolarHBondContact O-N 3.19Å; D499-C503 PolarHBondContact O-N 3.31Å; D499-C503 PolarHBondContact O-SG 3.41Å
500F54.9Low50.8Low170 Ų170111.8 Ų111.875%0.74662%0.622SS**Hα-helixtrans-59.9-37.5177.1-176.4-97.8000113E496 L502E496-F500 WeakPolarHBondContact O-CB 3.42Å; E496-F500 PolarHBondContact O-N 3.08Å; F500-L502 VanDerWaalsContact C-N 3.32Å
501M46.9Very low49.8Very low125 Ų125117.6 Ų117.662%0.61665%0.645SS**Hα-helixtrans-74.1-18.5174.5-73.1-168.8-55.400113.9I497 L498 D499I497-M501 HydrophobicContact CG2-CE 4.24Å; I497-M501 WeakPolarHBondContact O-CG 3.28Å; I497-M501 PolarHBondContact O-N 3.45Å; I497-M501 VanDerWaalsContact O-N 3.11Å; L498-M501 HydrophobicContact CD2-CE 3.86Å; L498-M501 PolarHBondContact O-N 3.05Å; D499-M501 VanDerWaalsContact C-N 3.31Å; D499-M501 PolarHBondContact O-N 3.26Å
502L59Low49Very low142 Ų142116.9 Ų116.974%0.74366%0.655SS**Hα-helixtrans-89.5-24.7177.8-71.9169.1000112.9L498 D499 F500 G504L498-L502 VanDerWaalsContact O-CG 3.3Å; L498-L502 WeakPolarHBondContact O-CG 3.44Å; L498-L502 PolarHBondContact O-N 3.09Å; L498-L502 VanDerWaalsContact O-N 3.14Å; D499-L502 PolarHBondContact O-N 3.19Å; F500-L502 VanDerWaalsContact C-N 3.32Å; L502-G504 PolarHBondContact O-N 3.06Å
503C51.6Low47.6Very low115 Ų115119.5 Ų119.578%0.77767%0.673SS**SBendtrans-80.414.8173-63.60000113.9D499D499-C503 PolarHBondContact O-N 3.31Å; D499-C503 PolarHBondContact O-SG 3.41Å
504G42.3Very low46.5Very low58 Ų58121.6 Ų121.660%0.59869%0.687SS**  trans-101.919.2-15600000118.9L502L502-G504 PolarHBondContact O-N 3.06Å
505S38.9Very low45.1Very low98 Ų98125.9 Ų125.969%0.68571%0.705SS**  trans-162.9122.3172.254.60000114.6
506D39.9Very low43.8Very low159 Ų159126.4 Ų126.485%0.8572%0.719SS**  trans138.873.3142.3-71.8-3.1000114.3
507I37.9Very low42.8Very low172 Ų172126.1 Ų126.188%0.88273%0.728SS**  trans-137.2104.2158.4-55.9179.8000109.3
508E33.7Very low41.2Very low189 Ų189125.6 Ų125.688%0.88375%0.746SS**  trans-144.6127.4156.2-167.1168.6-132.800108.9
509P41.6Very low40.1Very low102 Ų102126.3 Ų126.366%0.66277%0.765SS**  trans-92.9137.1-169.834-33.9000113.4I511P509-I511 PolarHBondContact O-N 3.47Å
510P39.3Very low38.6Very low125 Ų125133.1 Ų133.181%0.81280%0.795SS**  trans-76.8110.5170.730.3-32.4000111.2G512P510-G512 PolarHBondContact O-N 3.27Å
511I31.5Very low37.4Very low171 Ų171128.1 Ų128.188%0.87779%0.791SS**  trans-71.8119.9163.6-62.1173.7000107.6P509P509-I511 PolarHBondContact O-N 3.47Å
512G32.1Very low36.6Very low72 Ų72128.7 Ų128.774%0.74281%0.806SS**  trans-97.2-176.7-165.600000116.6P510P510-G512 PolarHBondContact O-N 3.27Å
513S27.2Very low35.2Very low121 Ų121133.4 Ų133.485%0.84681%0.814SS**  trans-152.5164.6162.4-168.80000110.1
514L35.3Very low34.3Very low160 Ų160133.6 Ų133.684%0.83881%0.812SS**  trans-71.3143.7-179.2-6682.8000112.3
515E27.1Very low33.9Very low195 Ų195135.3 Ų135.391%0.91181%0.812SS**  -157.7160.5114.9-130.7175.1171.100111.2
516S34.2Very low33.4Very low108 Ų108135.9 Ų135.976%0.75581%0.812SS**  trans-133.7143.6174.766.60000111
517P41.4Very low33Very low125 Ų125138.5 Ų138.581%0.81281%0.811SS**  trans-143.7154.5145.837.3-23.7000114.5
518G27.3Very low32.6Very low81 Ų81138 Ų13884%0.83581%0.805SS**  trans70.3112.5141.400000118.7
519A37.1Very low32.6Very low106 Ų106137.3 Ų137.388%0.87681%0.807SS**  trans-85.3131.7166.200000111.2
520E31Very low32.2Very low201 Ų201138.8 Ų138.894%0.93981%0.814SS**  trans-150.7117.3168.9-136.9166-140.600114
521G30.1Very low32Very low66 Ų66141.7 Ų141.768%0.6882%0.817SS**  trans58.280.414900000121R523G521-R523 PolarHBondContact O-N 3.2Å
522C30.2Very low32.1Very low137 Ų137140.3 Ų140.393%0.92682%0.816SS**  trans-60.4107.7157.8-62.20000111
523R30.4Very low31.9Very low240 Ų240140 Ų14091%0.90681%0.813SS**  trans-10499.5172.3-80.6-166.9173.2-149.30.2111.9G521G521-R523 PolarHBondContact O-N 3.2Å
524T32.3Very low32.3Very low120 Ų120143.6 Ų143.674%0.73681%0.813SS**  trans-65.6133167.3-39.20000110.3T526T524-T526 PolarHBondContact O-N 2.79Å; T524-T526 VanDerWaalsContact O-N 3.12Å
525P33.4Very low32.5Very low93 Ų93143 Ų14360%0.60481%0.811SS**  trans-75.899.1175.229.1-33.1000111.1Y527P525-Y527 HydrophobicContact CB-CE2 4.21Å; P525-Y527 HydrophobicContact CG-CE2 4.35Å; P525-Y527 WeakPolarHBondContact O-CD2 3.25Å; P525-Y527 PolarHBondContact O-N 3.06Å
526T27.6Very low32.6Very low111 Ų111145.6 Ų145.668%0.68181%0.812SS**  trans-75.9100.6173.5-49.30000110.6T524 H528T524-T526 PolarHBondContact O-N 2.79Å; T524-T526 VanDerWaalsContact O-N 3.12Å; T526-H528 PolarHBondContact O-N 3.21Å; T526-H528 VanDerWaalsContact O-N 3.09Å
527Y32.5Very low32.6Very low213 Ų213147.9 Ų147.984%0.83581%0.813SS**  trans-73.497.8173.6-71.8-82.4000111.1P525P525-Y527 HydrophobicContact CB-CE2 4.21Å; P525-Y527 HydrophobicContact CG-CE2 4.35Å; P525-Y527 WeakPolarHBondContact O-CD2 3.25Å; P525-Y527 PolarHBondContact O-N 3.06Å
528H30.2Very low32.4Very low162 Ų162150.8 Ų150.875%0.7582%0.816SS**  trans-77.4120.3166.4-82.9-87.4000110.2T526T526-H528 PolarHBondContact O-N 3.21Å; T526-H528 VanDerWaalsContact O-N 3.09Å
529L33.3Very low32.7Very low175 Ų175150.4 Ų150.492%0.91681%0.812SS**  trans-83.8118.5172.5-155.177.7000109.2
530T33.2Very low32.6Very low132 Ų132154 Ų15481%0.8181%0.811SS**  trans-113.4113.3169.952.10000110.2
531E34.4Very low32.7Very low187 Ų187152.9 Ų152.987%0.87481%0.806SS**  trans-75.2123.9-178.6178.8-176.8-16800112.2
532T34.1Very low32.8Very low142 Ų142161.1 Ų161.187%0.87182%0.816SS**  trans162.5120.8152.3-74.80000108.2
533G28.7Very low33Very low65 Ų65159.2 Ų159.267%0.6780%0.804SS**  cis161.5169.8-7.600000111.8
534K34.8Very low33.2Very low197 Ų197155.5 Ų155.586%0.85780%0.801SS**  trans81.4116.8167.6-58.6177.5-177.9175.50118.9
535N39.1Very low33.4Very low146 Ų146155.6 Ų155.678%0.78180%0.803SS**  trans7987.7139.1-5610.5000119.4
536W30.4Very low33.3Very low250 Ų250158.4 Ų158.495%0.94781%0.813SS**  -127.5139.1124.344.4-77.2000107.6
537M33.6Very low33.6Very low157 Ų157161.3 Ų161.377%0.77382%0.821SS**  trans-106.9142.6178.7-58.2-163.8-41.500109.7
538E36.5Very low34Very low186 Ų186159.7 Ų159.787%0.86982%0.821SS**  trans57.4101.1133.7-163.4163.4-133.800117.6
539G33.9Very low34Very low73 Ų73158.3 Ų158.375%0.75382%0.819SS**  trans-178.497.717300000114.3
540E35.7Very low34.1Very low182 Ų182161 Ų16185%0.8582%0.817SS**  trans64.291.5156.2-58.5-177.2-178.600118.1
541E32.9Very low34.2Very low177 Ų177159.9 Ų159.983%0.82781%0.812SS**  trans-80.3127.2171.9-179.8175.8-140.500111.8
542W30.8Very low34.1Very low238 Ų238162.9 Ų162.990%0.90282%0.815SS**  trans-99.593.2172.2-80.791.5000110.8L544W542-L544 PolarHBondContact O-N 3.49Å
543C34.5Very low34.1Very low98 Ų98164.9 Ų164.966%0.66282%0.815SS**PPolyproline II helixtrans-66.6129.1178.8-50.50000112
544L35.8Very low34.3Very low162 Ų162169.3 Ų169.385%0.84882%0.822SS**PPolyproline II helixtrans-103.3140.6157.7-69.1173.2000108.2W542W542-L544 PolarHBondContact O-N 3.49Å
545P35.9Very low34Very low121 Ų121167 Ų16779%0.78682%0.824SS**PPolyproline II helixtrans-75.2141.6-176.830.4-34.7000112.1
546D30.7Very low33.6Very low152 Ų152168.2 Ų168.281%0.81383%0.826SS**PPolyproline II helixtrans-62.1147.7177.9-75.9-62.4000113.9
547M33.8Very low33.6Very low173 Ų173163.2 Ų163.285%0.85282%0.817SS**  trans-124.579.4165.9-94.7-174.656.100110L549M547-L549 PolarHBondContact O-N 3.41Å
548E40.9Very low33.4Very low178 Ų178164 Ų16483%0.83282%0.819SS**  trans-77.695.5174.3-69.7-160.9128.700112.4
549L30.5Very low33.2Very low134 Ų134164.7 Ų164.770%0.70282%0.819SS**  trans-148118.5163.9-68.1176.8000106.1M547M547-L549 PolarHBondContact O-N 3.41Å
550W35.2Very low32.9Very low231 Ų231169.9 Ų169.988%0.87582%0.823SS**  cis-142.6173.330.4-80.776.8000112
551P36.2Very low33.3Very low109 Ų109166.3 Ų166.371%0.70882%0.816SS**PPolyproline II helixtrans-63.8152.7-169.5-24.835.5000116.8
552R32.6Very low33.1Very low249 Ų249163 Ų16394%0.9482%0.819SS**PPolyproline II helixtrans-102.3117.8158.5-66.7-176.9-179.6-139.62109.1
553E33.8Very low33.2Very low185 Ų185155.3 Ų155.386%0.86481%0.814SS**PPolyproline II helixtrans-88.2148.6168.3-67.2-177.5147.200110.4
554L33.2Very low33.1Very low157 Ų157158.8 Ų158.882%0.82282%0.82SS**PPolyproline II helixtrans-81.5152.4-167.6-70.1160.5000112.4
555T27.8Very low32.8Very low148 Ų148156.6 Ų156.691%0.90881%0.809SS**  trans-127.881.8165.6-500000109.4
556E31.3Very low32.7Very low173 Ų173159.9 Ų159.981%0.80881%0.811SS**  trans-105.1106.3163.9-72.1-167.3121.100109.2
557L29.8Very low32.7Very low145 Ų145161.1 Ų161.176%0.75981%0.812SS**  trans-154.6113.6145.4-150.165.1000112.7
558E28.8Very low33.4Very low174 Ų174158 Ų15881%0.81381%0.805SS**  trans54.2131.1144.9-63.7175.7161.700122.3
559K32.6Very low32.9Very low200 Ų200153.6 Ų153.687%0.8780%0.798SS**  trans-88.4152.8156.5-60169.7177.9172.80109
560E28.6Very low33Very low182 Ų182155.5 Ų155.585%0.8580%0.804SS**  trans-134.5156.1145.3-97.9-70.89400108.6
561P43.6Very low32.6Very low107 Ų107151.3 Ų151.370%0.69580%0.798SS**  trans-96.9158.8-159.137.1-37.2000115.2
562A29.5Very low32.3Very low107 Ų107153.7 Ų153.788%0.88480%0.804SS**  trans-92.6127.7163.100000110.5
563G31.3Very low32Very low77 Ų77147.2 Ų147.279%0.79480%0.796SS**  trans-115.1110.1-178.800000113.4
564E32.6Very low32.5Very low171 Ų171143.6 Ų143.680%0.79979%0.789SS**  trans-2.6131161-45.8177.416000120.3
565N29.9Very low32.1Very low115 Ų115143.6 Ų143.662%0.61579%0.789SS**  167.8135.5100-96-82.7000115.7
566K34Very low32.2Very low190 Ų190142.9 Ų142.983%0.82678%0.784SS**  trans74.1121.6141.4-69.7170.9-177.1171.70124.3
567E31.5Very low32.3Very low179 Ų179142.5 Ų142.584%0.83678%0.784SS**  trans-40.4177.3141.5-94.9-169.2105.900117.7
568P47.9Very low33.1Very low108 Ų108141.5 Ų141.570%0.70179%0.787SS**  cis-136.7171.410.126.4-1.7000118.7
569A30.8Very low33.2Very low84 Ų84138.7 Ų138.769%0.69479%0.786SS**  trans35.6130.7142.100000124.8
570E31.4Very low33.2Very low175 Ų175138.3 Ų138.382%0.81879%0.787SS**  trans42.2128.5136.4-54.6-170145.700122.7
571L27.5Very low33.3Very low143 Ų143135.5 Ų135.575%0.74978%0.782SS**  -179.413994.9-94174.6000114.5
572L29.3Very low32.8Very low159 Ų159135.9 Ų135.983%0.83279%0.788SS**  trans67.2134.2154.8-58.3174.5000122.4
573S27Very low32.8Very low112 Ų112134.5 Ų134.578%0.78378%0.784SS**  trans-90.6-168.3166.3-36.70000110.2
574P43.2Very low32.8Very low110 Ų110140 Ų14071%0.71479%0.789SS**  cis-142.2-154.18.341.1-17.7000115.4
575L26Very low32.7Very low156 Ų156137.9 Ų137.982%0.81779%0.787SS**  trans90.7103.5174.1-53.2176000114.6
576V28.7Very low32.6Very low134 Ų134139.4 Ų139.481%0.81280%0.795SS**  cis91.3123.434.5-176.10000113.3
577M35.1Very low32.4Very low164 Ų164135.2 Ų135.281%0.80879%0.79SS**  trans-71.9179.9174.9-63-71.4-71.500111.7
578P45.7Very low32.3Very low125 Ų125134 Ų13481%0.81279%0.794SS**  -143170.7109.537.9-25.7000115.1
579S32Very low31.2Very low114 Ų114132.1 Ų132.180%0.79779%0.794SS**  trans-133.1128.6161.91600000106.4
580E30.8Very low31Very low192 Ų192131.8 Ų131.890%0.89780%0.799SS**  trans-156.4168.9167.2-124.1171.5-162.500115.2
581V32.6Very low32.1Very low123 Ų123128.4 Ų128.475%0.74579%0.792SS**  trans-98.2167.1-143.866.20000115
582S33.2Very low32.1Very low116 Ų116132.5 Ų132.581%0.81180%0.798SS**  trans75142.6152.465.10000121.8
583G27.4Very low32.3Very low78 Ų78130.1 Ų130.180%0.80479%0.79SS**  trans169.1110.6169.200000111
584E31.8Very low33.3Very low192 Ų192129.8 Ų129.890%0.89779%0.785SS**  trans-89-172.6179.1-64.3-179.992.100112.8
585V31.6Very low32.6Very low126 Ų126131.3 Ų131.376%0.76479%0.787SS**  trans114.5105.8151-177.10000118.2
586L27.4Very low33.1Very low148 Ų148130 Ų13078%0.77578%0.781SS**  trans44.8113.8139.5-56.2175.2000123
587S30.5Very low33.3Very low102 Ų102130.4 Ų130.471%0.71377%0.774SS**  59.7145.5118.4-55.40000124.2
588V27.7Very low33.1Very low152 Ų152129 Ų12992%0.92177%0.768SS**  trans75.7134167.2-165.40000115.6
589G24.8Very low32.3Very low69 Ų69128.6 Ų128.671%0.71176%0.763SS**  cis165.692.2-10.200000115.9
590G27.1Very low32.1Very low78 Ų78128 Ų12880%0.80476%0.76SS**  trans65.8-165.2165.400000116.7
591P54Low32Very low103 Ų103124.1 Ų124.167%0.66975%0.753SS**  cis-133.8-172.4-9.142.4-26.7000114.3
592W27.7Very low31.9Very low230 Ų230126.9 Ų126.987%0.87176%0.758SS**  trans74.2138.8150.6-74.2-5.4000119.5
593T34.6Very low32.8Very low109 Ų109125.8 Ų125.867%0.66975%0.748SS**  cis167.2165.3-15.923.40000106.5
594P48Very low33Very low105 Ų105128.8 Ų128.868%0.68275%0.745SS**  cis-113.9-109.81630.7-7.6000114.5
595D28.1Very low32.9Very low141 Ų141126.7 Ų126.775%0.75474%0.74SS**  cis-143.8-17813.1-139.9-44.8000111.7
596L37.3Very low32.8Very low130 Ų130123.9 Ų123.968%0.68174%0.736SS**  trans-116.4162-165.7-101.179.7000113.4
597E31.7Very low33Very low142 Ų142124.5 Ų124.566%0.66474%0.735SS**  cis-175.7167-18.5-144.4177.6-140.600113
598I31.5Very low32.9Very low135 Ų135127.1 Ų127.169%0.69274%0.736SS**  trans46.4160.2155.943.4159.2000122.4
599T28.1Very low33Very low115 Ų115124.7 Ų124.771%0.70672%0.718SS**  cis-151.1159.34.7-9.10000112.9
600S28Very low33.4Very low103 Ų103129.2 Ų129.272%0.7272%0.718SS**  trans20.9142134.8-156.20000120.6
601S29.3Very low33.5Very low109 Ų109132 Ų13276%0.76271%0.714SS**  -167.4170.751.7-50.90000115.5
602Q30.1Very low32.4Very low181 Ų181133.9 Ų133.985%0.84672%0.717SS**  trans-107.8-166172.7-127.8-173.1-3.900109.8
603P53.4Low32.3Very low94 Ų94130.3 Ų130.361%0.6171%0.71SS**  cis-139.6-159.8-2029.4-3.1000114.5
604L31.4Very low31.9Very low140 Ų140130.6 Ų130.673%0.73371%0.711SS**  trans109.9140.2142.4-77.1159.9000123.6
605D28.8Very low30.9Very low149 Ų149130.1 Ų130.180%0.79771%0.711SS**  trans53.5152.4158.4-54.5-32.2000121.8
606G30.4Very low31Very low66 Ų66128.3 Ų128.368%0.6871%0.709SS**  cis-170.3140.6-5.400000109.8
607Q30.1Very low30.8Very low162 Ų162129.4 Ų129.476%0.75772%0.715SS**  86.9115.189.9176.2166.3-4.300115.9
608E28Very low30.5Very low157 Ų157130.1 Ų130.173%0.73472%0.723SS**  trans65.5157.3150.7-83.7167.9-176.800120.2
609D31.1Very low30.5Very low101 Ų101130.7 Ų130.754%0.5473%0.726SS.*  cis-165.4166.7-16.2-148.4-12.7000111.4
610K33.7Very low30.9Very low164 Ų164131.1 Ų131.171%0.71373%0.731SS**  trans59161.6147.5-79.8158.8-170.7142.50121.2
611L28.3Very low31.1Very low135 Ų135135 Ų13571%0.70774%0.738SS**  cis-168.9155.3-31.1-123.4-174.1000110.1
612L30.2Very low30.8Very low143 Ų143141.7 Ų141.775%0.74975%0.746SS**  trans66.8164.2164.9-52.6173.6000116.9
613H25.6Very low30.8Very low156 Ų156137.3 Ų137.372%0.72274%0.735SS**  cis-146.1163.52.1-157.1-92.1000113.7
614V28Very low29.7Very low114 Ų114143.8 Ų143.869%0.69175%0.749SS**  trans-63.7146.3171-174.70000110.5
615S26.9Very low29.5Very low95 Ų95140.5 Ų140.566%0.66475%0.749SS**  -177.1156.875.7-45.20000116.7
616S28.4Very low29.6Very low103 Ų103140.2 Ų140.272%0.7275%0.747SS**  trans72.9117.1139.7-64.70000124
617L33Very low29.6Very low154 Ų154145.2 Ų145.281%0.80676%0.757SS**  47.9123.4123.7-67.1160.8000121.1
618D25.3Very low29.8Very low157 Ų157142.5 Ų142.584%0.8476%0.757SS**  -158.1158.4110.7-127-23.4000113.4
619I32.5Very low30.5Very low147 Ų147140.7 Ų140.775%0.75476%0.758SS**  trans-142124.6175.8-72.9177.4000109.1
620P36.3Very low30.8Very low123 Ų123141.7 Ų141.780%0.79977%0.771SS**  -146.1165.9121.833.8-16.3000116.3
621Q31.4Very low30.5Very low186 Ų186140 Ų14087%0.86978%0.778SS**  trans-70.4160.7-177.2-56.2171.8-39.300114.8
622R24.6Very low30.7Very low249 Ų249138.3 Ų138.394%0.9478%0.777SS**  trans-147.3174.8136.5-122.6173.1-172.8164.44112.7
623S29.6Very low30.7Very low88 Ų88138.7 Ų138.762%0.61578%0.78SS**  trans-152.4171.6-148.451.10000113.9
624Y29.9Very low30.8Very low231 Ų231143.3 Ų143.391%0.90679%0.791SS**  trans69.9152.7-177.4-63.5-90.4000115
625G26.4Very low30.9Very low70 Ų70143.7 Ų143.772%0.72279%0.794SS**  cis-163.7169.52.100000114
626D32.3Very low31.5Very low143 Ų143148 Ų14877%0.76580%0.803SS**  trans-85133.8-174.1-176.59000112.2
627L29.8Very low31.5Very low171 Ų171149.6 Ų149.690%0.89581%0.809SS**  trans-158.6124.2160.7-84.1-167.8000111.5
628S33.5Very low31.2Very low106 Ų106145.4 Ų145.474%0.74180%0.803SS**PPolyproline II helixtrans-90.5150.4165.1-63.70000111.5
629P44.6Very low31.3Very low118 Ų118145.9 Ų145.977%0.76681%0.805SS**PPolyproline II helixtrans-77.4149.4173.532.5-34.5000112.2
630P36.5Very low31.1Very low123 Ų123146.7 Ų146.780%0.79981%0.805SS**PPolyproline II helixtrans-84.7150.2178.234.3-35000112.7
631C27.4Very low30.6Very low128 Ų128147.5 Ų147.587%0.86581%0.808SS**PPolyproline II helixtrans-85128.3165.6-69.40000110.6
632S32.3Very low30.3Very low99 Ų99142.9 Ų142.969%0.69280%0.796SS**  trans-161.6111.3159.4-81.50000111.6
633N29.8Very low30.5Very low152 Ų152137.7 Ų137.781%0.81379%0.786SS**  trans24.8120.6141.3-48-8.3000118.3
634W29.2Very low30.3Very low253 Ų253140.4 Ų140.496%0.95880%0.799SS**  trans-121.1139150.3-89.683.7000110.6
635V29.2Very low30.4Very low122 Ų122134.3 Ų134.374%0.73979%0.786SS**  trans-94.9146.6-177.1168.50000109.7
636E39.1Very low30.4Very low186 Ų186137.7 Ų137.787%0.86979%0.788SS**  trans-68.5125.2176.8-175.9170.4-14200111.8
637T29.4Very low30.3Very low135 Ų135138 Ų13883%0.82879%0.785SS**  trans-162.4125.6161.7-16.30000109
638G27.1Very low30.2Very low67 Ų67136.7 Ų136.769%0.69178%0.778SS**  trans-102.1169.8178.100000113
639L27.1Very low29.9Very low167 Ų167139.3 Ų139.387%0.87478%0.783SS**  trans-156.5172147.3-138.276.8000111.1
640E27.9Very low28.9Very low163 Ų163144.2 Ų144.276%0.76279%0.787SS**  trans-66.4167.1-179.5-52.5162.6101.100113.3
641V25.3Very low29.7Very low140 Ų140143 Ų14385%0.84878%0.78SS**  -173.1126.2110145.60000112.9
642S26.1Very low29.6Very low90 Ų90141.8 Ų141.863%0.62977%0.772SS**  trans-47.2172160.2-62.50000115.2
643L28Very low30.4Very low139 Ų139143 Ų14373%0.72878%0.778SS**  cis-170.7151.2-11.1-108.8167.1000105.7
644T26.2Very low30.5Very low145 Ų145145.3 Ų145.389%0.8978%0.781SS**  trans-145.4147.6148.439.90000109.9
645T30.6Very low30.6Very low104 Ų104138.3 Ų138.364%0.63878%0.777SS**  trans-142.5146.6-164.1-420000110.3
646D27.3Very low30.5Very low140 Ų140135.9 Ų135.975%0.74978%0.777SS**  trans173.3116.1135-87.7-2.7000107.5
647E29.8Very low30.2Very low151 Ų151135.6 Ų135.671%0.70677%0.772SS**  73.8138.392.1-73.2-142.1123.500113.4
648L27.8Very low30.1Very low142 Ų142136.2 Ų136.274%0.74377%0.766SS**  cis-137.7146.734.6-68.8155.3000114
649L26.3Very low30.1Very low162 Ų162139 Ų13985%0.84877%0.77SS**  trans148.6117.7132.7-79.2173.6000113.3
650Y24.7Very low30.1Very low220 Ų220136.7 Ų136.786%0.86377%0.767SS**  trans-154.5176.6-175-109.9-116.2000106.7
651P52.4Low30Very low99 Ų99132.5 Ų132.564%0.64377%0.768SS**  cis-147.2-161.9-44.841.9-22.8000114.9
652S26Very low30Very low101 Ų101134.7 Ų134.771%0.70677%0.768SS**  trans80.2169145.1-92.80000119.8
653P49.9Very low30.2Very low125 Ų125134.4 Ų134.481%0.81277%0.767SS**  cis-130.7177.31238.8-20000119.5
654K30.1Very low30.3Very low200 Ų200135.8 Ų135.887%0.8777%0.769SS**  trans-80166.7-177.2-47.5165.1179175.20115.6
655A32.7Very low30.3Very low107 Ų107135.2 Ų135.288%0.88476%0.76SS**  trans-161.7156.6136.900000110.6
656G27.5Very low30.2Very low71 Ų71138 Ų13873%0.73277%0.77SS**  cis165.3154.3-1200000114.6
657K31.3Very low30Very low179 Ų179134.3 Ų134.378%0.77877%0.765SS**  trans55.1119.2150.4-78.3-175.9164.5-91.10124.3
658E27.2Very low29.8Very low148 Ų148132.9 Ų132.969%0.69277%0.772SS**  52.2135.5105.9-67.2178.7145.900124.5
659V28.7Very low29.9Very low127 Ų127134.1 Ų134.177%0.7778%0.778SS**  trans97.4114.1137.3163.40000122.6
660S26.2Very low30.7Very low117 Ų117132 Ų13282%0.81877%0.774SS**  trans50.8143.6148.771.90000123.3
661G26Very low30.6Very low75 Ų75125.7 Ų125.777%0.77377%0.768SS**  trans-156.2-47.4179.400000122.6
662H25.4Very low29.5Very low186 Ų186125.9 Ų125.986%0.86177%0.771SS**  trans64144.1177.3-136-76.6000120.5
663S30Very low29.8Very low85 Ų85126 Ų12659%0.59477%0.772SS**  trans60.2144.9168.3-73.50000117.5
664E29.5Very low29Very low167 Ų167127.5 Ų127.578%0.7877%0.769SS**  cis-150.4165.7-5.3-105.1148.1-135.600105.8
665L27.4Very low29.3Very low134 Ų134125 Ų12570%0.70276%0.76SS**  cis-159146.623.5-167.588.8000108.2
666L27.4Very low29.5Very low162 Ų162128 Ų12885%0.84876%0.755SS**  trans38.5134.8161.3-76.6158.8000121
667G24.7Very low29.9Very low63 Ų63131.1 Ų131.165%0.64975%0.751SS**  cis144.4142.4-0.900000113
668S25.5Very low29.9Very low121 Ų121128.9 Ų128.985%0.84675%0.746SS**  trans74.2102.2159.2-530000121
669L29.9Very low29.9Very low167 Ų167128 Ų12887%0.87475%0.746SS**  trans-66.4179.4130.9-63.9165.7000109.7
670P42.6Very low30Very low117 Ų117127.4 Ų127.476%0.7674%0.743SS**  cis-131.4-154.1-4.140.4-20.9000112.4
671A23.1Very low30.2Very low89 Ų89127.7 Ų127.774%0.73674%0.739SS**  trans75.5150151.800000118.1
672S28.5Very low30.4Very low102 Ų102129.9 Ų129.971%0.71373%0.733SS**  cis-171.4163-12.745.60000110.8
673S32.8Very low30.6Very low103 Ų103132.6 Ų132.672%0.7274%0.736SS**  trans64.3174.6166.5-113.90000114.2
674E31.7Very low30.8Very low158 Ų158134.3 Ų134.374%0.73874%0.743SS**  cis-155.4152.14.327.5-151.666.800105.6
675E36.5Very low30.9Very low146 Ų146131 Ų13168%0.68275%0.745SS**  cis-171.6155.9-9.455.6-156.9168.300108.4
676E37.2Very low31.1Very low170 Ų170134.5 Ų134.579%0.79476%0.757SS**  trans52157.9149.8-69.1-174.913600121.9
677E35.4Very low31.2Very low137 Ų137130.4 Ų130.464%0.6475%0.754SS**  cis-156.5144.8-4.6-134.7-155.5138.400110.8
678I32Very low31.5Very low133 Ų133138.4 Ų138.468%0.68277%0.765SS**  trans39.4166.9153.566.8167.6000122.4
679D27.9Very low31.8Very low129 Ų129140.2 Ų140.269%0.6976%0.764SS**  cis-144.6159.80.7-15111000115.1
680V29.5Very low32Very low115 Ų115137.1 Ų137.170%0.69775%0.752SS**  trans-17.8141.8156.3169.10000116.5
681V30.5Very low31.6Very low122 Ų122137.6 Ų137.674%0.73976%0.755SS**  -143.2138.865.7177.70000114
682D31.3Very low32.1Very low121 Ų121139.2 Ų139.265%0.64776%0.756SS**  trans-111.6151.2161.617633.3000110.6
683W29.2Very low32.3Very low244 Ų244139.7 Ų139.792%0.92476%0.76SS**  trans-145.677.6169.2-105.1-1.8000112.4
684T34.2Very low32.4Very low120 Ų120140.7 Ų140.774%0.73676%0.761SS**  trans-67.6134.115749.90000111.1
685A30.8Very low32.5Very low99 Ų99138.1 Ų138.182%0.81876%0.758SS**  trans-143.3130.4167.400000109.8
686E33.4Very low32.3Very low206 Ų206136.9 Ų136.996%0.96377%0.765SS**  trans-78139-169.2-63.9162.198.900112.9
687G27.6Very low32.1Very low77 Ų77134.9 Ų134.979%0.79476%0.764SS**  trans-142.741.1-170.300000115.2L689G687-L689 PolarHBondContact O-N 3.15Å; G687-L689 VanDerWaalsContact O-N 3.14Å
688R31.4Very low32.1Very low231 Ų231139.5 Ų139.587%0.87278%0.776SS**  trans-58.7109.7179.9178.5-164.7-171.1-85.82112.6
689L32.3Very low32.2Very low159 Ų159138.7 Ų138.783%0.83278%0.779SS**  trans-155.9156.9155.2-109.5169.9000113.4G687G687-L689 PolarHBondContact O-N 3.15Å; G687-L689 VanDerWaalsContact O-N 3.14Å
690V33.6Very low32.4Very low102 Ų102139.8 Ų139.862%0.61879%0.786SS**  trans-77.7146.3-168176.30000112.2T692V690-T692 PolarHBondContact O-N 3.2Å; V690-T692 VanDerWaalsContact O-N 3.15Å
691P35.9Very low33.1Very low127 Ų127140.1 Ų140.183%0.82579%0.79SS**  trans-69.1105.4166.4-12.828.3000110.7S693P691-S693 PolarHBondContact O-N 3.07Å
692T32.3Very low33.2Very low122 Ų122139.3 Ų139.375%0.74879%0.79SS**  trans-77.6118.5173.3-47.80000109.7V690 V694V690-T692 PolarHBondContact O-N 3.2Å; V690-T692 VanDerWaalsContact O-N 3.15Å; T692-V694 PolarHBondContact O-N 3.21Å
693S33.6Very low33.4Very low113 Ų113139 Ų13979%0.7980%0.797SS**  trans-68.1115.7173.4420000111P691P691-S693 PolarHBondContact O-N 3.07Å
694V33.7Very low33.9Very low124 Ų124136.7 Ų136.775%0.75280%0.796SS**  trans-93.5120.9172.7-178.90000108.6T692T692-V694 PolarHBondContact O-N 3.21Å
695P34.6Very low34.2Very low104 Ų104135.6 Ų135.668%0.67579%0.794SS**  trans-74.2129.6176.529.7-33.2000110.7V697P695-V697 PolarHBondContact O-N 2.87Å; P695-V697 VanDerWaalsContact O-N 3.09Å
696S31.7Very low35Very low119 Ų119140.5 Ų140.583%0.83280%0.8SS**  trans-70.5101.6174.2-55.70000110.7
697V32.4Very low35.5Very low128 Ų128136.5 Ų136.578%0.77679%0.79SS**PPolyproline II helixtrans-82.5128171.7178.50000109.2P695P695-V697 PolarHBondContact O-N 2.87Å; P695-V697 VanDerWaalsContact O-N 3.09Å
698W36.3Very low36Very low234 Ų234141.9 Ų141.989%0.88679%0.794SS**PPolyproline II helixtrans-69.3135.4172.8-67.783000110.3
699P35.2Very low36.4Very low116 Ų116136.8 Ų136.875%0.75379%0.788SS**PPolyproline II helixtrans-74.7133.6172.830.3-33000111.1
700D30.6Very low36.4Very low153 Ų153136.2 Ų136.282%0.81879%0.786SS**PPolyproline II helixtrans-67.4139.1176.6-91.9-48.9000112.3S702D700-S702 PolarHBondContact O-N 3.14Å
701P43.8Very low36.7Very low121 Ų121138.9 Ų138.979%0.78680%0.795SS**SBendtrans-82.576.5176.334.2-34.5000111.1
702S32.8Very low36.8Very low105 Ų105140.6 Ų140.673%0.73480%0.797SS**  trans-157.490.4174.2-80.20000113.4D700D700-S702 PolarHBondContact O-N 3.14Å
703S35.5Very low37.3Very low114 Ų114144.5 Ų144.580%0.79782%0.82SS**  trans-168.460.7159.1-800000110.1S705S703-S705 PolarHBondContact O-N 3.23Å
704E41.2Very low37.5Very low196 Ų196146.1 Ų146.192%0.91682%0.822SS**  trans-59.2128.6161.952.9-160.256.500109.4
705S38.9Very low37.6Very low97 Ų97147.2 Ų147.268%0.67883%0.826SS**  trans-133.8101.6-176.933.10000109.2S703 T707S703-S705 PolarHBondContact O-N 3.23Å; S705-T707 PolarHBondContact O-N 2.88Å
706E47.6Very low37.8Very low202 Ų202149.6 Ų149.694%0.94483%0.834SS**  trans-60.8117.6176.8-61.1175.8117.700109.7
707T44.8Very low38.2Very low123 Ų123151.4 Ų151.476%0.75583%0.834SS**  trans-126.590.917033.30000108.9S705S705-T707 PolarHBondContact O-N 2.88Å
708E38.1Very low38.5Very low190 Ų190152.9 Ų152.989%0.88884%0.838SS**  trans-57.8135.4169.3-175.1171-144.200110.1
709V39.3Very low38.7Very low123 Ų123147.5 Ų147.575%0.74583%0.834SS**  trans-131.3109.4178.3-175.70000109.2I711V709-I711 PolarHBondContact O-N 2.71Å
710D33.4Very low38.9Very low148 Ų148149.7 Ų149.779%0.79184%0.84SS**  trans-58.6127.6174.1-83.3-54.3000111.8L712D710-L712 PolarHBondContact O-N 3.42Å
711I39.3Very low39.6Very low158 Ų158149.5 Ų149.581%0.8184%0.842SS**  trans-90.6100.1166.6-57.4177.8000108V709V709-I711 PolarHBondContact O-N 2.71Å
712L36.7Very low39.2Very low163 Ų163151.8 Ų151.885%0.85385%0.847SS**  trans-77.3138.8164.7-82.5167.4000110.6D710D710-L712 PolarHBondContact O-N 3.42Å
713T43Very low39.8Very low203 Ų203156.1 Ų156.1100%1.24586%0.857SS**  trans-770-171.1560000114.7

Retrieved 713 of 713 residues in 2096.1 ms (Link to these results)