A0A096MTT8_PAPAN Loading...

Serine/threonine-protein kinase 3

AlphaFold DB (A0A0D9RIR7), UniProt , Accession A0A096MTT8, Species PAPAN (Papio anubis, Olive baboon), Gene STK3, Length 491 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
1M40.5Very low49Very low246 Ų246136.8 Ų136.8100%1.21274%0.744SS**  092.90-71.5177.5-174.800106.2Q3M1-Q3 PolarHBondContact O-N 3.5Å
2E37.3Very low52.1Low193 Ų193139.8 Ų139.890%0.90274%0.744SS**PPolyproline II helixtrans-65.3130.8171-80.1176.8142.600108.2
3Q31.5Very low55.1Low181 Ų181138.2 Ų138.285%0.84673%0.726SS**PPolyproline II helixtrans-62.1140.3170.3-72-178-3.100108.4M1M1-Q3 PolarHBondContact O-N 3.5Å
4P39.3Very low57.7Low113 Ų113129.4 Ų129.473%0.73468%0.681SS**PPolyproline II helixtrans-59.2143.1171.426.2-31.8000108.9A6P4-A6 PolarHBondContact O-N 3.36Å
5P41.3Very low60Low123 Ų123124.9 Ų124.980%0.79966%0.664SS**PPolyproline II helixtrans-57.6136.2178.423.6-31.4000109.3
6A39.5Very low61.9Low82 Ų82127.2 Ų127.268%0.67867%0.67SS**PPolyproline II helixtrans-51.2144.9174.800000110.2P4 K8P4-A6 PolarHBondContact O-N 3.36Å; A6-K8 PolarHBondContact O-N 3Å
7P42.9Very low63.6Low127 Ų127127 Ų12783%0.82567%0.669SS**PPolyproline II helixtrans-55.9118.1179.121.8-30.6000109S9P7-S9 PolarHBondContact O-N 3.29Å
8K53.8Low65.2Low156 Ų156120.4 Ų120.468%0.67864%0.636SS**PPolyproline II helixtrans-53.8130.3176-62.1-169.1-175.4-178.60107.8A6 S49A6-K8 PolarHBondContact O-N 3Å; K8-S49 WeakPolarHBondContact CD-O 3.01Å
9S59.8Low66.6Low96 Ų96117.6 Ų117.667%0.67162%0.62SS**PPolyproline II helixtrans-58.9139.8-172.961.70000110.8P7 L11P7-S9 PolarHBondContact O-N 3.29Å; S9-L11 PolarHBondContact O-N 3.25Å
10K70.7Confident67.9Low168 Ų168117.2 Ų117.273%0.7362%0.623SS**PPolyproline II helixtrans-55.6128.6173.8-78.4-172.3175.7-173.80109K12K10-K12 PolarHBondContact O-N 3.28Å
11L82.5Confident69.1Low20 Ų20116.8 Ų116.811%0.10562%0.616CS.*PPolyproline II helixtrans-54.6130.5177.8-172.663.5000109.9S9 H46 Q51 V53 Y86S9-L11 PolarHBondContact O-N 3.25Å; L11-H46 HydrophobicContact CD2-CB 4.25Å; L11-Q51 HydrophobicContact CB-CB 4.06Å; L11-Q51 HydrophobicContact CB-CG 3.8Å; L11-Q51 HydrophobicContact CD2-CG 4.44Å; L11-V53 HydrophobicContact CD2-CG1 3.55Å; L11-Y86 HydrophobicContact CB-CE1 4.39Å; L11-Y86 HydrophobicContact CD2-CD1 4.46Å; L11-Y86 HydrophobicContact CD2-CD2 4.02Å; L11-Y86 HydrophobicContact CD2-CE2 4.1Å; L11-Y86 HydrophobicContact CD2-CG 4.21Å; L11-Y86 HydrophobicContact CG-CD1 4.33Å; L11-Y86 HydrophobicContact CG-CE1 4.31Å; L11-Y86 WeakPolarHBondContact O-CE1 3.31Å
12K86.6Confident71.6Confident172 Ų172109.1 Ų109.175%0.74858%0.577SS**  trans-97.4-174172.5-65.8-177.4-179.7177.60108.9K10 L14 Y86K10-K12 PolarHBondContact O-N 3.28Å; K12-L14 PolarHBondContact O-N 2.77Å; K12-Y86 WeakPolarHBondContact O-CD1 3.45Å
13K90.6Very high74.3Confident119 Ų119100 Ų10052%0.51754%0.535SS..SBendtrans-53.2141.8165.8-70.1-178.4176.4177.50109.7Q75K13-Q75 PolarHBondContact NZ-O 2.86Å
14L92Very high77.2Confident16 Ų1694.6 Ų94.68%0.08451%0.509CS..PPolyproline II helixtrans-60.8142.1179-66.9167.3000109.7K12 L19 F27 Y86 Y89 V98K12-L14 PolarHBondContact O-N 2.77Å; L14-L19 HydrophobicContact CB-CD1 4.43Å; L14-L19 HydrophobicContact CB-CD2 3.9Å; L14-L19 HydrophobicContact CB-CG 3.89Å; L14-L19 HydrophobicContact CD1-CD2 3.89Å; L14-F27 HydrophobicContact CD1-CE2 4.37Å; L14-F27 HydrophobicContact CD1-CZ 3.99Å; L14-F27 HydrophobicContact CD2-CZ 3.99Å; L14-Y86 PolarHBondContact N-O 3.31Å; L14-Y89 HydrophobicContact CD1-CE2 3.77Å; L14-V98 HydrophobicContact CD1-CB 4.43Å; L14-V98 HydrophobicContact CD1-CG2 4.36Å
15S91.4Very high79.8Confident62 Ų6295 Ų9543%0.43450%0.501SS..PPolyproline II helixtrans-70.5158.317460.50000110.4D17 S18 L19S15-D17 PolarHBondContact O-N 3.4Å; S15-S18 WeakPolarHBondContact O-CB 3.27Å; S15-S18 PolarHBondContact O-N 2.72Å; S15-S18 WeakPolarHBondContact OG-CB 3.41Å; S15-S18 PolarHBondContact OG-N 3.25Å; S15-L19 WeakPolarHBondContact O-CG 2.74Å; S15-L19 PolarHBondContact O-N 3.39Å
16E90.9Very high82.5Confident161 Ų16189.5 Ų89.575%0.75247%0.466SS*.Hα-helixtrans-56.8-41.6174-166.6173177.800111.4S18 L19 T20E16-S18 VanDerWaalsContact C-N 3.27Å; E16-S18 PolarHBondContact O-N 3.33Å; E16-L19 PolarHBondContact O-N 3.09Å; E16-L19 VanDerWaalsContact O-N 3.13Å; E16-T20 WeakPolarHBondContact O-CG2 3.27Å; E16-T20 PolarHBondContact O-N 2.93Å; E16-T20 VanDerWaalsContact O-N 3.12Å; E16-T20 PolarHBondContact O-OG1 3.3Å
17D90.1Very high85.2Confident124 Ų12485.8 Ų85.866%0.66343%0.434SS*.Hα-helixtrans-60.2-33.8174-60.7-24.5000113.2S15 T20S15-D17 PolarHBondContact O-N 3.4Å; D17-T20 PolarHBondContact O-OG1 3.13Å; D17-T20 VanDerWaalsContact O-OG1 3.05Å
18S92Very high87.7Confident9 Ų983.4 Ų83.46%0.06342%0.415CS..Hα-helixtrans-78-32.2176.8-169.70000112S15 E16 T20 V26 Y89S15-S18 WeakPolarHBondContact O-CB 3.27Å; S15-S18 PolarHBondContact O-N 2.72Å; S15-S18 WeakPolarHBondContact OG-CB 3.41Å; S15-S18 PolarHBondContact OG-N 3.25Å; E16-S18 VanDerWaalsContact C-N 3.27Å; E16-S18 PolarHBondContact O-N 3.33Å; S18-T20 VanDerWaalsContact C-N 3.33Å; S18-V26 WeakPolarHBondContact OG-CG1 3.44Å; S18-Y89 WeakPolarHBondContact O-CE1 3.25Å; S18-Y89 PolarHBondContact O-OH 2.85Å
19L92.8Very high89.7Confident66 Ų6678.7 Ų78.735%0.34640%0.399SS..Hα-helixtrans-75.8-19.9-179.6-71.7170.4000113.1L14 S15 E16 Y89L14-L19 HydrophobicContact CB-CD1 4.43Å; L14-L19 HydrophobicContact CB-CD2 3.9Å; L14-L19 HydrophobicContact CB-CG 3.89Å; L14-L19 HydrophobicContact CD1-CD2 3.89Å; S15-L19 WeakPolarHBondContact O-CG 2.74Å; S15-L19 PolarHBondContact O-N 3.39Å; E16-L19 PolarHBondContact O-N 3.09Å; E16-L19 VanDerWaalsContact O-N 3.13Å; L19-Y89 HydrophobicContact CD2-CE2 4.25Å
20T91.6Very high91.2Very high110 Ų11078.1 Ų78.168%0.67539%0.388SS*.THydrogen-bonded Turntrans-84.7-13.1177.350.10000113.9E16 D17 S18E16-T20 WeakPolarHBondContact O-CG2 3.27Å; E16-T20 PolarHBondContact O-N 2.93Å; E16-T20 VanDerWaalsContact O-N 3.12Å; E16-T20 PolarHBondContact O-OG1 3.3Å; D17-T20 PolarHBondContact O-OG1 3.13Å; D17-T20 VanDerWaalsContact O-OG1 3.05Å; S18-T20 VanDerWaalsContact C-N 3.33Å
21K94.3Very high92.1Very high108 Ų10873.2 Ų73.247%0.4737%0.368SS..SBendtrans-82.3161.5175.5-65.3179.3-173.2179.20111.6V26 Y89K21-V26 HydrophobicContact CB-CG2 3.81Å; K21-V26 HydrophobicContact CD-CG2 4.21Å; K21-Y89 WeakPolarHBondContact O-CD1 3.36Å; K21-Y89 VanDerWaalsContact O-CE1 3.28Å; K21-Y89 WeakPolarHBondContact O-CE1 3.34Å
22Q93.2Very high92.4Very high86 Ų8677.1 Ų77.140%0.40238%0.384SS..  trans-65.3141.6169-66.9-67-41.300110E24 E25Q22-E24 PolarHBondContact O-N 3.3Å; Q22-E25 HydrophobicContact CB-CG 4.14Å; Q22-E25 WeakPolarHBondContact O-CB 3.44Å; Q22-E25 PolarHBondContact O-N 3.36Å
23P94.2Very high92.5Very high2 Ų271 Ų711%0.01336%0.358CS..Hα-helixtrans-59.5-33.2-175.321.6-31.1000112.8E25 V26 F27 Y89 K91 W96P23-E25 VanDerWaalsContact C-N 3.26Å; P23-E25 PolarHBondContact O-N 3.19Å; P23-V26 PolarHBondContact O-N 3.05Å; P23-V26 VanDerWaalsContact O-N 3.09Å; P23-F27 WeakPolarHBondContact O-CD2 3.39Å; P23-F27 PolarHBondContact O-N 2.67Å; P23-Y89 HydrophobicContact CB-CD1 4.2Å; P23-Y89 HydrophobicContact CB-CD2 4.2Å; P23-Y89 HydrophobicContact CB-CG 3.91Å; P23-Y89 HydrophobicContact CG-CG 4.4Å; P23-K91 HydrophobicContact CG-CB 4.11Å; P23-K91 HydrophobicContact CG-CD 4.27Å; P23-K91 HydrophobicContact CG-CG 4.26Å; P23-W96 HydrophobicContact CB-CD2 4.37Å; P23-W96 HydrophobicContact CB-CE3 3.67Å; P23-W96 HydrophobicContact CB-CZ3 3.86Å; P23-W96 HydrophobicContact CG-CD2 4.28Å; P23-W96 HydrophobicContact CG-CE3 3.99Å; P23-W96 HydrophobicContact CG-CZ3 4.13Å
24E92.4Very high92.1Very high66 Ų6666.8 Ų66.831%0.30835%0.349SS..Hα-helixtrans-71.2-20179.4-5184175.700112.8Q22 V26 K47 K91Q22-E24 PolarHBondContact O-N 3.3Å; E24-V26 VanDerWaalsContact C-N 3.29Å; E24-K47 PolarHBondContact O-NZ 2.93Å; E24-K91 WeakPolarHBondContact OE1-CD 3.05Å; E24-K91 WeakPolarHBondContact OE1-CE 3.48Å; E24-K91 IonicContact OE1-NZ 3.9Å; E24-K91 PolarHBondContact OE1-NZ 3.44Å; E24-K91 IonicContact OE2-NZ 3.9Å; E24-K91 PolarHBondContact OE2-NZ 3.01Å
25E93.8Very high91.6Very high121 Ų12172.7 Ų72.757%0.56538%0.376SS*.Hα-helixtrans-77.1-20.9172.3-64.7175.4-163.100112Q22 P23 K47Q22-E25 HydrophobicContact CB-CG 4.14Å; Q22-E25 WeakPolarHBondContact O-CB 3.44Å; Q22-E25 PolarHBondContact O-N 3.36Å; P23-E25 VanDerWaalsContact C-N 3.26Å; P23-E25 PolarHBondContact O-N 3.19Å; E25-K47 WeakPolarHBondContact O-CD 3.47Å
26V96.4Very high90.6Very high9 Ų971.9 Ų71.96%0.05538%0.378CS..Hα-helixtrans-103.8-33.5-173.4-178.10000111.7S18 K21 P23 E24 K47S18-V26 WeakPolarHBondContact OG-CG1 3.44Å; K21-V26 HydrophobicContact CB-CG2 3.81Å; K21-V26 HydrophobicContact CD-CG2 4.21Å; P23-V26 PolarHBondContact O-N 3.05Å; P23-V26 VanDerWaalsContact O-N 3.09Å; E24-V26 VanDerWaalsContact C-N 3.29Å; V26-K47 WeakPolarHBondContact O-CB 3.3Å; V26-K47 WeakPolarHBondContact O-CG 3.25Å; V26-K47 PolarHBondContact O-N 3.11Å
27F97Very high89.4Confident3 Ų369.9 Ų69.91%0.01338%0.382CS..EExtended strand (participates in β ladder)trans-124.9142.7-175.5-58.8-82.1000112L14 P23 A44 I45 H46 V53 I55 Y89 V98L14-F27 HydrophobicContact CD1-CE2 4.37Å; L14-F27 HydrophobicContact CD1-CZ 3.99Å; L14-F27 HydrophobicContact CD2-CZ 3.99Å; P23-F27 WeakPolarHBondContact O-CD2 3.39Å; P23-F27 PolarHBondContact O-N 2.67Å; F27-A44 HydrophobicContact CB-CB 4.28Å; F27-I45 VanDerWaalsContact CA-O 3.3Å; F27-I45 WeakPolarHBondContact CA-O 3.39Å; F27-H46 HydrophobicContact CD1-CB 4.05Å; F27-H46 HydrophobicContact CE1-CB 3.82Å; F27-H46 AromaticContact CE1-CD2 3.55Å; F27-H46 AromaticContact CZ-CD2 3.87Å; F27-V53 HydrophobicContact CD1-CG2 3.77Å; F27-V53 HydrophobicContact CE1-CG2 3.78Å; F27-I55 HydrophobicContact CB-CD1 4.03Å; F27-I55 HydrophobicContact CD1-CD1 4.37Å; F27-I55 HydrophobicContact CD2-CD1 4.24Å; F27-I55 HydrophobicContact CG-CD1 3.95Å; F27-Y89 AromaticContact CE2-CE2 3.69Å; F27-Y89 HydrophobicContact CE2-CE2 3.69Å; F27-V98 HydrophobicContact CE1-CG1 3.92Å; F27-V98 HydrophobicContact CE2-CG2 4.04Å; F27-V98 HydrophobicContact CZ-CB 4.49Å; F27-V98 HydrophobicContact CZ-CG1 3.73Å; F27-V98 HydrophobicContact CZ-CG2 4.06Å
28D95.9Very high88.6Confident78 Ų7869.6 Ų69.642%0.41737%0.372SS..EExtended strand (participates in β ladder)trans-94.2107.9160.7-68.6-48.2000108A44 I45 K47D28-A44 CarbonylContact O-C 3.6Å; D28-A44 WeakPolarHBondContact O-CA 3.39Å; D28-A44 WeakPolarHBondContact O-CB 3.26Å; D28-I45 PolarHBondContact N-O 3.33Å; D28-I45 PolarHBondContact O-N 2.7Å; D28-K47 WeakPolarHBondContact OD1-CE 3.38Å; D28-K47 IonicContact OD1-NZ 3.13Å; D28-K47 PolarHBondContact OD1-NZ 2.94Å; D28-K47 VanDerWaalsContact OD1-NZ 3.13Å; D28-K47 VanDerWaalsContact OD2-CE 3.25Å; D28-K47 WeakPolarHBondContact OD2-CE 3.36Å; D28-K47 WeakPolarHBondContact OD2-CG 3.38Å
29V94.3Very high88.1Confident57 Ų5769.8 Ų69.835%0.34538%0.376SS..EExtended strand (participates in β ladder)trans-74.5131.5174.6-175.80000108.5F42 I55 W96V29-F42 HydrophobicContact CG1-CB 3.86Å; V29-F42 HydrophobicContact CG1-CD1 4.06Å; V29-F42 HydrophobicContact CG1-CG 4.12Å; V29-I55 HydrophobicContact CG2-CD1 4.38Å; V29-W96 HydrophobicContact CG2-CH2 4.13Å; V29-W96 HydrophobicContact CG2-CZ3 3.85Å
30L92.7Very high87.9Confident83 Ų8367.7 Ų67.744%0.43537%0.367SS..EExtended strand (participates in β ladder)trans-109.2-127.5-177.9-55.4179.8000109.3K43 I45L30-K43 HydrophobicContact CB-CB 4.43Å; L30-K43 WeakPolarHBondContact CB-O 3.5Å; L30-K43 HydrophobicContact CD1-CD 4.35Å; L30-K43 HydrophobicContact CD1-CG 4.31Å; L30-K43 PolarHBondContact N-O 3.31Å; L30-I45 HydrophobicContact CD1-CD1 3.83Å; L30-I45 HydrophobicContact CD1-CG1 3.87Å
31E88.4Confident87.9Confident66 Ų6664.1 Ų64.131%0.30835%0.345SS..EExtended strand (participates in β ladder)trans-77.5147.9-177.468.6-157.816100113.6L33 K43 H302E31-L33 HydrophobicContact CG-CD2 4.34Å; E31-L33 PolarHBondContact O-N 3.26Å; E31-K43 HydrophobicContact CG-CB 4.11Å; E31-K43 HydrophobicContact CG-CD 4.11Å; E31-K43 PolarHBondContact O-N 3.49Å; E31-K43 WeakPolarHBondContact OE1-CD 3.47Å; E31-K43 IonicContact OE1-NZ 2.85Å; E31-K43 PolarHBondContact OE1-NZ 2.84Å; E31-H302 IonicContact OE2-NE2 2.94Å
32K90.4Very high87.9Confident102 Ų10260.7 Ų60.744%0.44333%0.33SS..EExtended strand (participates in β ladder)trans-68.8124.3166.6-173171.4175.3173.30108.9E35 S40 F42K32-E35 IonicContact NZ-OE2 3.52Å; K32-E35 PolarHBondContact NZ-OE2 2.96Å; K32-S40 VanDerWaalsContact CE-OG 3.28Å; K32-S40 WeakPolarHBondContact CE-OG 3.38Å; K32-S40 PolarHBondContact NZ-OG 3.34Å; K32-F42 HydrophobicContact CB-CD1 3.91Å; K32-F42 HydrophobicContact CB-CE1 3.68Å; K32-F42 HydrophobicContact CB-CZ 4.43Å; K32-F42 HydrophobicContact CD-CE1 4.29Å; K32-F42 HydrophobicContact CD-CZ 4.26Å; K32-F42 HydrophobicContact CG-CD1 4.35Å; K32-F42 HydrophobicContact CG-CE1 3.96Å; K32-F42 HydrophobicContact CG-CZ 4.22Å
33L87.8Confident88Confident42 Ų4258.8 Ų58.822%0.2232%0.32CS..EExtended strand (participates in β ladder)trans-87-28.9179.9-65.9172.5000112.5E31 V41 K43 Y101E31-L33 HydrophobicContact CG-CD2 4.34Å; E31-L33 PolarHBondContact O-N 3.26Å; L33-V41 HydrophobicContact CB-CG1 4.5Å; L33-V41 WeakPolarHBondContact CB-O 3.43Å; L33-V41 HydrophobicContact CD1-CG1 4.23Å; L33-V41 PolarHBondContact N-O 3.38Å; L33-K43 HydrophobicContact CD1-CB 3.96Å; L33-K43 HydrophobicContact CD2-CB 3.99Å; L33-K43 HydrophobicContact CD2-CD 4.49Å; L33-K43 HydrophobicContact CG-CB 3.95Å; L33-Y101 HydrophobicContact CD1-CD2 4.07Å; L33-Y101 HydrophobicContact CD1-CE2 3.67Å; L33-Y101 HydrophobicContact CD2-CE2 4.1Å
34G83.3Confident88.2Confident31 Ų3158.7 Ų58.732%0.3232%0.32SS..EExtended strand (participates in β ladder)trans169178.8-179.800000112.3V41G34-V41 PolarHBondContact N-O 3.38Å; G34-V41 PolarHBondContact O-N 3.46Å
35E81.3Confident88.4Confident140 Ų14058.2 Ų58.265%0.65432%0.319SS*.EExtended strand (participates in β ladder)trans-139.2136.9177.2-174.4175.3164.100108.6K32K32-E35 IonicContact NZ-OE2 3.52Å; K32-E35 PolarHBondContact NZ-OE2 2.96Å
36G70.8Confident88.5Confident46 Ų4652.9 Ų52.947%0.47429%0.294SS..EExtended strand (participates in β ladder)trans-128.9-174.4176.200000111.2Y38 G39G36-Y38 PolarHBondContact O-N 3.33Å; G36-G39 PolarHBondContact N-O 3.17Å; G36-G39 PolarHBondContact O-N 2.85Å; G36-G39 VanDerWaalsContact O-N 3.11Å
37S65.1Low88.4Confident119 Ų11956.8 Ų56.883%0.83231%0.31SS*.THydrogen-bonded Turntrans-58.7-20.1-176.4-41.90000114.9
38Y72Confident88.3Confident117 Ų11764.8 Ų64.846%0.45935%0.347SS..THydrogen-bonded Turntrans-110.94.7-175.2-55.9-81.8000112.8G36 V58 A168G36-Y38 PolarHBondContact O-N 3.33Å; Y38-V58 VanDerWaalsContact O-CG1 3.26Å; Y38-V58 WeakPolarHBondContact O-CG1 3.26Å; Y38-V58 WeakPolarHBondContact O-CG2 3.37Å; Y38-A168 HydrophobicContact CE1-CB 4.06Å; Y38-A168 WeakPolarHBondContact OH-CB 3.22Å
39G81.4Confident88.1Confident14 Ų1462 Ų6214%0.14433%0.334CS..EExtended strand (participates in β ladder)trans129.8-167.1177.100000114.4G36 Q57G36-G39 PolarHBondContact N-O 3.17Å; G36-G39 PolarHBondContact O-N 2.85Å; G36-G39 VanDerWaalsContact O-N 3.11Å; G39-Q57 WeakPolarHBondContact CA-O 3.38Å
40S89.4Confident88.1Confident21 Ų2161 Ų6115%0.14734%0.335CS..EExtended strand (participates in β ladder)trans-100.7144.1-171.1-70.90000111.9K32 F42 K56 Q57K32-S40 VanDerWaalsContact CE-OG 3.28Å; K32-S40 WeakPolarHBondContact CE-OG 3.38Å; K32-S40 PolarHBondContact NZ-OG 3.34Å; S40-F42 VanDerWaalsContact CB-CE2 3.45Å; S40-K56 CarbonylContact O-C 3.59Å; S40-K56 WeakPolarHBondContact O-CA 3.44Å; S40-Q57 PolarHBondContact N-O 2.96Å; S40-Q57 VanDerWaalsContact N-O 3.14Å; S40-Q57 PolarHBondContact O-N 3.13Å
41V92.4Very high88.1Confident35 Ų3560.4 Ų60.421%0.21233%0.33CS..EExtended strand (participates in β ladder)trans-114.5129.4177.1-1720000109.2L33 G34 A54 I55 K56 M99L33-V41 HydrophobicContact CB-CG1 4.5Å; L33-V41 WeakPolarHBondContact CB-O 3.43Å; L33-V41 HydrophobicContact CD1-CG1 4.23Å; L33-V41 PolarHBondContact N-O 3.38Å; G34-V41 PolarHBondContact N-O 3.38Å; G34-V41 PolarHBondContact O-N 3.46Å; V41-A54 HydrophobicContact CG1-CB 4.27Å; V41-I55 CarbonylContact C-O 3.58Å; V41-I55 WeakPolarHBondContact CA-O 3.34Å; V41-K56 HydrophobicContact CG2-CB 4.22Å; V41-K56 HydrophobicContact CG2-CD 4.47Å; V41-K56 HydrophobicContact CG2-CG 4.05Å; V41-M99 HydrophobicContact CG1-CE 3.95Å
42F94.4Very high88.5Confident37 Ų3759.3 Ų59.316%0.16233%0.328CS..EExtended strand (participates in β ladder)trans-119.3149.2-179.2-64.1-94.7000111.2V29 K32 S40 A54 I55 Q57V29-F42 HydrophobicContact CG1-CB 3.86Å; V29-F42 HydrophobicContact CG1-CD1 4.06Å; V29-F42 HydrophobicContact CG1-CG 4.12Å; K32-F42 HydrophobicContact CB-CD1 3.91Å; K32-F42 HydrophobicContact CB-CE1 3.68Å; K32-F42 HydrophobicContact CB-CZ 4.43Å; K32-F42 HydrophobicContact CD-CE1 4.29Å; K32-F42 HydrophobicContact CD-CZ 4.26Å; K32-F42 HydrophobicContact CG-CD1 4.35Å; K32-F42 HydrophobicContact CG-CE1 3.96Å; K32-F42 HydrophobicContact CG-CZ 4.22Å; S40-F42 VanDerWaalsContact CB-CE2 3.45Å; F42-A54 CarbonylContact O-C 3.5Å; F42-A54 VanDerWaalsContact O-CA 3.31Å; F42-A54 WeakPolarHBondContact O-CA 3.18Å; F42-I55 PolarHBondContact N-O 3.07Å; F42-I55 PolarHBondContact O-N 3.1Å; F42-Q57 HydrophobicContact CD2-CG 4.17Å; F42-Q57 HydrophobicContact CE2-CG 4.2Å
43K95.4Very high88.8Confident46 Ų4654.5 Ų54.520%0.231%0.307CS..EExtended strand (participates in β ladder)trans-82.9140.1166-172.5178.4172.7-179.30108.4L30 E31 L33 V52 Y101L30-K43 HydrophobicContact CB-CB 4.43Å; L30-K43 WeakPolarHBondContact CB-O 3.5Å; L30-K43 HydrophobicContact CD1-CD 4.35Å; L30-K43 HydrophobicContact CD1-CG 4.31Å; L30-K43 PolarHBondContact N-O 3.31Å; E31-K43 HydrophobicContact CG-CB 4.11Å; E31-K43 HydrophobicContact CG-CD 4.11Å; E31-K43 PolarHBondContact O-N 3.49Å; E31-K43 WeakPolarHBondContact OE1-CD 3.47Å; E31-K43 IonicContact OE1-NZ 2.85Å; E31-K43 PolarHBondContact OE1-NZ 2.84Å; L33-K43 HydrophobicContact CD1-CB 3.96Å; L33-K43 HydrophobicContact CD2-CB 3.99Å; L33-K43 HydrophobicContact CD2-CD 4.49Å; L33-K43 HydrophobicContact CG-CB 3.95Å; K43-V52 HydrophobicContact CG-CG1 3.87Å; K43-Y101 HydrophobicContact CD-CE2 4.27Å; K43-Y101 HydrophobicContact CG-CD2 4.48Å; K43-Y101 HydrophobicContact CG-CE2 4.07Å
44A97.1Very high89.2Confident0 Ų052.8 Ų52.80%030%0.299CS..EExtended strand (participates in β ladder)trans-144.4161.4175.200000111.5F27 D28 V52 V53 I55F27-A44 HydrophobicContact CB-CB 4.28Å; D28-A44 CarbonylContact O-C 3.6Å; D28-A44 WeakPolarHBondContact O-CA 3.39Å; D28-A44 WeakPolarHBondContact O-CB 3.26Å; A44-V52 WeakPolarHBondContact O-CA 3.28Å; A44-V53 HydrophobicContact CB-CG2 3.94Å; A44-V53 PolarHBondContact N-O 3.5Å; A44-V53 PolarHBondContact O-N 2.88Å; A44-I55 HydrophobicContact CB-CD1 3.54Å; A44-I55 HydrophobicContact CB-CG1 3.95Å
45I96.8Very high89.8Confident56 Ų5651.3 Ų51.329%0.28728%0.283SS..EExtended strand (participates in β ladder)trans-111.8126.2173.1-64173.6000108.4F27 D28 L30 K47F27-I45 VanDerWaalsContact CA-O 3.3Å; F27-I45 WeakPolarHBondContact CA-O 3.39Å; D28-I45 PolarHBondContact N-O 3.33Å; D28-I45 PolarHBondContact O-N 2.7Å; L30-I45 HydrophobicContact CD1-CD1 3.83Å; L30-I45 HydrophobicContact CD1-CG1 3.87Å; I45-K47 PolarHBondContact O-N 2.91Å
46H96.8Very high90.3Very high8 Ų845.4 Ų45.44%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-70.8115169.2-178.4-114.9000109.5L11 F27 E48 S49 G50 Q51L11-H46 HydrophobicContact CD2-CB 4.25Å; F27-H46 HydrophobicContact CD1-CB 4.05Å; F27-H46 HydrophobicContact CE1-CB 3.82Å; F27-H46 AromaticContact CE1-CD2 3.55Å; F27-H46 AromaticContact CZ-CD2 3.87Å; H46-E48 PolarHBondContact O-N 3.07Å; H46-S49 PolarHBondContact ND1-N 2.68Å; H46-S49 PolarHBondContact ND1-OG 2.88Å; H46-S49 PolarHBondContact O-N 3.17Å; H46-G50 VanDerWaalsContact O-CA 3.27Å; H46-G50 WeakPolarHBondContact O-CA 3.46Å; H46-G50 PolarHBondContact O-N 3.36Å; H46-Q51 PolarHBondContact N-O 3.2Å
47K94.8Very high91.3Very high91 Ų9144.9 Ų44.940%0.39624%0.241SC..THydrogen-bonded Turntrans-57-44.8-168.6-74.8173.8171.9177.70113.5E24 E25 V26 D28 I45E24-K47 PolarHBondContact O-NZ 2.93Å; E25-K47 WeakPolarHBondContact O-CD 3.47Å; V26-K47 WeakPolarHBondContact O-CB 3.3Å; V26-K47 WeakPolarHBondContact O-CG 3.25Å; V26-K47 PolarHBondContact O-N 3.11Å; D28-K47 WeakPolarHBondContact OD1-CE 3.38Å; D28-K47 IonicContact OD1-NZ 3.13Å; D28-K47 PolarHBondContact OD1-NZ 2.94Å; D28-K47 VanDerWaalsContact OD1-NZ 3.13Å; D28-K47 VanDerWaalsContact OD2-CE 3.25Å; D28-K47 WeakPolarHBondContact OD2-CE 3.36Å; D28-K47 WeakPolarHBondContact OD2-CG 3.38Å; I45-K47 PolarHBondContact O-N 2.91Å
48E93.1Very high92.3Very high172 Ų17239.4 Ų39.480%0.80420%0.202SC*.THydrogen-bonded Turntrans-69.7-45.3-175.1-172.7-176.8170.800112.3H46H46-E48 PolarHBondContact O-N 3.07Å
49S92.8Very high93Very high19 Ų1936.7 Ų36.713%0.13320%0.199CC..THydrogen-bonded Turntrans-93.9-15-175.868.90000113.9K8 H46 Q51K8-S49 WeakPolarHBondContact CD-O 3.01Å; H46-S49 PolarHBondContact ND1-N 2.68Å; H46-S49 PolarHBondContact ND1-OG 2.88Å; H46-S49 PolarHBondContact O-N 3.17Å; S49-Q51 PolarHBondContact O-N 3.02Å; S49-Q51 VanDerWaalsContact OG-CB 3.27Å; S49-Q51 WeakPolarHBondContact OG-CB 3.38Å; S49-Q51 PolarHBondContact OG-N 2.87Å
50G93.3Very high92.9Very high35 Ų3538 Ų3836%0.36120%0.204SC..  trans64.112.2-169.300000114.1H46H46-G50 VanDerWaalsContact O-CA 3.27Å; H46-G50 WeakPolarHBondContact O-CA 3.46Å; H46-G50 PolarHBondContact O-N 3.36Å
51Q94.3Very high92.1Very high71 Ų7145.7 Ų45.733%0.33224%0.238SC..  trans-75133.1179.8-178.267.845.100110L11 H46 S49L11-Q51 HydrophobicContact CB-CB 4.06Å; L11-Q51 HydrophobicContact CB-CG 3.8Å; L11-Q51 HydrophobicContact CD2-CG 4.44Å; H46-Q51 PolarHBondContact N-O 3.2Å; S49-Q51 PolarHBondContact O-N 3.02Å; S49-Q51 VanDerWaalsContact OG-CB 3.27Å; S49-Q51 WeakPolarHBondContact OG-CB 3.38Å; S49-Q51 PolarHBondContact OG-N 2.87Å
52V95.8Very high90.8Very high44 Ų4446.3 Ų46.327%0.26724%0.244SC..EExtended strand (participates in β ladder)trans-74.6132.4172.1-172.40000110K43 A44 Y101K43-V52 HydrophobicContact CG-CG1 3.87Å; A44-V52 WeakPolarHBondContact O-CA 3.28Å; V52-Y101 HydrophobicContact CB-CD1 4.21Å; V52-Y101 HydrophobicContact CG1-CD1 3.53Å; V52-Y101 HydrophobicContact CG1-CD2 4.33Å; V52-Y101 HydrophobicContact CG1-CE1 3.95Å; V52-Y101 HydrophobicContact CG1-CG 3.73Å
53V96.8Very high89.6Confident0 Ų048.9 Ų48.90%026%0.259CS..EExtended strand (participates in β ladder)trans-130.6166178.7-59.50000110.5L11 F27 A44 I55 Y86 V98L11-V53 HydrophobicContact CD2-CG1 3.55Å; F27-V53 HydrophobicContact CD1-CG2 3.77Å; F27-V53 HydrophobicContact CE1-CG2 3.78Å; A44-V53 HydrophobicContact CB-CG2 3.94Å; A44-V53 PolarHBondContact N-O 3.5Å; A44-V53 PolarHBondContact O-N 2.88Å; V53-I55 HydrophobicContact CG2-CG1 4.36Å; V53-Y86 HydrophobicContact CG1-CD2 4.17Å; V53-Y86 HydrophobicContact CG1-CE2 4.07Å; V53-V98 HydrophobicContact CB-CG1 4.17Å; V53-V98 HydrophobicContact CG1-CG1 4.46Å; V53-V98 HydrophobicContact CG2-CG1 4.06Å
54A96.2Very high88.7Confident6 Ų649.2 Ų49.25%0.0526%0.263CS..EExtended strand (participates in β ladder)trans-108.9140.1166.800000109.5V41 F42 M99 Y101V41-A54 HydrophobicContact CG1-CB 4.27Å; F42-A54 CarbonylContact O-C 3.5Å; F42-A54 VanDerWaalsContact O-CA 3.31Å; F42-A54 WeakPolarHBondContact O-CA 3.18Å; A54-M99 HydrophobicContact CB-CE 4.05Å; A54-M99 HydrophobicContact CB-CG 3.92Å; A54-M99 PolarHBondContact N-O 3.05Å; A54-M99 WeakPolarHBondContact O-CG 3.43Å; A54-M99 PolarHBondContact O-N 2.92Å; A54-Y101 HydrophobicContact CB-CD2 4.35Å
55I95.4Very high87.7Confident0 Ų057.5 Ų57.50%030%0.301CS..EExtended strand (participates in β ladder)trans-119.9116.3176.3-59.1-178.3000107.8F27 V29 V41 F42 A44 V53 Q57 W96 I97 V98F27-I55 HydrophobicContact CB-CD1 4.03Å; F27-I55 HydrophobicContact CD1-CD1 4.37Å; F27-I55 HydrophobicContact CD2-CD1 4.24Å; F27-I55 HydrophobicContact CG-CD1 3.95Å; V29-I55 HydrophobicContact CG2-CD1 4.38Å; V41-I55 CarbonylContact C-O 3.58Å; V41-I55 WeakPolarHBondContact CA-O 3.34Å; F42-I55 PolarHBondContact N-O 3.07Å; F42-I55 PolarHBondContact O-N 3.1Å; A44-I55 HydrophobicContact CB-CD1 3.54Å; A44-I55 HydrophobicContact CB-CG1 3.95Å; V53-I55 HydrophobicContact CG2-CG1 4.36Å; I55-Q57 HydrophobicContact CG2-CG 4.37Å; I55-W96 HydrophobicContact CD1-CE3 4.25Å; I55-W96 HydrophobicContact CD1-CZ3 4.37Å; I55-W96 HydrophobicContact CG2-CB 4.02Å; I55-W96 HydrophobicContact CG2-CD2 4.04Å; I55-W96 HydrophobicContact CG2-CE3 3.63Å; I55-W96 HydrophobicContact CG2-CG 4.24Å; I55-W96 HydrophobicContact CG2-CZ3 4.4Å; I55-I97 WeakPolarHBondContact CA-O 3.4Å; I55-V98 HydrophobicContact CG1-CG2 4.37Å
56K92.2Very high86.7Confident17 Ų1756.4 Ų56.47%0.07430%0.295CS..EExtended strand (participates in β ladder)trans-95.8118.3173.2-177.5176.4-173.4-175.80108.5S40 V41 V58 W96 I97 M99 D164S40-K56 CarbonylContact O-C 3.59Å; S40-K56 WeakPolarHBondContact O-CA 3.44Å; V41-K56 HydrophobicContact CG2-CB 4.22Å; V41-K56 HydrophobicContact CG2-CD 4.47Å; V41-K56 HydrophobicContact CG2-CG 4.05Å; K56-V58 HydrophobicContact CD-CG2 4.41Å; K56-V58 HydrophobicContact CG-CG2 3.92Å; K56-W96 CarbonylContact O-C 3.39Å; K56-W96 WeakPolarHBondContact O-CA 3.34Å; K56-I97 HydrophobicContact CB-CB 4.35Å; K56-I97 PolarHBondContact N-O 2.71Å; K56-I97 PolarHBondContact O-N 3.07Å; K56-M99 HydrophobicContact CB-CE 3.58Å; K56-M99 HydrophobicContact CD-CE 4.32Å; K56-D164 IonicContact NZ-OD1 2.62Å; K56-D164 PolarHBondContact NZ-OD1 3.31Å
57Q91.2Very high85.8Confident35 Ų3556.6 Ų56.616%0.16430%0.296CS..EExtended strand (participates in β ladder)trans-96.2120.4176.7-65.1176.8-11.300108.4G39 S40 F42 I55 W96G39-Q57 WeakPolarHBondContact CA-O 3.38Å; S40-Q57 PolarHBondContact N-O 2.96Å; S40-Q57 VanDerWaalsContact N-O 3.14Å; S40-Q57 PolarHBondContact O-N 3.13Å; F42-Q57 HydrophobicContact CD2-CG 4.17Å; F42-Q57 HydrophobicContact CE2-CG 4.2Å; I55-Q57 HydrophobicContact CG2-CG 4.37Å; Q57-W96 HydrophobicContact CG-CD2 4.06Å; Q57-W96 HydrophobicContact CG-CG 4.09Å; Q57-W96 HydrophobicContact CG-CZ2 4.46Å; Q57-W96 VanDerWaalsContact NE2-CE2 3.3Å
58V87.8Confident85.1Confident3 Ų356.5 Ų56.52%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-123.1120.7-176.3-177.80000109Y38 K56 V60 I67 D94 L95 I97Y38-V58 VanDerWaalsContact O-CG1 3.26Å; Y38-V58 WeakPolarHBondContact O-CG1 3.26Å; Y38-V58 WeakPolarHBondContact O-CG2 3.37Å; K56-V58 HydrophobicContact CD-CG2 4.41Å; K56-V58 HydrophobicContact CG-CG2 3.92Å; V58-V60 PolarHBondContact O-N 3.29Å; V58-I67 HydrophobicContact CB-CD1 4.43Å; V58-I67 HydrophobicContact CG1-CD1 3.33Å; V58-I67 HydrophobicContact CG1-CG1 4.18Å; V58-D94 WeakPolarHBondContact O-CA 3.35Å; V58-L95 PolarHBondContact N-O 3.03Å; V58-L95 PolarHBondContact O-N 3.38Å; V58-I97 HydrophobicContact CG2-CD1 4.15Å
59P85.3Confident84.4Confident61 Ų6152 Ų5240%0.39628%0.277SS..EExtended strand (participates in β ladder)trans-60128.2176.5-24.134.1000111.7E61 S62 D94P59-E61 PolarHBondContact O-N 3.12Å; P59-S62 WeakPolarHBondContact O-CB 3.36Å; P59-S62 PolarHBondContact O-N 3.48Å; P59-S62 VanDerWaalsContact O-N 3.13Å; P59-S62 PolarHBondContact O-OG 3.38Å; P59-D94 VanDerWaalsContact CA-OD1 3.31Å; P59-D94 WeakPolarHBondContact CA-OD1 3.18Å
60V79.2Confident83.8Confident41 Ų4152.3 Ų52.325%0.24828%0.276CS..THydrogen-bonded Turntrans-69.2-19.3-176.5177.50000112.4V58 S62 L64 F90 T93 L95V58-V60 PolarHBondContact O-N 3.29Å; V60-S62 PolarHBondContact O-N 3.42Å; V60-L64 HydrophobicContact CG1-CD1 4.09Å; V60-L64 HydrophobicContact CG1-CD2 4.04Å; V60-L64 HydrophobicContact CG1-CG 4.47Å; V60-F90 HydrophobicContact CG1-CE1 4.28Å; V60-F90 HydrophobicContact CG2-CD1 3.93Å; V60-F90 HydrophobicContact CG2-CE1 3.65Å; V60-T93 VanDerWaalsContact CB-O 3.24Å; V60-T93 WeakPolarHBondContact CB-O 3.48Å; V60-T93 WeakPolarHBondContact CG2-O 3.4Å; V60-T93 PolarHBondContact N-O 2.97Å; V60-L95 HydrophobicContact CG2-CB 4.17Å
61E72.6Confident83.3Confident183 Ų18351.3 Ų51.386%0.85526%0.263SS*.THydrogen-bonded Turntrans-63.4-14.6172-61-173.7175.700113.4P59P59-E61 PolarHBondContact O-N 3.12Å
62S65.3Low82.8Confident48 Ų4849.9 Ų49.934%0.33626%0.26SS..SBendtrans-75.7174.6170.267.90000112P59 V60 L64 I67P59-S62 WeakPolarHBondContact O-CB 3.36Å; P59-S62 PolarHBondContact O-N 3.48Å; P59-S62 VanDerWaalsContact O-N 3.13Å; P59-S62 PolarHBondContact O-OG 3.38Å; V60-S62 PolarHBondContact O-N 3.42Å; S62-L64 VanDerWaalsContact C-N 3.26Å; S62-L64 PolarHBondContact O-N 2.87Å; S62-I67 WeakPolarHBondContact OG-CD1 3.45Å
63D70.6Confident82.1Confident90 Ų9049.4 Ų49.448%0.48126%0.256SS..  trans-5977.9-178.2-76.5-27.6000112.4Q65 E66 I67 K177D63-Q65 PolarHBondContact O-N 3.27Å; D63-Q65 VanDerWaalsContact O-N 3.11Å; D63-E66 HydrophobicContact CB-CB 4.14Å; D63-E66 HydrophobicContact CB-CG 3.96Å; D63-E66 WeakPolarHBondContact O-CB 3.27Å; D63-E66 PolarHBondContact O-N 3.42Å; D63-I67 PolarHBondContact O-N 3.45Å; D63-K177 VanDerWaalsContact OD2-CE 3.3Å; D63-K177 WeakPolarHBondContact OD2-CE 3.45Å; D63-K177 IonicContact OD2-NZ 3.45Å; D63-K177 PolarHBondContact OD2-NZ 3.4Å
64L74.9Confident81.5Confident54 Ų5450 Ų5028%0.28326%0.259SS..Hα-helixtrans-56.3-34.5-173.2-178.966.8000112.4V60 S62 E66 I67 I68 F90 L95V60-L64 HydrophobicContact CG1-CD1 4.09Å; V60-L64 HydrophobicContact CG1-CD2 4.04Å; V60-L64 HydrophobicContact CG1-CG 4.47Å; S62-L64 VanDerWaalsContact C-N 3.26Å; S62-L64 PolarHBondContact O-N 2.87Å; L64-E66 VanDerWaalsContact C-N 3.32Å; L64-E66 PolarHBondContact O-N 3.27Å; L64-I67 PolarHBondContact O-N 3.03Å; L64-I68 HydrophobicContact CD1-CD1 4.24Å; L64-I68 HydrophobicContact CD1-CG1 4.3Å; L64-I68 HydrophobicContact CD2-CD1 4.24Å; L64-I68 HydrophobicContact CG-CD1 3.8Å; L64-I68 HydrophobicContact CG-CG1 4.3Å; L64-I68 WeakPolarHBondContact O-CB 3.44Å; L64-I68 VanDerWaalsContact O-CG1 3.27Å; L64-I68 WeakPolarHBondContact O-CG1 3.49Å; L64-I68 PolarHBondContact O-N 3.15Å; L64-F90 HydrophobicContact CD1-CE1 4.29Å; L64-F90 HydrophobicContact CD1-CZ 4.15Å; L64-L95 HydrophobicContact CD1-CD2 4.45Å
65Q77.4Confident81.1Confident173 Ų17354.2 Ų54.281%0.80828%0.278SS*.Hα-helixtrans-62.2-38.2175.9-69.5-171.6-22.600112.5D63 K69D63-Q65 PolarHBondContact O-N 3.27Å; D63-Q65 VanDerWaalsContact O-N 3.11Å; Q65-K69 WeakPolarHBondContact O-CB 3.44Å; Q65-K69 PolarHBondContact O-N 3.08Å; Q65-K69 VanDerWaalsContact O-N 3.11Å
66E74.5Confident80.7Confident33 Ų3359.9 Ų59.915%0.15430%0.304CS..Hα-helixtrans-67.9-42.7176.3-65.3-167.3159.900110.4D63 L64 K69 E70 V167 K177D63-E66 HydrophobicContact CB-CB 4.14Å; D63-E66 HydrophobicContact CB-CG 3.96Å; D63-E66 WeakPolarHBondContact O-CB 3.27Å; D63-E66 PolarHBondContact O-N 3.42Å; L64-E66 VanDerWaalsContact C-N 3.32Å; L64-E66 PolarHBondContact O-N 3.27Å; E66-K69 WeakPolarHBondContact O-CB 3.33Å; E66-K69 PolarHBondContact O-N 2.8Å; E66-K69 VanDerWaalsContact O-N 3.17Å; E66-E70 PolarHBondContact O-N 3.4Å; E66-V167 WeakPolarHBondContact O-CG2 3.39Å; E66-K177 IonicContact OE1-NZ 3.69Å; E66-K177 PolarHBondContact OE1-NZ 3.17Å; E66-K177 IonicContact OE2-NZ 3.57Å; E66-K177 PolarHBondContact OE2-NZ 2.88Å; E66-K177 VanDerWaalsContact OE2-NZ 3.08Å
67I78.4Confident80.6Confident12 Ų1259.7 Ų59.76%0.06230%0.304CS..Hα-helixtrans-65.2-44.4179.9-60.6158.9000111.5V58 S62 D63 L64 K69 E70 I71 L95 I97V58-I67 HydrophobicContact CB-CD1 4.43Å; V58-I67 HydrophobicContact CG1-CD1 3.33Å; V58-I67 HydrophobicContact CG1-CG1 4.18Å; S62-I67 WeakPolarHBondContact OG-CD1 3.45Å; D63-I67 PolarHBondContact O-N 3.45Å; L64-I67 PolarHBondContact O-N 3.03Å; I67-K69 PolarHBondContact O-N 3.34Å; I67-E70 VanDerWaalsContact O-CB 3.31Å; I67-E70 WeakPolarHBondContact O-CB 3.43Å; I67-E70 PolarHBondContact O-N 3.19Å; I67-E70 VanDerWaalsContact O-N 3.11Å; I67-I71 HydrophobicContact CG2-CD1 4.05Å; I67-I71 WeakPolarHBondContact O-CG1 3.47Å; I67-I71 PolarHBondContact O-N 3.35Å; I67-L95 HydrophobicContact CG2-CD2 3.53Å; I67-I97 HydrophobicContact CG2-CD1 4.01Å
68I80.6Confident80.7Confident90 Ų9064 Ų6446%0.46233%0.329SS..Hα-helixtrans-59.7-39.3175-70168.7000110.4L64 I71 S72L64-I68 HydrophobicContact CD1-CD1 4.24Å; L64-I68 HydrophobicContact CD1-CG1 4.3Å; L64-I68 HydrophobicContact CD2-CD1 4.24Å; L64-I68 HydrophobicContact CG-CD1 3.8Å; L64-I68 HydrophobicContact CG-CG1 4.3Å; L64-I68 WeakPolarHBondContact O-CB 3.44Å; L64-I68 VanDerWaalsContact O-CG1 3.27Å; L64-I68 WeakPolarHBondContact O-CG1 3.49Å; L64-I68 PolarHBondContact O-N 3.15Å; I68-I71 PolarHBondContact O-N 3.25Å; I68-S72 WeakPolarHBondContact O-CB 3.37Å; I68-S72 PolarHBondContact O-N 3.4Å
69K77.8Confident81.1Confident78 Ų7864.2 Ų64.234%0.33933%0.33SS..Hα-helixtrans-64.4-41.7175.9-166.7174.6-178163.80111.3Q65 E66 I67 S72 I73 V167 Q170Q65-K69 WeakPolarHBondContact O-CB 3.44Å; Q65-K69 PolarHBondContact O-N 3.08Å; Q65-K69 VanDerWaalsContact O-N 3.11Å; E66-K69 WeakPolarHBondContact O-CB 3.33Å; E66-K69 PolarHBondContact O-N 2.8Å; E66-K69 VanDerWaalsContact O-N 3.17Å; I67-K69 PolarHBondContact O-N 3.34Å; K69-S72 PolarHBondContact O-N 2.66Å; K69-S72 PolarHBondContact O-OG 3.32Å; K69-I73 WeakPolarHBondContact O-CG1 3.34Å; K69-I73 PolarHBondContact O-N 2.87Å; K69-I73 VanDerWaalsContact O-N 3.14Å; K69-V167 HydrophobicContact CB-CG1 4.01Å; K69-V167 HydrophobicContact CD-CG1 3.93Å; K69-V167 HydrophobicContact CG-CG1 3.76Å; K69-Q170 VanDerWaalsContact NZ-NE2 3.15Å
70E79.3Confident81.6Confident24 Ų2465.2 Ų65.211%0.11234%0.337CS..Hα-helixtrans-56.2-52.8173.3-155.3174.9163.200111.4E66 I67 S72 I73 M74 D164 F165 V167E66-E70 PolarHBondContact O-N 3.4Å; I67-E70 VanDerWaalsContact O-CB 3.31Å; I67-E70 WeakPolarHBondContact O-CB 3.43Å; I67-E70 PolarHBondContact O-N 3.19Å; I67-E70 VanDerWaalsContact O-N 3.11Å; E70-S72 VanDerWaalsContact C-N 3.28Å; E70-S72 PolarHBondContact O-N 3.11Å; E70-I73 WeakPolarHBondContact O-CB 3.44Å; E70-I73 PolarHBondContact O-N 3.45Å; E70-I73 VanDerWaalsContact O-N 3.09Å; E70-M74 HydrophobicContact CG-SD 4.45Å; E70-M74 WeakPolarHBondContact O-CG 3.41Å; E70-M74 PolarHBondContact O-N 3.11Å; E70-D164 WeakPolarHBondContact OE1-CA 3.42Å; E70-F165 HydrophobicContact CG-CB 4.13Å; E70-F165 PolarHBondContact OE1-N 2.89Å; E70-V167 HydrophobicContact CB-CG2 3.43Å; E70-V167 VanDerWaalsContact CB-CG2 3.43Å; E70-V167 HydrophobicContact CG-CG2 3.69Å
71I83.6Confident82.5Confident15 Ų1566.3 Ų66.38%0.07734%0.337CS..Hα-helixtrans-58.7-42.9-179.2-69.2169.3000110.3I67 I68 I73 M74 Q75 Y85 L95 I97I67-I71 HydrophobicContact CG2-CD1 4.05Å; I67-I71 WeakPolarHBondContact O-CG1 3.47Å; I67-I71 PolarHBondContact O-N 3.35Å; I68-I71 PolarHBondContact O-N 3.25Å; I71-I73 VanDerWaalsContact C-N 3.3Å; I71-I73 PolarHBondContact O-N 2.92Å; I71-M74 PolarHBondContact O-N 3.39Å; I71-Q75 VanDerWaalsContact O-CB 3.25Å; I71-Q75 WeakPolarHBondContact O-CB 3.38Å; I71-Q75 PolarHBondContact O-N 3.38Å; I71-Y85 HydrophobicContact CG2-CE1 3.99Å; I71-Y85 HydrophobicContact CG2-CE2 3.87Å; I71-Y85 VanDerWaalsContact CG2-CZ 3.5Å; I71-Y85 WeakPolarHBondContact CG2-OH 3.08Å; I71-L95 HydrophobicContact CD1-CD2 3.58Å; I71-L95 HydrophobicContact CD1-CG 4.48Å; I71-I97 HydrophobicContact CD1-CD1 3.89Å; I71-I97 HydrophobicContact CD1-CG1 3.98Å; I71-I97 HydrophobicContact CG1-CD1 4.06Å; I71-I97 HydrophobicContact CG1-CG1 4.42Å
72S83.4Confident83.6Confident40 Ų4057.7 Ų57.728%0.2830%0.297SS..Hα-helixtrans-61.3-38.7178.680.20000112.4I68 K69 E70 Q76I68-S72 WeakPolarHBondContact O-CB 3.37Å; I68-S72 PolarHBondContact O-N 3.4Å; K69-S72 PolarHBondContact O-N 2.66Å; K69-S72 PolarHBondContact O-OG 3.32Å; E70-S72 VanDerWaalsContact C-N 3.28Å; E70-S72 PolarHBondContact O-N 3.11Å; S72-Q76 VanDerWaalsContact O-CG 3.23Å; S72-Q76 WeakPolarHBondContact O-CG 3.32Å; S72-Q76 PolarHBondContact O-N 3.3Å; S72-Q76 PolarHBondContact O-NE2 2.89Å
73I82Confident85.1Confident35 Ų3555.5 Ų55.518%0.17928%0.282CS..Hα-helixtrans-67.1-48.7177.8-68.5167.7000109.7K69 E70 I71 Q76 C77 K142 F165 V167K69-I73 WeakPolarHBondContact O-CG1 3.34Å; K69-I73 PolarHBondContact O-N 2.87Å; K69-I73 VanDerWaalsContact O-N 3.14Å; E70-I73 WeakPolarHBondContact O-CB 3.44Å; E70-I73 PolarHBondContact O-N 3.45Å; E70-I73 VanDerWaalsContact O-N 3.09Å; I71-I73 VanDerWaalsContact C-N 3.3Å; I71-I73 PolarHBondContact O-N 2.92Å; I73-Q76 PolarHBondContact O-N 3.26Å; I73-C77 PolarHBondContact O-N 2.91Å; I73-C77 PolarHBondContact O-SG 3.34Å; I73-K142 HydrophobicContact CG2-CD 4.07Å; I73-K142 PolarHBondContact O-NZ 3.48Å; I73-K142 VanDerWaalsContact O-NZ 3.07Å; I73-F165 HydrophobicContact CG2-CD1 3.77Å; I73-F165 HydrophobicContact CG2-CD2 4.43Å; I73-F165 HydrophobicContact CG2-CE1 4.04Å; I73-F165 HydrophobicContact CG2-CG 3.98Å; I73-F165 HydrophobicContact CG2-CZ 4.49Å; I73-V167 HydrophobicContact CD1-CG1 3.84Å
74M84.5Confident86.2Confident11 Ų1154.7 Ų54.75%0.05427%0.274CS..Hα-helixtrans-61.7-43.6179-69.4-179.469.100112E70 I71 Q76 C77 F165E70-M74 HydrophobicContact CG-SD 4.45Å; E70-M74 WeakPolarHBondContact O-CG 3.41Å; E70-M74 PolarHBondContact O-N 3.11Å; I71-M74 PolarHBondContact O-N 3.39Å; M74-Q76 PolarHBondContact O-N 2.92Å; M74-C77 WeakPolarHBondContact O-CB 3.49Å; M74-C77 PolarHBondContact O-N 2.97Å; M74-F165 HydrophobicContact CG-CD2 3.54Å; M74-F165 HydrophobicContact CG-CE2 3.76Å; M74-F165 HydrophobicContact SD-CD2 4.46Å
75Q87.4Confident87.1Confident96 Ų9653 Ų5345%0.44926%0.263SS..Hα-helixtrans-62-31.7-179.3-171.3-175.326.500112.5K13 I71 C77 Y85K13-Q75 PolarHBondContact NZ-O 2.86Å; I71-Q75 VanDerWaalsContact O-CB 3.25Å; I71-Q75 WeakPolarHBondContact O-CB 3.38Å; I71-Q75 PolarHBondContact O-N 3.38Å; Q75-C77 VanDerWaalsContact C-N 3.32Å; Q75-Y85 HydrophobicContact CB-CD1 3.8Å; Q75-Y85 HydrophobicContact CB-CE1 4.06Å; Q75-Y85 HydrophobicContact CG-CD1 4Å; Q75-Y85 HydrophobicContact CG-CE1 4.06Å
76Q87.8Confident87.9Confident119 Ų11945.6 Ų45.656%0.55623%0.229SC*.THydrogen-bonded Turntrans-85.6-1.1177.4-68.3169.822.400113.2S72 I73 M74 K142S72-Q76 VanDerWaalsContact O-CG 3.23Å; S72-Q76 WeakPolarHBondContact O-CG 3.32Å; S72-Q76 PolarHBondContact O-N 3.3Å; S72-Q76 PolarHBondContact O-NE2 2.89Å; I73-Q76 PolarHBondContact O-N 3.26Å; M74-Q76 PolarHBondContact O-N 2.92Å; Q76-K142 PolarHBondContact O-NZ 3.44Å
77C89.6Confident88.8Confident12 Ų1244.2 Ų44.28%0.08122%0.223CC..  trans-97.6127.1176.2-710000110I73 M74 Q75 V82 Y136 K142I73-C77 PolarHBondContact O-N 2.91Å; I73-C77 PolarHBondContact O-SG 3.34Å; M74-C77 WeakPolarHBondContact O-CB 3.49Å; M74-C77 PolarHBondContact O-N 2.97Å; Q75-C77 VanDerWaalsContact C-N 3.32Å; C77-V82 HydrophobicContact CB-CG1 4.03Å; C77-Y136 HydrophobicContact CB-CE1 4.17Å; C77-K142 PolarHBondContact SG-NZ 3.37Å
78D92.9Very high89.6Confident126 Ų12645.4 Ų45.467%0.67423%0.232SC*.  trans-13488.2170.4-173.224.5000108.5Y136D78-Y136 PolarHBondContact N-OH 2.84Å
79S95.5Very high90.2Very high7 Ų741.5 Ų41.55%0.04921%0.212CC..  trans-144.6141-179173.80000109.1Y81 V82S79-Y81 PolarHBondContact O-N 3.24Å; S79-Y81 VanDerWaalsContact O-N 3.16Å; S79-Y81 PolarHBondContact OG-N 2.92Å; S79-V82 PolarHBondContact O-N 3.13Å; S79-V82 VanDerWaalsContact O-O 3.1Å
80P96.8Very high90.8Very high82 Ų8243.8 Ų43.853%0.53222%0.222SC..THydrogen-bonded Turntrans-64.9-16.2175.227.6-34.3000113K161P80-K161 WeakPolarHBondContact O-CE 3.49Å; P80-K161 WeakPolarHBondContact O-CG 3.38Å; P80-K161 PolarHBondContact O-NZ 2.96Å
81Y97.8Very high91.2Very high64 Ų6444.4 Ų44.425%0.25122%0.224SC..THydrogen-bonded Turntrans-97.96.6-178.8-50.5-72.3000113.6S79 K132 K161 L162S79-Y81 PolarHBondContact O-N 3.24Å; S79-Y81 VanDerWaalsContact O-N 3.16Å; S79-Y81 PolarHBondContact OG-N 2.92Å; Y81-K132 HydrophobicContact CD1-CB 4.09Å; Y81-K132 HydrophobicContact CD1-CD 4.46Å; Y81-K132 HydrophobicContact CD2-CB 3.6Å; Y81-K132 HydrophobicContact CD2-CD 4.46Å; Y81-K132 HydrophobicContact CE1-CB 4.1Å; Y81-K132 HydrophobicContact CE1-CD 3.67Å; Y81-K132 HydrophobicContact CE2-CB 3.61Å; Y81-K132 HydrophobicContact CE2-CD 3.69Å; Y81-K132 HydrophobicContact CE2-CG 4.29Å; Y81-K132 HydrophobicContact CG-CB 3.86Å; Y81-K132 WeakPolarHBondContact OH-CD 3.27Å; Y81-K132 PolarHBondContact OH-NZ 2.82Å; Y81-K132 VanDerWaalsContact OH-NZ 3.14Å; Y81-K161 WeakPolarHBondContact O-CA 3.22Å; Y81-L162 PolarHBondContact O-N 3.15Å
82V96.3Very high91.4Very high2 Ų250.5 Ų50.51%0.01226%0.257CS..BIsolated β-bridgetrans-124.4138.8174.31790000107.6C77 S79 K84 Y136 L137 F165C77-V82 HydrophobicContact CB-CG1 4.03Å; S79-V82 PolarHBondContact O-N 3.13Å; S79-V82 VanDerWaalsContact O-O 3.1Å; V82-K84 PolarHBondContact O-N 3.17Å; V82-Y136 HydrophobicContact CG2-CD1 4.2Å; V82-L137 HydrophobicContact CG2-CD2 4.29Å; V82-L137 HydrophobicContact CG2-CG 4.42Å; V82-F165 HydrophobicContact CG1-CE2 3.81Å; V82-F165 HydrophobicContact CG1-CZ 3.64Å
83V95.1Very high91.6Very high3 Ų352.8 Ų52.82%0.01827%0.269CS..PPolyproline II helixtrans-60.2127.4175.7171.30000109.5M99 E100 L153 K161 L162 A163V83-M99 HydrophobicContact CG1-CB 4.05Å; V83-M99 HydrophobicContact CG1-CG 4.47Å; V83-M99 HydrophobicContact CG1-SD 4.48Å; V83-E100 HydrophobicContact CG1-CB 4.1Å; V83-L153 HydrophobicContact CG2-CD1 4.05Å; V83-K161 HydrophobicContact CG2-CB 3.84Å; V83-L162 WeakPolarHBondContact CG2-O 3.45Å; V83-L162 PolarHBondContact N-O 3.23Å; V83-A163 HydrophobicContact CB-CB 4.43Å; V83-A163 HydrophobicContact CG2-CB 3.76Å
84K94.1Very high91.9Very high72 Ų7253 Ų5331%0.31327%0.271SS..PPolyproline II helixtrans-73.7136.7-179.7-62.8-177.9173.8-169.70111.5V82 Y86 M99 E100V82-K84 PolarHBondContact O-N 3.17Å; K84-Y86 HydrophobicContact CB-CE1 4.16Å; K84-Y86 HydrophobicContact CD-CE1 4.47Å; K84-M99 CarbonylContact O-C 3.57Å; K84-M99 VanDerWaalsContact O-CA 3.23Å; K84-M99 WeakPolarHBondContact O-CA 3.46Å; K84-M99 WeakPolarHBondContact O-CB 3.48Å; K84-E100 HydrophobicContact CB-CB 4.05Å; K84-E100 PolarHBondContact N-OE2 3.1Å; K84-E100 PolarHBondContact O-N 3.48Å
85Y93.8Very high92.2Very high18 Ų1852.6 Ų52.67%0.07127%0.269CS..EExtended strand (participates in β ladder)trans-92.8131.1166.3172.2-105.4000110.3I71 Q75 G87 S88 I97I71-Y85 HydrophobicContact CG2-CE1 3.99Å; I71-Y85 HydrophobicContact CG2-CE2 3.87Å; I71-Y85 VanDerWaalsContact CG2-CZ 3.5Å; I71-Y85 WeakPolarHBondContact CG2-OH 3.08Å; Q75-Y85 HydrophobicContact CB-CD1 3.8Å; Q75-Y85 HydrophobicContact CB-CE1 4.06Å; Q75-Y85 HydrophobicContact CG-CD1 4Å; Q75-Y85 HydrophobicContact CG-CE1 4.06Å; Y85-G87 VanDerWaalsContact CE2-C 3.43Å; Y85-G87 WeakPolarHBondContact CE2-O 3.24Å; Y85-G87 WeakPolarHBondContact OH-CA 3.28Å; Y85-S88 VanDerWaalsContact OH-CB 3.29Å; Y85-S88 WeakPolarHBondContact OH-CB 3.45Å; Y85-S88 PolarHBondContact OH-N 3.3Å; Y85-S88 VanDerWaalsContact OH-N 3.1Å; Y85-S88 PolarHBondContact OH-OG 3.44Å; Y85-S88 VanDerWaalsContact OH-OG 3.07Å; Y85-I97 HydrophobicContact CD2-CG2 3.98Å; Y85-I97 HydrophobicContact CE2-CG2 3.9Å
86Y94.8Very high92.5Very high19 Ų1948.9 Ų48.98%0.07525%0.251CS..EExtended strand (participates in β ladder)trans-103.9-33.6179.9-63.2-53.9000113.3L11 K12 L14 V53 K84 V98 E100L11-Y86 HydrophobicContact CB-CE1 4.39Å; L11-Y86 HydrophobicContact CD2-CD1 4.46Å; L11-Y86 HydrophobicContact CD2-CD2 4.02Å; L11-Y86 HydrophobicContact CD2-CE2 4.1Å; L11-Y86 HydrophobicContact CD2-CG 4.21Å; L11-Y86 HydrophobicContact CG-CD1 4.33Å; L11-Y86 HydrophobicContact CG-CE1 4.31Å; L11-Y86 WeakPolarHBondContact O-CE1 3.31Å; K12-Y86 WeakPolarHBondContact O-CD1 3.45Å; L14-Y86 PolarHBondContact N-O 3.31Å; V53-Y86 HydrophobicContact CG1-CD2 4.17Å; V53-Y86 HydrophobicContact CG1-CE2 4.07Å; K84-Y86 HydrophobicContact CB-CE1 4.16Å; K84-Y86 HydrophobicContact CD-CE1 4.47Å; Y86-V98 HydrophobicContact CD2-CG1 4.23Å; Y86-V98 PolarHBondContact N-O 3.11Å; Y86-E100 HydrophobicContact CE2-CB 4.28Å
87G93.9Very high92.7Very high3 Ų343.6 Ų43.63%0.03123%0.226CC..EExtended strand (participates in β ladder)trans161.5178.9-179.600000111.7Y85 V98Y85-G87 VanDerWaalsContact CE2-C 3.43Å; Y85-G87 WeakPolarHBondContact CE2-O 3.24Å; Y85-G87 WeakPolarHBondContact OH-CA 3.28Å; G87-V98 WeakPolarHBondContact O-CB 3.42Å; G87-V98 PolarHBondContact O-N 3.11Å
88S93.8Very high93Very high37 Ų3743 Ų4326%0.25922%0.222SC..EExtended strand (participates in β ladder)trans-141.2149.6179.960.90000111.5Y85 W96Y85-S88 VanDerWaalsContact OH-CB 3.29Å; Y85-S88 WeakPolarHBondContact OH-CB 3.45Å; Y85-S88 PolarHBondContact OH-N 3.3Å; Y85-S88 VanDerWaalsContact OH-N 3.1Å; Y85-S88 PolarHBondContact OH-OG 3.44Å; Y85-S88 VanDerWaalsContact OH-OG 3.07Å; S88-W96 CarbonylContact C-O 3.5Å; S88-W96 WeakPolarHBondContact CA-O 3.44Å; S88-W96 VanDerWaalsContact CB-O 3.31Å; S88-W96 WeakPolarHBondContact CB-O 3.23Å
89Y93.9Very high93.1Very high9 Ų938 Ų384%0.03520%0.195CC..EExtended strand (participates in β ladder)trans-124.3141.9176.6-62.4-97.2000109.5L14 S18 L19 K21 P23 F27 W96 V98L14-Y89 HydrophobicContact CD1-CE2 3.77Å; S18-Y89 WeakPolarHBondContact O-CE1 3.25Å; S18-Y89 PolarHBondContact O-OH 2.85Å; L19-Y89 HydrophobicContact CD2-CE2 4.25Å; K21-Y89 WeakPolarHBondContact O-CD1 3.36Å; K21-Y89 VanDerWaalsContact O-CE1 3.28Å; K21-Y89 WeakPolarHBondContact O-CE1 3.34Å; P23-Y89 HydrophobicContact CB-CD1 4.2Å; P23-Y89 HydrophobicContact CB-CD2 4.2Å; P23-Y89 HydrophobicContact CB-CG 3.91Å; P23-Y89 HydrophobicContact CG-CG 4.4Å; F27-Y89 AromaticContact CE2-CE2 3.69Å; F27-Y89 HydrophobicContact CE2-CE2 3.69Å; Y89-W96 PolarHBondContact N-O 2.9Å; Y89-W96 PolarHBondContact O-N 3.43Å; Y89-V98 HydrophobicContact CD2-CG2 4.05Å; Y89-V98 HydrophobicContact CE2-CG2 3.96Å
90F91.3Very high93.1Very high126 Ų12639.2 Ų39.255%0.55320%0.2SC*.EExtended strand (participates in β ladder)trans-91.3125.3162.6-82.6-83.6000108.2V60 L64 L95V60-F90 HydrophobicContact CG1-CE1 4.28Å; V60-F90 HydrophobicContact CG2-CD1 3.93Å; V60-F90 HydrophobicContact CG2-CE1 3.65Å; L64-F90 HydrophobicContact CD1-CE1 4.29Å; L64-F90 HydrophobicContact CD1-CZ 4.15Å; F90-L95 HydrophobicContact CD1-CD1 4.14Å; F90-L95 HydrophobicContact CD2-CD1 3.95Å; F90-L95 HydrophobicContact CE1-CB 4.42Å; F90-L95 HydrophobicContact CE1-CD1 3.94Å; F90-L95 HydrophobicContact CE2-CD1 3.74Å; F90-L95 HydrophobicContact CG-CD1 4.16Å; F90-L95 HydrophobicContact CZ-CD1 3.74Å
91K87.5Confident93.1Very high37 Ų3737.9 Ų37.916%0.16119%0.185CC..EExtended strand (participates in β ladder)trans-138.5125.2176.7-178.167.7-179-141.10109.3P23 E24 T93 D94 W96P23-K91 HydrophobicContact CG-CB 4.11Å; P23-K91 HydrophobicContact CG-CD 4.27Å; P23-K91 HydrophobicContact CG-CG 4.26Å; E24-K91 WeakPolarHBondContact OE1-CD 3.05Å; E24-K91 WeakPolarHBondContact OE1-CE 3.48Å; E24-K91 IonicContact OE1-NZ 3.9Å; E24-K91 PolarHBondContact OE1-NZ 3.44Å; E24-K91 IonicContact OE2-NZ 3.9Å; E24-K91 PolarHBondContact OE2-NZ 3.01Å; K91-T93 PolarHBondContact O-N 3.22Å; K91-T93 VanDerWaalsContact O-N 3.16Å; K91-D94 PolarHBondContact N-O 3.48Å; K91-D94 PolarHBondContact O-N 3.26Å; K91-D94 VanDerWaalsContact O-O 3.09Å; K91-W96 HydrophobicContact CG-CZ2 4.43Å
92N86.9Confident93Very high142 Ų14235.4 Ų35.476%0.75918%0.176SC*.THydrogen-bonded Turntrans52.8-119.5-175.2-53.3-25.5000110.1
93T87Confident92.9Very high88 Ų8835.7 Ų35.754%0.5418%0.18SC..THydrogen-bonded Turntrans-100.39.2176.451.50000113.3V60 K91V60-T93 VanDerWaalsContact CB-O 3.24Å; V60-T93 WeakPolarHBondContact CB-O 3.48Å; V60-T93 WeakPolarHBondContact CG2-O 3.4Å; V60-T93 PolarHBondContact N-O 2.97Å; K91-T93 PolarHBondContact O-N 3.22Å; K91-T93 VanDerWaalsContact O-N 3.16Å
94D89.4Confident92.9Very high39 Ų3935.9 Ų35.921%0.20918%0.182CC..EExtended strand (participates in β ladder)trans-116.8145-172.9-61.9-31.3000112.7V58 P59 K91V58-D94 WeakPolarHBondContact O-CA 3.35Å; P59-D94 VanDerWaalsContact CA-OD1 3.31Å; P59-D94 WeakPolarHBondContact CA-OD1 3.18Å; K91-D94 PolarHBondContact N-O 3.48Å; K91-D94 PolarHBondContact O-N 3.26Å; K91-D94 VanDerWaalsContact O-O 3.09Å
95L90.9Very high93Very high3 Ų333.1 Ų33.12%0.01617%0.174CC..EExtended strand (participates in β ladder)trans-95.6118.3166.2-175.566.1000109.3V58 V60 L64 I67 I71 F90 I97V58-L95 PolarHBondContact N-O 3.03Å; V58-L95 PolarHBondContact O-N 3.38Å; V60-L95 HydrophobicContact CG2-CB 4.17Å; L64-L95 HydrophobicContact CD1-CD2 4.45Å; I67-L95 HydrophobicContact CG2-CD2 3.53Å; I71-L95 HydrophobicContact CD1-CD2 3.58Å; I71-L95 HydrophobicContact CD1-CG 4.48Å; F90-L95 HydrophobicContact CD1-CD1 4.14Å; F90-L95 HydrophobicContact CD2-CD1 3.95Å; F90-L95 HydrophobicContact CE1-CB 4.42Å; F90-L95 HydrophobicContact CE1-CD1 3.94Å; F90-L95 HydrophobicContact CE2-CD1 3.74Å; F90-L95 HydrophobicContact CG-CD1 4.16Å; F90-L95 HydrophobicContact CZ-CD1 3.74Å; L95-I97 HydrophobicContact CD2-CD1 4.49Å; L95-I97 HydrophobicContact CD2-CG1 4.37Å; L95-I97 HydrophobicContact CG-CG1 4.23Å
96W93.5Very high93.2Very high19 Ų1932.5 Ų32.57%0.07217%0.172CC..EExtended strand (participates in β ladder)trans-95.2118.3177.3-70.937.1000109.1P23 V29 I55 K56 Q57 S88 Y89 K91P23-W96 HydrophobicContact CB-CD2 4.37Å; P23-W96 HydrophobicContact CB-CE3 3.67Å; P23-W96 HydrophobicContact CB-CZ3 3.86Å; P23-W96 HydrophobicContact CG-CD2 4.28Å; P23-W96 HydrophobicContact CG-CE3 3.99Å; P23-W96 HydrophobicContact CG-CZ3 4.13Å; V29-W96 HydrophobicContact CG2-CH2 4.13Å; V29-W96 HydrophobicContact CG2-CZ3 3.85Å; I55-W96 HydrophobicContact CD1-CE3 4.25Å; I55-W96 HydrophobicContact CD1-CZ3 4.37Å; I55-W96 HydrophobicContact CG2-CB 4.02Å; I55-W96 HydrophobicContact CG2-CD2 4.04Å; I55-W96 HydrophobicContact CG2-CE3 3.63Å; I55-W96 HydrophobicContact CG2-CG 4.24Å; I55-W96 HydrophobicContact CG2-CZ3 4.4Å; K56-W96 CarbonylContact O-C 3.39Å; K56-W96 WeakPolarHBondContact O-CA 3.34Å; Q57-W96 HydrophobicContact CG-CD2 4.06Å; Q57-W96 HydrophobicContact CG-CG 4.09Å; Q57-W96 HydrophobicContact CG-CZ2 4.46Å; Q57-W96 VanDerWaalsContact NE2-CE2 3.3Å; S88-W96 CarbonylContact C-O 3.5Å; S88-W96 WeakPolarHBondContact CA-O 3.44Å; S88-W96 VanDerWaalsContact CB-O 3.31Å; S88-W96 WeakPolarHBondContact CB-O 3.23Å; Y89-W96 PolarHBondContact N-O 2.9Å; Y89-W96 PolarHBondContact O-N 3.43Å; K91-W96 HydrophobicContact CG-CZ2 4.43Å
97I92.8Very high93.3Very high7 Ų731.6 Ų31.64%0.03617%0.169CC..EExtended strand (participates in β ladder)trans-107.4112.8-178.6-54.6175.4000108.3I55 K56 V58 I67 I71 Y85 L95I55-I97 WeakPolarHBondContact CA-O 3.4Å; K56-I97 HydrophobicContact CB-CB 4.35Å; K56-I97 PolarHBondContact N-O 2.71Å; K56-I97 PolarHBondContact O-N 3.07Å; V58-I97 HydrophobicContact CG2-CD1 4.15Å; I67-I97 HydrophobicContact CG2-CD1 4.01Å; I71-I97 HydrophobicContact CD1-CD1 3.89Å; I71-I97 HydrophobicContact CD1-CG1 3.98Å; I71-I97 HydrophobicContact CG1-CD1 4.06Å; I71-I97 HydrophobicContact CG1-CG1 4.42Å; Y85-I97 HydrophobicContact CD2-CG2 3.98Å; Y85-I97 HydrophobicContact CE2-CG2 3.9Å; L95-I97 HydrophobicContact CD2-CD1 4.49Å; L95-I97 HydrophobicContact CD2-CG1 4.37Å; L95-I97 HydrophobicContact CG-CG1 4.23Å
98V95.7Very high93.5Very high0 Ų033.3 Ų33.30%018%0.18CC..EExtended strand (participates in β ladder)trans-91.7122.8-178.5-1690000110L14 F27 V53 I55 Y86 G87 Y89L14-V98 HydrophobicContact CD1-CB 4.43Å; L14-V98 HydrophobicContact CD1-CG2 4.36Å; F27-V98 HydrophobicContact CE1-CG1 3.92Å; F27-V98 HydrophobicContact CE2-CG2 4.04Å; F27-V98 HydrophobicContact CZ-CB 4.49Å; F27-V98 HydrophobicContact CZ-CG1 3.73Å; F27-V98 HydrophobicContact CZ-CG2 4.06Å; V53-V98 HydrophobicContact CB-CG1 4.17Å; V53-V98 HydrophobicContact CG1-CG1 4.46Å; V53-V98 HydrophobicContact CG2-CG1 4.06Å; I55-V98 HydrophobicContact CG1-CG2 4.37Å; Y86-V98 HydrophobicContact CD2-CG1 4.23Å; Y86-V98 PolarHBondContact N-O 3.11Å; G87-V98 WeakPolarHBondContact O-CB 3.42Å; G87-V98 PolarHBondContact O-N 3.11Å; Y89-V98 HydrophobicContact CD2-CG2 4.05Å; Y89-V98 HydrophobicContact CE2-CG2 3.96Å
99M94.8Very high93.6Very high20 Ų2033.8 Ų33.810%0.09918%0.18CC..EExtended strand (participates in β ladder)trans-140.8167.9-173.661.3-174.8161.100113.5V41 A54 K56 V83 K84 Y101V41-M99 HydrophobicContact CG1-CE 3.95Å; A54-M99 HydrophobicContact CB-CE 4.05Å; A54-M99 HydrophobicContact CB-CG 3.92Å; A54-M99 PolarHBondContact N-O 3.05Å; A54-M99 WeakPolarHBondContact O-CG 3.43Å; A54-M99 PolarHBondContact O-N 2.92Å; K56-M99 HydrophobicContact CB-CE 3.58Å; K56-M99 HydrophobicContact CD-CE 4.32Å; V83-M99 HydrophobicContact CG1-CB 4.05Å; V83-M99 HydrophobicContact CG1-CG 4.47Å; V83-M99 HydrophobicContact CG1-SD 4.48Å; K84-M99 CarbonylContact O-C 3.57Å; K84-M99 VanDerWaalsContact O-CA 3.23Å; K84-M99 WeakPolarHBondContact O-CA 3.46Å; K84-M99 WeakPolarHBondContact O-CB 3.48Å; M99-Y101 PolarHBondContact O-N 2.86Å
100E95.4Very high93.7Very high34 Ų3433.4 Ų33.416%0.15918%0.178CC..EExtended strand (participates in β ladder)trans-60128.4176.2178.4177.7-158.700111.9V83 K84 Y86 C102 K161V83-E100 HydrophobicContact CG1-CB 4.1Å; K84-E100 HydrophobicContact CB-CB 4.05Å; K84-E100 PolarHBondContact N-OE2 3.1Å; K84-E100 PolarHBondContact O-N 3.48Å; Y86-E100 HydrophobicContact CE2-CB 4.28Å; E100-C102 PolarHBondContact O-N 3.49Å; E100-K161 VanDerWaalsContact CD-CE 3.43Å; E100-K161 WeakPolarHBondContact OE1-CE 3.23Å; E100-K161 IonicContact OE1-NZ 2.87Å; E100-K161 PolarHBondContact OE1-NZ 3.27Å; E100-K161 WeakPolarHBondContact OE2-CE 3.39Å; E100-K161 IonicContact OE2-NZ 2.68Å; E100-K161 PolarHBondContact OE2-NZ 3.44Å
101Y96.4Very high94.1Very high54 Ų5428.3 Ų28.321%0.21216%0.157CC..  trans-78121.3176.1179.8-112.3000111.6L33 K43 V52 A54 M99L33-Y101 HydrophobicContact CD1-CD2 4.07Å; L33-Y101 HydrophobicContact CD1-CE2 3.67Å; L33-Y101 HydrophobicContact CD2-CE2 4.1Å; K43-Y101 HydrophobicContact CD-CE2 4.27Å; K43-Y101 HydrophobicContact CG-CD2 4.48Å; K43-Y101 HydrophobicContact CG-CE2 4.07Å; V52-Y101 HydrophobicContact CB-CD1 4.21Å; V52-Y101 HydrophobicContact CG1-CD1 3.53Å; V52-Y101 HydrophobicContact CG1-CD2 4.33Å; V52-Y101 HydrophobicContact CG1-CE1 3.95Å; V52-Y101 HydrophobicContact CG1-CG 3.73Å; A54-Y101 HydrophobicContact CB-CD2 4.35Å; M99-Y101 PolarHBondContact O-N 2.86Å
102C96.6Very high94.5Very high11 Ų1133.4 Ų33.47%0.07418%0.175CC..  trans-106.790.7173.9-65.60000109.5E100 A104 G105 L153 L154E100-C102 PolarHBondContact O-N 3.49Å; C102-A104 VanDerWaalsContact C-N 3.27Å; C102-A104 PolarHBondContact O-N 2.81Å; C102-A104 VanDerWaalsContact O-N 3.15Å; C102-G105 PolarHBondContact O-N 2.94Å; C102-L153 HydrophobicContact CB-CB 3.57Å; C102-L153 HydrophobicContact CB-CD1 4.05Å; C102-L153 HydrophobicContact CB-CG 4.45Å; C102-L154 CarbonylContact C-O 3.54Å; C102-L154 VanDerWaalsContact C-O 3.27Å; C102-L154 WeakPolarHBondContact CB-O 3.45Å
103G93.8Very high94.9Very high8 Ų827.8 Ų27.88%0.08215%0.145CC..THydrogen-bonded Turntrans-62.5-22.8-165.900000116.8G105G103-G105 VanDerWaalsContact C-N 3.26Å; G103-G105 PolarHBondContact O-N 2.93Å
104A95.4Very high95.4Very high7 Ų725.2 Ų25.26%0.05813%0.125CC..THydrogen-bonded Turntrans-80.3-8.6176.200000112.9C102 I110 L154 I291C102-A104 VanDerWaalsContact C-N 3.27Å; C102-A104 PolarHBondContact O-N 2.81Å; C102-A104 VanDerWaalsContact O-N 3.15Å; A104-I110 HydrophobicContact CB-CD1 4.09Å; A104-I110 WeakPolarHBondContact O-CG1 3.31Å; A104-L154 HydrophobicContact CB-CB 3.8Å; A104-L154 VanDerWaalsContact CB-O 3.28Å; A104-L154 WeakPolarHBondContact CB-O 3.42Å; A104-L154 PolarHBondContact N-O 3.43Å; A104-I291 HydrophobicContact CB-CB 4.41Å; A104-I291 HydrophobicContact CB-CD1 4.42Å; A104-I291 HydrophobicContact CB-CG1 3.97Å; A104-I291 HydrophobicContact CB-CG2 3.76Å
105G95.4Very high95.8Very high15 Ų1530.5 Ų30.516%0.15515%0.153CC..EExtended strand (participates in β ladder)trans76.7-161.8-176.200000112.9C102 G103 L153 L154C102-G105 PolarHBondContact O-N 2.94Å; G103-G105 VanDerWaalsContact C-N 3.26Å; G103-G105 PolarHBondContact O-N 2.93Å; G105-L153 WeakPolarHBondContact O-CA 3Å; G105-L154 PolarHBondContact O-N 2.84Å
106S97Very high96.1Very high4 Ų435.4 Ų35.43%0.02817%0.174CC..EExtended strand (participates in β ladder)trans-78.6158.5176.572.80000112S108 D109 I110 G150 I152S106-S108 PolarHBondContact O-N 3.15Å; S106-D109 WeakPolarHBondContact CB-OD2 3.37Å; S106-D109 PolarHBondContact N-OD2 3.25Å; S106-D109 VanDerWaalsContact N-OD2 3.1Å; S106-D109 WeakPolarHBondContact O-CB 3.06Å; S106-D109 PolarHBondContact O-N 3.28Å; S106-D109 VanDerWaalsContact O-N 3.1Å; S106-D109 PolarHBondContact OG-N 3.41Å; S106-D109 PolarHBondContact OG-OD1 3.06Å; S106-D109 PolarHBondContact OG-OD2 2.75Å; S106-I110 WeakPolarHBondContact O-CG1 3.32Å; S106-I110 PolarHBondContact O-N 2.86Å; S106-G150 WeakPolarHBondContact CB-O 3.2Å; S106-I152 CarbonylContact C-O 3.39Å; S106-I152 WeakPolarHBondContact CA-O 3.49Å
107V98.4Very high96.4Very high1 Ų137.5 Ų37.51%0.00619%0.19CC..Hα-helixtrans-58.5-36.5172.3175.30000111.1I110 I111 L118 I126 A149 I152 L154 M214V107-I110 PolarHBondContact O-N 2.94Å; V107-I111 HydrophobicContact CG1-CD1 4.03Å; V107-I111 WeakPolarHBondContact O-CG1 3.41Å; V107-I111 PolarHBondContact O-N 3.1Å; V107-I111 VanDerWaalsContact O-N 3.09Å; V107-L118 HydrophobicContact CG1-CD1 3.81Å; V107-I126 HydrophobicContact CG2-CD1 4.17Å; V107-I126 HydrophobicContact CG2-CG2 4.11Å; V107-A149 HydrophobicContact CB-CB 4.15Å; V107-A149 HydrophobicContact CG1-CB 4.16Å; V107-A149 PolarHBondContact N-O 2.9Å; V107-I152 HydrophobicContact CG2-CB 4.12Å; V107-I152 HydrophobicContact CG2-CG2 3.9Å; V107-I152 WeakPolarHBondContact CG2-O 3.34Å; V107-I152 PolarHBondContact N-O 2.89Å; V107-L154 HydrophobicContact CG2-CD1 4.2Å; V107-L154 HydrophobicContact CG2-CG 4.49Å; V107-M214 HydrophobicContact CG1-CG 3.74Å; V107-M214 HydrophobicContact CG1-SD 3.82Å
108S96.9Very high96.6Very high38 Ų3837.4 Ų37.427%0.26619%0.189SC..Hα-helixtrans-62.5-42.7174.4-170.50000112.3S106 I110 I111 R112 A149S106-S108 PolarHBondContact O-N 3.15Å; S108-I110 VanDerWaalsContact C-N 3.35Å; S108-I110 PolarHBondContact O-N 2.87Å; S108-I111 PolarHBondContact O-N 2.76Å; S108-R112 WeakPolarHBondContact O-CB 3.37Å; S108-R112 PolarHBondContact O-N 2.79Å; S108-A149 PolarHBondContact N-O 3.32Å; S108-A149 VanDerWaalsContact N-O 3.16Å
109D95.5Very high96.8Very high48 Ų4841.1 Ų41.126%0.25721%0.212SC..Hα-helixtrans-63.1-41.9177-60-39.1000111.6S106 R112 L113S106-D109 WeakPolarHBondContact CB-OD2 3.37Å; S106-D109 PolarHBondContact N-OD2 3.25Å; S106-D109 VanDerWaalsContact N-OD2 3.1Å; S106-D109 WeakPolarHBondContact O-CB 3.06Å; S106-D109 PolarHBondContact O-N 3.28Å; S106-D109 VanDerWaalsContact O-N 3.1Å; S106-D109 PolarHBondContact OG-N 3.41Å; S106-D109 PolarHBondContact OG-OD1 3.06Å; S106-D109 PolarHBondContact OG-OD2 2.75Å; D109-R112 PolarHBondContact O-N 2.86Å; D109-R112 IonicContact OD1-CZ 2.92Å; D109-R112 IonicContact OD1-NH1 2.85Å; D109-R112 PolarHBondContact OD1-NH1 2.95Å; D109-R112 IonicContact OD1-NH2 2.9Å; D109-R112 PolarHBondContact OD1-NH2 2.77Å; D109-L113 WeakPolarHBondContact O-CB 3.43Å; D109-L113 VanDerWaalsContact O-CG 3.22Å; D109-L113 WeakPolarHBondContact O-CG 3.47Å; D109-L113 PolarHBondContact O-N 3.43Å
110I97.9Very high97Very high1 Ų142.2 Ų42.21%0.00522%0.217CC..Hα-helixtrans-61.9-46.9178.6-70.4165.9000111.1A104 S106 V107 S108 R112 L113 R114 L154 L290 A294A104-I110 HydrophobicContact CB-CD1 4.09Å; A104-I110 WeakPolarHBondContact O-CG1 3.31Å; S106-I110 WeakPolarHBondContact O-CG1 3.32Å; S106-I110 PolarHBondContact O-N 2.86Å; V107-I110 PolarHBondContact O-N 2.94Å; S108-I110 VanDerWaalsContact C-N 3.35Å; S108-I110 PolarHBondContact O-N 2.87Å; I110-R112 VanDerWaalsContact C-N 3.3Å; I110-R112 PolarHBondContact O-N 2.92Å; I110-L113 PolarHBondContact O-N 3.26Å; I110-R114 WeakPolarHBondContact O-CB 3.45Å; I110-R114 WeakPolarHBondContact O-CG 3.37Å; I110-R114 PolarHBondContact O-N 3.02Å; I110-L154 HydrophobicContact CD1-CB 4.31Å; I110-L154 HydrophobicContact CD1-CD1 3.58Å; I110-L154 HydrophobicContact CD1-CG 4.48Å; I110-L290 HydrophobicContact CD1-CD1 4.23Å; I110-L290 HydrophobicContact CG2-CD1 3.58Å; I110-A294 HydrophobicContact CB-CB 4.44Å; I110-A294 HydrophobicContact CG1-CB 4.07Å; I110-A294 HydrophobicContact CG2-CB 4.19Å
111I98.1Very high97.1Very high19 Ų1944.2 Ų44.210%0.09723%0.228CC..Hα-helixtrans-59.2-44.4176.6-69166.8000110.1V107 S108 N115 K116 L118 M214V107-I111 HydrophobicContact CG1-CD1 4.03Å; V107-I111 WeakPolarHBondContact O-CG1 3.41Å; V107-I111 PolarHBondContact O-N 3.1Å; V107-I111 VanDerWaalsContact O-N 3.09Å; S108-I111 PolarHBondContact O-N 2.76Å; I111-N115 WeakPolarHBondContact O-CA 3.27Å; I111-N115 PolarHBondContact O-N 3.45Å; I111-K116 PolarHBondContact O-N 2.76Å; I111-L118 HydrophobicContact CD1-CG 4.23Å; I111-L118 HydrophobicContact CG1-CD2 4.2Å; I111-L118 HydrophobicContact CG1-CG 4.08Å; I111-M214 HydrophobicContact CD1-CG 4.47Å
112R96.5Very high97.2Very high143 Ų14342.7 Ų42.754%0.5422%0.223SC..Hα-helixtrans-66.3-44.2179.7-174.1174.271.3-110.81.8112.8S108 D109 I110 N115S108-R112 WeakPolarHBondContact O-CB 3.37Å; S108-R112 PolarHBondContact O-N 2.79Å; D109-R112 PolarHBondContact O-N 2.86Å; D109-R112 IonicContact OD1-CZ 2.92Å; D109-R112 IonicContact OD1-NH1 2.85Å; D109-R112 PolarHBondContact OD1-NH1 2.95Å; D109-R112 IonicContact OD1-NH2 2.9Å; D109-R112 PolarHBondContact OD1-NH2 2.77Å; I110-R112 VanDerWaalsContact C-N 3.3Å; I110-R112 PolarHBondContact O-N 2.92Å; R112-N115 PolarHBondContact O-N 2.72Å
113L95.9Very high97.4Very high24 Ų2442.1 Ų42.113%0.12622%0.22CC..Hα-helixtrans-65.8-47.4-179-75.9167.7000111.2D109 I110 N115 I297 K298D109-L113 WeakPolarHBondContact O-CB 3.43Å; D109-L113 VanDerWaalsContact O-CG 3.22Å; D109-L113 WeakPolarHBondContact O-CG 3.47Å; D109-L113 PolarHBondContact O-N 3.43Å; I110-L113 PolarHBondContact O-N 3.26Å; L113-N115 VanDerWaalsContact C-N 3.26Å; L113-N115 PolarHBondContact O-N 2.9Å; L113-I297 HydrophobicContact CB-CG2 4.4Å; L113-I297 HydrophobicContact CD2-CG2 4.22Å; L113-K298 HydrophobicContact CD1-CB 4.24Å
114R97.4Very high97.6Very high35 Ų3541.9 Ų41.913%0.13222%0.217CC..Hα-helixtrans-75.4-16.8179.7-63.9175.669.1-151.910.2113.1I110 K116 E122 L290 E293 A294 I297I110-R114 WeakPolarHBondContact O-CB 3.45Å; I110-R114 WeakPolarHBondContact O-CG 3.37Å; I110-R114 PolarHBondContact O-N 3.02Å; R114-K116 HydrophobicContact CB-CB 4.21Å; R114-K116 WeakPolarHBondContact O-CG 3.23Å; R114-K116 PolarHBondContact O-N 3.49Å; R114-E122 IonicContact NH1-OE1 2.62Å; R114-L290 VanDerWaalsContact NH1-CB 3.33Å; R114-E293 HydrophobicContact CG-CG 4.24Å; R114-E293 IonicContact CZ-OE2 2.71Å; R114-E293 IonicContact NE-OE1 2.69Å; R114-E293 IonicContact NE-OE2 3.08Å; R114-E293 PolarHBondContact NE-OE2 3.13Å; R114-E293 IonicContact NH2-OE2 2.88Å; R114-E293 PolarHBondContact NH2-OE2 2.72Å; R114-A294 HydrophobicContact CG-CB 4.2Å; R114-I297 HydrophobicContact CG-CD1 4.38Å
115N96.9Very high97.8Very high149 Ų14941.7 Ų41.780%0.79722%0.215SC*.THydrogen-bonded Turntrans51.440.3-170.1-166.240.2000112I111 R112 L113I111-N115 WeakPolarHBondContact O-CA 3.27Å; I111-N115 PolarHBondContact O-N 3.45Å; R112-N115 PolarHBondContact O-N 2.72Å; L113-N115 VanDerWaalsContact C-N 3.26Å; L113-N115 PolarHBondContact O-N 2.9Å
116K97.9Very high97.9Very high106 Ų10641 Ų4146%0.46121%0.208SC..  trans-144.5135.8-175.6-70.9171.1-169.2165.40109.2I111 R114 E293I111-K116 PolarHBondContact O-N 2.76Å; R114-K116 HydrophobicContact CB-CB 4.21Å; R114-K116 WeakPolarHBondContact O-CG 3.23Å; R114-K116 PolarHBondContact O-N 3.49Å; K116-E293 IonicContact NZ-OE1 3.11Å; K116-E293 PolarHBondContact NZ-OE1 3.32Å; K116-E293 IonicContact NZ-OE2 2.75Å
117T98.4Very high98Very high64 Ų6440.8 Ų40.839%0.39321%0.206SC..PPolyproline II helixtrans-75.9168.717158.70000111A215T117-A215 VanDerWaalsContact CB-O 3.27Å; T117-A215 WeakPolarHBondContact CB-O 3.21Å; T117-A215 WeakPolarHBondContact CG2-O 3.39Å; T117-A215 PolarHBondContact OG1-O 3.45Å
118L98.8Very high98Very high4 Ų443.7 Ų43.72%0.02122%0.219CC..PPolyproline II helixtrans-88.9147.6-177.3-57.3-171.3000111.8V107 I111 E122 I123 I126 M214V107-L118 HydrophobicContact CG1-CD1 3.81Å; I111-L118 HydrophobicContact CD1-CG 4.23Å; I111-L118 HydrophobicContact CG1-CD2 4.2Å; I111-L118 HydrophobicContact CG1-CG 4.08Å; L118-E122 HydrophobicContact CB-CB 4.31Å; L118-I123 HydrophobicContact CB-CD1 4.07Å; L118-I123 HydrophobicContact CB-CG1 3.6Å; L118-I123 HydrophobicContact CD1-CG1 4.39Å; L118-I126 HydrophobicContact CD1-CD1 3.58Å; L118-M214 HydrophobicContact CD1-CB 4.26Å; L118-M214 HydrophobicContact CD1-CG 4.29Å; L118-M214 HydrophobicContact CD1-SD 4.21Å; L118-M214 PolarHBondContact N-O 3.46Å
119T98.8Very high98.1Very high79 Ų7942.4 Ų42.449%0.48521%0.21SC..PPolyproline II helixtrans-75.3160.3170.5640000111.2D121 E122 I123T119-D121 VanDerWaalsContact C-N 3.32Å; T119-D121 PolarHBondContact O-N 3.07Å; T119-E122 WeakPolarHBondContact CB-OE2 3.42Å; T119-E122 PolarHBondContact N-OE2 3.44Å; T119-E122 PolarHBondContact O-N 2.99Å; T119-E122 VanDerWaalsContact OG1-CG 3.22Å; T119-E122 WeakPolarHBondContact OG1-CG 3.24Å; T119-E122 PolarHBondContact OG1-OE2 3.46Å; T119-I123 VanDerWaalsContact O-CG1 3.27Å; T119-I123 WeakPolarHBondContact O-CG1 3.28Å; T119-I123 PolarHBondContact O-N 3.1Å
120E98.8Very high98.3Very high42 Ų4240.2 Ų40.220%0.19620%0.198CC..Hα-helixtrans-57.8-41179.6-74.7-165.3-146.400113.7I123 A124 W247 S248 F251 F277E120-I123 PolarHBondContact O-N 3.46Å; E120-A124 VanDerWaalsContact O-CB 3.29Å; E120-A124 WeakPolarHBondContact O-CB 3.27Å; E120-A124 PolarHBondContact O-N 2.96Å; E120-W247 HydrophobicContact CG-CE3 3.79Å; E120-W247 HydrophobicContact CG-CZ3 4.05Å; E120-W247 VanDerWaalsContact OE1-CA 3.3Å; E120-W247 WeakPolarHBondContact OE1-CA 3.38Å; E120-S248 PolarHBondContact OE1-N 2.99Å; E120-S248 VanDerWaalsContact OE2-CB 3.28Å; E120-S248 WeakPolarHBondContact OE2-CB 3.37Å; E120-S248 PolarHBondContact OE2-OG 3.28Å; E120-F251 HydrophobicContact CG-CB 4.48Å; E120-F251 HydrophobicContact CG-CD1 3.68Å; E120-F251 HydrophobicContact CG-CE1 4.24Å; E120-F251 HydrophobicContact CG-CG 4.34Å; E120-F251 WeakPolarHBondContact OE2-CB 3.45Å; E120-F277 HydrophobicContact CB-CE2 4.12Å; E120-F277 HydrophobicContact CG-CE2 4.46Å
121D98.8Very high98.3Very high76 Ų7640.1 Ų40.141%0.40620%0.198SC..Hα-helixtrans-64.2-41.9179.2-88.9-22.5000111.3T119 T125 K282 I286T119-D121 VanDerWaalsContact C-N 3.32Å; T119-D121 PolarHBondContact O-N 3.07Å; D121-T125 WeakPolarHBondContact O-CB 3.41Å; D121-T125 PolarHBondContact O-N 3.07Å; D121-T125 VanDerWaalsContact O-N 3.11Å; D121-T125 PolarHBondContact O-OG1 2.98Å; D121-K282 HydrophobicContact CB-CG 4.1Å; D121-K282 VanDerWaalsContact OD1-CE 3.27Å; D121-K282 WeakPolarHBondContact OD1-CE 3.31Å; D121-K282 VanDerWaalsContact OD2-CE 3.25Å; D121-K282 WeakPolarHBondContact OD2-CE 3.26Å; D121-I286 VanDerWaalsContact C-CD1 3.5Å; D121-I286 HydrophobicContact CB-CD1 3.87Å; D121-I286 WeakPolarHBondContact O-CD1 3.28Å
122E98.8Very high98.4Very high22 Ų2242.5 Ų42.510%0.10321%0.207CC..Hα-helixtrans-63.1-47.6174.9-67.8165.8144.800110.7R114 L118 T119 T125 I126 I286 L287 L290R114-E122 IonicContact NH1-OE1 2.62Å; L118-E122 HydrophobicContact CB-CB 4.31Å; T119-E122 WeakPolarHBondContact CB-OE2 3.42Å; T119-E122 PolarHBondContact N-OE2 3.44Å; T119-E122 PolarHBondContact O-N 2.99Å; T119-E122 VanDerWaalsContact OG1-CG 3.22Å; T119-E122 WeakPolarHBondContact OG1-CG 3.24Å; T119-E122 PolarHBondContact OG1-OE2 3.46Å; E122-T125 PolarHBondContact O-N 3Å; E122-I126 WeakPolarHBondContact O-CG1 3.38Å; E122-I126 PolarHBondContact O-N 3.46Å; E122-I286 HydrophobicContact CG-CD1 4.43Å; E122-L287 HydrophobicContact CB-CD2 3.94Å; E122-L287 HydrophobicContact CG-CD2 4.09Å; E122-L290 HydrophobicContact CB-CD2 4.2Å; E122-L290 HydrophobicContact CG-CD2 3.65Å; E122-L290 VanDerWaalsContact OE1-CD2 3.23Å; E122-L290 WeakPolarHBondContact OE1-CD2 3.11Å
123I98.9Very high98.4Very high0 Ų035.7 Ų35.70%018%0.182CC..Hα-helixtrans-59.4-50.7178.3-68.7171.2000110.9L118 T119 E120 T125 I126 L127 M214 A215 F251 F277L118-I123 HydrophobicContact CB-CD1 4.07Å; L118-I123 HydrophobicContact CB-CG1 3.6Å; L118-I123 HydrophobicContact CD1-CG1 4.39Å; T119-I123 VanDerWaalsContact O-CG1 3.27Å; T119-I123 WeakPolarHBondContact O-CG1 3.28Å; T119-I123 PolarHBondContact O-N 3.1Å; E120-I123 PolarHBondContact O-N 3.46Å; I123-T125 VanDerWaalsContact C-N 3.26Å; I123-T125 PolarHBondContact O-N 2.9Å; I123-I126 PolarHBondContact O-N 2.94Å; I123-L127 HydrophobicContact CG2-CD1 3.47Å; I123-L127 VanDerWaalsContact CG2-CD1 3.47Å; I123-L127 HydrophobicContact CG2-CG 4.04Å; I123-L127 VanDerWaalsContact O-CB 3.32Å; I123-L127 WeakPolarHBondContact O-CB 3.31Å; I123-L127 VanDerWaalsContact O-CG 3.27Å; I123-L127 WeakPolarHBondContact O-CG 3.36Å; I123-L127 PolarHBondContact O-N 3.17Å; I123-M214 HydrophobicContact CD1-CB 4.02Å; I123-M214 HydrophobicContact CG1-CB 3.9Å; I123-M214 HydrophobicContact CG2-CE 4.29Å; I123-A215 HydrophobicContact CD1-CB 3.93Å; I123-F251 HydrophobicContact CD1-CE1 4.09Å; I123-F251 HydrophobicContact CD1-CZ 3.93Å; I123-F251 HydrophobicContact CG2-CE2 3.92Å; I123-F251 HydrophobicContact CG2-CZ 3.82Å; I123-F277 HydrophobicContact CG2-CE1 4.24Å; I123-F277 HydrophobicContact CG2-CZ 4.18Å
124A98.9Very high98.5Very high2 Ų234.6 Ų34.62%0.01718%0.176CC..Hα-helixtrans-59-39.7-179.800000111.7E120 K128 F277 A281E120-A124 VanDerWaalsContact O-CB 3.29Å; E120-A124 WeakPolarHBondContact O-CB 3.27Å; E120-A124 PolarHBondContact O-N 2.96Å; A124-K128 VanDerWaalsContact O-CB 3.31Å; A124-K128 WeakPolarHBondContact O-CB 3.4Å; A124-K128 PolarHBondContact O-N 3.12Å; A124-F277 HydrophobicContact CB-CD1 4.25Å; A124-F277 HydrophobicContact CB-CD2 4.45Å; A124-F277 HydrophobicContact CB-CE1 3.82Å; A124-F277 HydrophobicContact CB-CE2 4.03Å; A124-F277 HydrophobicContact CB-CZ 3.69Å; A124-A281 HydrophobicContact CB-CB 3.77Å
125T98.9Very high98.6Very high3 Ų336 Ų362%0.01818%0.184CC..Hα-helixtrans-67.6-42.9179.7-57.80000111.9D121 E122 I123 K282 V284 I286 L287D121-T125 WeakPolarHBondContact O-CB 3.41Å; D121-T125 PolarHBondContact O-N 3.07Å; D121-T125 VanDerWaalsContact O-N 3.11Å; D121-T125 PolarHBondContact O-OG1 2.98Å; E122-T125 PolarHBondContact O-N 3Å; I123-T125 VanDerWaalsContact C-N 3.26Å; I123-T125 PolarHBondContact O-N 2.9Å; T125-K282 PolarHBondContact OG1-O 2.9Å; T125-V284 HydrophobicContact CG2-CG1 4.29Å; T125-I286 HydrophobicContact CG2-CG1 4.4Å; T125-I286 WeakPolarHBondContact OG1-CD1 3.48Å; T125-L287 HydrophobicContact CG2-CD1 3.9Å; T125-L287 HydrophobicContact CG2-CD2 4.35Å; T125-L287 HydrophobicContact CG2-CG 4.06Å
126I98.9Very high98.6Very high1 Ų131.4 Ų31.41%0.00516%0.156CC..Hα-helixtrans-64.5-53.2174.5-68.2165.7000109.8V107 L118 E122 I123 K128 S129 T130 I152 L154 A160 M214 L287V107-I126 HydrophobicContact CG2-CD1 4.17Å; V107-I126 HydrophobicContact CG2-CG2 4.11Å; L118-I126 HydrophobicContact CD1-CD1 3.58Å; E122-I126 WeakPolarHBondContact O-CG1 3.38Å; E122-I126 PolarHBondContact O-N 3.46Å; I123-I126 PolarHBondContact O-N 2.94Å; I126-K128 VanDerWaalsContact C-N 3.27Å; I126-K128 PolarHBondContact O-N 3.38Å; I126-S129 PolarHBondContact O-N 3.35Å; I126-T130 PolarHBondContact O-N 3.27Å; I126-T130 PolarHBondContact O-OG1 3.04Å; I126-T130 VanDerWaalsContact O-OG1 3.08Å; I126-I152 HydrophobicContact CG2-CG2 3.99Å; I126-L154 HydrophobicContact CD1-CD1 4.22Å; I126-L154 HydrophobicContact CG1-CD1 4.47Å; I126-A160 HydrophobicContact CG2-CB 4.22Å; I126-M214 HydrophobicContact CG2-SD 4.16Å; I126-L287 HydrophobicContact CD1-CD2 4.4Å; I126-L287 HydrophobicContact CG1-CD1 3.93Å; I126-L287 HydrophobicContact CG1-CD2 4.21Å
127L98.9Very high98.4Very high0 Ų026.4 Ų26.40%013%0.134CC..Hα-helixtrans-60.1-33.9-177.9-72.9176.8000113I123 S129 T130 L131 L207 S211 M214 F254 F277 I278I123-L127 HydrophobicContact CG2-CD1 3.47Å; I123-L127 VanDerWaalsContact CG2-CD1 3.47Å; I123-L127 HydrophobicContact CG2-CG 4.04Å; I123-L127 VanDerWaalsContact O-CB 3.32Å; I123-L127 WeakPolarHBondContact O-CB 3.31Å; I123-L127 VanDerWaalsContact O-CG 3.27Å; I123-L127 WeakPolarHBondContact O-CG 3.36Å; I123-L127 PolarHBondContact O-N 3.17Å; L127-S129 VanDerWaalsContact C-N 3.31Å; L127-S129 PolarHBondContact O-N 3.48Å; L127-T130 PolarHBondContact O-N 3.14Å; L127-L131 VanDerWaalsContact O-CB 3.26Å; L127-L131 WeakPolarHBondContact O-CB 3.4Å; L127-L131 WeakPolarHBondContact O-CG 3.42Å; L127-L131 PolarHBondContact O-N 2.9Å; L127-L207 HydrophobicContact CD2-CD1 3.48Å; L127-L207 VanDerWaalsContact CD2-CD1 3.48Å; L127-L207 HydrophobicContact CD2-CD2 4.49Å; L127-L207 HydrophobicContact CD2-CG 3.91Å; L127-S211 WeakPolarHBondContact CD1-OG 3.4Å; L127-M214 HydrophobicContact CD1-CE 4.32Å; L127-M214 HydrophobicContact CD2-CE 3.45Å; L127-M214 VanDerWaalsContact CD2-CE 3.45Å; L127-M214 HydrophobicContact CG-CE 3.77Å; L127-F254 HydrophobicContact CD1-CD1 4.43Å; L127-F254 HydrophobicContact CD1-CE1 3.7Å; L127-F254 HydrophobicContact CD1-CZ 4.18Å; L127-F277 HydrophobicContact CD1-CE1 4.08Å; L127-I278 HydrophobicContact CB-CD1 3.81Å
128K98.9Very high98.2Very high61 Ų6124.8 Ų24.827%0.26512%0.122SC..Hα-helixtrans-59.5-41.4173.9-176.2168.4-174.3163.80112.3A124 I126 K132 I278 A281A124-K128 VanDerWaalsContact O-CB 3.31Å; A124-K128 WeakPolarHBondContact O-CB 3.4Å; A124-K128 PolarHBondContact O-N 3.12Å; I126-K128 VanDerWaalsContact C-N 3.27Å; I126-K128 PolarHBondContact O-N 3.38Å; K128-K132 WeakPolarHBondContact O-CG 3.44Å; K128-K132 PolarHBondContact O-N 2.75Å; K128-I278 HydrophobicContact CB-CG2 3.86Å; K128-I278 HydrophobicContact CD-CG2 4.36Å; K128-I278 HydrophobicContact CG-CG2 3.9Å; K128-I278 PolarHBondContact NZ-O 3.12Å; K128-A281 HydrophobicContact CB-CB 4.39Å; K128-A281 HydrophobicContact CD-CB 3.87Å
129S98.7Very high98Very high12 Ų1232.8 Ų32.88%0.08416%0.157CC..Hα-helixtrans-74.9-41.1177.6-60.90000111I126 L127 L131 K132 G133I126-S129 PolarHBondContact O-N 3.35Å; L127-S129 VanDerWaalsContact C-N 3.31Å; L127-S129 PolarHBondContact O-N 3.48Å; S129-L131 PolarHBondContact O-N 2.92Å; S129-K132 PolarHBondContact O-N 3.45Å; S129-G133 PolarHBondContact O-N 3.2Å
130T98.9Very high97.6Very high1 Ų133 Ų331%0.00615%0.153CC..Hα-helixtrans-58.1-45.1174.2-52.90000111.8I126 L127 K132 G133 L134 I152 L162 L207I126-T130 PolarHBondContact O-N 3.27Å; I126-T130 PolarHBondContact O-OG1 3.04Å; I126-T130 VanDerWaalsContact O-OG1 3.08Å; L127-T130 PolarHBondContact O-N 3.14Å; T130-K132 VanDerWaalsContact C-N 3.34Å; T130-K132 PolarHBondContact O-N 3.49Å; T130-G133 WeakPolarHBondContact O-CA 3.28Å; T130-G133 PolarHBondContact O-N 2.81Å; T130-G133 VanDerWaalsContact O-N 3.1Å; T130-L134 PolarHBondContact O-N 3.49Å; T130-I152 HydrophobicContact CG2-CD1 3.8Å; T130-I152 HydrophobicContact CG2-CG1 4.24Å; T130-L162 HydrophobicContact CG2-CD2 3.78Å; T130-L207 HydrophobicContact CG2-CD1 3.52Å
131L98.9Very high97.1Very high0 Ų042.2 Ų42.20%019%0.186CC..Hα-helixtrans-62.7-36.9177-82.5167.2000112.7L127 S129 G133 L134 E135 I204 L207 F254 A269 L272 L273 I278L127-L131 VanDerWaalsContact O-CB 3.26Å; L127-L131 WeakPolarHBondContact O-CB 3.4Å; L127-L131 WeakPolarHBondContact O-CG 3.42Å; L127-L131 PolarHBondContact O-N 2.9Å; S129-L131 PolarHBondContact O-N 2.92Å; L131-G133 VanDerWaalsContact C-N 3.32Å; L131-L134 PolarHBondContact O-N 2.97Å; L131-E135 VanDerWaalsContact O-CB 3.32Å; L131-E135 WeakPolarHBondContact O-CB 3.42Å; L131-E135 PolarHBondContact O-N 3.15Å; L131-I204 HydrophobicContact CD2-CD1 4.43Å; L131-L207 HydrophobicContact CD2-CD2 3.44Å; L131-L207 VanDerWaalsContact CD2-CD2 3.44Å; L131-L207 HydrophobicContact CG-CD2 3.76Å; L131-F254 HydrophobicContact CD1-CE2 4.05Å; L131-F254 HydrophobicContact CD1-CZ 4.16Å; L131-A269 HydrophobicContact CD2-CB 4.18Å; L131-L272 HydrophobicContact CD1-CB 4Å; L131-L272 HydrophobicContact CD2-CB 3.81Å; L131-L272 HydrophobicContact CD2-CD1 4.12Å; L131-L273 HydrophobicContact CB-CD2 3.62Å; L131-L273 HydrophobicContact CB-CG 3.91Å; L131-L273 HydrophobicContact CD1-CD2 4.36Å; L131-I278 HydrophobicContact CD1-CD1 3.96Å; L131-I278 HydrophobicContact CD1-CG1 3.77Å; L131-I278 HydrophobicContact CD1-CG2 4.09Å
132K98.8Very high96.6Very high69 Ų6939.7 Ų39.730%0.317%0.172SC..Hα-helixtrans-67.1-35.1173-69.7177.3-178.3176.90112.1Y81 K128 S129 T130 Y136 L273Y81-K132 HydrophobicContact CD1-CB 4.09Å; Y81-K132 HydrophobicContact CD1-CD 4.46Å; Y81-K132 HydrophobicContact CD2-CB 3.6Å; Y81-K132 HydrophobicContact CD2-CD 4.46Å; Y81-K132 HydrophobicContact CE1-CB 4.1Å; Y81-K132 HydrophobicContact CE1-CD 3.67Å; Y81-K132 HydrophobicContact CE2-CB 3.61Å; Y81-K132 HydrophobicContact CE2-CD 3.69Å; Y81-K132 HydrophobicContact CE2-CG 4.29Å; Y81-K132 HydrophobicContact CG-CB 3.86Å; Y81-K132 WeakPolarHBondContact OH-CD 3.27Å; Y81-K132 PolarHBondContact OH-NZ 2.82Å; Y81-K132 VanDerWaalsContact OH-NZ 3.14Å; K128-K132 WeakPolarHBondContact O-CG 3.44Å; K128-K132 PolarHBondContact O-N 2.75Å; S129-K132 PolarHBondContact O-N 3.45Å; T130-K132 VanDerWaalsContact C-N 3.34Å; T130-K132 PolarHBondContact O-N 3.49Å; K132-Y136 WeakPolarHBondContact O-CB 3.43Å; K132-Y136 PolarHBondContact O-N 2.82Å; K132-Y136 VanDerWaalsContact O-N 3.1Å; K132-L273 HydrophobicContact CG-CD1 4.23Å; K132-L273 HydrophobicContact CG-CD2 3.92Å
133G98.1Very high96Very high0 Ų040.4 Ų40.40%018%0.176CC..Hα-helixtrans-62.3-48170.500000112S129 T130 L131 Y136 L137S129-G133 PolarHBondContact O-N 3.2Å; T130-G133 WeakPolarHBondContact O-CA 3.28Å; T130-G133 PolarHBondContact O-N 2.81Å; T130-G133 VanDerWaalsContact O-N 3.1Å; L131-G133 VanDerWaalsContact C-N 3.32Å; G133-Y136 WeakPolarHBondContact O-CB 3.43Å; G133-Y136 PolarHBondContact O-N 3.48Å; G133-L137 WeakPolarHBondContact O-CG 3.45Å; G133-L137 PolarHBondContact O-N 3.14Å
134L97.9Very high95.6Very high0 Ų040.4 Ų40.40%018%0.176CC..Hα-helixtrans-64.4-44177.6-71.2177.6000112.3T130 L131 Y136 L137 H138 H144 I147 L162 D203 I204 L207 A269T130-L134 PolarHBondContact O-N 3.49Å; L131-L134 PolarHBondContact O-N 2.97Å; L134-Y136 VanDerWaalsContact C-N 3.3Å; L134-Y136 PolarHBondContact O-N 3.34Å; L134-L137 PolarHBondContact O-N 3.3Å; L134-H138 VanDerWaalsContact O-CB 3.3Å; L134-H138 WeakPolarHBondContact O-CB 3.44Å; L134-H138 PolarHBondContact O-CD2 2.81Å; L134-H138 VanDerWaalsContact O-CD2 3.31Å; L134-H138 PolarHBondContact O-N 3.16Å; L134-H144 HydrophobicContact CD2-CB 4.3Å; L134-I147 HydrophobicContact CD2-CD1 3.81Å; L134-I147 HydrophobicContact CD2-CG1 4.09Å; L134-L162 HydrophobicContact CD2-CD1 4.04Å; L134-L162 HydrophobicContact CG-CD1 4.22Å; L134-D203 HydrophobicContact CD1-CB 4.4Å; L134-D203 HydrophobicContact CD2-CB 3.79Å; L134-I204 HydrophobicContact CD1-CD1 4.2Å; L134-L207 HydrophobicContact CD1-CB 4.41Å; L134-L207 HydrophobicContact CD1-CD1 4.26Å; L134-L207 HydrophobicContact CD1-CD2 4.14Å; L134-A269 HydrophobicContact CB-CB 4.11Å
135E98.4Very high95.1Very high66 Ų6644.6 Ų44.631%0.30819%0.191SC..Hα-helixtrans-55.4-46.5174.5177175.7-113.800111.3L131 H138 F139 A269 T270 L273L131-E135 VanDerWaalsContact O-CB 3.32Å; L131-E135 WeakPolarHBondContact O-CB 3.42Å; L131-E135 PolarHBondContact O-N 3.15Å; E135-H138 PolarHBondContact O-N 2.89Å; E135-F139 VanDerWaalsContact O-CB 3.28Å; E135-F139 WeakPolarHBondContact O-CB 3.41Å; E135-F139 PolarHBondContact O-N 2.89Å; E135-A269 HydrophobicContact CB-CB 3.97Å; E135-T270 WeakPolarHBondContact OE1-CA 3.46Å; E135-T270 VanDerWaalsContact OE1-CB 3.29Å; E135-T270 WeakPolarHBondContact OE1-CB 3.46Å; E135-T270 WeakPolarHBondContact OE1-CG2 3.18Å; E135-T270 PolarHBondContact OE1-OG1 2.93Å; E135-L273 HydrophobicContact CB-CD1 4.33Å; E135-L273 WeakPolarHBondContact OE2-CD1 3.48Å
136Y97.3Very high94.6Very high52 Ų5246.8 Ų46.820%0.20420%0.203CC..Hα-helixtrans-59.8-48.8175.7169.7-97000112.3C77 D78 V82 K132 G133 L134 F139 M140C77-Y136 HydrophobicContact CB-CE1 4.17Å; D78-Y136 PolarHBondContact N-OH 2.84Å; V82-Y136 HydrophobicContact CG2-CD1 4.2Å; K132-Y136 WeakPolarHBondContact O-CB 3.43Å; K132-Y136 PolarHBondContact O-N 2.82Å; K132-Y136 VanDerWaalsContact O-N 3.1Å; G133-Y136 WeakPolarHBondContact O-CB 3.43Å; G133-Y136 PolarHBondContact O-N 3.48Å; L134-Y136 VanDerWaalsContact C-N 3.3Å; L134-Y136 PolarHBondContact O-N 3.34Å; Y136-F139 PolarHBondContact O-N 3.26Å; Y136-M140 HydrophobicContact CE1-CG 4.4Å; Y136-M140 HydrophobicContact CE2-CG 4.13Å; Y136-M140 WeakPolarHBondContact O-CG 3.39Å; Y136-M140 PolarHBondContact O-N 2.81Å; Y136-M140 VanDerWaalsContact O-N 3.08Å
137L93.8Very high94.5Very high0 Ų046.8 Ų46.80%020%0.203CC..Hα-helixtrans-63-45.5-179.8-69.5174.9000111.8V82 G133 L134 F139 M140 R141 K142 H144 L162 F165V82-L137 HydrophobicContact CG2-CD2 4.29Å; V82-L137 HydrophobicContact CG2-CG 4.42Å; G133-L137 WeakPolarHBondContact O-CG 3.45Å; G133-L137 PolarHBondContact O-N 3.14Å; L134-L137 PolarHBondContact O-N 3.3Å; L137-F139 VanDerWaalsContact C-N 3.33Å; L137-F139 PolarHBondContact O-N 3.4Å; L137-M140 CarbonylContact O-C 3.51Å; L137-M140 WeakPolarHBondContact O-CA 3.39Å; L137-M140 PolarHBondContact O-N 3.26Å; L137-M140 VanDerWaalsContact O-N 3.1Å; L137-R141 PolarHBondContact O-N 2.8Å; L137-K142 CarbonylContact C-O 3.27Å; L137-K142 HydrophobicContact CB-CB 4.34Å; L137-K142 HydrophobicContact CD2-CB 4.31Å; L137-K142 HydrophobicContact CD2-CD 4.33Å; L137-K142 PolarHBondContact O-N 2.94Å; L137-H144 HydrophobicContact CD1-CB 4.27Å; L137-L162 HydrophobicContact CD1-CD1 3.58Å; L137-F165 HydrophobicContact CD1-CE1 3.6Å; L137-F165 HydrophobicContact CD1-CZ 4.15Å; L137-F165 HydrophobicContact CD2-CE1 3.59Å; L137-F165 HydrophobicContact CD2-CZ 3.85Å; L137-F165 HydrophobicContact CG-CE1 4.24Å
138H94.1Very high94.3Very high30 Ų3049.3 Ų49.314%0.13921%0.214CC..Hα-helixtrans-65.5-38.2-178.8-63.6178.3000111.3L134 E135 M140 R141 K142 C200 D203L134-H138 VanDerWaalsContact O-CB 3.3Å; L134-H138 WeakPolarHBondContact O-CB 3.44Å; L134-H138 PolarHBondContact O-CD2 2.81Å; L134-H138 VanDerWaalsContact O-CD2 3.31Å; L134-H138 PolarHBondContact O-N 3.16Å; E135-H138 PolarHBondContact O-N 2.89Å; H138-M140 VanDerWaalsContact C-N 3.31Å; H138-M140 PolarHBondContact O-N 3.07Å; H138-R141 PolarHBondContact O-N 2.9Å; H138-K142 PolarHBondContact CD2-O 2.9Å; H138-C200 HydrophobicContact CB-CB 3.98Å; H138-C200 PolarHBondContact CE1-O 2.87Å; H138-C200 PolarHBondContact NE2-O 3.16Å; H138-C200 VanDerWaalsContact NE2-O 3.14Å; H138-D203 IonicContact CD2-OD2 4Å; H138-D203 IonicContact CE1-OD2 2.77Å; H138-D203 IonicContact NE2-OD2 3.77Å; H138-D203 PolarHBondContact NE2-OD2 2.93Å
139F94.1Very high94.3Very high172 Ų17246.4 Ų46.475%0.75420%0.201SC*.Hα-helixtrans-60.6-40.9171.7178.8-97.6000112E135 Y136 L137 R141E135-F139 VanDerWaalsContact O-CB 3.28Å; E135-F139 WeakPolarHBondContact O-CB 3.41Å; E135-F139 PolarHBondContact O-N 2.89Å; Y136-F139 PolarHBondContact O-N 3.26Å; L137-F139 VanDerWaalsContact C-N 3.33Å; L137-F139 PolarHBondContact O-N 3.4Å; F139-R141 PolarHBondContact O-N 2.99Å
140M90.6Very high94.1Very high84 Ų8446.9 Ų46.941%0.41421%0.208SC..THydrogen-bonded Turntrans-75.97.9174.7-65.8-64.6-68.200113.7Y136 L137 H138 K142Y136-M140 HydrophobicContact CE1-CG 4.4Å; Y136-M140 HydrophobicContact CE2-CG 4.13Å; Y136-M140 WeakPolarHBondContact O-CG 3.39Å; Y136-M140 PolarHBondContact O-N 2.81Å; Y136-M140 VanDerWaalsContact O-N 3.08Å; L137-M140 CarbonylContact O-C 3.51Å; L137-M140 WeakPolarHBondContact O-CA 3.39Å; L137-M140 PolarHBondContact O-N 3.26Å; L137-M140 VanDerWaalsContact O-N 3.1Å; H138-M140 VanDerWaalsContact C-N 3.31Å; H138-M140 PolarHBondContact O-N 3.07Å; M140-K142 HydrophobicContact CB-CD 4.29Å; M140-K142 HydrophobicContact CB-CG 4.46Å; M140-K142 PolarHBondContact O-N 3.4Å
141R88.9Confident93.9Very high236 Ų23647.4 Ų47.489%0.89121%0.211SC*.THydrogen-bonded Turntrans57.230.9-176.5-55.7-177.8178.9-177.7-0.9113.6L137 H138 F139L137-R141 PolarHBondContact O-N 2.8Å; H138-R141 PolarHBondContact O-N 2.9Å; F139-R141 PolarHBondContact O-N 2.99Å
142K87.3Confident93.8Very high23 Ų2347.4 Ų47.410%0.121%0.211CC..  trans-103.4147.3173.1-67.6171.2175.1177.60109.6I73 Q76 C77 L137 H138 M140I73-K142 HydrophobicContact CG2-CD 4.07Å; I73-K142 PolarHBondContact O-NZ 3.48Å; I73-K142 VanDerWaalsContact O-NZ 3.07Å; Q76-K142 PolarHBondContact O-NZ 3.44Å; C77-K142 PolarHBondContact SG-NZ 3.37Å; L137-K142 CarbonylContact C-O 3.27Å; L137-K142 HydrophobicContact CB-CB 4.34Å; L137-K142 HydrophobicContact CD2-CB 4.31Å; L137-K142 HydrophobicContact CD2-CD 4.33Å; L137-K142 PolarHBondContact O-N 2.94Å; H138-K142 PolarHBondContact CD2-O 2.9Å; M140-K142 HydrophobicContact CB-CD 4.29Å; M140-K142 HydrophobicContact CB-CG 4.46Å; M140-K142 PolarHBondContact O-N 3.4Å
143I87.3Confident93.8Very high36 Ų3645.7 Ų45.719%0.18521%0.205CC..  trans-121.5131.5176.7-51.8174.7000106.3R145 Y198I143-R145 HydrophobicContact CB-CG 4.12Å; I143-R145 HydrophobicContact CG2-CG 3.75Å; I143-Y198 HydrophobicContact CD1-CD2 3.76Å; I143-Y198 HydrophobicContact CD1-CE2 3.83Å; I143-Y198 HydrophobicContact CG2-CD2 4.47Å
144H90.8Very high93.8Very high0 Ų045.8 Ų45.80%021%0.205CC..  trans-73.3-42.1-176-169.5-74.9000112.4L134 L137 D146 I147 A163 D164 F165 G166 D203L134-H144 HydrophobicContact CD2-CB 4.3Å; L137-H144 HydrophobicContact CD1-CB 4.27Å; H144-D146 PolarHBondContact CE1-O 2.78Å; H144-D146 PolarHBondContact ND1-N 2.77Å; H144-D146 PolarHBondContact ND1-O 3.42Å; H144-D146 PolarHBondContact O-N 2.82Å; H144-I147 HydrophobicContact CB-CD1 3.81Å; H144-I147 HydrophobicContact CB-CG1 3.88Å; H144-I147 WeakPolarHBondContact ND1-CD1 3.36Å; H144-A163 PolarHBondContact CE1-O 2.94Å; H144-A163 VanDerWaalsContact CE1-O 3.22Å; H144-A163 PolarHBondContact NE2-O 3.45Å; H144-A163 VanDerWaalsContact NE2-O 3.08Å; H144-D164 PolarHBondContact CE1-O 3.45Å; H144-D164 VanDerWaalsContact CE1-O 3.24Å; H144-F165 AromaticContact CD2-CD1 3.99Å; H144-F165 AromaticContact CD2-CE1 3.96Å; H144-G166 PolarHBondContact O-N 2.93Å; H144-D203 PolarHBondContact N-OD1 3.33Å; H144-D203 PolarHBondContact N-OD2 3.29Å
145R87.9Confident93.7Very high91 Ų9146.6 Ų46.634%0.34321%0.21SC..  trans70.1-19.4174.1-53.9168.4-177.4-151-0.4116.9I143 G166 Y198 D203I143-R145 HydrophobicContact CB-CG 4.12Å; I143-R145 HydrophobicContact CG2-CG 3.75Å; R145-G166 WeakPolarHBondContact CB-O 3.38Å; R145-G166 WeakPolarHBondContact CD-O 3.47Å; R145-Y198 HydrophobicContact CG-CE2 4.46Å; R145-Y198 PolarHBondContact NH1-OH 3.03Å; R145-Y198 PolarHBondContact NH2-OH 3.44Å; R145-D203 PolarHBondContact N-OD1 3.36Å
146D89Confident93.5Very high49 Ų4947.5 Ų47.526%0.26222%0.22SC..  trans-129.555.6177.5-166.423.3000111.8H144 K148 N151H144-D146 PolarHBondContact CE1-O 2.78Å; H144-D146 PolarHBondContact ND1-N 2.77Å; H144-D146 PolarHBondContact ND1-O 3.42Å; H144-D146 PolarHBondContact O-N 2.82Å; D146-K148 PolarHBondContact O-N 3.21Å; D146-K148 IonicContact OD1-NZ 3.61Å; D146-K148 PolarHBondContact OD1-NZ 3.18Å; D146-K148 IonicContact OD2-NZ 3.23Å; D146-K148 PolarHBondContact OD2-NZ 3.15Å; D146-N151 PolarHBondContact O-ND2 2.93Å; D146-N151 PolarHBondContact OD2-ND2 3.42Å
147I95.3Very high93.4Very high1 Ų150.1 Ų50.11%0.00523%0.234CC..  trans-79.9118.6175.3-65.5-67.6000109.6L134 H144 L162 D203 L207L134-I147 HydrophobicContact CD2-CD1 3.81Å; L134-I147 HydrophobicContact CD2-CG1 4.09Å; H144-I147 HydrophobicContact CB-CD1 3.81Å; H144-I147 HydrophobicContact CB-CG1 3.88Å; H144-I147 WeakPolarHBondContact ND1-CD1 3.36Å; I147-L162 HydrophobicContact CD1-CD2 3.5Å; I147-D203 HydrophobicContact CG1-CB 4.17Å; I147-L207 HydrophobicContact CG2-CB 4.39Å; I147-L207 HydrophobicContact CG2-CD1 4.35Å
148K96.1Very high93.5Very high53 Ų5350.1 Ų50.123%0.2323%0.234CC..SBendtrans-158.1165.3176.160.9-170.1178.3-139.30110.1D146 G150 N151 W187 T210D146-K148 PolarHBondContact O-N 3.21Å; D146-K148 IonicContact OD1-NZ 3.61Å; D146-K148 PolarHBondContact OD1-NZ 3.18Å; D146-K148 IonicContact OD2-NZ 3.23Å; D146-K148 PolarHBondContact OD2-NZ 3.15Å; K148-G150 PolarHBondContact O-N 3.11Å; K148-G150 VanDerWaalsContact O-N 3.15Å; K148-N151 WeakPolarHBondContact CE-ND2 3.18Å; K148-N151 VanDerWaalsContact CE-OD1 3.28Å; K148-N151 WeakPolarHBondContact CE-OD1 3.46Å; K148-N151 HydrophobicContact CG-CB 4.16Å; K148-N151 PolarHBondContact O-N 2.73Å; K148-W187 HydrophobicContact CB-CD2 3.97Å; K148-W187 HydrophobicContact CB-CG 4.13Å; K148-W187 HydrophobicContact CB-CZ2 4.1Å; K148-T210 WeakPolarHBondContact CA-OG1 3.41Å
149A97.4Very high93.7Very high0 Ų052.3 Ų52.30%024%0.244CC..G310 helixtrans-62.1-26-17900000112.9V107 S108 N151 T210 E213 M214V107-A149 HydrophobicContact CB-CB 4.15Å; V107-A149 HydrophobicContact CG1-CB 4.16Å; V107-A149 PolarHBondContact N-O 2.9Å; S108-A149 PolarHBondContact N-O 3.32Å; S108-A149 VanDerWaalsContact N-O 3.16Å; A149-N151 VanDerWaalsContact C-N 3.28Å; A149-N151 PolarHBondContact O-N 3.34Å; A149-T210 HydrophobicContact CB-CG2 4.13Å; A149-E213 HydrophobicContact CB-CG 4.11Å; A149-E213 WeakPolarHBondContact CB-OE1 3.31Å; A149-E213 WeakPolarHBondContact CB-OE2 3.05Å; A149-E213 PolarHBondContact N-OE2 3.07Å; A149-M214 HydrophobicContact CB-CG 4.46Å
150G94.4Very high93.9Very high22 Ų2244.2 Ų44.223%0.22721%0.208CC..G310 helixtrans-66.7-23.8173.900000114.7S106 K148S106-G150 WeakPolarHBondContact CB-O 3.2Å; K148-G150 PolarHBondContact O-N 3.11Å; K148-G150 VanDerWaalsContact O-N 3.15Å
151N95.3Very high94.3Very high11 Ų1140.7 Ų40.76%0.05919%0.191CC..G310 helixtrans-107.510-176.1-67.54.7000112.7D146 K148 A149 A163D146-N151 PolarHBondContact O-ND2 2.93Å; D146-N151 PolarHBondContact OD2-ND2 3.42Å; K148-N151 WeakPolarHBondContact CE-ND2 3.18Å; K148-N151 VanDerWaalsContact CE-OD1 3.28Å; K148-N151 WeakPolarHBondContact CE-OD1 3.46Å; K148-N151 HydrophobicContact CG-CB 4.16Å; K148-N151 PolarHBondContact O-N 2.73Å; A149-N151 VanDerWaalsContact C-N 3.28Å; A149-N151 PolarHBondContact O-N 3.34Å; N151-A163 PolarHBondContact O-N 3.26Å
152I98.3Very high94.7Very high1 Ų129.5 Ų29.51%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-107.9107.3170.7-59.6169.7000106.5S106 V107 I126 T130 A160 L162 T210S106-I152 CarbonylContact C-O 3.39Å; S106-I152 WeakPolarHBondContact CA-O 3.49Å; V107-I152 HydrophobicContact CG2-CB 4.12Å; V107-I152 HydrophobicContact CG2-CG2 3.9Å; V107-I152 WeakPolarHBondContact CG2-O 3.34Å; V107-I152 PolarHBondContact N-O 2.89Å; I126-I152 HydrophobicContact CG2-CG2 3.99Å; T130-I152 HydrophobicContact CG2-CD1 3.8Å; T130-I152 HydrophobicContact CG2-CG1 4.24Å; I152-A160 HydrophobicContact CG2-CB 4.04Å; I152-L162 HydrophobicContact CG1-CD2 4.4Å; I152-T210 HydrophobicContact CD1-CG2 3.88Å
153L97.9Very high94.9Very high33 Ų3328.6 Ų28.617%0.17315%0.146CC..EExtended strand (participates in β ladder)trans-97.1145.6-177.9-53.6-172.1000111.2V83 C102 G105 A160 K161 A163V83-L153 HydrophobicContact CG2-CD1 4.05Å; C102-L153 HydrophobicContact CB-CB 3.57Å; C102-L153 HydrophobicContact CB-CD1 4.05Å; C102-L153 HydrophobicContact CB-CG 4.45Å; G105-L153 WeakPolarHBondContact O-CA 3Å; L153-A160 CarbonylContact O-C 3.46Å; L153-A160 VanDerWaalsContact O-CA 3.27Å; L153-A160 WeakPolarHBondContact O-CA 3.25Å; L153-K161 PolarHBondContact N-O 3.09Å; L153-K161 PolarHBondContact O-N 3.41Å; L153-A163 HydrophobicContact CD1-CB 3.64Å; L153-A163 HydrophobicContact CG-CB 3.69Å
154L98.3Very high94.7Very high1 Ų129.1 Ų29.11%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-111.3130.4173.6-76.8168.4000110.1C102 A104 G105 V107 I110 I126 A160 L287 I291C102-L154 CarbonylContact C-O 3.54Å; C102-L154 VanDerWaalsContact C-O 3.27Å; C102-L154 WeakPolarHBondContact CB-O 3.45Å; A104-L154 HydrophobicContact CB-CB 3.8Å; A104-L154 VanDerWaalsContact CB-O 3.28Å; A104-L154 WeakPolarHBondContact CB-O 3.42Å; A104-L154 PolarHBondContact N-O 3.43Å; G105-L154 PolarHBondContact O-N 2.84Å; V107-L154 HydrophobicContact CG2-CD1 4.2Å; V107-L154 HydrophobicContact CG2-CG 4.49Å; I110-L154 HydrophobicContact CD1-CB 4.31Å; I110-L154 HydrophobicContact CD1-CD1 3.58Å; I110-L154 HydrophobicContact CD1-CG 4.48Å; I126-L154 HydrophobicContact CD1-CD1 4.22Å; I126-L154 HydrophobicContact CG1-CD1 4.47Å; L154-A160 HydrophobicContact CD2-CB 3.73Å; L154-L287 HydrophobicContact CD2-CD1 4.13Å; L154-I291 HydrophobicContact CB-CD1 4.49Å
155N95.8Very high94.1Very high18 Ų1829.5 Ų29.510%0.09615%0.15CC..  trans-79173.2166.580.3-5.9000110.7E157 G158 H159N155-E157 PolarHBondContact ND2-OE2 3.04Å; N155-E157 PolarHBondContact O-N 3.48Å; N155-E157 VanDerWaalsContact O-N 3.11Å; N155-E157 WeakPolarHBondContact OD1-CA 3.29Å; N155-E157 WeakPolarHBondContact OD1-CB 3.23Å; N155-E157 PolarHBondContact OD1-N 3.38Å; N155-G158 PolarHBondContact O-N 2.67Å; N155-G158 PolarHBondContact OD1-N 3.44Å; N155-G158 VanDerWaalsContact OD1-N 3.11Å; N155-H159 PolarHBondContact N-O 3.05Å; N155-H159 WeakPolarHBondContact OD1-CB 3.43Å; N155-H159 PolarHBondContact OD1-N 3.3Å
156T94.6Very high93Very high85 Ų8525.7 Ų25.752%0.52114%0.14SC..THydrogen-bonded Turntrans-63.9-15.7-179.451.80000114M295T156-M295 HydrophobicContact CG2-SD 3.96Å
157E94.9Very high91.3Very high107 Ų10723.7 Ų23.750%0.513%0.13SC..THydrogen-bonded Turntrans-91.6-6.5178.4-61.4168.4168.900112.7N155 H159N155-E157 PolarHBondContact ND2-OE2 3.04Å; N155-E157 PolarHBondContact O-N 3.48Å; N155-E157 VanDerWaalsContact O-N 3.11Å; N155-E157 WeakPolarHBondContact OD1-CA 3.29Å; N155-E157 WeakPolarHBondContact OD1-CB 3.23Å; N155-E157 PolarHBondContact OD1-N 3.38Å; E157-H159 IonicContact OE2-CD2 2.86Å; E157-H159 PolarHBondContact OE2-CD2 3.26Å; E157-H159 VanDerWaalsContact OE2-CD2 3.31Å; E157-H159 IonicContact OE2-NE2 3.19Å
158G96.3Very high88.8Confident0 Ų025.6 Ų25.60%015%0.145CC..  trans87.615.3-177.300000115.1N155 A160 L287 I291N155-G158 PolarHBondContact O-N 2.67Å; N155-G158 PolarHBondContact OD1-N 3.44Å; N155-G158 VanDerWaalsContact OD1-N 3.11Å; G158-A160 PolarHBondContact O-N 3.36Å; G158-L287 WeakPolarHBondContact O-CD1 3.4Å; G158-I291 VanDerWaalsContact CA-CD1 3.44Å
159H98.1Very high86.3Confident76 Ų7625.1 Ų25.135%0.35216%0.156SC..  trans-83.3115.8174.6-62.4-56.4000110.8N155 E157N155-H159 PolarHBondContact N-O 3.05Å; N155-H159 WeakPolarHBondContact OD1-CB 3.43Å; N155-H159 PolarHBondContact OD1-N 3.3Å; E157-H159 IonicContact OE2-CD2 2.86Å; E157-H159 PolarHBondContact OE2-CD2 3.26Å; E157-H159 VanDerWaalsContact OE2-CD2 3.31Å; E157-H159 IonicContact OE2-NE2 3.19Å
160A98.4Very high83.9Confident1 Ų127.2 Ų27.21%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-78.9137.7175.400000111.7I126 I152 L153 L154 G158I126-A160 HydrophobicContact CG2-CB 4.22Å; I152-A160 HydrophobicContact CG2-CB 4.04Å; L153-A160 CarbonylContact O-C 3.46Å; L153-A160 VanDerWaalsContact O-CA 3.27Å; L153-A160 WeakPolarHBondContact O-CA 3.25Å; L154-A160 HydrophobicContact CD2-CB 3.73Å; G158-A160 PolarHBondContact O-N 3.36Å
161K98.4Very high81.5Confident11 Ų1130.3 Ų30.35%0.04818%0.176CC..EExtended strand (participates in β ladder)trans-136.6139-176.4-71.5163.2175.9-78.70110.6P80 Y81 V83 E100 L153P80-K161 WeakPolarHBondContact O-CE 3.49Å; P80-K161 WeakPolarHBondContact O-CG 3.38Å; P80-K161 PolarHBondContact O-NZ 2.96Å; Y81-K161 WeakPolarHBondContact O-CA 3.22Å; V83-K161 HydrophobicContact CG2-CB 3.84Å; E100-K161 VanDerWaalsContact CD-CE 3.43Å; E100-K161 WeakPolarHBondContact OE1-CE 3.23Å; E100-K161 IonicContact OE1-NZ 2.87Å; E100-K161 PolarHBondContact OE1-NZ 3.27Å; E100-K161 WeakPolarHBondContact OE2-CE 3.39Å; E100-K161 IonicContact OE2-NZ 2.68Å; E100-K161 PolarHBondContact OE2-NZ 3.44Å; L153-K161 PolarHBondContact N-O 3.09Å; L153-K161 PolarHBondContact O-N 3.41Å
162L96.8Very high78.9Confident0 Ų034.9 Ų34.90%020%0.204CC..EExtended strand (participates in β ladder)trans-74132.2170.8-64.6176.2000110.2Y81 V83 T130 L134 L137 I147 I152Y81-L162 PolarHBondContact O-N 3.15Å; V83-L162 WeakPolarHBondContact CG2-O 3.45Å; V83-L162 PolarHBondContact N-O 3.23Å; T130-L162 HydrophobicContact CG2-CD2 3.78Å; L134-L162 HydrophobicContact CD2-CD1 4.04Å; L134-L162 HydrophobicContact CG-CD1 4.22Å; L137-L162 HydrophobicContact CD1-CD1 3.58Å; I147-L162 HydrophobicContact CD1-CD2 3.5Å; I152-L162 HydrophobicContact CG1-CD2 4.4Å
163A92.1Very high76.1Confident5 Ų539.1 Ų39.14%0.04123%0.227CC..  trans-130.6168.2177.600000110.7V83 H144 N151 L153V83-A163 HydrophobicContact CB-CB 4.43Å; V83-A163 HydrophobicContact CG2-CB 3.76Å; H144-A163 PolarHBondContact CE1-O 2.94Å; H144-A163 VanDerWaalsContact CE1-O 3.22Å; H144-A163 PolarHBondContact NE2-O 3.45Å; H144-A163 VanDerWaalsContact NE2-O 3.08Å; N151-A163 PolarHBondContact O-N 3.26Å; L153-A163 HydrophobicContact CD1-CB 3.64Å; L153-A163 HydrophobicContact CG-CB 3.69Å
164D83.3Confident73.2Confident47 Ų4742 Ų4225%0.25125%0.247SC..  trans49.382.9174.5-64.5-45.5000113.2K56 E70 H144 G166K56-D164 IonicContact NZ-OD1 2.62Å; K56-D164 PolarHBondContact NZ-OD1 3.31Å; E70-D164 WeakPolarHBondContact OE1-CA 3.42Å; H144-D164 PolarHBondContact CE1-O 3.45Å; H144-D164 VanDerWaalsContact CE1-O 3.24Å; D164-G166 PolarHBondContact O-N 3.28Å
165F77.6Confident70.2Confident7 Ų749.8 Ų49.83%0.03129%0.285CS..  trans-71.5123.9178.6-72.8-94.8000108.8E70 I73 M74 V82 L137 H144 V167E70-F165 HydrophobicContact CG-CB 4.13Å; E70-F165 PolarHBondContact OE1-N 2.89Å; I73-F165 HydrophobicContact CG2-CD1 3.77Å; I73-F165 HydrophobicContact CG2-CD2 4.43Å; I73-F165 HydrophobicContact CG2-CE1 4.04Å; I73-F165 HydrophobicContact CG2-CG 3.98Å; I73-F165 HydrophobicContact CG2-CZ 4.49Å; M74-F165 HydrophobicContact CG-CD2 3.54Å; M74-F165 HydrophobicContact CG-CE2 3.76Å; M74-F165 HydrophobicContact SD-CD2 4.46Å; V82-F165 HydrophobicContact CG1-CE2 3.81Å; V82-F165 HydrophobicContact CG1-CZ 3.64Å; L137-F165 HydrophobicContact CD1-CE1 3.6Å; L137-F165 HydrophobicContact CD1-CZ 4.15Å; L137-F165 HydrophobicContact CD2-CE1 3.59Å; L137-F165 HydrophobicContact CD2-CZ 3.85Å; L137-F165 HydrophobicContact CG-CE1 4.24Å; H144-F165 AromaticContact CD2-CD1 3.99Å; H144-F165 AromaticContact CD2-CE1 3.96Å; F165-V167 VanDerWaalsContact C-N 3.26Å; F165-V167 WeakPolarHBondContact O-CG2 3.32Å; F165-V167 PolarHBondContact O-N 3.29Å
166G65.1Low67.7Low12 Ų1252.9 Ų52.912%0.12431%0.313CS..  trans-69.876.1-178.700000112.5H144 R145 D164H144-G166 PolarHBondContact O-N 2.93Å; R145-G166 WeakPolarHBondContact CB-O 3.38Å; R145-G166 WeakPolarHBondContact CD-O 3.47Å; D164-G166 PolarHBondContact O-N 3.28Å
167V53.9Low65.2Low7 Ų752.1 Ų52.14%0.04230%0.302CS..  trans-79.4-27.4167.3-95.60000111.9E66 K69 E70 I73 F165 G169E66-V167 WeakPolarHBondContact O-CG2 3.39Å; K69-V167 HydrophobicContact CB-CG1 4.01Å; K69-V167 HydrophobicContact CD-CG1 3.93Å; K69-V167 HydrophobicContact CG-CG1 3.76Å; E70-V167 HydrophobicContact CB-CG2 3.43Å; E70-V167 VanDerWaalsContact CB-CG2 3.43Å; E70-V167 HydrophobicContact CG-CG2 3.69Å; I73-V167 HydrophobicContact CD1-CG1 3.84Å; F165-V167 VanDerWaalsContact C-N 3.26Å; F165-V167 WeakPolarHBondContact O-CG2 3.32Å; F165-V167 PolarHBondContact O-N 3.29Å; V167-G169 VanDerWaalsContact C-N 3.31Å; V167-G169 PolarHBondContact O-N 2.83Å
168A42.9Very low62.7Low40 Ų4057 Ų5733%0.33132%0.316SS..THydrogen-bonded Turntrans-7086.1171.900000109.9Y38Y38-A168 HydrophobicContact CE1-CB 4.06Å; Y38-A168 WeakPolarHBondContact OH-CB 3.22Å
169G43.3Very low59.7Low44 Ų4464.6 Ų64.645%0.45436%0.357SS..THydrogen-bonded Turntrans149.318.1-174.800000115.2V167 L171V167-G169 VanDerWaalsContact C-N 3.31Å; V167-G169 PolarHBondContact O-N 2.83Å; G169-L171 PolarHBondContact O-N 3.27Å
170Q46.2Very low57Low44 Ų4465.3 Ų65.321%0.20637%0.367CS..  trans-61.296.9150.3-80.4-178.2-69.800107.3K69 T172 D173K69-Q170 VanDerWaalsContact NZ-NE2 3.15Å; Q170-T172 PolarHBondContact O-N 3.02Å; Q170-D173 PolarHBondContact O-N 3.03Å
171L43.6Very low54.2Low87 Ų8771.5 Ų71.546%0.45540%0.404SS..THydrogen-bonded Turntrans-50-12.6169.1-77.7150000112.6G169 V192 E195G169-L171 PolarHBondContact O-N 3.27Å; L171-V192 HydrophobicContact CD1-CG1 4.28Å; L171-E195 HydrophobicContact CD1-CG 4.4Å
172T40.9Very low52.1Low106 Ų10675.6 Ų75.665%0.6543%0.426SS*.THydrogen-bonded Turntrans-96.6-21-170.7550000115.6Q170Q170-T172 PolarHBondContact O-N 3.02Å
173D39.4Very low50.2Low91 Ų9178 Ų7849%0.48745%0.45SS..SBendtrans-116.787.6-169-70.1-40.3000112.8Q170Q170-D173 PolarHBondContact O-N 3.03Å
174T37.6Very low49.2Very low94 Ų9481.9 Ų81.958%0.57747%0.474SS*.  trans127.6122.6150.254.60000114.7A176 K177T174-A176 PolarHBondContact O-N 3.1Å; T174-K177 PolarHBondContact O-N 3.2Å
175M35.3Very low49.4Very low163 Ų16379.7 Ų79.780%0.80346%0.462SS*.G310 helixtrans-53.6-11.9171.7-67.8174.369.700113.8
176A42.4Very low50.2Low83 Ų8380.3 Ų80.369%0.68646%0.464SS*.G310 helixtrans-72.7-26.5174.400000114T174 R178T174-A176 PolarHBondContact O-N 3.1Å; A176-R178 VanDerWaalsContact C-N 3.35Å; A176-R178 PolarHBondContact O-N 2.68Å
177K43.4Very low51.6Low70 Ų7081.3 Ų81.330%0.30446%0.464SS..G310 helixtrans-85.41.6-178.7-66.5-172.6-178.8-170.30114.7D63 E66 T174 N179 T180D63-K177 VanDerWaalsContact OD2-CE 3.3Å; D63-K177 WeakPolarHBondContact OD2-CE 3.45Å; D63-K177 IonicContact OD2-NZ 3.45Å; D63-K177 PolarHBondContact OD2-NZ 3.4Å; E66-K177 IonicContact OE1-NZ 3.69Å; E66-K177 PolarHBondContact OE1-NZ 3.17Å; E66-K177 IonicContact OE2-NZ 3.57Å; E66-K177 PolarHBondContact OE2-NZ 2.88Å; E66-K177 VanDerWaalsContact OE2-NZ 3.08Å; T174-K177 PolarHBondContact O-N 3.2Å; K177-N179 PolarHBondContact O-N 2.93Å; K177-T180 WeakPolarHBondContact CA-OG1 3.37Å; K177-T180 PolarHBondContact O-N 3.49Å; K177-T180 PolarHBondContact O-OG1 3.3Å
178R41.2Very low53.5Low208 Ų20883 Ų8379%0.78547%0.473SS*.G310 helixtrans-64-18.9176.5-88.8-173.1-176.2167.53.5114.2A176A176-R178 VanDerWaalsContact C-N 3.35Å; A176-R178 PolarHBondContact O-N 2.68Å
179N35.1Very low55.9Low160 Ų16081.2 Ų81.286%0.85646%0.457SS*.G310 helixtrans-111.8-5-178.2-72.9-19.3000114.2K177K177-N179 PolarHBondContact O-N 2.93Å
180T39.7Very low58.3Low91 Ų9179.3 Ų79.356%0.55844%0.437SS*.SBendtrans-90.1126.8173.338.20000109K177 I182K177-T180 WeakPolarHBondContact CA-OG1 3.37Å; K177-T180 PolarHBondContact O-N 3.49Å; K177-T180 PolarHBondContact O-OG1 3.3Å; T180-I182 PolarHBondContact O-N 3.1Å
181V40.9Very low60.4Low132 Ų13277.7 Ų77.780%0.843%0.43SS*.  trans-29.5110.4173.4177.50000110.5G183V181-G183 PolarHBondContact O-N 2.85Å
182I52.9Low62.5Low97 Ų9774.7 Ų74.750%0.49742%0.415SS..  trans-45.6120.1167.2-61.4166.6000105.4T180 I230T180-I182 PolarHBondContact O-N 3.1Å; I182-I230 HydrophobicContact CB-CD1 3.86Å; I182-I230 HydrophobicContact CD1-CD1 3.52Å; I182-I230 HydrophobicContact CG1-CD1 4.28Å; I182-I230 HydrophobicContact CG2-CD1 3.59Å
183G57.8Low64.7Low50 Ų5071.1 Ų71.152%0.51539%0.391SS..  trans-49.9167.9-173.600000112.3V181 P185V181-G183 PolarHBondContact O-N 2.85Å; G183-P185 WeakPolarHBondContact O-CD 3.41Å
184T70.8Confident66.7Low87 Ų8771.7 Ų71.753%0.53439%0.391SS..  trans-57.8103.1-172.1-48.40000112F186 W187T184-F186 HydrophobicContact CG2-CD2 3.16Å; T184-F186 HydrophobicContact CG2-CE2 3.26Å; T184-F186 HydrophobicContact CG2-CG 4.13Å; T184-F186 HydrophobicContact CG2-CZ 4.32Å; T184-F186 PolarHBondContact O-N 3.29Å; T184-F186 VanDerWaalsContact O-N 3.13Å; T184-W187 HydrophobicContact CG2-CE3 4.4Å; T184-W187 HydrophobicContact CG2-CZ3 3.64Å
185P87.3Confident68.5Low0 Ų073.9 Ų73.90%040%0.395CS..G310 helixtrans-82.4-1.4-159.133.6-36.9000113G183 W187 M188 P226 A229 I230 I233G183-P185 WeakPolarHBondContact O-CD 3.41Å; P185-W187 PolarHBondContact O-N 3.48Å; P185-W187 VanDerWaalsContact O-N 3.14Å; P185-M188 HydrophobicContact CB-SD 3.84Å; P185-M188 WeakPolarHBondContact O-CB 3.24Å; P185-M188 PolarHBondContact O-N 3.38Å; P185-P226 HydrophobicContact CG-CB 4.12Å; P185-A229 HydrophobicContact CG-CB 4.16Å; P185-I230 HydrophobicContact CB-CG1 3.84Å; P185-I230 HydrophobicContact CG-CG1 3.91Å; P185-I233 VanDerWaalsContact O-CD1 3.26Å; P185-I233 WeakPolarHBondContact O-CD1 3.24Å
186F94.5Very high69.8Low20 Ų2072.1 Ų72.19%0.08839%0.387CS..G310 helixtrans-64.1-25.5-166.2-50.6-50.6000113.6T184 I209 P219 Y221 I224 P226 A229T184-F186 HydrophobicContact CG2-CD2 3.16Å; T184-F186 HydrophobicContact CG2-CE2 3.26Å; T184-F186 HydrophobicContact CG2-CG 4.13Å; T184-F186 HydrophobicContact CG2-CZ 4.32Å; T184-F186 PolarHBondContact O-N 3.29Å; T184-F186 VanDerWaalsContact O-N 3.13Å; F186-I209 WeakPolarHBondContact O-CG2 3.28Å; F186-P219 HydrophobicContact CB-CB 4.15Å; F186-P219 HydrophobicContact CB-CG 3.9Å; F186-P219 HydrophobicContact CD2-CG 4.34Å; F186-P219 HydrophobicContact CG-CG 4.43Å; F186-Y221 VanDerWaalsContact CE1-O 3.32Å; F186-Y221 WeakPolarHBondContact CE1-O 3.35Å; F186-I224 WeakPolarHBondContact CZ-O 3.33Å; F186-P226 HydrophobicContact CZ-CG 4.16Å; F186-A229 HydrophobicContact CD1-CB 3.8Å; F186-A229 HydrophobicContact CE1-CB 3.61Å
187W95.6Very high70.7Confident33 Ų3370.4 Ų70.413%0.12538%0.378CS..G310 helixtrans-96.2-6175.1-61.5-99.9000113.5K148 T184 P185 S206 I209 E213 P219K148-W187 HydrophobicContact CB-CD2 3.97Å; K148-W187 HydrophobicContact CB-CG 4.13Å; K148-W187 HydrophobicContact CB-CZ2 4.1Å; T184-W187 HydrophobicContact CG2-CE3 4.4Å; T184-W187 HydrophobicContact CG2-CZ3 3.64Å; P185-W187 PolarHBondContact O-N 3.48Å; P185-W187 VanDerWaalsContact O-N 3.14Å; W187-S206 WeakPolarHBondContact O-CA 3.42Å; W187-S206 WeakPolarHBondContact O-CB 3.37Å; W187-S206 PolarHBondContact O-OG 3.39Å; W187-I209 HydrophobicContact CB-CG2 4.45Å; W187-I209 VanDerWaalsContact CD1-CG2 3.48Å; W187-I209 HydrophobicContact CG-CB 4.45Å; W187-I209 HydrophobicContact CG-CG2 3.91Å; W187-E213 WeakPolarHBondContact CZ2-OE1 3.32Å; W187-E213 PolarHBondContact NE1-OE2 3.14Å; W187-P219 HydrophobicContact CH2-CG 3.74Å; W187-P219 HydrophobicContact CZ2-CB 4.05Å; W187-P219 HydrophobicContact CZ2-CG 3.52Å; W187-P219 HydrophobicContact CZ3-CG 4.36Å
188M92.6Very high72Confident44 Ų4470.5 Ų70.522%0.21738%0.377CS..  trans-72.3137.7-176-64.7175.870.800111.2P185 V192 I193 W205P185-M188 HydrophobicContact CB-SD 3.84Å; P185-M188 WeakPolarHBondContact O-CB 3.24Å; P185-M188 PolarHBondContact O-N 3.38Å; M188-V192 HydrophobicContact CE-CB 4.37Å; M188-V192 HydrophobicContact CE-CG1 3.57Å; M188-I193 HydrophobicContact CB-CD1 4.09Å; M188-I193 HydrophobicContact CB-CG1 3.89Å; M188-I193 HydrophobicContact CE-CG1 4.05Å; M188-I193 HydrophobicContact SD-CG1 4.39Å; M188-W205 PolarHBondContact O-NE1 3.08Å; M188-W205 VanDerWaalsContact O-NE1 3.08Å
189A93.1Very high73.7Confident1 Ų163.8 Ų63.81%0.00836%0.356CS..  trans-71.5151.1174.400000111.4E191 V192 I193 A202 W205A189-E191 VanDerWaalsContact C-N 3.28Å; A189-E191 VanDerWaalsContact CB-CD 3.46Å; A189-E191 VanDerWaalsContact CB-OE1 3.26Å; A189-E191 WeakPolarHBondContact CB-OE1 3.47Å; A189-E191 WeakPolarHBondContact CB-OE2 3.3Å; A189-E191 PolarHBondContact O-N 2.86Å; A189-V192 HydrophobicContact CB-CG2 3.94Å; A189-V192 WeakPolarHBondContact O-CB 3.25Å; A189-V192 PolarHBondContact O-N 3.43Å; A189-I193 PolarHBondContact O-N 3.01Å; A189-A202 HydrophobicContact CB-CB 4.32Å; A189-W205 VanDerWaalsContact CA-CD1 3.42Å; A189-W205 HydrophobicContact CB-CB 3.68Å; A189-W205 HydrophobicContact CB-CD2 4.36Å; A189-W205 HydrophobicContact CB-CG 3.71Å
190P93.3Very high76.2Confident4 Ų458.4 Ų58.43%0.02633%0.331CS..Hα-helixtrans-52.5-43.7179.6-29.336.5000113.6V192 I193 Q194 W205 I233 P234 K261P190-V192 VanDerWaalsContact C-N 3.3Å; P190-V192 PolarHBondContact O-N 3.08Å; P190-I193 PolarHBondContact O-N 2.86Å; P190-Q194 WeakPolarHBondContact O-CG 3.31Å; P190-Q194 PolarHBondContact O-N 3.24Å; P190-W205 HydrophobicContact CG-CE3 4.35Å; P190-W205 HydrophobicContact CG-CH2 3.75Å; P190-W205 HydrophobicContact CG-CZ2 3.95Å; P190-W205 HydrophobicContact CG-CZ3 3.97Å; P190-I233 HydrophobicContact CG-CG2 4.13Å; P190-P234 HydrophobicContact CB-CB 4.39Å; P190-K261 HydrophobicContact CG-CB 4.47Å; P190-K261 HydrophobicContact CG-CG 4.31Å
191E90.8Very high78.8Confident11 Ų1154.5 Ų54.55%0.05131%0.307CS..Hα-helixtrans-67.9-28.9-178.969.2-80-172.300113.3A189 E195 I196 P263 R266A189-E191 VanDerWaalsContact C-N 3.28Å; A189-E191 VanDerWaalsContact CB-CD 3.46Å; A189-E191 VanDerWaalsContact CB-OE1 3.26Å; A189-E191 WeakPolarHBondContact CB-OE1 3.47Å; A189-E191 WeakPolarHBondContact CB-OE2 3.3Å; A189-E191 PolarHBondContact O-N 2.86Å; E191-E195 PolarHBondContact O-N 2.78Å; E191-I196 PolarHBondContact O-N 3.36Å; E191-P263 HydrophobicContact CB-CG 4.43Å; E191-P263 HydrophobicContact CG-CB 4.39Å; E191-P263 HydrophobicContact CG-CG 4.26Å; E191-R266 IonicContact OE1-CZ 2.67Å; E191-R266 IonicContact OE1-NH1 2.85Å; E191-R266 PolarHBondContact OE1-NH1 3.34Å; E191-R266 IonicContact OE1-NH2 2.72Å; E191-R266 PolarHBondContact OE1-NH2 3.17Å; E191-R266 IonicContact OE2-CZ 3.92Å; E191-R266 IonicContact OE2-NH1 2.71Å; E191-R266 IonicContact OE2-NH2 2.73Å; E191-R266 PolarHBondContact OE2-NH2 3.27Å
192V88.2Confident81.4Confident24 Ų2448.5 Ų48.515%0.14527%0.271CS..Hα-helixtrans-69.4-43175-177.70000109.7L171 M188 A189 P190 Q194 E195 A202L171-V192 HydrophobicContact CD1-CG1 4.28Å; M188-V192 HydrophobicContact CE-CB 4.37Å; M188-V192 HydrophobicContact CE-CG1 3.57Å; A189-V192 HydrophobicContact CB-CG2 3.94Å; A189-V192 WeakPolarHBondContact O-CB 3.25Å; A189-V192 PolarHBondContact O-N 3.43Å; P190-V192 VanDerWaalsContact C-N 3.3Å; P190-V192 PolarHBondContact O-N 3.08Å; V192-Q194 VanDerWaalsContact C-N 3.34Å; V192-E195 PolarHBondContact O-N 2.96Å; V192-A202 HydrophobicContact CG2-CB 3.77Å
193I86Confident83.4Confident30 Ų3043.9 Ų43.915%0.15425%0.247CC..Hα-helixtrans-66.1-37.8178-67.9170.8000111.5M188 A189 P190 E195 I230 I233 P234M188-I193 HydrophobicContact CB-CD1 4.09Å; M188-I193 HydrophobicContact CB-CG1 3.89Å; M188-I193 HydrophobicContact CE-CG1 4.05Å; M188-I193 HydrophobicContact SD-CG1 4.39Å; A189-I193 PolarHBondContact O-N 3.01Å; P190-I193 PolarHBondContact O-N 2.86Å; I193-E195 PolarHBondContact O-N 2.88Å; I193-I230 HydrophobicContact CG2-CG2 3.74Å; I193-I233 HydrophobicContact CD1-CB 3.72Å; I193-I233 HydrophobicContact CD1-CD1 3.76Å; I193-I233 HydrophobicContact CD1-CG1 4.36Å; I193-I233 HydrophobicContact CD1-CG2 3.65Å; I193-P234 HydrophobicContact CB-CG 4.11Å; I193-P234 HydrophobicContact CD1-CG 4.38Å; I193-P234 HydrophobicContact CG2-CG 3.75Å
194Q82.3Confident85.3Confident104 Ų10441.5 Ų41.549%0.48622%0.223SC..THydrogen-bonded Turntrans-80.9-0.3-178.6-66.3177.7-55.600113.5P190 V192 I196 P234P190-Q194 WeakPolarHBondContact O-CG 3.31Å; P190-Q194 PolarHBondContact O-N 3.24Å; V192-Q194 VanDerWaalsContact C-N 3.34Å; Q194-I196 HydrophobicContact CB-CD1 3.61Å; Q194-I196 HydrophobicContact CB-CG1 3.73Å; Q194-I196 HydrophobicContact CG-CD1 4.43Å; Q194-I196 WeakPolarHBondContact O-CG1 3.32Å; Q194-I196 PolarHBondContact O-N 3.19Å; Q194-I196 VanDerWaalsContact O-N 3.14Å; Q194-P234 HydrophobicContact CG-CB 3.97Å; Q194-P234 HydrophobicContact CG-CG 4.12Å
195E74.7Confident86.7Confident139 Ų13937.6 Ų37.665%0.6520%0.198SC*.THydrogen-bonded Turntrans56.524.6-177.9-58.2-177.8175.900114L171 E191 V192 I193 G197L171-E195 HydrophobicContact CD1-CG 4.4Å; E191-E195 PolarHBondContact O-N 2.78Å; V192-E195 PolarHBondContact O-N 2.96Å; I193-E195 PolarHBondContact O-N 2.88Å; E195-G197 PolarHBondContact O-N 2.71Å
196I63.1Low87.2Confident126 Ų12638 Ų3865%0.64620%0.201SC*.SBendtrans-77.615.7-178.4-56.8172.5000111.2E191 Q194E191-I196 PolarHBondContact O-N 3.36Å; Q194-I196 HydrophobicContact CB-CD1 3.61Å; Q194-I196 HydrophobicContact CB-CG1 3.73Å; Q194-I196 HydrophobicContact CG-CD1 4.43Å; Q194-I196 WeakPolarHBondContact O-CG1 3.32Å; Q194-I196 PolarHBondContact O-N 3.19Å; Q194-I196 VanDerWaalsContact O-N 3.14Å
197G61.6Low87.4Confident47 Ų4737 Ų3749%0.48520%0.197SC..  trans80.3150.9-16500000111.4E195E195-G197 PolarHBondContact O-N 2.71Å
198Y69.6Low87.5Confident72 Ų7235.4 Ų35.428%0.28219%0.191SC..  trans-127145.5177.560.9-86000109.9I143 R145I143-Y198 HydrophobicContact CD1-CD2 3.76Å; I143-Y198 HydrophobicContact CD1-CE2 3.83Å; I143-Y198 HydrophobicContact CG2-CD2 4.47Å; R145-Y198 HydrophobicContact CG-CE2 4.46Å; R145-Y198 PolarHBondContact NH1-OH 3.03Å; R145-Y198 PolarHBondContact NH2-OH 3.44Å
199N77.1Confident87.8Confident67 Ų6733.5 Ų33.536%0.35818%0.181SC..  trans-123.4-176.8179.162.110.7000109.5V201 A202N199-V201 PolarHBondContact O-N 3.46Å; N199-V201 VanDerWaalsContact O-N 3.17Å; N199-V201 WeakPolarHBondContact OD1-CG2 3.27Å; N199-V201 PolarHBondContact OD1-N 3.21Å; N199-A202 VanDerWaalsContact O-CB 3.3Å; N199-A202 WeakPolarHBondContact O-CB 3.36Å; N199-A202 PolarHBondContact O-N 3.32Å; N199-A202 VanDerWaalsContact O-N 3.12Å
200C88.3Confident88.1Confident48 Ų4833.4 Ų33.432%0.32418%0.181SC..THydrogen-bonded Turntrans-58-27.9-179.150.60000114.2H138 A202 D203H138-C200 HydrophobicContact CB-CB 3.98Å; H138-C200 PolarHBondContact CE1-O 2.87Å; H138-C200 PolarHBondContact NE2-O 3.16Å; H138-C200 VanDerWaalsContact NE2-O 3.14Å; C200-A202 PolarHBondContact O-N 3.12Å; C200-D203 PolarHBondContact O-N 3.42Å
201V94.9Very high88.4Confident9 Ų933.2 Ų33.26%0.05518%0.179CC..THydrogen-bonded Turntrans-75.9-5.5-179.7-58.20000113.6N199 D203 I204 W205 P263 R266 T268N199-V201 PolarHBondContact O-N 3.46Å; N199-V201 VanDerWaalsContact O-N 3.17Å; N199-V201 WeakPolarHBondContact OD1-CG2 3.27Å; N199-V201 PolarHBondContact OD1-N 3.21Å; V201-D203 VanDerWaalsContact C-N 3.28Å; V201-D203 PolarHBondContact O-N 3.2Å; V201-I204 HydrophobicContact CB-CG1 4.39Å; V201-I204 WeakPolarHBondContact O-CB 3.49Å; V201-I204 PolarHBondContact O-N 3.44Å; V201-I204 VanDerWaalsContact O-N 3.15Å; V201-W205 PolarHBondContact O-N 3.04Å; V201-P263 HydrophobicContact CG2-CB 3.81Å; V201-P263 WeakPolarHBondContact CG2-O 3.34Å; V201-R266 HydrophobicContact CB-CB 4.46Å; V201-R266 HydrophobicContact CG2-CB 4.42Å; V201-R266 VanDerWaalsContact O-CD 3.28Å; V201-R266 WeakPolarHBondContact O-CD 3.44Å; V201-R266 PolarHBondContact O-NH1 2.71Å; V201-T268 HydrophobicContact CG1-CG2 4.3Å
202A94.3Very high88.8Confident5 Ų532.7 Ų32.74%0.04118%0.177CC..Hα-helixtrans-58-42.5166.100000111.3A189 V192 N199 C200 I204 W205 S206A189-A202 HydrophobicContact CB-CB 4.32Å; V192-A202 HydrophobicContact CG2-CB 3.77Å; N199-A202 VanDerWaalsContact O-CB 3.3Å; N199-A202 WeakPolarHBondContact O-CB 3.36Å; N199-A202 PolarHBondContact O-N 3.32Å; N199-A202 VanDerWaalsContact O-N 3.12Å; C200-A202 PolarHBondContact O-N 3.12Å; A202-I204 PolarHBondContact O-N 3.1Å; A202-W205 WeakPolarHBondContact O-CB 3.1Å; A202-W205 PolarHBondContact O-N 2.88Å; A202-W205 VanDerWaalsContact O-N 3.14Å; A202-S206 PolarHBondContact O-N 2.97Å; A202-S206 PolarHBondContact O-OG 2.68Å
203D95.8Very high89.3Confident1 Ų132.1 Ų32.11%0.00517%0.173CC..Hα-helixtrans-61.6-28.1176.5-66.7-28.7000112.2L134 H138 H144 R145 I147 C200 V201 S206 L207L134-D203 HydrophobicContact CD1-CB 4.4Å; L134-D203 HydrophobicContact CD2-CB 3.79Å; H138-D203 IonicContact CD2-OD2 4Å; H138-D203 IonicContact CE1-OD2 2.77Å; H138-D203 IonicContact NE2-OD2 3.77Å; H138-D203 PolarHBondContact NE2-OD2 2.93Å; H144-D203 PolarHBondContact N-OD1 3.33Å; H144-D203 PolarHBondContact N-OD2 3.29Å; R145-D203 PolarHBondContact N-OD1 3.36Å; I147-D203 HydrophobicContact CG1-CB 4.17Å; C200-D203 PolarHBondContact O-N 3.42Å; V201-D203 VanDerWaalsContact C-N 3.28Å; V201-D203 PolarHBondContact O-N 3.2Å; D203-S206 PolarHBondContact O-N 2.81Å; D203-L207 WeakPolarHBondContact O-CB 3.33Å; D203-L207 PolarHBondContact O-N 3.1Å
204I98.6Very high89.9Confident0 Ų030.7 Ų30.70%017%0.165CC..Hα-helixtrans-72.8-36.1179-57.5-58.8000111.6L131 L134 V201 A202 L207 G208 C258 R266 A267 A269 L272L131-I204 HydrophobicContact CD2-CD1 4.43Å; L134-I204 HydrophobicContact CD1-CD1 4.2Å; V201-I204 HydrophobicContact CB-CG1 4.39Å; V201-I204 WeakPolarHBondContact O-CB 3.49Å; V201-I204 PolarHBondContact O-N 3.44Å; V201-I204 VanDerWaalsContact O-N 3.15Å; A202-I204 PolarHBondContact O-N 3.1Å; I204-L207 WeakPolarHBondContact O-CB 3.36Å; I204-L207 PolarHBondContact O-N 3.37Å; I204-G208 PolarHBondContact O-N 3.33Å; I204-C258 HydrophobicContact CG2-CB 4.25Å; I204-R266 HydrophobicContact CG2-CG 4.21Å; I204-A267 WeakPolarHBondContact CG2-O 3.5Å; I204-A269 HydrophobicContact CD1-CB 4.01Å; I204-L272 HydrophobicContact CD1-CD1 4.29Å; I204-L272 HydrophobicContact CG2-CD1 3.46Å; I204-L272 VanDerWaalsContact CG2-CD1 3.46Å
205W98.4Very high90.7Very high5 Ų525.9 Ų25.92%0.01914%0.143CC..Hα-helixtrans-62.7-49171174.8-81.1000110.4M188 A189 P190 V201 A202 L207 G208 I209 I233 L259 K261M188-W205 PolarHBondContact O-NE1 3.08Å; M188-W205 VanDerWaalsContact O-NE1 3.08Å; A189-W205 VanDerWaalsContact CA-CD1 3.42Å; A189-W205 HydrophobicContact CB-CB 3.68Å; A189-W205 HydrophobicContact CB-CD2 4.36Å; A189-W205 HydrophobicContact CB-CG 3.71Å; P190-W205 HydrophobicContact CG-CE3 4.35Å; P190-W205 HydrophobicContact CG-CH2 3.75Å; P190-W205 HydrophobicContact CG-CZ2 3.95Å; P190-W205 HydrophobicContact CG-CZ3 3.97Å; V201-W205 PolarHBondContact O-N 3.04Å; A202-W205 WeakPolarHBondContact O-CB 3.1Å; A202-W205 PolarHBondContact O-N 2.88Å; A202-W205 VanDerWaalsContact O-N 3.14Å; W205-L207 VanDerWaalsContact C-N 3.27Å; W205-L207 PolarHBondContact O-N 3.22Å; W205-G208 WeakPolarHBondContact O-CA 3.32Å; W205-G208 PolarHBondContact O-N 2.99Å; W205-I209 PolarHBondContact O-N 2.8Å; W205-I233 HydrophobicContact CZ2-CG2 4.17Å; W205-L259 HydrophobicContact CD2-CD2 3.85Å; W205-L259 HydrophobicContact CE3-CB 4.37Å; W205-L259 HydrophobicContact CE3-CD2 4.07Å; W205-L259 HydrophobicContact CG-CD2 4.21Å; W205-L259 HydrophobicContact CZ2-CD2 4.43Å; W205-L259 HydrophobicContact CZ3-CB 4.18Å; W205-L259 HydrophobicContact CZ3-CD2 4.44Å; W205-L259 WeakPolarHBondContact O-CD2 3.43Å; W205-K261 HydrophobicContact CH2-CG 4.1Å; W205-K261 HydrophobicContact CZ3-CG 3.97Å
206S97.9Very high91.8Very high7 Ų720.8 Ų20.85%0.04912%0.12CC..Hα-helixtrans-56.5-42.2177.1-560000111.4W187 A202 D203 G208 I209 T210W187-S206 WeakPolarHBondContact O-CA 3.42Å; W187-S206 WeakPolarHBondContact O-CB 3.37Å; W187-S206 PolarHBondContact O-OG 3.39Å; A202-S206 PolarHBondContact O-N 2.97Å; A202-S206 PolarHBondContact O-OG 2.68Å; D203-S206 PolarHBondContact O-N 2.81Å; S206-G208 VanDerWaalsContact C-N 3.34Å; S206-G208 PolarHBondContact O-N 3.23Å; S206-I209 CarbonylContact O-C 3.6Å; S206-I209 WeakPolarHBondContact O-CB 3.49Å; S206-I209 PolarHBondContact O-N 2.73Å; S206-I209 VanDerWaalsContact O-N 3.13Å; S206-T210 PolarHBondContact O-N 3.34Å; S206-T210 PolarHBondContact O-OG1 3.14Å
207L98.8Very high93.4Very high0 Ų016.6 Ų16.60%011%0.107CC..Hα-helixtrans-59.5-40173.4-170.974.3000112.9L127 T130 L131 L134 I147 D203 I204 W205 T210 S211 F254L127-L207 HydrophobicContact CD2-CD1 3.48Å; L127-L207 VanDerWaalsContact CD2-CD1 3.48Å; L127-L207 HydrophobicContact CD2-CD2 4.49Å; L127-L207 HydrophobicContact CD2-CG 3.91Å; T130-L207 HydrophobicContact CG2-CD1 3.52Å; L131-L207 HydrophobicContact CD2-CD2 3.44Å; L131-L207 VanDerWaalsContact CD2-CD2 3.44Å; L131-L207 HydrophobicContact CG-CD2 3.76Å; L134-L207 HydrophobicContact CD1-CB 4.41Å; L134-L207 HydrophobicContact CD1-CD1 4.26Å; L134-L207 HydrophobicContact CD1-CD2 4.14Å; I147-L207 HydrophobicContact CG2-CB 4.39Å; I147-L207 HydrophobicContact CG2-CD1 4.35Å; D203-L207 WeakPolarHBondContact O-CB 3.33Å; D203-L207 PolarHBondContact O-N 3.1Å; I204-L207 WeakPolarHBondContact O-CB 3.36Å; I204-L207 PolarHBondContact O-N 3.37Å; W205-L207 VanDerWaalsContact C-N 3.27Å; W205-L207 PolarHBondContact O-N 3.22Å; L207-T210 PolarHBondContact O-N 2.95Å; L207-S211 PolarHBondContact O-N 3.1Å; L207-S211 PolarHBondContact O-OG 3.32Å; L207-F254 HydrophobicContact CD2-CZ 4.34Å
208G98.9Very high95.1Very high0 Ų017.5 Ų17.50%010%0.098CC..Hα-helixtrans-61.6-42.6173.700000112.2I204 W205 S206 S211 I212I204-G208 PolarHBondContact O-N 3.33Å; W205-G208 WeakPolarHBondContact O-CA 3.32Å; W205-G208 PolarHBondContact O-N 2.99Å; S206-G208 VanDerWaalsContact C-N 3.34Å; S206-G208 PolarHBondContact O-N 3.23Å; G208-S211 WeakPolarHBondContact O-CB 3.44Å; G208-S211 PolarHBondContact O-N 3.47Å; G208-I212 PolarHBondContact O-N 3.23Å
209I98.8Very high96.4Very high3 Ų314.4 Ų14.42%0.0159%0.086CC..Hα-helixtrans-65.4-43.9174.2-61.2-59000111.3F186 W187 W205 S206 S211 I212 E213 P219 P220 P239 L259F186-I209 WeakPolarHBondContact O-CG2 3.28Å; W187-I209 HydrophobicContact CB-CG2 4.45Å; W187-I209 VanDerWaalsContact CD1-CG2 3.48Å; W187-I209 HydrophobicContact CG-CB 4.45Å; W187-I209 HydrophobicContact CG-CG2 3.91Å; W205-I209 PolarHBondContact O-N 2.8Å; S206-I209 CarbonylContact O-C 3.6Å; S206-I209 WeakPolarHBondContact O-CB 3.49Å; S206-I209 PolarHBondContact O-N 2.73Å; S206-I209 VanDerWaalsContact O-N 3.13Å; I209-S211 PolarHBondContact O-N 3.43Å; I209-I212 WeakPolarHBondContact O-CB 3.26Å; I209-I212 PolarHBondContact O-N 3.29Å; I209-I212 VanDerWaalsContact O-N 3.13Å; I209-E213 PolarHBondContact O-N 3.34Å; I209-P219 HydrophobicContact CG2-CB 3.61Å; I209-P220 HydrophobicContact CD1-CG 4.15Å; I209-P239 HydrophobicContact CD1-CG 3.75Å; I209-L259 HydrophobicContact CD1-CD1 4.26Å; I209-L259 HydrophobicContact CD1-CD2 3.76Å; I209-L259 HydrophobicContact CG1-CD2 3.97Å
210T98.8Very high97.4Very high0 Ų011.9 Ų11.90%07%0.074CC..Hα-helixtrans-61-33.5176-53.30000111.9K148 A149 I152 S206 L207 I212 E213 M214K148-T210 WeakPolarHBondContact CA-OG1 3.41Å; A149-T210 HydrophobicContact CB-CG2 4.13Å; I152-T210 HydrophobicContact CD1-CG2 3.88Å; S206-T210 PolarHBondContact O-N 3.34Å; S206-T210 PolarHBondContact O-OG1 3.14Å; L207-T210 PolarHBondContact O-N 2.95Å; T210-I212 VanDerWaalsContact C-N 3.35Å; T210-E213 WeakPolarHBondContact O-CB 3.14Å; T210-E213 PolarHBondContact O-N 3.5Å; T210-M214 HydrophobicContact CG2-CE 3.91Å; T210-M214 WeakPolarHBondContact O-CG 3.44Å; T210-M214 PolarHBondContact O-N 3.08Å
211S98.9Very high97.8Very high0 Ų012 Ų120%07%0.068CC..Hα-helixtrans-63.5-41.8175.4-55.70000111.5L127 L207 G208 I209 A215L127-S211 WeakPolarHBondContact CD1-OG 3.4Å; L207-S211 PolarHBondContact O-N 3.1Å; L207-S211 PolarHBondContact O-OG 3.32Å; G208-S211 WeakPolarHBondContact O-CB 3.44Å; G208-S211 PolarHBondContact O-N 3.47Å; I209-S211 PolarHBondContact O-N 3.43Å; S211-A215 WeakPolarHBondContact O-CB 3.49Å; S211-A215 PolarHBondContact O-N 3.37Å
212I98.9Very high97.7Very high0 Ų013.1 Ų13.10%08%0.078CC..Hα-helixtrans-67.3-41.5173.1-61.3172.5000110.6G208 I209 T210 M214 A215 E216 P220 F241 V255 L259G208-I212 PolarHBondContact O-N 3.23Å; I209-I212 WeakPolarHBondContact O-CB 3.26Å; I209-I212 PolarHBondContact O-N 3.29Å; I209-I212 VanDerWaalsContact O-N 3.13Å; T210-I212 VanDerWaalsContact C-N 3.35Å; I212-M214 VanDerWaalsContact C-N 3.34Å; I212-M214 PolarHBondContact O-N 3Å; I212-A215 PolarHBondContact O-N 3.09Å; I212-E216 HydrophobicContact CG2-CG 4.14Å; I212-E216 WeakPolarHBondContact O-CB 3.36Å; I212-E216 PolarHBondContact O-N 3.4Å; I212-P220 HydrophobicContact CD1-CG 3.94Å; I212-P220 HydrophobicContact CG2-CG 4.12Å; I212-F241 HydrophobicContact CG1-CD1 4.27Å; I212-F241 HydrophobicContact CG1-CE1 4.02Å; I212-F241 HydrophobicContact CG2-CD1 4.45Å; I212-V255 HydrophobicContact CD1-CG1 3.97Å; I212-V255 HydrophobicContact CG1-CG1 4.03Å; I212-L259 HydrophobicContact CD1-CD1 3.89Å
213E98.8Very high97.6Very high12 Ų1219 Ų196%0.05611%0.108CC..Hα-helixtrans-57.5-44.1176.5178.8-170.8-170.400112.1A149 W187 I209 T210 A215 G217 K218A149-E213 HydrophobicContact CB-CG 4.11Å; A149-E213 WeakPolarHBondContact CB-OE1 3.31Å; A149-E213 WeakPolarHBondContact CB-OE2 3.05Å; A149-E213 PolarHBondContact N-OE2 3.07Å; W187-E213 WeakPolarHBondContact CZ2-OE1 3.32Å; W187-E213 PolarHBondContact NE1-OE2 3.14Å; I209-E213 PolarHBondContact O-N 3.34Å; T210-E213 WeakPolarHBondContact O-CB 3.14Å; T210-E213 PolarHBondContact O-N 3.5Å; E213-A215 VanDerWaalsContact C-N 3.32Å; E213-A215 PolarHBondContact O-N 2.96Å; E213-G217 CarbonylContact O-C 3.41Å; E213-G217 WeakPolarHBondContact O-CA 3.29Å; E213-G217 PolarHBondContact O-N 3.34Å; E213-K218 PolarHBondContact O-N 2.9Å
214M98.8Very high97.4Very high0 Ų020.9 Ų20.90%012%0.118CC..Hα-helixtrans-65.4-36177.3-72.2-175.4-84.500112.8V107 I111 L118 I123 I126 L127 A149 T210 I212V107-M214 HydrophobicContact CG1-CG 3.74Å; V107-M214 HydrophobicContact CG1-SD 3.82Å; I111-M214 HydrophobicContact CD1-CG 4.47Å; L118-M214 HydrophobicContact CD1-CB 4.26Å; L118-M214 HydrophobicContact CD1-CG 4.29Å; L118-M214 HydrophobicContact CD1-SD 4.21Å; L118-M214 PolarHBondContact N-O 3.46Å; I123-M214 HydrophobicContact CD1-CB 4.02Å; I123-M214 HydrophobicContact CG1-CB 3.9Å; I123-M214 HydrophobicContact CG2-CE 4.29Å; I126-M214 HydrophobicContact CG2-SD 4.16Å; L127-M214 HydrophobicContact CD1-CE 4.32Å; L127-M214 HydrophobicContact CD2-CE 3.45Å; L127-M214 VanDerWaalsContact CD2-CE 3.45Å; L127-M214 HydrophobicContact CG-CE 3.77Å; A149-M214 HydrophobicContact CB-CG 4.46Å; T210-M214 HydrophobicContact CG2-CE 3.91Å; T210-M214 WeakPolarHBondContact O-CG 3.44Å; T210-M214 PolarHBondContact O-N 3.08Å; I212-M214 VanDerWaalsContact C-N 3.34Å; I212-M214 PolarHBondContact O-N 3Å
215A98.8Very high97Very high3 Ų326.4 Ų26.43%0.02514%0.144CC..Hα-helixtrans-76.5-38.1-178.800000113T117 I123 S211 I212 E213 F241 W247 F251T117-A215 VanDerWaalsContact CB-O 3.27Å; T117-A215 WeakPolarHBondContact CB-O 3.21Å; T117-A215 WeakPolarHBondContact CG2-O 3.39Å; T117-A215 PolarHBondContact OG1-O 3.45Å; I123-A215 HydrophobicContact CD1-CB 3.93Å; S211-A215 WeakPolarHBondContact O-CB 3.49Å; S211-A215 PolarHBondContact O-N 3.37Å; I212-A215 PolarHBondContact O-N 3.09Å; E213-A215 VanDerWaalsContact C-N 3.32Å; E213-A215 PolarHBondContact O-N 2.96Å; A215-F241 HydrophobicContact CB-CD1 4.45Å; A215-F241 HydrophobicContact CB-CE1 3.87Å; A215-W247 HydrophobicContact CB-CH2 3.51Å; A215-W247 HydrophobicContact CB-CZ2 3.62Å; A215-W247 HydrophobicContact CB-CZ3 4.08Å; A215-F251 HydrophobicContact CB-CE1 4.04Å; A215-F251 HydrophobicContact CB-CZ 4.24Å
216E98.4Very high96.5Very high32 Ų3228.1 Ų28.115%0.1516%0.155CC..Hα-helixtrans-115.10.4-171.2-57.3-167163.900114.4I212 K218 F241 R242I212-E216 HydrophobicContact CG2-CG 4.14Å; I212-E216 WeakPolarHBondContact O-CB 3.36Å; I212-E216 PolarHBondContact O-N 3.4Å; E216-K218 PolarHBondContact O-N 2.79Å; E216-F241 HydrophobicContact CG-CD1 4.46Å; E216-F241 VanDerWaalsContact OE1-CA 3.26Å; E216-F241 WeakPolarHBondContact OE1-CA 3.48Å; E216-R242 PolarHBondContact OE1-N 3.33Å; E216-R242 WeakPolarHBondContact OE2-CD 3.38Å; E216-R242 WeakPolarHBondContact OE2-CG 3.4Å; E216-R242 IonicContact OE2-CZ 3.63Å; E216-R242 VanDerWaalsContact OE2-CZ 3.23Å; E216-R242 IonicContact OE2-NE 2.69Å; E216-R242 PolarHBondContact OE2-NE 3.11Å; E216-R242 IonicContact OE2-NH1 2.72Å; E216-R242 IonicContact OE2-NH2 2.83Å
217G97.4Very high95.9Very high37 Ų3733.6 Ų33.638%0.38118%0.181SC..SBendtrans78.7-9.2178.700000115.2E213E213-G217 CarbonylContact O-C 3.41Å; E213-G217 WeakPolarHBondContact O-CA 3.29Å; E213-G217 PolarHBondContact O-N 3.34Å
218K96.9Very high95.5Very high66 Ų6641.2 Ų41.229%0.28721%0.21SC..SBendtrans-156.4149.5178.163.6-174.8-179.6174.90111.1E213 E216 A222 D223 R242E213-K218 PolarHBondContact O-N 2.9Å; E216-K218 PolarHBondContact O-N 2.79Å; K218-A222 HydrophobicContact CB-CB 3.96Å; K218-A222 HydrophobicContact CD-CB 4.08Å; K218-A222 HydrophobicContact CG-CB 4.17Å; K218-D223 WeakPolarHBondContact CE-OD2 3.39Å; K218-D223 IonicContact NZ-OD1 3.98Å; K218-D223 PolarHBondContact NZ-OD1 3.18Å; K218-D223 IonicContact NZ-OD2 2.76Å; K218-D223 PolarHBondContact NZ-OD2 3.46Å; K218-R242 VanDerWaalsContact CE-NH2 3.32Å; K218-R242 VanDerWaalsContact CG-NH2 3.34Å
219P97.7Very high95.1Very high7 Ų741.2 Ų41.25%0.04521%0.21CC..  trans-67.1165.1179.431.6-38.6000111.8F186 W187 I209 A222F186-P219 HydrophobicContact CB-CB 4.15Å; F186-P219 HydrophobicContact CB-CG 3.9Å; F186-P219 HydrophobicContact CD2-CG 4.34Å; F186-P219 HydrophobicContact CG-CG 4.43Å; W187-P219 HydrophobicContact CH2-CG 3.74Å; W187-P219 HydrophobicContact CZ2-CB 4.05Å; W187-P219 HydrophobicContact CZ2-CG 3.52Å; W187-P219 HydrophobicContact CZ3-CG 4.36Å; I209-P219 HydrophobicContact CG2-CB 3.61Å; P219-A222 HydrophobicContact CG-CB 4.02Å; P219-A222 WeakPolarHBondContact O-CB 3.43Å; P219-A222 PolarHBondContact O-N 2.91Å
220P97.7Very high94.7Very high14 Ų1442.4 Ų42.49%0.09122%0.217CC..THydrogen-bonded Turntrans-53.7143.3166.4-23.235.6000110.9I209 I212 A222 P239I209-P220 HydrophobicContact CD1-CG 4.15Å; I212-P220 HydrophobicContact CD1-CG 3.94Å; I212-P220 HydrophobicContact CG2-CG 4.12Å; P220-A222 PolarHBondContact O-N 2.92Å; P220-P239 HydrophobicContact CB-CB 3.74Å; P220-P239 HydrophobicContact CB-CG 4.11Å; P220-P239 HydrophobicContact CG-CB 3.66Å; P220-P239 HydrophobicContact CG-CG 3.83Å
221Y95.8Very high94.3Very high52 Ų5249.9 Ų49.920%0.20425%0.249CC..THydrogen-bonded Turntrans64.510.5179.5-44.4-48.4000116.3F186 D223 I224 M232 I233 N236F186-Y221 VanDerWaalsContact CE1-O 3.32Å; F186-Y221 WeakPolarHBondContact CE1-O 3.35Å; Y221-D223 PolarHBondContact O-N 3.25Å; Y221-D223 VanDerWaalsContact O-N 3.11Å; Y221-I224 HydrophobicContact CD1-CD1 3.63Å; Y221-I224 HydrophobicContact CG-CD1 4.2Å; Y221-I224 WeakPolarHBondContact O-CA 3.46Å; Y221-I224 WeakPolarHBondContact O-CB 3.49Å; Y221-I224 PolarHBondContact O-N 3.31Å; Y221-M232 HydrophobicContact CD1-CE 3.79Å; Y221-M232 HydrophobicContact CE1-CE 3.46Å; Y221-M232 VanDerWaalsContact CE1-CE 3.46Å; Y221-I233 HydrophobicContact CD2-CG1 4.17Å; Y221-I233 HydrophobicContact CE2-CG1 4.2Å; Y221-N236 PolarHBondContact OH-ND2 3.44Å
222A93.9Very high94Very high32 Ų3251.3 Ų51.326%0.26426%0.256SS..THydrogen-bonded Turntrans-54.3-31.9178.400000114.4K218 P219 P220 I224K218-A222 HydrophobicContact CB-CB 3.96Å; K218-A222 HydrophobicContact CD-CB 4.08Å; K218-A222 HydrophobicContact CG-CB 4.17Å; P219-A222 HydrophobicContact CG-CB 4.02Å; P219-A222 WeakPolarHBondContact O-CB 3.43Å; P219-A222 PolarHBondContact O-N 2.91Å; P220-A222 PolarHBondContact O-N 2.92Å; A222-I224 VanDerWaalsContact C-N 3.29Å
223D92.4Very high93.8Very high127 Ų12751.8 Ų51.868%0.67926%0.259SS*.THydrogen-bonded Turntrans-87.53178.7-46.3-48.3000113.1K218 Y221K218-D223 WeakPolarHBondContact CE-OD2 3.39Å; K218-D223 IonicContact NZ-OD1 3.98Å; K218-D223 PolarHBondContact NZ-OD1 3.18Å; K218-D223 IonicContact NZ-OD2 2.76Å; K218-D223 PolarHBondContact NZ-OD2 3.46Å; Y221-D223 PolarHBondContact O-N 3.25Å; Y221-D223 VanDerWaalsContact O-N 3.11Å
224I91.7Very high93.6Very high42 Ų4252.1 Ų52.122%0.21526%0.262CS..SBendtrans-100.9140.7-180-57.6-175.4000109F186 Y221 A222 R228 M232F186-I224 WeakPolarHBondContact CZ-O 3.33Å; Y221-I224 HydrophobicContact CD1-CD1 3.63Å; Y221-I224 HydrophobicContact CG-CD1 4.2Å; Y221-I224 WeakPolarHBondContact O-CA 3.46Å; Y221-I224 WeakPolarHBondContact O-CB 3.49Å; Y221-I224 PolarHBondContact O-N 3.31Å; A222-I224 VanDerWaalsContact C-N 3.29Å; I224-R228 HydrophobicContact CG2-CB 3.79Å; I224-R228 HydrophobicContact CG2-CG 3.8Å; I224-M232 HydrophobicContact CD1-CE 3.78Å; I224-M232 HydrophobicContact CD1-SD 3.92Å; I224-M232 HydrophobicContact CG2-SD 4.38Å
225H88.8Confident93.4Very high116 Ų11657 Ų5754%0.53729%0.292SS..  trans-53.4130.8175.3-169.8-75.5000111.4M227 R228 A229H225-M227 VanDerWaalsContact C-N 3.33Å; H225-M227 WeakPolarHBondContact CE1-CE 3.28Å; H225-M227 PolarHBondContact ND1-N 3.43Å; H225-M227 PolarHBondContact O-N 2.98Å; H225-M227 VanDerWaalsContact O-N 3.16Å; H225-R228 WeakPolarHBondContact O-CB 3.33Å; H225-R228 PolarHBondContact O-N 2.72Å; H225-A229 PolarHBondContact O-N 3.06Å
226P88Confident93.3Very high40 Ų4059.4 Ų59.426%0.2630%0.304SS..Hα-helixtrans-48.5-47-175.1-33.336.9000114.7P185 F186 R228 A229 I230P185-P226 HydrophobicContact CG-CB 4.12Å; F186-P226 HydrophobicContact CZ-CG 4.16Å; P226-R228 PolarHBondContact O-N 2.57Å; P226-A229 WeakPolarHBondContact O-CB 3.47Å; P226-A229 PolarHBondContact O-N 3.01Å; P226-I230 WeakPolarHBondContact O-CG1 3.45Å; P226-I230 PolarHBondContact O-N 3.33Å; P226-I230 VanDerWaalsContact O-N 3.09Å
227M85.8Confident93.3Very high122 Ų12262.7 Ų62.760%0.60133%0.328SS*.Hα-helixtrans-55.2-35.5176.4-71.1-166.7-85.800113.9H225 F231H225-M227 VanDerWaalsContact C-N 3.33Å; H225-M227 WeakPolarHBondContact CE1-CE 3.28Å; H225-M227 PolarHBondContact ND1-N 3.43Å; H225-M227 PolarHBondContact O-N 2.98Å; H225-M227 VanDerWaalsContact O-N 3.16Å; M227-F231 WeakPolarHBondContact O-CD2 3.31Å
228R90.3Very high93.3Very high161 Ų16163.4 Ų63.461%0.60833%0.326SS*.Hα-helixtrans-75-36.4177.5179.3174.5174.1-176.12.2111.3I224 H225 P226 I230 F231 M232I224-R228 HydrophobicContact CG2-CB 3.79Å; I224-R228 HydrophobicContact CG2-CG 3.8Å; H225-R228 WeakPolarHBondContact O-CB 3.33Å; H225-R228 PolarHBondContact O-N 2.72Å; P226-R228 PolarHBondContact O-N 2.57Å; R228-I230 VanDerWaalsContact C-N 3.29Å; R228-I230 PolarHBondContact O-N 3.28Å; R228-F231 PolarHBondContact O-N 2.81Å; R228-M232 HydrophobicContact CG-CG 4.38Å; R228-M232 HydrophobicContact CG-SD 3.77Å; R228-M232 WeakPolarHBondContact O-CG 3.31Å; R228-M232 PolarHBondContact O-N 3.47Å; R228-M232 VanDerWaalsContact O-N 3.14Å
229A91.3Very high93.4Very high0 Ų061.3 Ų61.30%032%0.32CS..Hα-helixtrans-62.2-36.7175.900000112.3P185 F186 H225 P226 F231 M232 I233P185-A229 HydrophobicContact CG-CB 4.16Å; F186-A229 HydrophobicContact CD1-CB 3.8Å; F186-A229 HydrophobicContact CE1-CB 3.61Å; H225-A229 PolarHBondContact O-N 3.06Å; P226-A229 WeakPolarHBondContact O-CB 3.47Å; P226-A229 PolarHBondContact O-N 3.01Å; A229-F231 VanDerWaalsContact C-N 3.25Å; A229-F231 PolarHBondContact O-N 2.96Å; A229-M232 PolarHBondContact O-N 3.16Å; A229-I233 HydrophobicContact CB-CD1 4.4Å; A229-I233 VanDerWaalsContact O-CG1 3.31Å; A229-I233 WeakPolarHBondContact O-CG1 3.21Å; A229-I233 PolarHBondContact O-N 3.34Å
230I89.4Confident93.4Very high28 Ų2865.8 Ų65.814%0.14435%0.347CS..Hα-helixtrans-53.9-40.8174.3-69.1172.7000111.9I182 P185 I193 P226 R228 P234I182-I230 HydrophobicContact CB-CD1 3.86Å; I182-I230 HydrophobicContact CD1-CD1 3.52Å; I182-I230 HydrophobicContact CG1-CD1 4.28Å; I182-I230 HydrophobicContact CG2-CD1 3.59Å; P185-I230 HydrophobicContact CB-CG1 3.84Å; P185-I230 HydrophobicContact CG-CG1 3.91Å; I193-I230 HydrophobicContact CG2-CG2 3.74Å; P226-I230 WeakPolarHBondContact O-CG1 3.45Å; P226-I230 PolarHBondContact O-N 3.33Å; P226-I230 VanDerWaalsContact O-N 3.09Å; R228-I230 VanDerWaalsContact C-N 3.29Å; R228-I230 PolarHBondContact O-N 3.28Å; I230-P234 WeakPolarHBondContact O-CD 3.43Å
231F89.8Confident93.4Very high157 Ų15765.5 Ų65.569%0.68934%0.344SS*.Hα-helixtrans-77.4-34176.3-68.8-75000112.9M227 R228 A229 T235M227-F231 WeakPolarHBondContact O-CD2 3.31Å; R228-F231 PolarHBondContact O-N 2.81Å; A229-F231 VanDerWaalsContact C-N 3.25Å; A229-F231 PolarHBondContact O-N 2.96Å; F231-T235 WeakPolarHBondContact O-CB 3.27Å; F231-T235 VanDerWaalsContact O-CG2 3.28Å; F231-T235 WeakPolarHBondContact O-CG2 3.4Å; F231-T235 PolarHBondContact O-OG1 3Å
232M93.8Very high93.5Very high29 Ų2969.5 Ų69.514%0.14336%0.359CS..Hα-helixtrans-74-40.1-175.8-71.1174.663.100112.8Y221 I224 R228 A229 T235 N236Y221-M232 HydrophobicContact CD1-CE 3.79Å; Y221-M232 HydrophobicContact CE1-CE 3.46Å; Y221-M232 VanDerWaalsContact CE1-CE 3.46Å; I224-M232 HydrophobicContact CD1-CE 3.78Å; I224-M232 HydrophobicContact CD1-SD 3.92Å; I224-M232 HydrophobicContact CG2-SD 4.38Å; R228-M232 HydrophobicContact CG-CG 4.38Å; R228-M232 HydrophobicContact CG-SD 3.77Å; R228-M232 WeakPolarHBondContact O-CG 3.31Å; R228-M232 PolarHBondContact O-N 3.47Å; R228-M232 VanDerWaalsContact O-N 3.14Å; A229-M232 PolarHBondContact O-N 3.16Å; M232-T235 WeakPolarHBondContact CA-OG1 3.25Å; M232-T235 PolarHBondContact O-N 3.46Å; M232-T235 PolarHBondContact O-OG1 2.92Å; M232-N236 WeakPolarHBondContact CE-ND2 3.27Å; M232-N236 VanDerWaalsContact O-CB 3.28Å; M232-N236 WeakPolarHBondContact O-CB 3.49Å; M232-N236 PolarHBondContact O-N 3.27Å
233I94.9Very high93.7Very high10 Ų1073.9 Ų73.95%0.05137%0.372CS..Hα-helixtrans-59.8-47.9-174.6-68.9160.9000112P185 P190 I193 W205 Y221 A229 T235P185-I233 VanDerWaalsContact O-CD1 3.26Å; P185-I233 WeakPolarHBondContact O-CD1 3.24Å; P190-I233 HydrophobicContact CG-CG2 4.13Å; I193-I233 HydrophobicContact CD1-CB 3.72Å; I193-I233 HydrophobicContact CD1-CD1 3.76Å; I193-I233 HydrophobicContact CD1-CG1 4.36Å; I193-I233 HydrophobicContact CD1-CG2 3.65Å; W205-I233 HydrophobicContact CZ2-CG2 4.17Å; Y221-I233 HydrophobicContact CD2-CG1 4.17Å; Y221-I233 HydrophobicContact CE2-CG1 4.2Å; A229-I233 HydrophobicContact CB-CD1 4.4Å; A229-I233 VanDerWaalsContact O-CG1 3.31Å; A229-I233 WeakPolarHBondContact O-CG1 3.21Å; A229-I233 PolarHBondContact O-N 3.34Å; I233-T235 VanDerWaalsContact C-N 3.34Å; I233-T235 PolarHBondContact O-N 3.27Å
234P93.6Very high93.9Very high20 Ų2070.8 Ų70.813%0.1336%0.359CS..Hα-helixtrans-76.2-17178.6-16.732.6000114.2P190 I193 Q194 I230 K261P190-P234 HydrophobicContact CB-CB 4.39Å; I193-P234 HydrophobicContact CB-CG 4.11Å; I193-P234 HydrophobicContact CD1-CG 4.38Å; I193-P234 HydrophobicContact CG2-CG 3.75Å; Q194-P234 HydrophobicContact CG-CB 3.97Å; Q194-P234 HydrophobicContact CG-CG 4.12Å; I230-P234 WeakPolarHBondContact O-CD 3.43Å; P234-K261 VanDerWaalsContact C-NZ 3.29Å; P234-K261 WeakPolarHBondContact O-CE 3.2Å; P234-K261 PolarHBondContact O-NZ 3.13Å
235T94.9Very high94.2Very high101 Ų10175.5 Ų75.562%0.6238%0.38SS*.Hα-helixtrans-99.6-47.2-174.354.20000113F231 M232 I233 K261F231-T235 WeakPolarHBondContact O-CB 3.27Å; F231-T235 VanDerWaalsContact O-CG2 3.28Å; F231-T235 WeakPolarHBondContact O-CG2 3.4Å; F231-T235 PolarHBondContact O-OG1 3Å; M232-T235 WeakPolarHBondContact CA-OG1 3.25Å; M232-T235 PolarHBondContact O-N 3.46Å; M232-T235 PolarHBondContact O-OG1 2.92Å; I233-T235 VanDerWaalsContact C-N 3.34Å; I233-T235 PolarHBondContact O-N 3.27Å; T235-K261 PolarHBondContact O-NZ 3.19Å
236N97.1Very high94.6Very high55 Ų5575.3 Ų75.329%0.29438%0.382SS..SBendtrans-67.9159.7-178.3-74-2.8000112.4Y221 M232 K261Y221-N236 PolarHBondContact OH-ND2 3.44Å; M232-N236 WeakPolarHBondContact CE-ND2 3.27Å; M232-N236 VanDerWaalsContact O-CB 3.28Å; M232-N236 WeakPolarHBondContact O-CB 3.49Å; M232-N236 PolarHBondContact O-N 3.27Å; N236-K261 PolarHBondContact O-NZ 3.16Å
237P97.8Very high95.1Very high100 Ų10075.4 Ų75.465%0.64938%0.377SS*.PPolyproline II helixtrans-59157.7165.527.2-35.2000111
238P98.2Very high95.7Very high53 Ų5371.7 Ų71.734%0.34436%0.363SS..PPolyproline II helixtrans-49.5137.4173.5-27.935.6000112.2L259 K261P238-L259 HydrophobicContact CB-CB 4.06Å; P238-L259 VanDerWaalsContact CB-O 3.24Å; P238-L259 WeakPolarHBondContact CB-O 3.26Å; P238-L259 WeakPolarHBondContact CG-O 3.4Å; P238-K261 HydrophobicContact CG-CD 4.3Å; P238-K261 HydrophobicContact CG-CG 3.98Å
239P97.9Very high96.1Very high22 Ų2271 Ų7114%0.14337%0.371CS..PPolyproline II helixtrans-66.8155.3176.127.7-30.9000110.9I209 P220 L259I209-P239 HydrophobicContact CD1-CG 3.75Å; P220-P239 HydrophobicContact CB-CB 3.74Å; P220-P239 HydrophobicContact CB-CG 4.11Å; P220-P239 HydrophobicContact CG-CB 3.66Å; P220-P239 HydrophobicContact CG-CG 3.83Å; P239-L259 HydrophobicContact CG-CD1 3.94Å; P239-L259 WeakPolarHBondContact O-CD1 3.36Å
240T97.9Very high96.5Very high101 Ų10174 Ų7462%0.6239%0.388SS*.  trans-132.6175.4174.156.60000108.6
241F98.3Very high96.9Very high8 Ų872.7 Ų72.74%0.03538%0.381CS..  trans-59.5145.6174.1-58.9-70.2000111.6I212 A215 E216 K243 P244 W247 F251 V255I212-F241 HydrophobicContact CG1-CD1 4.27Å; I212-F241 HydrophobicContact CG1-CE1 4.02Å; I212-F241 HydrophobicContact CG2-CD1 4.45Å; A215-F241 HydrophobicContact CB-CD1 4.45Å; A215-F241 HydrophobicContact CB-CE1 3.87Å; E216-F241 HydrophobicContact CG-CD1 4.46Å; E216-F241 VanDerWaalsContact OE1-CA 3.26Å; E216-F241 WeakPolarHBondContact OE1-CA 3.48Å; F241-K243 PolarHBondContact O-N 3.02Å; F241-P244 WeakPolarHBondContact O-CD 3.27Å; F241-P244 WeakPolarHBondContact O-CG 3.29Å; F241-W247 AromaticContact CD1-CD1 3.72Å; F241-W247 HydrophobicContact CD1-CD2 4.46Å; F241-W247 HydrophobicContact CD1-CG 4.27Å; F241-W247 AromaticContact CD1-NE1 3.52Å; F241-W247 HydrophobicContact CD2-CB 4.12Å; F241-W247 AromaticContact CD2-CD1 3.47Å; F241-W247 VanDerWaalsContact CD2-CD1 3.47Å; F241-W247 AromaticContact CD2-CG 3.86Å; F241-W247 HydrophobicContact CD2-CG 3.86Å; F241-W247 HydrophobicContact CE1-CD2 4.41Å; F241-W247 HydrophobicContact CE1-CG 4.39Å; F241-W247 HydrophobicContact CE2-CB 4.06Å; F241-W247 AromaticContact CE2-CG 3.99Å; F241-W247 HydrophobicContact CE2-CG 3.99Å; F241-W247 AromaticContact CG-CD1 3.28Å; F241-W247 HydrophobicContact CG-CG 4.01Å; F241-W247 AromaticContact CG-NE1 3.51Å; F241-W247 HydrophobicContact CZ-CG 4.26Å; F241-F251 HydrophobicContact CE1-CD1 4.45Å; F241-F251 AromaticContact CE1-CE1 3.84Å; F241-F251 HydrophobicContact CE1-CE1 3.84Å; F241-F251 HydrophobicContact CE1-CZ 4.09Å; F241-F251 HydrophobicContact CE2-CD1 4.23Å; F241-F251 HydrophobicContact CE2-CE1 4.41Å; F241-F251 AromaticContact CZ-CD1 3.67Å; F241-F251 HydrophobicContact CZ-CD1 3.67Å; F241-F251 HydrophobicContact CZ-CD2 4.36Å; F241-F251 AromaticContact CZ-CE1 3.43Å; F241-F251 HydrophobicContact CZ-CE1 3.43Å; F241-F251 VanDerWaalsContact CZ-CE1 3.43Å; F241-F251 HydrophobicContact CZ-CE2 4.16Å; F241-F251 HydrophobicContact CZ-CG 4.14Å; F241-F251 AromaticContact CZ-CZ 3.69Å; F241-F251 HydrophobicContact CZ-CZ 3.69Å; F241-V255 HydrophobicContact CE2-CG2 4.22Å; F241-V255 HydrophobicContact CZ-CG2 3.75Å
242R97.8Very high97.3Very high136 Ų13667.6 Ų67.651%0.51336%0.363SS..SBendtrans-64.2-31.2175.3-65.9175.4-168131.517.4112.3E216 K218E216-R242 PolarHBondContact OE1-N 3.33Å; E216-R242 WeakPolarHBondContact OE2-CD 3.38Å; E216-R242 WeakPolarHBondContact OE2-CG 3.4Å; E216-R242 IonicContact OE2-CZ 3.63Å; E216-R242 VanDerWaalsContact OE2-CZ 3.23Å; E216-R242 IonicContact OE2-NE 2.69Å; E216-R242 PolarHBondContact OE2-NE 3.11Å; E216-R242 IonicContact OE2-NH1 2.72Å; E216-R242 IonicContact OE2-NH2 2.83Å; K218-R242 VanDerWaalsContact CE-NH2 3.32Å; K218-R242 VanDerWaalsContact CG-NH2 3.34Å
243K97.4Very high97.6Very high124 Ų12468.7 Ų68.754%0.53937%0.369SS..SBendtrans-131.376.8178.9-68.4-175.2-177.6-179.60109.6F241 E245 L246 W247F241-K243 PolarHBondContact O-N 3.02Å; K243-E245 WeakPolarHBondContact CA-OE2 3.28Å; K243-E245 WeakPolarHBondContact CB-OE1 3.36Å; K243-E245 PolarHBondContact O-N 2.99Å; K243-E245 VanDerWaalsContact O-N 3.17Å; K243-L246 HydrophobicContact CB-CD1 3.79Å; K243-L246 HydrophobicContact CB-CG 4.04Å; K243-L246 HydrophobicContact CD-CD1 3.88Å; K243-L246 PolarHBondContact O-N 3.15Å; K243-W247 VanDerWaalsContact O-CD1 3.27Å; K243-W247 PolarHBondContact O-NE1 3.11Å
244P97.1Very high97.8Very high61 Ų6168.2 Ų68.240%0.39637%0.367SS..G310 helixtrans-56.9-28.4-175.6-24.935.2000113.9F241 L246 W247F241-P244 WeakPolarHBondContact O-CD 3.27Å; F241-P244 WeakPolarHBondContact O-CG 3.29Å; P244-L246 PolarHBondContact O-N 3.16Å; P244-L246 VanDerWaalsContact O-N 3.16Å; P244-W247 PolarHBondContact O-N 2.92Å; P244-W247 VanDerWaalsContact O-N 3.11Å
245E97.3Very high98Very high142 Ų14267.5 Ų67.566%0.66436%0.362SS*.G310 helixtrans-65.5-13.9-179.571.6-77.5-177.800114.8K243 W247K243-E245 WeakPolarHBondContact CA-OE2 3.28Å; K243-E245 WeakPolarHBondContact CB-OE1 3.36Å; K243-E245 PolarHBondContact O-N 2.99Å; K243-E245 VanDerWaalsContact O-N 3.17Å; E245-W247 VanDerWaalsContact C-N 3.34Å
246L98.1Very high98.2Very high112 Ų11269.7 Ų69.759%0.58636%0.363SS*.G310 helixtrans-84.5-11176.1-62.8179.6000113K243 P244K243-L246 HydrophobicContact CB-CD1 3.79Å; K243-L246 HydrophobicContact CB-CG 4.04Å; K243-L246 HydrophobicContact CD-CD1 3.88Å; K243-L246 PolarHBondContact O-N 3.15Å; P244-L246 PolarHBondContact O-N 3.16Å; P244-L246 VanDerWaalsContact O-N 3.16Å
247W98.4Very high98.3Very high42 Ų4271.1 Ų71.116%0.15937%0.367CS..SBendtrans-119.4144-168.4-52.5107.4000111.5E120 A215 F241 K243 P244 E245 F251E120-W247 HydrophobicContact CG-CE3 3.79Å; E120-W247 HydrophobicContact CG-CZ3 4.05Å; E120-W247 VanDerWaalsContact OE1-CA 3.3Å; E120-W247 WeakPolarHBondContact OE1-CA 3.38Å; A215-W247 HydrophobicContact CB-CH2 3.51Å; A215-W247 HydrophobicContact CB-CZ2 3.62Å; A215-W247 HydrophobicContact CB-CZ3 4.08Å; F241-W247 AromaticContact CD1-CD1 3.72Å; F241-W247 HydrophobicContact CD1-CD2 4.46Å; F241-W247 HydrophobicContact CD1-CG 4.27Å; F241-W247 AromaticContact CD1-NE1 3.52Å; F241-W247 HydrophobicContact CD2-CB 4.12Å; F241-W247 AromaticContact CD2-CD1 3.47Å; F241-W247 VanDerWaalsContact CD2-CD1 3.47Å; F241-W247 AromaticContact CD2-CG 3.86Å; F241-W247 HydrophobicContact CD2-CG 3.86Å; F241-W247 HydrophobicContact CE1-CD2 4.41Å; F241-W247 HydrophobicContact CE1-CG 4.39Å; F241-W247 HydrophobicContact CE2-CB 4.06Å; F241-W247 AromaticContact CE2-CG 3.99Å; F241-W247 HydrophobicContact CE2-CG 3.99Å; F241-W247 AromaticContact CG-CD1 3.28Å; F241-W247 HydrophobicContact CG-CG 4.01Å; F241-W247 AromaticContact CG-NE1 3.51Å; F241-W247 HydrophobicContact CZ-CG 4.26Å; K243-W247 VanDerWaalsContact O-CD1 3.27Å; K243-W247 PolarHBondContact O-NE1 3.11Å; P244-W247 PolarHBondContact O-N 2.92Å; P244-W247 VanDerWaalsContact O-N 3.11Å; E245-W247 VanDerWaalsContact C-N 3.34Å; W247-F251 HydrophobicContact CB-CD1 4.25Å; W247-F251 HydrophobicContact CD2-CD1 4.15Å; W247-F251 HydrophobicContact CD2-CE1 4.19Å; W247-F251 AromaticContact CE3-CD1 3.69Å; W247-F251 HydrophobicContact CE3-CD1 3.69Å; W247-F251 AromaticContact CE3-CE1 3.72Å; W247-F251 HydrophobicContact CE3-CE1 3.72Å; W247-F251 HydrophobicContact CG-CD1 4.4Å; W247-F251 HydrophobicContact CZ3-CD1 4.42Å; W247-F251 HydrophobicContact CZ3-CE1 4.07Å
248S98.8Very high98.3Very high43 Ų4366.4 Ų66.430%0.30134%0.336SS..  trans-65.1157.1179.274.40000112.3E120 D250 F251 T252E120-S248 PolarHBondContact OE1-N 2.99Å; E120-S248 VanDerWaalsContact OE2-CB 3.28Å; E120-S248 WeakPolarHBondContact OE2-CB 3.37Å; E120-S248 PolarHBondContact OE2-OG 3.28Å; S248-D250 PolarHBondContact O-N 3.24Å; S248-F251 PolarHBondContact O-N 3.01Å; S248-F251 WeakPolarHBondContact OG-CB 3.34Å; S248-F251 PolarHBondContact OG-N 3.23Å; S248-F251 VanDerWaalsContact OG-N 3.09Å; S248-T252 WeakPolarHBondContact O-CB 3.49Å; S248-T252 PolarHBondContact O-N 3.44Å; S248-T252 PolarHBondContact O-OG1 2.96Å
249D98.6Very high98.4Very high146 Ų14664 Ų6478%0.78132%0.32SS*.Hα-helixtrans-59.9-37.9173.7-68.2-33.2000111.4T252 D253D249-T252 PolarHBondContact O-N 2.96Å; D249-D253 WeakPolarHBondContact O-CB 3.48Å; D249-D253 PolarHBondContact O-N 3.39Å
250D98.8Very high98.4Very high65 Ų6564.6 Ų64.635%0.34832%0.323SS..Hα-helixtrans-64.3-44.1178-85-10.7000111.5S248 F254 H275 F277S248-D250 PolarHBondContact O-N 3.24Å; D250-F254 WeakPolarHBondContact O-CB 3.36Å; D250-F254 PolarHBondContact O-N 3.41Å; D250-H275 PolarHBondContact O-CE1 3.32Å; D250-F277 HydrophobicContact CB-CB 4.2Å; D250-F277 HydrophobicContact CB-CD2 4.41Å
251F98.9Very high98.3Very high0 Ų062.8 Ų62.80%031%0.307CS..Hα-helixtrans-69.7-41.1178.4-171.9-156.1000111.6E120 I123 A215 F241 W247 S248 F254 V255 F277E120-F251 HydrophobicContact CG-CB 4.48Å; E120-F251 HydrophobicContact CG-CD1 3.68Å; E120-F251 HydrophobicContact CG-CE1 4.24Å; E120-F251 HydrophobicContact CG-CG 4.34Å; E120-F251 WeakPolarHBondContact OE2-CB 3.45Å; I123-F251 HydrophobicContact CD1-CE1 4.09Å; I123-F251 HydrophobicContact CD1-CZ 3.93Å; I123-F251 HydrophobicContact CG2-CE2 3.92Å; I123-F251 HydrophobicContact CG2-CZ 3.82Å; A215-F251 HydrophobicContact CB-CE1 4.04Å; A215-F251 HydrophobicContact CB-CZ 4.24Å; F241-F251 HydrophobicContact CE1-CD1 4.45Å; F241-F251 AromaticContact CE1-CE1 3.84Å; F241-F251 HydrophobicContact CE1-CE1 3.84Å; F241-F251 HydrophobicContact CE1-CZ 4.09Å; F241-F251 HydrophobicContact CE2-CD1 4.23Å; F241-F251 HydrophobicContact CE2-CE1 4.41Å; F241-F251 AromaticContact CZ-CD1 3.67Å; F241-F251 HydrophobicContact CZ-CD1 3.67Å; F241-F251 HydrophobicContact CZ-CD2 4.36Å; F241-F251 AromaticContact CZ-CE1 3.43Å; F241-F251 HydrophobicContact CZ-CE1 3.43Å; F241-F251 VanDerWaalsContact CZ-CE1 3.43Å; F241-F251 HydrophobicContact CZ-CE2 4.16Å; F241-F251 HydrophobicContact CZ-CG 4.14Å; F241-F251 AromaticContact CZ-CZ 3.69Å; F241-F251 HydrophobicContact CZ-CZ 3.69Å; W247-F251 HydrophobicContact CB-CD1 4.25Å; W247-F251 HydrophobicContact CD2-CD1 4.15Å; W247-F251 HydrophobicContact CD2-CE1 4.19Å; W247-F251 AromaticContact CE3-CD1 3.69Å; W247-F251 HydrophobicContact CE3-CD1 3.69Å; W247-F251 AromaticContact CE3-CE1 3.72Å; W247-F251 HydrophobicContact CE3-CE1 3.72Å; W247-F251 HydrophobicContact CG-CD1 4.4Å; W247-F251 HydrophobicContact CZ3-CD1 4.42Å; W247-F251 HydrophobicContact CZ3-CE1 4.07Å; S248-F251 PolarHBondContact O-N 3.01Å; S248-F251 WeakPolarHBondContact OG-CB 3.34Å; S248-F251 PolarHBondContact OG-N 3.23Å; S248-F251 VanDerWaalsContact OG-N 3.09Å; F251-F254 WeakPolarHBondContact O-CB 3.21Å; F251-F254 PolarHBondContact O-N 3.36Å; F251-V255 HydrophobicContact CD2-CG2 4.12Å; F251-V255 HydrophobicContact CE2-CG2 3.88Å; F251-V255 WeakPolarHBondContact O-CG2 3.4Å; F251-V255 PolarHBondContact O-N 2.79Å; F251-F277 HydrophobicContact CB-CD2 3.77Å; F251-F277 HydrophobicContact CB-CE2 3.51Å; F251-F277 HydrophobicContact CB-CG 4.45Å; F251-F277 HydrophobicContact CB-CZ 3.97Å; F251-F277 HydrophobicContact CD1-CE2 4.47Å; F251-F277 HydrophobicContact CD1-CZ 4.31Å; F251-F277 AromaticContact CD2-CD1 3.95Å; F251-F277 HydrophobicContact CD2-CD1 3.95Å; F251-F277 HydrophobicContact CD2-CD2 4.27Å; F251-F277 AromaticContact CD2-CE1 3.34Å; F251-F277 HydrophobicContact CD2-CE1 3.34Å; F251-F277 AromaticContact CD2-CE2 3.72Å; F251-F277 HydrophobicContact CD2-CE2 3.72Å; F251-F277 HydrophobicContact CD2-CG 4.39Å; F251-F277 AromaticContact CD2-CZ 3.21Å; F251-F277 HydrophobicContact CD2-CZ 3.21Å; F251-F277 AromaticContact CE2-CE1 3.69Å; F251-F277 HydrophobicContact CE2-CE1 3.69Å; F251-F277 AromaticContact CE2-CZ 3.68Å; F251-F277 HydrophobicContact CE2-CZ 3.68Å; F251-F277 HydrophobicContact CG-CD2 4.3Å; F251-F277 HydrophobicContact CG-CE1 4.16Å; F251-F277 AromaticContact CG-CE2 3.67Å; F251-F277 HydrophobicContact CG-CE2 3.67Å; F251-F277 AromaticContact CG-CZ 3.59Å; F251-F277 HydrophobicContact CG-CZ 3.59Å; F251-F277 HydrophobicContact CZ-CZ 4.39Å
252T98.8Very high98.2Very high49 Ų4965.3 Ų65.330%0.30132%0.321SS..Hα-helixtrans-63.7-43.4177.2-58.40000111.9S248 D249 V255 K256S248-T252 WeakPolarHBondContact O-CB 3.49Å; S248-T252 PolarHBondContact O-N 3.44Å; S248-T252 PolarHBondContact O-OG1 2.96Å; D249-T252 PolarHBondContact O-N 2.96Å; T252-V255 PolarHBondContact O-N 2.83Å; T252-K256 WeakPolarHBondContact O-CB 3.4Å; T252-K256 PolarHBondContact O-N 2.81Å
253D98.8Very high98Very high53 Ų5360.3 Ų60.328%0.28331%0.306SS..Hα-helixtrans-67.4-37.4175.1-16862.8000111.7D249 V255 K256 K257 H275D249-D253 WeakPolarHBondContact O-CB 3.48Å; D249-D253 PolarHBondContact O-N 3.39Å; D253-V255 PolarHBondContact O-N 3.2Å; D253-K256 WeakPolarHBondContact O-CB 3.41Å; D253-K256 PolarHBondContact O-N 3.44Å; D253-K257 VanDerWaalsContact O-CG 3.23Å; D253-K257 WeakPolarHBondContact O-CG 3.28Å; D253-K257 PolarHBondContact O-N 3.33Å; D253-K257 IonicContact OD1-NZ 3.36Å; D253-K257 IonicContact OD2-NZ 3.3Å; D253-K257 PolarHBondContact OD2-NZ 3.36Å; D253-H275 IonicContact OD2-NE2 3.17Å; D253-H275 PolarHBondContact OD2-NE2 3.09Å; D253-H275 VanDerWaalsContact OD2-NE2 3.11Å
254F98.9Very high97.9Very high0 Ų062.6 Ų62.60%032%0.319CS..Hα-helixtrans-56.9-52.3174.4175.7-94.3000111.3L127 L131 L207 D250 F251 K256 K257 C258 L272 H275 F277 I278L127-F254 HydrophobicContact CD1-CD1 4.43Å; L127-F254 HydrophobicContact CD1-CE1 3.7Å; L127-F254 HydrophobicContact CD1-CZ 4.18Å; L131-F254 HydrophobicContact CD1-CE2 4.05Å; L131-F254 HydrophobicContact CD1-CZ 4.16Å; L207-F254 HydrophobicContact CD2-CZ 4.34Å; D250-F254 WeakPolarHBondContact O-CB 3.36Å; D250-F254 PolarHBondContact O-N 3.41Å; F251-F254 WeakPolarHBondContact O-CB 3.21Å; F251-F254 PolarHBondContact O-N 3.36Å; F254-K256 VanDerWaalsContact C-N 3.29Å; F254-K256 PolarHBondContact O-N 3.14Å; F254-K257 PolarHBondContact O-N 2.96Å; F254-K257 VanDerWaalsContact O-N 3.14Å; F254-C258 PolarHBondContact O-N 3.31Å; F254-C258 VanDerWaalsContact O-N 3.11Å; F254-C258 PolarHBondContact O-SG 3.47Å; F254-C258 VanDerWaalsContact O-SG 3.38Å; F254-L272 HydrophobicContact CD2-CD2 4.1Å; F254-L272 HydrophobicContact CE2-CB 4.11Å; F254-L272 HydrophobicContact CE2-CD1 4.45Å; F254-L272 HydrophobicContact CE2-CD2 3.93Å; F254-L272 HydrophobicContact CE2-CG 4.39Å; F254-H275 HydrophobicContact CD2-CB 4.13Å; F254-H275 AromaticContact CD2-CG 3.92Å; F254-H275 AromaticContact CD2-ND1 3.92Å; F254-H275 PolarHBondContact N-CE1 2.86Å; F254-F277 HydrophobicContact CB-CB 4.01Å; F254-F277 HydrophobicContact CB-CD1 4.01Å; F254-F277 HydrophobicContact CB-CG 4.23Å; F254-F277 HydrophobicContact CD1-CD1 4.04Å; F254-F277 HydrophobicContact CD1-CE1 4.42Å; F254-F277 HydrophobicContact CD2-CD1 4.26Å; F254-F277 HydrophobicContact CG-CB 4.43Å; F254-F277 AromaticContact CG-CD1 3.82Å; F254-F277 HydrophobicContact CG-CD1 3.82Å; F254-F277 HydrophobicContact CG-CG 4.48Å; F254-I278 HydrophobicContact CD2-CD1 4.26Å; F254-I278 HydrophobicContact CD2-CG1 3.83Å; F254-I278 HydrophobicContact CE2-CD1 3.76Å; F254-I278 HydrophobicContact CE2-CG1 3.45Å; F254-I278 VanDerWaalsContact CE2-CG1 3.45Å; F254-I278 HydrophobicContact CZ-CD1 4.03Å; F254-I278 HydrophobicContact CZ-CG1 4.22Å
255V98.9Very high97.9Very high5 Ų566.5 Ų66.53%0.0333%0.332CS..Hα-helixtrans-60.3-41178.1172.20000111I212 F241 F251 T252 D253 K257 C258 L259I212-V255 HydrophobicContact CD1-CG1 3.97Å; I212-V255 HydrophobicContact CG1-CG1 4.03Å; F241-V255 HydrophobicContact CE2-CG2 4.22Å; F241-V255 HydrophobicContact CZ-CG2 3.75Å; F251-V255 HydrophobicContact CD2-CG2 4.12Å; F251-V255 HydrophobicContact CE2-CG2 3.88Å; F251-V255 WeakPolarHBondContact O-CG2 3.4Å; F251-V255 PolarHBondContact O-N 2.79Å; T252-V255 PolarHBondContact O-N 2.83Å; D253-V255 PolarHBondContact O-N 3.2Å; V255-K257 VanDerWaalsContact C-N 3.32Å; V255-K257 PolarHBondContact O-N 2.86Å; V255-C258 WeakPolarHBondContact O-CB 3.38Å; V255-C258 PolarHBondContact O-N 2.95Å; V255-L259 HydrophobicContact CG1-CD1 3.61Å; V255-L259 HydrophobicContact CG1-CG 4.16Å; V255-L259 WeakPolarHBondContact O-CB 3.47Å; V255-L259 WeakPolarHBondContact O-CG 3.3Å; V255-L259 PolarHBondContact O-N 3Å
256K98.8Very high98Very high147 Ų14760.1 Ų60.164%0.63930%0.301SS*.Hα-helixtrans-60.5-38.2176.2-178.2-177177.8-176.40112.8T252 D253 F254 V260T252-K256 WeakPolarHBondContact O-CB 3.4Å; T252-K256 PolarHBondContact O-N 2.81Å; D253-K256 WeakPolarHBondContact O-CB 3.41Å; D253-K256 PolarHBondContact O-N 3.44Å; F254-K256 VanDerWaalsContact C-N 3.29Å; F254-K256 PolarHBondContact O-N 3.14Å; K256-V260 WeakPolarHBondContact O-CG2 3.14Å
257K98.8Very high98Very high85 Ų8555.4 Ų55.437%0.3728%0.279SS..Hα-helixtrans-72.4-28.8177.6-65.7-76.5169.953.20112.6D253 F254 V255 L272D253-K257 VanDerWaalsContact O-CG 3.23Å; D253-K257 WeakPolarHBondContact O-CG 3.28Å; D253-K257 PolarHBondContact O-N 3.33Å; D253-K257 IonicContact OD1-NZ 3.36Å; D253-K257 IonicContact OD2-NZ 3.3Å; D253-K257 PolarHBondContact OD2-NZ 3.36Å; F254-K257 PolarHBondContact O-N 2.96Å; F254-K257 VanDerWaalsContact O-N 3.14Å; V255-K257 VanDerWaalsContact C-N 3.32Å; V255-K257 PolarHBondContact O-N 2.86Å; K257-L272 HydrophobicContact CB-CD2 3.97Å
258C98.8Very high98Very high0 Ų056 Ų560%029%0.287CS..Hα-helixtrans-73.1-45.1171.5-64.20000111.9I204 F254 V255 V260 R266 L272I204-C258 HydrophobicContact CG2-CB 4.25Å; F254-C258 PolarHBondContact O-N 3.31Å; F254-C258 VanDerWaalsContact O-N 3.11Å; F254-C258 PolarHBondContact O-SG 3.47Å; F254-C258 VanDerWaalsContact O-SG 3.38Å; V255-C258 WeakPolarHBondContact O-CB 3.38Å; V255-C258 PolarHBondContact O-N 2.95Å; C258-V260 VanDerWaalsContact C-N 3.26Å; C258-V260 PolarHBondContact O-N 2.76Å; C258-V260 VanDerWaalsContact O-N 3.1Å; C258-R266 VanDerWaalsContact O-CD 3.25Å; C258-R266 WeakPolarHBondContact O-CD 3.35Å; C258-R266 WeakPolarHBondContact O-CG 3.37Å; C258-L272 VanDerWaalsContact SG-CD1 3.53Å
259L98.7Very high98Very high3 Ų354 Ų542%0.01627%0.273CS..  trans-89.745.1-172.2-58.1-178.2000113.4W205 I209 I212 P238 P239 V255W205-L259 HydrophobicContact CD2-CD2 3.85Å; W205-L259 HydrophobicContact CE3-CB 4.37Å; W205-L259 HydrophobicContact CE3-CD2 4.07Å; W205-L259 HydrophobicContact CG-CD2 4.21Å; W205-L259 HydrophobicContact CZ2-CD2 4.43Å; W205-L259 HydrophobicContact CZ3-CB 4.18Å; W205-L259 HydrophobicContact CZ3-CD2 4.44Å; W205-L259 WeakPolarHBondContact O-CD2 3.43Å; I209-L259 HydrophobicContact CD1-CD1 4.26Å; I209-L259 HydrophobicContact CD1-CD2 3.76Å; I209-L259 HydrophobicContact CG1-CD2 3.97Å; I212-L259 HydrophobicContact CD1-CD1 3.89Å; P238-L259 HydrophobicContact CB-CB 4.06Å; P238-L259 VanDerWaalsContact CB-O 3.24Å; P238-L259 WeakPolarHBondContact CB-O 3.26Å; P238-L259 WeakPolarHBondContact CG-O 3.4Å; P239-L259 HydrophobicContact CG-CD1 3.94Å; P239-L259 WeakPolarHBondContact O-CD1 3.36Å; V255-L259 HydrophobicContact CG1-CD1 3.61Å; V255-L259 HydrophobicContact CG1-CG 4.16Å; V255-L259 WeakPolarHBondContact O-CB 3.47Å; V255-L259 WeakPolarHBondContact O-CG 3.3Å; V255-L259 PolarHBondContact O-N 3Å
260V98.5Very high98Very high35 Ų3550.5 Ų50.521%0.21226%0.257CS..  trans-86.6120.5172.1-179.40000109K256 C258 Q265 R266K256-V260 WeakPolarHBondContact O-CG2 3.14Å; C258-V260 VanDerWaalsContact C-N 3.26Å; C258-V260 PolarHBondContact O-N 2.76Å; C258-V260 VanDerWaalsContact O-N 3.1Å; V260-Q265 HydrophobicContact CG1-CB 3.84Å; V260-R266 HydrophobicContact CB-CB 4.09Å; V260-R266 HydrophobicContact CB-CG 4.21Å; V260-R266 VanDerWaalsContact O-CZ 3.32Å; V260-R266 PolarHBondContact O-NE 2.91Å; V260-R266 PolarHBondContact O-NH2 2.58Å
261K95.9Very high98Very high62 Ų6253 Ų5327%0.2727%0.267SS..SBendtrans-65-42.1-175.3-65-176.969.8173.90112.9P190 W205 P234 T235 N236 P238 P263 R266P190-K261 HydrophobicContact CG-CB 4.47Å; P190-K261 HydrophobicContact CG-CG 4.31Å; W205-K261 HydrophobicContact CH2-CG 4.1Å; W205-K261 HydrophobicContact CZ3-CG 3.97Å; P234-K261 VanDerWaalsContact C-NZ 3.29Å; P234-K261 WeakPolarHBondContact O-CE 3.2Å; P234-K261 PolarHBondContact O-NZ 3.13Å; T235-K261 PolarHBondContact O-NZ 3.19Å; N236-K261 PolarHBondContact O-NZ 3.16Å; P238-K261 HydrophobicContact CG-CD 4.3Å; P238-K261 HydrophobicContact CG-CG 3.98Å; K261-P263 VanDerWaalsContact O-CD 3.26Å; K261-P263 WeakPolarHBondContact O-CD 3.45Å; K261-R266 PolarHBondContact O-NH2 3.29Å
262N95.4Very high98Very high61 Ų6153.1 Ų53.133%0.32627%0.267SS..SBendtrans-72.7113.5175.2-176.9-10.1000109.2E264 Q265 R266N262-E264 PolarHBondContact O-N 3.45Å; N262-E264 PolarHBondContact OD1-N 3.04Å; N262-Q265 HydrophobicContact CB-CB 4.36Å; N262-Q265 HydrophobicContact CB-CG 4.35Å; N262-Q265 PolarHBondContact O-N 2.87Å; N262-Q265 VanDerWaalsContact O-N 3.12Å; N262-R266 PolarHBondContact O-N 3.28Å
263P95.3Very high98Very high31 Ų3151.9 Ų51.920%0.20126%0.259CS..G310 helixtrans-62.3-29.5-177.525.9-34.9000112.8E191 V201 K261 Q265 R266E191-P263 HydrophobicContact CB-CG 4.43Å; E191-P263 HydrophobicContact CG-CB 4.39Å; E191-P263 HydrophobicContact CG-CG 4.26Å; V201-P263 HydrophobicContact CG2-CB 3.81Å; V201-P263 WeakPolarHBondContact CG2-O 3.34Å; K261-P263 VanDerWaalsContact O-CD 3.26Å; K261-P263 WeakPolarHBondContact O-CD 3.45Å; P263-Q265 PolarHBondContact O-N 3.27Å; P263-R266 PolarHBondContact O-N 3.19Å
264E94.8Very high98Very high173 Ų17354.7 Ų54.781%0.80827%0.27SS*.G310 helixtrans-67.7-23178.6-61.2179.9171.600113.1N262N262-E264 PolarHBondContact O-N 3.45Å; N262-E264 PolarHBondContact OD1-N 3.04Å
265Q97.1Very high98Very high143 Ų14355.5 Ų55.567%0.66827%0.274SS*.G310 helixtrans-100.8-7.5179-63.6179.3-6.200112.5V260 N262 P263V260-Q265 HydrophobicContact CG1-CB 3.84Å; N262-Q265 HydrophobicContact CB-CB 4.36Å; N262-Q265 HydrophobicContact CB-CG 4.35Å; N262-Q265 PolarHBondContact O-N 2.87Å; N262-Q265 VanDerWaalsContact O-N 3.12Å; P263-Q265 PolarHBondContact O-N 3.27Å
266R98.2Very high98Very high7 Ų758 Ų583%0.02629%0.29CS..SBendtrans-74.3136-179.5-165.4-178.7-60.3149.16.4109.5E191 V201 I204 C258 V260 K261 N262 P263E191-R266 IonicContact OE1-CZ 2.67Å; E191-R266 IonicContact OE1-NH1 2.85Å; E191-R266 PolarHBondContact OE1-NH1 3.34Å; E191-R266 IonicContact OE1-NH2 2.72Å; E191-R266 PolarHBondContact OE1-NH2 3.17Å; E191-R266 IonicContact OE2-CZ 3.92Å; E191-R266 IonicContact OE2-NH1 2.71Å; E191-R266 IonicContact OE2-NH2 2.73Å; E191-R266 PolarHBondContact OE2-NH2 3.27Å; V201-R266 HydrophobicContact CB-CB 4.46Å; V201-R266 HydrophobicContact CG2-CB 4.42Å; V201-R266 VanDerWaalsContact O-CD 3.28Å; V201-R266 WeakPolarHBondContact O-CD 3.44Å; V201-R266 PolarHBondContact O-NH1 2.71Å; I204-R266 HydrophobicContact CG2-CG 4.21Å; C258-R266 VanDerWaalsContact O-CD 3.25Å; C258-R266 WeakPolarHBondContact O-CD 3.35Å; C258-R266 WeakPolarHBondContact O-CG 3.37Å; V260-R266 HydrophobicContact CB-CB 4.09Å; V260-R266 HydrophobicContact CB-CG 4.21Å; V260-R266 VanDerWaalsContact O-CZ 3.32Å; V260-R266 PolarHBondContact O-NE 2.91Å; V260-R266 PolarHBondContact O-NH2 2.58Å; K261-R266 PolarHBondContact O-NH2 3.29Å; N262-R266 PolarHBondContact O-N 3.28Å; P263-R266 PolarHBondContact O-N 3.19Å
267A98.4Very high98Very high14 Ų1451.6 Ų51.612%0.11626%0.262CS..PPolyproline II helixtrans-62.8149.7-179.700000111.3I204 Q271 L272I204-A267 WeakPolarHBondContact CG2-O 3.5Å; A267-Q271 HydrophobicContact CB-CB 4.42Å; A267-L272 HydrophobicContact CB-CD1 4.33Å; A267-L272 HydrophobicContact CB-CD2 3.86Å; A267-L272 HydrophobicContact CB-CG 3.79Å
268T98.6Very high98Very high53 Ų5347.6 Ų47.633%0.32525%0.245SC..PPolyproline II helixtrans-87.1165172.868.90000111.5V201 T270 Q271 L272V201-T268 HydrophobicContact CG1-CG2 4.3Å; T268-T270 VanDerWaalsContact C-N 3.29Å; T268-T270 PolarHBondContact O-N 2.89Å; T268-Q271 PolarHBondContact O-N 3.45Å; T268-Q271 VanDerWaalsContact O-N 3.14Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.43Å; T268-Q271 PolarHBondContact OG1-N 2.66Å; T268-L272 WeakPolarHBondContact O-CG 3.39Å; T268-L272 PolarHBondContact O-N 3.17Å
269A98.5Very high97.9Very high2 Ų252.8 Ų52.82%0.01727%0.268CS..Hα-helixtrans-53.9-45.5174.600000112.2L131 L134 E135 I204 Q271 L272 L273L131-A269 HydrophobicContact CD2-CB 4.18Å; L134-A269 HydrophobicContact CB-CB 4.11Å; E135-A269 HydrophobicContact CB-CB 3.97Å; I204-A269 HydrophobicContact CD1-CB 4.01Å; A269-Q271 VanDerWaalsContact C-N 3.33Å; A269-Q271 PolarHBondContact O-N 3.11Å; A269-L272 PolarHBondContact O-N 3.11Å; A269-L273 WeakPolarHBondContact O-CG 3.3Å; A269-L273 PolarHBondContact O-N 3.25Å
270T98.6Very high97.9Very high73 Ų7357.7 Ų57.745%0.44829%0.294SS..Hα-helixtrans-59.6-40.7177.6-56.20000112.6E135 T268E135-T270 WeakPolarHBondContact OE1-CA 3.46Å; E135-T270 VanDerWaalsContact OE1-CB 3.29Å; E135-T270 WeakPolarHBondContact OE1-CB 3.46Å; E135-T270 WeakPolarHBondContact OE1-CG2 3.18Å; E135-T270 PolarHBondContact OE1-OG1 2.93Å; T268-T270 VanDerWaalsContact C-N 3.29Å; T268-T270 PolarHBondContact O-N 2.89Å
271Q98.7Very high97.9Very high116 Ų11656.5 Ų56.554%0.54229%0.288SS..Hα-helixtrans-69.4-42177.1-70.9169.7-24.100111.5A267 T268 A269 L273 Q274A267-Q271 HydrophobicContact CB-CB 4.42Å; T268-Q271 PolarHBondContact O-N 3.45Å; T268-Q271 VanDerWaalsContact O-N 3.14Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.43Å; T268-Q271 PolarHBondContact OG1-N 2.66Å; A269-Q271 VanDerWaalsContact C-N 3.33Å; A269-Q271 PolarHBondContact O-N 3.11Å; Q271-L273 VanDerWaalsContact C-N 3.32Å; Q271-L273 PolarHBondContact O-N 3.27Å; Q271-Q274 WeakPolarHBondContact O-CB 3.5Å; Q271-Q274 PolarHBondContact O-N 3.11Å
272L98.9Very high98Very high3 Ų358 Ų582%0.01629%0.294CS..Hα-helixtrans-68.1-28.9179.8-73.2175.3000113.3L131 I204 F254 K257 C258 A267 T268 A269 Q274 H275L131-L272 HydrophobicContact CD1-CB 4Å; L131-L272 HydrophobicContact CD2-CB 3.81Å; L131-L272 HydrophobicContact CD2-CD1 4.12Å; I204-L272 HydrophobicContact CD1-CD1 4.29Å; I204-L272 HydrophobicContact CG2-CD1 3.46Å; I204-L272 VanDerWaalsContact CG2-CD1 3.46Å; F254-L272 HydrophobicContact CD2-CD2 4.1Å; F254-L272 HydrophobicContact CE2-CB 4.11Å; F254-L272 HydrophobicContact CE2-CD1 4.45Å; F254-L272 HydrophobicContact CE2-CD2 3.93Å; F254-L272 HydrophobicContact CE2-CG 4.39Å; K257-L272 HydrophobicContact CB-CD2 3.97Å; C258-L272 VanDerWaalsContact SG-CD1 3.53Å; A267-L272 HydrophobicContact CB-CD1 4.33Å; A267-L272 HydrophobicContact CB-CD2 3.86Å; A267-L272 HydrophobicContact CB-CG 3.79Å; T268-L272 WeakPolarHBondContact O-CG 3.39Å; T268-L272 PolarHBondContact O-N 3.17Å; A269-L272 PolarHBondContact O-N 3.11Å; L272-Q274 PolarHBondContact O-N 3.35Å; L272-Q274 VanDerWaalsContact O-N 3.16Å; L272-H275 WeakPolarHBondContact O-CB 3.48Å; L272-H275 PolarHBondContact O-N 3.38Å
273L98.8Very high98.2Very high23 Ų2359.4 Ų59.412%0.1231%0.307CS..THydrogen-bonded Turntrans-60.1-21.7169.4-76.9169.4000113L131 K132 E135 A269 Q271 I278L131-L273 HydrophobicContact CB-CD2 3.62Å; L131-L273 HydrophobicContact CB-CG 3.91Å; L131-L273 HydrophobicContact CD1-CD2 4.36Å; K132-L273 HydrophobicContact CG-CD1 4.23Å; K132-L273 HydrophobicContact CG-CD2 3.92Å; E135-L273 HydrophobicContact CB-CD1 4.33Å; E135-L273 WeakPolarHBondContact OE2-CD1 3.48Å; A269-L273 WeakPolarHBondContact O-CG 3.3Å; A269-L273 PolarHBondContact O-N 3.25Å; Q271-L273 VanDerWaalsContact C-N 3.32Å; Q271-L273 PolarHBondContact O-N 3.27Å; L273-I278 HydrophobicContact CD2-CG2 4.17Å
274Q98.8Very high98.3Very high112 Ų11259.9 Ų59.952%0.52331%0.309SS..THydrogen-bonded Turntrans-92.2-4.8176.7-54.4-57.5-46.900113.7Q271 L272 K279Q271-Q274 WeakPolarHBondContact O-CB 3.5Å; Q271-Q274 PolarHBondContact O-N 3.11Å; L272-Q274 PolarHBondContact O-N 3.35Å; L272-Q274 VanDerWaalsContact O-N 3.16Å; Q274-K279 WeakPolarHBondContact O-CD 3.43Å
275H98.9Very high98.4Very high17 Ų1754.3 Ų54.38%0.07929%0.289CS..SBendtrans-65.2141.4-179.9-165.4-86.5000111.4D250 D253 F254 L272 F277 I278 K279D250-H275 PolarHBondContact O-CE1 3.32Å; D253-H275 IonicContact OD2-NE2 3.17Å; D253-H275 PolarHBondContact OD2-NE2 3.09Å; D253-H275 VanDerWaalsContact OD2-NE2 3.11Å; F254-H275 HydrophobicContact CD2-CB 4.13Å; F254-H275 AromaticContact CD2-CG 3.92Å; F254-H275 AromaticContact CD2-ND1 3.92Å; F254-H275 PolarHBondContact N-CE1 2.86Å; L272-H275 WeakPolarHBondContact O-CB 3.48Å; L272-H275 PolarHBondContact O-N 3.38Å; H275-F277 VanDerWaalsContact C-N 3.34Å; H275-F277 WeakPolarHBondContact ND1-CB 3.39Å; H275-F277 PolarHBondContact ND1-N 2.76Å; H275-F277 PolarHBondContact O-N 3.3Å; H275-I278 PolarHBondContact O-N 2.83Å; H275-K279 PolarHBondContact O-N 3.19Å
276P98.8Very high98.5Very high57 Ų5750.1 Ų50.137%0.3727%0.271SS..Hα-helixtrans-49-49179.9-31.136.4000114.1I278 K279 N280P276-I278 VanDerWaalsContact C-N 3.26Å; P276-I278 PolarHBondContact O-N 2.94Å; P276-K279 PolarHBondContact O-N 2.95Å; P276-N280 VanDerWaalsContact O-CB 3.3Å; P276-N280 WeakPolarHBondContact O-CB 3.44Å; P276-N280 VanDerWaalsContact O-CG 3.3Å; P276-N280 PolarHBondContact O-N 3.46Å; P276-N280 PolarHBondContact O-ND2 3.25Å
277F98.9Very high98.5Very high13 Ų1349.9 Ų49.96%0.05727%0.27CS..Hα-helixtrans-49.8-42.3175.6-171.5-116.1000113.8E120 I123 A124 L127 D250 F251 F254 H275E120-F277 HydrophobicContact CB-CE2 4.12Å; E120-F277 HydrophobicContact CG-CE2 4.46Å; I123-F277 HydrophobicContact CG2-CE1 4.24Å; I123-F277 HydrophobicContact CG2-CZ 4.18Å; A124-F277 HydrophobicContact CB-CD1 4.25Å; A124-F277 HydrophobicContact CB-CD2 4.45Å; A124-F277 HydrophobicContact CB-CE1 3.82Å; A124-F277 HydrophobicContact CB-CE2 4.03Å; A124-F277 HydrophobicContact CB-CZ 3.69Å; L127-F277 HydrophobicContact CD1-CE1 4.08Å; D250-F277 HydrophobicContact CB-CB 4.2Å; D250-F277 HydrophobicContact CB-CD2 4.41Å; F251-F277 HydrophobicContact CB-CD2 3.77Å; F251-F277 HydrophobicContact CB-CE2 3.51Å; F251-F277 HydrophobicContact CB-CG 4.45Å; F251-F277 HydrophobicContact CB-CZ 3.97Å; F251-F277 HydrophobicContact CD1-CE2 4.47Å; F251-F277 HydrophobicContact CD1-CZ 4.31Å; F251-F277 AromaticContact CD2-CD1 3.95Å; F251-F277 HydrophobicContact CD2-CD1 3.95Å; F251-F277 HydrophobicContact CD2-CD2 4.27Å; F251-F277 AromaticContact CD2-CE1 3.34Å; F251-F277 HydrophobicContact CD2-CE1 3.34Å; F251-F277 AromaticContact CD2-CE2 3.72Å; F251-F277 HydrophobicContact CD2-CE2 3.72Å; F251-F277 HydrophobicContact CD2-CG 4.39Å; F251-F277 AromaticContact CD2-CZ 3.21Å; F251-F277 HydrophobicContact CD2-CZ 3.21Å; F251-F277 AromaticContact CE2-CE1 3.69Å; F251-F277 HydrophobicContact CE2-CE1 3.69Å; F251-F277 AromaticContact CE2-CZ 3.68Å; F251-F277 HydrophobicContact CE2-CZ 3.68Å; F251-F277 HydrophobicContact CG-CD2 4.3Å; F251-F277 HydrophobicContact CG-CE1 4.16Å; F251-F277 AromaticContact CG-CE2 3.67Å; F251-F277 HydrophobicContact CG-CE2 3.67Å; F251-F277 AromaticContact CG-CZ 3.59Å; F251-F277 HydrophobicContact CG-CZ 3.59Å; F251-F277 HydrophobicContact CZ-CZ 4.39Å; F254-F277 HydrophobicContact CB-CB 4.01Å; F254-F277 HydrophobicContact CB-CD1 4.01Å; F254-F277 HydrophobicContact CB-CG 4.23Å; F254-F277 HydrophobicContact CD1-CD1 4.04Å; F254-F277 HydrophobicContact CD1-CE1 4.42Å; F254-F277 HydrophobicContact CD2-CD1 4.26Å; F254-F277 HydrophobicContact CG-CB 4.43Å; F254-F277 AromaticContact CG-CD1 3.82Å; F254-F277 HydrophobicContact CG-CD1 3.82Å; F254-F277 HydrophobicContact CG-CG 4.48Å; H275-F277 VanDerWaalsContact C-N 3.34Å; H275-F277 WeakPolarHBondContact ND1-CB 3.39Å; H275-F277 PolarHBondContact ND1-N 2.76Å; H275-F277 PolarHBondContact O-N 3.3Å
278I98.8Very high98.4Very high1 Ų156.4 Ų56.41%0.00529%0.292CS..Hα-helixtrans-87-36.2-177.2-58.1-59.2000112.1L127 K128 L131 F254 L273 H275 P276 N280 A281L127-I278 HydrophobicContact CB-CD1 3.81Å; K128-I278 HydrophobicContact CB-CG2 3.86Å; K128-I278 HydrophobicContact CD-CG2 4.36Å; K128-I278 HydrophobicContact CG-CG2 3.9Å; K128-I278 PolarHBondContact NZ-O 3.12Å; L131-I278 HydrophobicContact CD1-CD1 3.96Å; L131-I278 HydrophobicContact CD1-CG1 3.77Å; L131-I278 HydrophobicContact CD1-CG2 4.09Å; F254-I278 HydrophobicContact CD2-CD1 4.26Å; F254-I278 HydrophobicContact CD2-CG1 3.83Å; F254-I278 HydrophobicContact CE2-CD1 3.76Å; F254-I278 HydrophobicContact CE2-CG1 3.45Å; F254-I278 VanDerWaalsContact CE2-CG1 3.45Å; F254-I278 HydrophobicContact CZ-CD1 4.03Å; F254-I278 HydrophobicContact CZ-CG1 4.22Å; L273-I278 HydrophobicContact CD2-CG2 4.17Å; H275-I278 PolarHBondContact O-N 2.83Å; P276-I278 VanDerWaalsContact C-N 3.26Å; P276-I278 PolarHBondContact O-N 2.94Å; I278-N280 VanDerWaalsContact C-N 3.29Å; I278-N280 PolarHBondContact O-N 3.42Å; I278-A281 VanDerWaalsContact O-CB 3.25Å; I278-A281 WeakPolarHBondContact O-CB 3.15Å; I278-A281 PolarHBondContact O-N 3.49Å
279K98.3Very high98.3Very high109 Ų10960.2 Ų60.247%0.47431%0.31SS..Hα-helixtrans-60.9-42.2175.4-88.7-172.2165.1157.60111.6Q274 H275 P276 A281Q274-K279 WeakPolarHBondContact O-CD 3.43Å; H275-K279 PolarHBondContact O-N 3.19Å; P276-K279 PolarHBondContact O-N 2.95Å; K279-A281 VanDerWaalsContact C-N 3.28Å; K279-A281 PolarHBondContact O-N 3.26Å
280N98.1Very high98.2Very high106 Ų10660.1 Ų60.157%0.56731%0.309SS*.THydrogen-bonded Turntrans-82.6-2.1-178.1-63.5-25.5000113.7P276 I278 K282P276-N280 VanDerWaalsContact O-CB 3.3Å; P276-N280 WeakPolarHBondContact O-CB 3.44Å; P276-N280 VanDerWaalsContact O-CG 3.3Å; P276-N280 PolarHBondContact O-N 3.46Å; P276-N280 PolarHBondContact O-ND2 3.25Å; I278-N280 VanDerWaalsContact C-N 3.29Å; I278-N280 PolarHBondContact O-N 3.42Å; N280-K282 PolarHBondContact O-N 2.79Å
281A98.6Very high98.2Very high11 Ų1156.8 Ų56.89%0.09129%0.289CS..PPolyproline II helixtrans-55.7137.8178.100000111.9A124 K128 I278 K279A124-A281 HydrophobicContact CB-CB 3.77Å; K128-A281 HydrophobicContact CB-CB 4.39Å; K128-A281 HydrophobicContact CD-CB 3.87Å; I278-A281 VanDerWaalsContact O-CB 3.25Å; I278-A281 WeakPolarHBondContact O-CB 3.15Å; I278-A281 PolarHBondContact O-N 3.49Å; K279-A281 VanDerWaalsContact C-N 3.28Å; K279-A281 PolarHBondContact O-N 3.26Å
282K98.4Very high98.1Very high93 Ų9354.1 Ų54.140%0.40428%0.28SS..PPolyproline II helixtrans-69.5166.5-177.9-52.8-59.4-178.1-175.50111.8D121 T125 N280 I286D121-K282 HydrophobicContact CB-CG 4.1Å; D121-K282 VanDerWaalsContact OD1-CE 3.27Å; D121-K282 WeakPolarHBondContact OD1-CE 3.31Å; D121-K282 VanDerWaalsContact OD2-CE 3.25Å; D121-K282 WeakPolarHBondContact OD2-CE 3.26Å; T125-K282 PolarHBondContact OG1-O 2.9Å; N280-K282 PolarHBondContact O-N 2.79Å; K282-I286 HydrophobicContact CB-CD1 3.8Å; K282-I286 HydrophobicContact CB-CG1 4.04Å; K282-I286 HydrophobicContact CB-CG2 3.7Å; K282-I286 HydrophobicContact CG-CD1 4.11Å; K282-I286 HydrophobicContact CG-CG2 4.27Å
283P98.3Very high98.1Very high90 Ų9056.5 Ų56.558%0.58429%0.291SS*.PPolyproline II helixtrans-64.5153.3170.7-19.432.8000111.8S285 I286P283-S285 PolarHBondContact O-N 2.94Å; P283-I286 WeakPolarHBondContact O-CG1 3.43Å; P283-I286 PolarHBondContact O-N 3.19Å; P283-I286 VanDerWaalsContact O-N 3.13Å
284V97.3Very high98Very high42 Ų4255.5 Ų55.526%0.25529%0.286SS..G310 helixtrans-54.5-19.3179.8-61.60000114.6T125 I286 L287T125-V284 HydrophobicContact CG2-CG1 4.29Å; V284-I286 PolarHBondContact O-N 3.47Å; V284-I286 VanDerWaalsContact O-N 3.17Å; V284-L287 WeakPolarHBondContact O-CB 3.4Å; V284-L287 PolarHBondContact O-N 2.91Å
285S97.9Very high97.8Very high56 Ų5653.3 Ų53.339%0.39228%0.277SS..G310 helixtrans-59.1-25.2177.356.10000113.8P283 L287 R288P283-S285 PolarHBondContact O-N 2.94Å; S285-L287 PolarHBondContact O-N 3.5Å; S285-R288 WeakPolarHBondContact O-CB 3.5Å; S285-R288 WeakPolarHBondContact O-CG 3.45Å; S285-R288 PolarHBondContact O-N 3.33Å
286I98.3Very high97.6Very high55 Ų5558.6 Ų58.628%0.28230%0.302SS..G310 helixtrans-66.9-20.6176.368.7150.8000112.5D121 E122 T125 K282 P283 V284 R288D121-I286 VanDerWaalsContact C-CD1 3.5Å; D121-I286 HydrophobicContact CB-CD1 3.87Å; D121-I286 WeakPolarHBondContact O-CD1 3.28Å; E122-I286 HydrophobicContact CG-CD1 4.43Å; T125-I286 HydrophobicContact CG2-CG1 4.4Å; T125-I286 WeakPolarHBondContact OG1-CD1 3.48Å; K282-I286 HydrophobicContact CB-CD1 3.8Å; K282-I286 HydrophobicContact CB-CG1 4.04Å; K282-I286 HydrophobicContact CB-CG2 3.7Å; K282-I286 HydrophobicContact CG-CD1 4.11Å; K282-I286 HydrophobicContact CG-CG2 4.27Å; P283-I286 WeakPolarHBondContact O-CG1 3.43Å; P283-I286 PolarHBondContact O-N 3.19Å; P283-I286 VanDerWaalsContact O-N 3.13Å; V284-I286 PolarHBondContact O-N 3.47Å; V284-I286 VanDerWaalsContact O-N 3.17Å; I286-R288 PolarHBondContact O-N 3.41Å
287L98.4Very high97.4Very high1 Ų158.1 Ų58.11%0.00530%0.296CS..G310 helixtrans-82.3-2.7179.3-51.3178000112E122 T125 I126 L154 G158 V284 S285 L290 I291E122-L287 HydrophobicContact CB-CD2 3.94Å; E122-L287 HydrophobicContact CG-CD2 4.09Å; T125-L287 HydrophobicContact CG2-CD1 3.9Å; T125-L287 HydrophobicContact CG2-CD2 4.35Å; T125-L287 HydrophobicContact CG2-CG 4.06Å; I126-L287 HydrophobicContact CD1-CD2 4.4Å; I126-L287 HydrophobicContact CG1-CD1 3.93Å; I126-L287 HydrophobicContact CG1-CD2 4.21Å; L154-L287 HydrophobicContact CD2-CD1 4.13Å; G158-L287 WeakPolarHBondContact O-CD1 3.4Å; V284-L287 WeakPolarHBondContact O-CB 3.4Å; V284-L287 PolarHBondContact O-N 2.91Å; S285-L287 PolarHBondContact O-N 3.5Å; L287-L290 HydrophobicContact CB-CD2 3.91Å; L287-L290 HydrophobicContact CB-CG 4.4Å; L287-L290 HydrophobicContact CD2-CD2 3.55Å; L287-L290 HydrophobicContact CG-CD2 4.32Å; L287-L290 WeakPolarHBondContact O-CG 3.45Å; L287-I291 HydrophobicContact CB-CD1 4.03Å; L287-I291 VanDerWaalsContact O-CB 3.31Å; L287-I291 WeakPolarHBondContact O-CB 3.35Å; L287-I291 VanDerWaalsContact O-CD1 3.26Å; L287-I291 WeakPolarHBondContact O-CD1 3.38Å; L287-I291 WeakPolarHBondContact O-CG1 3.48Å; L287-I291 PolarHBondContact O-N 2.84Å; L287-I291 VanDerWaalsContact O-N 3.12Å
288R97.2Very high97.1Very high152 Ų15261.1 Ų61.157%0.57431%0.309SS*.Hα-helixtrans-64.5-47.2-177.4-73.4177.5177.2176-2.1111.9S285 I286 L290 I291 T292S285-R288 WeakPolarHBondContact O-CB 3.5Å; S285-R288 WeakPolarHBondContact O-CG 3.45Å; S285-R288 PolarHBondContact O-N 3.33Å; I286-R288 PolarHBondContact O-N 3.41Å; R288-L290 PolarHBondContact O-N 2.99Å; R288-I291 PolarHBondContact O-N 2.88Å; R288-T292 WeakPolarHBondContact O-CB 3.43Å; R288-T292 PolarHBondContact O-N 3.38Å; R288-T292 PolarHBondContact O-OG1 3.48Å; R288-T292 VanDerWaalsContact O-OG1 3.11Å
289D96Very high96.7Very high132 Ų13263.4 Ų63.471%0.70633%0.328SS*.Hα-helixtrans-64.3-43.5-175.2-62.7-12000111.2I291 T292 E293D289-I291 VanDerWaalsContact C-N 3.34Å; D289-I291 PolarHBondContact O-N 2.84Å; D289-T292 PolarHBondContact O-N 3.47Å; D289-E293 WeakPolarHBondContact O-CB 3.39Å; D289-E293 PolarHBondContact O-N 3.3Å
290L97.1Very high96.4Very high1 Ų164.2 Ų64.21%0.00533%0.331CS..Hα-helixtrans-65.9-36.117779.694.7000112.7I110 R114 E122 L287 R288 A294I110-L290 HydrophobicContact CD1-CD1 4.23Å; I110-L290 HydrophobicContact CG2-CD1 3.58Å; R114-L290 VanDerWaalsContact NH1-CB 3.33Å; E122-L290 HydrophobicContact CB-CD2 4.2Å; E122-L290 HydrophobicContact CG-CD2 3.65Å; E122-L290 VanDerWaalsContact OE1-CD2 3.23Å; E122-L290 WeakPolarHBondContact OE1-CD2 3.11Å; L287-L290 HydrophobicContact CB-CD2 3.91Å; L287-L290 HydrophobicContact CB-CG 4.4Å; L287-L290 HydrophobicContact CD2-CD2 3.55Å; L287-L290 HydrophobicContact CG-CD2 4.32Å; L287-L290 WeakPolarHBondContact O-CG 3.45Å; R288-L290 PolarHBondContact O-N 2.99Å; L290-A294 WeakPolarHBondContact O-CB 3.48Å; L290-A294 PolarHBondContact O-N 3.32Å
291I97.8Very high96Very high2 Ų265.2 Ų65.21%0.0133%0.327CS..Hα-helixtrans-70-46.4178.7-73.4168000109.7A104 L154 G158 L287 R288 D289 A294 M295A104-I291 HydrophobicContact CB-CB 4.41Å; A104-I291 HydrophobicContact CB-CD1 4.42Å; A104-I291 HydrophobicContact CB-CG1 3.97Å; A104-I291 HydrophobicContact CB-CG2 3.76Å; L154-I291 HydrophobicContact CB-CD1 4.49Å; G158-I291 VanDerWaalsContact CA-CD1 3.44Å; L287-I291 HydrophobicContact CB-CD1 4.03Å; L287-I291 VanDerWaalsContact O-CB 3.31Å; L287-I291 WeakPolarHBondContact O-CB 3.35Å; L287-I291 VanDerWaalsContact O-CD1 3.26Å; L287-I291 WeakPolarHBondContact O-CD1 3.38Å; L287-I291 WeakPolarHBondContact O-CG1 3.48Å; L287-I291 PolarHBondContact O-N 2.84Å; L287-I291 VanDerWaalsContact O-N 3.12Å; R288-I291 PolarHBondContact O-N 2.88Å; D289-I291 VanDerWaalsContact C-N 3.34Å; D289-I291 PolarHBondContact O-N 2.84Å; I291-A294 PolarHBondContact O-N 2.88Å; I291-M295 HydrophobicContact CG2-CE 4.2Å; I291-M295 HydrophobicContact CG2-CG 4.31Å; I291-M295 HydrophobicContact CG2-SD 4.06Å; I291-M295 WeakPolarHBondContact O-CB 3.48Å; I291-M295 VanDerWaalsContact O-CG 3.32Å; I291-M295 WeakPolarHBondContact O-CG 3.42Å; I291-M295 PolarHBondContact O-N 3.32Å
292T97.4Very high95.4Very high60 Ų6067.6 Ų67.637%0.36834%0.336SS..Hα-helixtrans-58.9-48.9176.6-64.10000110.8R288 D289 A294 M295 E296R288-T292 WeakPolarHBondContact O-CB 3.43Å; R288-T292 PolarHBondContact O-N 3.38Å; R288-T292 PolarHBondContact O-OG1 3.48Å; R288-T292 VanDerWaalsContact O-OG1 3.11Å; D289-T292 PolarHBondContact O-N 3.47Å; T292-A294 VanDerWaalsContact C-N 3.33Å; T292-A294 PolarHBondContact O-N 3.02Å; T292-M295 PolarHBondContact O-N 3.22Å; T292-E296 HydrophobicContact CG2-CG 4.28Å; T292-E296 VanDerWaalsContact CG2-OE1 3.27Å; T292-E296 WeakPolarHBondContact CG2-OE1 3.47Å; T292-E296 WeakPolarHBondContact O-CB 3.41Å; T292-E296 WeakPolarHBondContact O-CG 3.49Å; T292-E296 PolarHBondContact O-N 3.26Å
293E97.3Very high95Very high53 Ų5367.9 Ų67.925%0.24834%0.339CS..Hα-helixtrans-57.1-45.2176.9-173.5-178.1-178.100111.5R114 K116 D289 I297R114-E293 HydrophobicContact CG-CG 4.24Å; R114-E293 IonicContact CZ-OE2 2.71Å; R114-E293 IonicContact NE-OE1 2.69Å; R114-E293 IonicContact NE-OE2 3.08Å; R114-E293 PolarHBondContact NE-OE2 3.13Å; R114-E293 IonicContact NH2-OE2 2.88Å; R114-E293 PolarHBondContact NH2-OE2 2.72Å; K116-E293 IonicContact NZ-OE1 3.11Å; K116-E293 PolarHBondContact NZ-OE1 3.32Å; K116-E293 IonicContact NZ-OE2 2.75Å; D289-E293 WeakPolarHBondContact O-CB 3.39Å; D289-E293 PolarHBondContact O-N 3.3Å; E293-I297 HydrophobicContact CG-CD1 4.06Å; E293-I297 WeakPolarHBondContact O-CD1 3.39Å; E293-I297 VanDerWaalsContact O-CG1 3.23Å; E293-I297 WeakPolarHBondContact O-CG1 3.43Å; E293-I297 PolarHBondContact O-N 3.48Å; E293-I297 VanDerWaalsContact O-N 3.07Å
294A96.7Very high94.5Very high2 Ų267.6 Ų67.62%0.01733%0.33CS..Hα-helixtrans-65.6-41.9179.300000112.9I110 R114 L290 I291 T292 K298I110-A294 HydrophobicContact CB-CB 4.44Å; I110-A294 HydrophobicContact CG1-CB 4.07Å; I110-A294 HydrophobicContact CG2-CB 4.19Å; R114-A294 HydrophobicContact CG-CB 4.2Å; L290-A294 WeakPolarHBondContact O-CB 3.48Å; L290-A294 PolarHBondContact O-N 3.32Å; I291-A294 PolarHBondContact O-N 2.88Å; T292-A294 VanDerWaalsContact C-N 3.33Å; T292-A294 PolarHBondContact O-N 3.02Å; A294-K298 WeakPolarHBondContact O-CB 3.39Å; A294-K298 PolarHBondContact O-N 3.11Å
295M95.1Very high93.9Very high67 Ų6771.3 Ų71.333%0.3335%0.345SS..Hα-helixtrans-68.9-39.4178.5-69.7-170.3-38.900112.2T156 I291 T292 K298 A299T156-M295 HydrophobicContact CG2-SD 3.96Å; I291-M295 HydrophobicContact CG2-CE 4.2Å; I291-M295 HydrophobicContact CG2-CG 4.31Å; I291-M295 HydrophobicContact CG2-SD 4.06Å; I291-M295 WeakPolarHBondContact O-CB 3.48Å; I291-M295 VanDerWaalsContact O-CG 3.32Å; I291-M295 WeakPolarHBondContact O-CG 3.42Å; I291-M295 PolarHBondContact O-N 3.32Å; T292-M295 PolarHBondContact O-N 3.22Å; M295-K298 PolarHBondContact O-N 2.9Å; M295-A299 WeakPolarHBondContact O-CB 3.42Å; M295-A299 PolarHBondContact O-N 2.69Å
296E95.8Very high93.1Very high127 Ų12773 Ų7359%0.59335%0.346SS*.Hα-helixtrans-62.3-44.5175.2-75.1175.5-177.800111.2T292 K298 A299 K300T292-E296 HydrophobicContact CG2-CG 4.28Å; T292-E296 VanDerWaalsContact CG2-OE1 3.27Å; T292-E296 WeakPolarHBondContact CG2-OE1 3.47Å; T292-E296 WeakPolarHBondContact O-CB 3.41Å; T292-E296 WeakPolarHBondContact O-CG 3.49Å; T292-E296 PolarHBondContact O-N 3.26Å; E296-K298 VanDerWaalsContact C-N 3.31Å; E296-K298 PolarHBondContact O-N 2.84Å; E296-A299 PolarHBondContact O-N 3.14Å; E296-K300 WeakPolarHBondContact O-CB 3.14Å; E296-K300 PolarHBondContact O-N 2.99Å
297I94.8Very high92.4Very high47 Ų4777.2 Ų77.224%0.24136%0.359CS..Hα-helixtrans-61.9-42174.8-67.3166.2000110.7L113 R114 E293 K300 R301L113-I297 HydrophobicContact CB-CG2 4.4Å; L113-I297 HydrophobicContact CD2-CG2 4.22Å; R114-I297 HydrophobicContact CG-CD1 4.38Å; E293-I297 HydrophobicContact CG-CD1 4.06Å; E293-I297 WeakPolarHBondContact O-CD1 3.39Å; E293-I297 VanDerWaalsContact O-CG1 3.23Å; E293-I297 WeakPolarHBondContact O-CG1 3.43Å; E293-I297 PolarHBondContact O-N 3.48Å; E293-I297 VanDerWaalsContact O-N 3.07Å; I297-K300 PolarHBondContact O-N 3.35Å; I297-R301 WeakPolarHBondContact O-CG 3.39Å; I297-R301 PolarHBondContact O-N 2.89Å
298K91.8Very high91.6Very high77 Ų7783 Ų8334%0.33539%0.385SS..Hα-helixtrans-63.9-45.3179-171.8176.9-179.3175.70111.8L113 A294 M295 E296 R301 H302L113-K298 HydrophobicContact CD1-CB 4.24Å; A294-K298 WeakPolarHBondContact O-CB 3.39Å; A294-K298 PolarHBondContact O-N 3.11Å; M295-K298 PolarHBondContact O-N 2.9Å; E296-K298 VanDerWaalsContact C-N 3.31Å; E296-K298 PolarHBondContact O-N 2.84Å; K298-R301 PolarHBondContact O-N 2.81Å; K298-H302 PolarHBondContact O-N 3.4Å; K298-H302 VanDerWaalsContact O-N 3.1Å
299A90.8Very high90.6Very high49 Ų4979.2 Ų79.241%0.40538%0.376SS..Hα-helixtrans-62.7-46.6176.900000111.1M295 E296 R301 H302 E303M295-A299 WeakPolarHBondContact O-CB 3.42Å; M295-A299 PolarHBondContact O-N 2.69Å; E296-A299 PolarHBondContact O-N 3.14Å; A299-R301 PolarHBondContact O-N 3.37Å; A299-H302 WeakPolarHBondContact O-CB 3.43Å; A299-H302 PolarHBondContact O-N 3.11Å; A299-H302 VanDerWaalsContact O-N 3.11Å; A299-E303 WeakPolarHBondContact O-CG 3Å; A299-E303 PolarHBondContact O-N 3.38Å
300K92.4Very high89.7Confident125 Ų12578.2 Ų78.254%0.54337%0.368SS..Hα-helixtrans-59.4-43.9178-173.5178.5175.8-168.50112.6E296 I297 H302 E303 E304E296-K300 WeakPolarHBondContact O-CB 3.14Å; E296-K300 PolarHBondContact O-N 2.99Å; I297-K300 PolarHBondContact O-N 3.35Å; K300-H302 VanDerWaalsContact C-N 3.3Å; K300-H302 PolarHBondContact O-N 2.98Å; K300-E303 PolarHBondContact O-N 3.13Å; K300-E304 WeakPolarHBondContact CE-OE1 3.34Å; K300-E304 IonicContact NZ-OE1 3.76Å; K300-E304 WeakPolarHBondContact O-CB 3.3Å; K300-E304 WeakPolarHBondContact O-CG 3.35Å; K300-E304 PolarHBondContact O-N 3.48Å
301R89.6Confident88.5Confident127 Ų12783.5 Ų83.548%0.47939%0.392SS..Hα-helixtrans-63.8-35.8176.1-74.8-175.6-171.4-172.15.8112.6I297 K298 A299 Q305I297-R301 WeakPolarHBondContact O-CG 3.39Å; I297-R301 PolarHBondContact O-N 2.89Å; K298-R301 PolarHBondContact O-N 2.81Å; A299-R301 PolarHBondContact O-N 3.37Å; R301-Q305 VanDerWaalsContact O-CB 3.27Å; R301-Q305 WeakPolarHBondContact O-CB 3.26Å; R301-Q305 PolarHBondContact O-N 2.87Å
302H85.4Confident87.1Confident62 Ų6287.9 Ų87.929%0.28741%0.413SS..Hα-helixtrans-68.6-43.2176.5-174.6-86.3000111.4E31 K298 A299 K300 Q305 Q306E31-H302 IonicContact OE2-NE2 2.94Å; K298-H302 PolarHBondContact O-N 3.4Å; K298-H302 VanDerWaalsContact O-N 3.1Å; A299-H302 WeakPolarHBondContact O-CB 3.43Å; A299-H302 PolarHBondContact O-N 3.11Å; A299-H302 VanDerWaalsContact O-N 3.11Å; K300-H302 VanDerWaalsContact C-N 3.3Å; K300-H302 PolarHBondContact O-N 2.98Å; H302-Q305 PolarHBondContact O-N 3.04Å; H302-Q306 PolarHBondContact CE1-NE2 3.35Å; H302-Q306 VanDerWaalsContact CE1-NE2 3.26Å; H302-Q306 PolarHBondContact CE1-OE1 2.88Å; H302-Q306 PolarHBondContact ND1-OE1 2.71Å; H302-Q306 WeakPolarHBondContact O-CB 3.5Å; H302-Q306 WeakPolarHBondContact O-CG 3.36Å; H302-Q306 PolarHBondContact O-N 3.2Å
303E88.7Confident85.5Confident99 Ų9988.2 Ų88.246%0.46341%0.41SS..Hα-helixtrans-62.8-41.8174.3-70.1174.8-163.900112.2A299 K300 Q306 R307A299-E303 WeakPolarHBondContact O-CG 3Å; A299-E303 PolarHBondContact O-N 3.38Å; K300-E303 PolarHBondContact O-N 3.13Å; E303-Q306 PolarHBondContact O-N 3.15Å; E303-R307 WeakPolarHBondContact O-CG 3.46Å; E303-R307 PolarHBondContact O-N 2.9Å
304E88.6Confident83.7Confident84 Ų8492.1 Ų92.139%0.39343%0.428SS..Hα-helixtrans-62.2-46.7174.7-74.9171.3170.400110.9K300 Q306 R307 E308K300-E304 WeakPolarHBondContact CE-OE1 3.34Å; K300-E304 IonicContact NZ-OE1 3.76Å; K300-E304 WeakPolarHBondContact O-CB 3.3Å; K300-E304 WeakPolarHBondContact O-CG 3.35Å; K300-E304 PolarHBondContact O-N 3.48Å; E304-Q306 VanDerWaalsContact C-N 3.34Å; E304-Q306 PolarHBondContact O-N 3.14Å; E304-R307 PolarHBondContact O-N 3.33Å; E304-E308 WeakPolarHBondContact O-CG 3.4Å; E304-E308 PolarHBondContact O-N 3.42Å
305Q84.2Confident81.7Confident120 Ų12096.7 Ų96.756%0.56145%0.452SS*.Hα-helixtrans-65-36.4178.5-170.5170.626.600112.5R301 H302 L309R301-Q305 VanDerWaalsContact O-CB 3.27Å; R301-Q305 WeakPolarHBondContact O-CB 3.26Å; R301-Q305 PolarHBondContact O-N 2.87Å; H302-Q305 PolarHBondContact O-N 3.04Å; Q305-L309 HydrophobicContact CG-CD1 4.49Å; Q305-L309 WeakPolarHBondContact O-CD1 3.38Å; Q305-L309 WeakPolarHBondContact O-CG 3.23Å; Q305-L309 PolarHBondContact O-N 3.17Å
306Q81.2Confident79.9Confident92 Ų9294.7 Ų94.743%0.4345%0.445SS..Hα-helixtrans-67.2-42.7174-76.8-174.5-45.900111.9H302 E303 E304 L309 E310H302-Q306 PolarHBondContact CE1-NE2 3.35Å; H302-Q306 VanDerWaalsContact CE1-NE2 3.26Å; H302-Q306 PolarHBondContact CE1-OE1 2.88Å; H302-Q306 PolarHBondContact ND1-OE1 2.71Å; H302-Q306 WeakPolarHBondContact O-CB 3.5Å; H302-Q306 WeakPolarHBondContact O-CG 3.36Å; H302-Q306 PolarHBondContact O-N 3.2Å; E303-Q306 PolarHBondContact O-N 3.15Å; E304-Q306 VanDerWaalsContact C-N 3.34Å; E304-Q306 PolarHBondContact O-N 3.14Å; Q306-L309 PolarHBondContact O-N 3.45Å; Q306-E310 WeakPolarHBondContact O-CG 3.48Å; Q306-E310 PolarHBondContact O-N 2.68Å
307R84.4Confident77.6Confident143 Ų14392.2 Ų92.254%0.5444%0.436SS..Hα-helixtrans-64.5-39.6175.7-74.2-179-167.3160.511112.7E303 E304 L309 E310 E311E303-R307 WeakPolarHBondContact O-CG 3.46Å; E303-R307 PolarHBondContact O-N 2.9Å; E304-R307 PolarHBondContact O-N 3.33Å; R307-L309 VanDerWaalsContact C-N 3.27Å; R307-L309 PolarHBondContact O-N 3.27Å; R307-E310 PolarHBondContact O-N 3.48Å; R307-E311 WeakPolarHBondContact O-CB 3.36Å; R307-E311 WeakPolarHBondContact O-CG 3.47Å; R307-E311 PolarHBondContact O-N 3.27Å
308E80.9Confident75.3Confident121 Ų12196.7 Ų96.757%0.56546%0.456SS*.Hα-helixtrans-61.1-38.8175.3-74.6174-179.200111.1E304 E312E304-E308 WeakPolarHBondContact O-CG 3.4Å; E304-E308 PolarHBondContact O-N 3.42Å; E308-E312 WeakPolarHBondContact O-CB 3.38Å; E308-E312 VanDerWaalsContact O-CG 3.31Å; E308-E312 WeakPolarHBondContact O-CG 3.4Å; E308-E312 PolarHBondContact O-N 2.78Å
309L77.4Confident73.2Confident73 Ų7399.1 Ų99.138%0.38247%0.472SS..Hα-helixtrans-69.1-40.2175.1-67.1166.2000112.3Q305 Q306 R307 E312 E313Q305-L309 HydrophobicContact CG-CD1 4.49Å; Q305-L309 WeakPolarHBondContact O-CD1 3.38Å; Q305-L309 WeakPolarHBondContact O-CG 3.23Å; Q305-L309 PolarHBondContact O-N 3.17Å; Q306-L309 PolarHBondContact O-N 3.45Å; R307-L309 VanDerWaalsContact C-N 3.27Å; R307-L309 PolarHBondContact O-N 3.27Å; L309-E312 PolarHBondContact O-N 2.94Å; L309-E313 WeakPolarHBondContact O-CG 3.35Å; L309-E313 PolarHBondContact O-N 3.26Å; L309-E313 VanDerWaalsContact O-N 3.15Å
310E77Confident71.1Confident112 Ų112101.4 Ų101.452%0.52348%0.475SS..Hα-helixtrans-67.2-42.1176.1-72.1170.3-174.900111.7Q306 R307 E313 E314Q306-E310 WeakPolarHBondContact O-CG 3.48Å; Q306-E310 PolarHBondContact O-N 2.68Å; R307-E310 PolarHBondContact O-N 3.48Å; E310-E313 PolarHBondContact O-N 2.81Å; E310-E314 PolarHBondContact O-N 2.9Å
311E71.9Confident68.7Low112 Ų112101.8 Ų101.852%0.52348%0.482SS..Hα-helixtrans-67-34.5176-74.3179-167.300111.9R307 E313 N315R307-E311 WeakPolarHBondContact O-CB 3.36Å; R307-E311 WeakPolarHBondContact O-CG 3.47Å; R307-E311 PolarHBondContact O-N 3.27Å; E311-E313 VanDerWaalsContact C-N 3.3Å; E311-N315 WeakPolarHBondContact O-CB 3.42Å; E311-N315 PolarHBondContact O-N 3.17Å; E311-N315 PolarHBondContact O-ND2 2.62Å
312E67.1Low66.2Low94 Ų94102.5 Ų102.544%0.43950%0.495SS..Hα-helixtrans-65.7-32.4171.5-80.2-177.5-175.400112.4E308 L309 S316 P426E308-E312 WeakPolarHBondContact O-CB 3.38Å; E308-E312 VanDerWaalsContact O-CG 3.31Å; E308-E312 WeakPolarHBondContact O-CG 3.4Å; E308-E312 PolarHBondContact O-N 2.78Å; L309-E312 PolarHBondContact O-N 2.94Å; E312-S316 PolarHBondContact O-N 2.73Å; E312-P426 HydrophobicContact CB-CB 4.33Å
313E63.8Low64.2Low66 Ų66103.8 Ų103.831%0.30851%0.511SS..Hα-helixtrans-74.6-47.9174.4-73.5179.8174.400111.7L309 E310 E311 N315 S316 D317 N428L309-E313 WeakPolarHBondContact O-CG 3.35Å; L309-E313 PolarHBondContact O-N 3.26Å; L309-E313 VanDerWaalsContact O-N 3.15Å; E310-E313 PolarHBondContact O-N 2.81Å; E311-E313 VanDerWaalsContact C-N 3.3Å; E313-N315 PolarHBondContact O-N 3.38Å; E313-S316 WeakPolarHBondContact O-CB 3.49Å; E313-S316 PolarHBondContact O-N 3.08Å; E313-S316 VanDerWaalsContact O-N 3.08Å; E313-S316 PolarHBondContact O-OG 2.62Å; E313-D317 PolarHBondContact O-N 2.85Å; E313-N428 PolarHBondContact OE1-ND2 3.31Å
314E59.5Low62Low136 Ų136107 Ų10764%0.63653%0.526SS*.Hα-helixtrans-64.2-39.6179.2-73.2-173169.900112.9E310 S316 D317 E318E310-E314 PolarHBondContact O-N 2.9Å; E314-S316 PolarHBondContact O-N 3.16Å; E314-D317 PolarHBondContact O-N 3.5Å; E314-D317 VanDerWaalsContact O-N 3.15Å; E314-E318 PolarHBondContact O-N 3.2Å
315N56Low59.7Low97 Ų97108.3 Ų108.352%0.51954%0.54SS..Hα-helixtrans-67.7-23.9175.3-74.5-55.8000112.5E311 E313 D317E311-N315 WeakPolarHBondContact O-CB 3.42Å; E311-N315 PolarHBondContact O-N 3.17Å; E311-N315 PolarHBondContact O-ND2 2.62Å; E313-N315 PolarHBondContact O-N 3.38Å; N315-D317 VanDerWaalsContact C-N 3.33Å
316S55.6Low57.5Low25 Ų25110.8 Ų110.818%0.17555%0.553CS.*Hα-helixtrans-74.3-25.2173.977.60000112.8E312 E313 E314E312-S316 PolarHBondContact O-N 2.73Å; E313-S316 WeakPolarHBondContact O-CB 3.49Å; E313-S316 PolarHBondContact O-N 3.08Å; E313-S316 VanDerWaalsContact O-N 3.08Å; E313-S316 PolarHBondContact O-OG 2.62Å; E314-S316 PolarHBondContact O-N 3.16Å
317D48.7Very low55.4Low76 Ų76112.7 Ų112.741%0.40657%0.571SS.*Hα-helixtrans-84.2-33.1178.2-72.4-18.8000112.9E313 E314 N315 E320E313-D317 PolarHBondContact O-N 2.85Å; E314-D317 PolarHBondContact O-N 3.5Å; E314-D317 VanDerWaalsContact O-N 3.15Å; N315-D317 VanDerWaalsContact C-N 3.33Å; D317-E320 PolarHBondContact O-N 3.3Å
318E46.2Very low52.9Low140 Ų140114.9 Ų114.965%0.65458%0.584SS**Hα-helixtrans-69.7-31.8176.9-70.9-160.3162.600113E314 E320 L321E314-E318 PolarHBondContact O-N 3.2Å; E318-E320 VanDerWaalsContact C-N 3.28Å; E318-E320 PolarHBondContact O-N 2.73Å; E318-L321 PolarHBondContact O-N 3.3Å
319D46.8Very low50.3Low129 Ų129115.2 Ų115.269%0.6960%0.595SS**Hα-helixtrans-70.5-18.9176.5-85.2-20.4000113.1
320E47.6Very low48Very low97 Ų97117.2 Ų117.245%0.45362%0.615SS.*Hα-helixtrans-79.6-30.1171.7-79.1-155152.100112.6D317 E318 S323 K453D317-E320 PolarHBondContact O-N 3.3Å; E318-E320 VanDerWaalsContact C-N 3.28Å; E318-E320 PolarHBondContact O-N 2.73Å; E320-S323 PolarHBondContact O-OG 2.92Å; E320-K453 IonicContact OE1-NZ 3.72Å
321L41.4Very low45.8Very low133 Ų133118 Ų11870%0.69663%0.627SS**Hα-helixtrans-79.3-26.3-174.2-84.8152000114.3E318 S323E318-L321 PolarHBondContact O-N 3.3Å; L321-S323 VanDerWaalsContact C-N 3.27Å; L321-S323 PolarHBondContact O-N 3.49Å
322D37.3Very low43.8Very low141 Ų141121.4 Ų121.475%0.75464%0.643SS**G310 helixtrans-83.1-2.5-178.8-142.119.6000113.5H324D322-H324 VanDerWaalsContact C-N 3.3Å; D322-H324 PolarHBondContact O-N 2.86Å
323S44Very low42Very low89 Ų89122.1 Ų122.162%0.62266%0.658SS**G310 helixtrans-79.1-5.7175.870.50000114.5E320 L321E320-S323 PolarHBondContact O-OG 2.92Å; L321-S323 VanDerWaalsContact C-N 3.27Å; L321-S323 PolarHBondContact O-N 3.49Å
324H41.6Very low40.3Very low167 Ų167125.8 Ų125.877%0.77369%0.685SS**G310 helixtrans-113.62.8-172.9-84.2-55000117.4D322D322-H324 VanDerWaalsContact C-N 3.3Å; D322-H324 PolarHBondContact O-N 2.86Å
325T41.2Very low38.8Very low111 Ų111123 Ų12368%0.68169%0.694SS**  trans-120.269.4-178.7-48.90000113.8
326M37.1Very low37.4Very low172 Ų172124.6 Ų124.685%0.84771%0.707SS**  trans-13281.6159.6-84.5-74.7-104.400110.6K328M326-K328 PolarHBondContact O-N 3.39Å
327V37.1Very low36.2Very low132 Ų132131.4 Ų131.480%0.874%0.738SS**  trans-75.2115.5164.8175.80000108.5
328K32Very low35.2Very low189 Ų189139 Ų13982%0.82276%0.76SS**  trans-114.5125.8161.8-102.9-178.6179.8174.40110.8M326M326-K328 PolarHBondContact O-N 3.39Å
329T27.7Very low34.3Very low129 Ų129135.9 Ų135.979%0.79176%0.759SS**  trans-63.7145.6-175.345.90000114.5
330S28.7Very low33.2Very low115 Ų115135.7 Ų135.780%0.80476%0.763SS**  trans-64.4147.9179.6-450000115.3
331V30.3Very low32.2Very low129 Ų129136.2 Ų136.278%0.78278%0.777SS**  trans-146.4113.6141.8-153.50000110.6
332E31.1Very low31.6Very low182 Ų182136 Ų13685%0.8578%0.781SS**  trans37.6124.7146.7-57177.2168.700122.8
333S27.8Very low31.1Very low109 Ų109137.6 Ų137.676%0.76279%0.786SS**  164.4114.8104.8-172.40000114.2
334V29.3Very low30.4Very low143 Ų143138.5 Ų138.587%0.86779%0.793SS**  trans55.9121.4139-170.20000121.7
335G28.3Very low29.8Very low79 Ų79139.5 Ų139.581%0.81480%0.798SS**  trans173.886.3157.300000115.4
336T26.2Very low29Very low129 Ų129137.8 Ų137.879%0.79180%0.803SS**  trans-72.1142.5-179.8-55.60000114.2
337M29.5Very low28.6Very low168 Ų168134 Ų13483%0.82880%0.798SS**  171.3132.4123.5-84.2-84.4-88.600114.6
338R27.7Very low28.1Very low235 Ų235136.2 Ų136.289%0.88780%0.8SS**  trans-25.8171.3162.8-72.8173.9171.5-177-3.1119
339A26.9Very low27.9Very low76 Ų76133.9 Ų133.963%0.62880%0.802SS**  cis176.3167.6-21.200000107.6
340T25.4Very low27.8Very low125 Ų125135.4 Ų135.477%0.76780%0.802SS**  trans82.2113.615365.90000122.7
341S26.5Very low27.9Very low107 Ų107138 Ų13875%0.74881%0.805SS**  59.7147.1124.2-26.10000119.4
342T27.4Very low27.7Very low128 Ų128139 Ų13979%0.78580%0.801SS**  cis-173.8143.927240000109.7
343M28Very low27.5Very low175 Ų175139.3 Ų139.386%0.86280%0.802SS**  trans46.8149.7134.4-60.3-78.183.800126.1
344S29.3Very low27.4Very low108 Ų108140.4 Ų140.476%0.75580%0.799SS**  trans85.2149.9153.9155.80000118.9
345E28.4Very low27.3Very low188 Ų188138.8 Ų138.888%0.87980%0.795SS**  cis180151.5-32.4-129.8-175.9175.500105.1
346G25.4Very low27.3Very low76 Ų76141.8 Ų141.878%0.78480%0.797SS**  trans119.3116.3144.400000122.4
347A27.9Very low27.4Very low92 Ų92144.4 Ų144.476%0.7680%0.803SS**  trans72.2112141.900000121.3
348Q26Very low27.3Very low178 Ų178145 Ų14583%0.83281%0.808SS**  59.4120.986.8-67.5-172.5-2.400114.3
349T28.1Very low27.3Very low141 Ų141142.6 Ų142.687%0.86581%0.807SS**  -174.415884.98.70000113.5
350M26.5Very low27.5Very low161 Ų161144.1 Ų144.179%0.79381%0.813SS**  trans-63.9161.3177-60-108.5-7400115.3
351I29.5Very low27.6Very low170 Ų170145.7 Ų145.787%0.87282%0.817SS**  -165.8133.9126.8-88.7147.1000110
352E25.7Very low27.8Very low149 Ų149149.2 Ų149.270%0.69683%0.826SS**  trans-105.6146.1175-174.2-177.4-150.200108.3
353H28.3Very low27.9Very low188 Ų188146.7 Ų146.787%0.8783%0.826SS**  trans-160.9123.2149.4-108.1-69.3000112.8
354N26.3Very low27.8Very low132 Ų132144.5 Ų144.571%0.70682%0.823SS**  trans-71.2156170.7-82.8-34.8000114.2
355S25.4Very low27.8Very low109 Ų109148.2 Ų148.276%0.76283%0.83SS**  trans152.6130.9131.2-65.80000108.4
356T29.9Very low27.7Very low142 Ų142144.9 Ų144.987%0.87182%0.822SS**  -158.814459.2190000112.8
357M26.9Very low27.8Very low184 Ų184148.4 Ų148.491%0.90682%0.822SS**  trans-73.6146.1164.2-67.1-170.9156.800112
358L28.6Very low27.7Very low180 Ų180151.6 Ų151.694%0.94283%0.826SS**  trans-146.1114.6148.1-85.8175.8000110.2
359E26.6Very low27.7Very low186 Ų186147.2 Ų147.287%0.86982%0.815SS**  trans-81.9141.6165.1-129.8175.1177.300108.9
360S31.2Very low27.7Very low107 Ų107148.3 Ų148.375%0.74881%0.811SS**  trans176.7128.7139.255.30000113.7
361D28.4Very low27.8Very low159 Ų159146.8 Ų146.885%0.8581%0.805SS**  trans80.181.9143.1-64.1-12.1000121.4
362L30.8Very low27.8Very low180 Ų180146.5 Ų146.594%0.94280%0.8SS**  trans-80.7103.9149.2-82.8158.5000109.5
363G28Very low27.9Very low76 Ų76146.5 Ų146.578%0.78480%0.801SS**  trans-74.8120.7175.300000113
364T27.2Very low27.9Very low129 Ų129145.1 Ų145.179%0.79180%0.795SS**  trans-60130.6162.3-60.30000110.8V366T364-V366 HydrophobicContact CG2-CG2 4.11Å
365M29.1Very low28Very low185 Ų185146.5 Ų146.591%0.91180%0.797SS**  trans-109.3114.8168.7-162.8173.4-6800110.6
366V26.9Very low28.1Very low118 Ų118148.4 Ų148.472%0.71580%0.798SS**  trans-95.1138.4173.7171.10000108.6T364T364-V366 HydrophobicContact CG2-CG2 4.11Å
367I27.2Very low28Very low151 Ų151144.6 Ų144.677%0.77479%0.787SS**  trans-69.9136.9174.9-57.7161.6000109.4
368N25.4Very low28Very low158 Ų158142.6 Ų142.685%0.84579%0.786SS**  trans-152.8151.3146.5-93.4-18.8000110.4
369S26.2Very low27.8Very low86 Ų86142.6 Ų142.660%0.60178%0.783SS**  trans-94.9173.8-158.344.40000114.9
370E28.2Very low27.9Very low165 Ų165143.6 Ų143.677%0.77178%0.784SS**  trans76.1140.1161-63159-148.300115
371D27.9Very low27.8Very low128 Ų128150.1 Ų150.168%0.68479%0.792SS**  cis-175.7166.20.5-106.1-23.5000107.2
372E30.1Very low27.6Very low164 Ų164150 Ų15077%0.76679%0.792SS**  trans68.3146.5157-68.7168.4-162.100118.5
373E28.6Very low27.8Very low150 Ų150146.4 Ų146.470%0.70179%0.788SS**  cis-175.6155.8-10.9-107.9178.1-174.500104.3
374E27.6Very low27.8Very low159 Ų159148.9 Ų148.974%0.74379%0.788SS**  trans32.9141.6145.5-54.8-174.2167.300119.9
375E27.6Very low27.8Very low161 Ų161148.4 Ų148.475%0.75279%0.79SS**  cis179.8158.330.3-137.9-180-179.700107.6
376D27.1Very low28.1Very low149 Ų149145.2 Ų145.280%0.79778%0.783SS**  trans63.9133.3141.7-124-0.7000123.9
377G28.9Very low28.3Very low61 Ų61148.3 Ų148.363%0.62979%0.79SS**  trans-83.2145.9176.100000112.7
378T26.2Very low28.7Very low143 Ų143147.6 Ų147.688%0.87779%0.792SS**  trans-153.8123.3152.7-9.20000111.3
379M25.7Very low29.5Very low180 Ų180148.7 Ų148.789%0.88779%0.792SS**  trans-54.3134.6176.3-64.2-173.9-56.400112.8
380K27.8Very low30.6Very low206 Ų206150.6 Ų150.690%0.89679%0.786SS**  trans-136.3116.7147.2-82.3-172.6177.9172.50110.3
381R28.3Very low31.7Very low244 Ų244147 Ų14792%0.92178%0.777SS**  trans-70.5122.2165.7-76.4177.2174.8170.1-1.7108.3
382N25.7Very low32.5Very low158 Ų158145.8 Ų145.885%0.84578%0.778SS**  trans-123.3122.8157-99.5-6.5000108.8T384N382-T384 PolarHBondContact O-N 3.4Å
383A34.2Very low33.4Very low103 Ų103144.4 Ų144.485%0.85177%0.77SS**  trans-79.2108.3179.800000109.7
384T28.6Very low34.5Very low129 Ų129142.1 Ų142.179%0.79176%0.761SS**  trans-152.7114.1159.314.70000107.5N382N382-T384 PolarHBondContact O-N 3.4Å
385S27.8Very low35.8Very low118 Ų118138.2 Ų138.283%0.82575%0.745SS**  trans-56.1127.5-179-49.70000111.2Q387S385-Q387 PolarHBondContact O-N 2.86Å
386P33.6Very low36.9Very low118 Ų118137.2 Ų137.277%0.76674%0.735SS**  trans-73.8115.5168.926.1-25.6000108.4V388P386-V388 PolarHBondContact O-N 3.19Å; P386-V388 VanDerWaalsContact O-N 3.12Å
387Q32.6Very low38Very low184 Ų184134.7 Ų134.786%0.8672%0.717SS**  trans-58.4113.9164.5-82.4-177.1-28.600108S385 Q389S385-Q387 PolarHBondContact O-N 2.86Å; Q387-Q389 PolarHBondContact O-N 3.02Å
388V35.5Very low39.2Very low136 Ų136134.8 Ų134.882%0.82470%0.703SS**  trans-63.3104.3167.2179.10000106.6P386 R390P386-V388 PolarHBondContact O-N 3.19Å; P386-V388 VanDerWaalsContact O-N 3.12Å; V388-R390 PolarHBondContact O-N 3.33Å; V388-R390 VanDerWaalsContact O-N 3.12Å
389Q41.3Very low40.3Very low180 Ų180135.2 Ų135.284%0.84169%0.693SS**  trans-66.5110.5170.5-83.3-177.4-18.700108.2Q387 P391Q387-Q389 PolarHBondContact O-N 3.02Å; Q389-P391 WeakPolarHBondContact O-CD 3.42Å
390R49.5Very low41.5Very low126 Ų126131 Ų13148%0.47567%0.671SS.*  trans-67.4123.3175.1-169.3179.6-169.2-162.5-0.6108.4V388 M394 D395 D398V388-R390 PolarHBondContact O-N 3.33Å; V388-R390 VanDerWaalsContact O-N 3.12Å; R390-M394 HydrophobicContact CG-CB 3.94Å; R390-M394 HydrophobicContact CG-CG 4.39Å; R390-D395 IonicContact NH1-OD1 3.63Å; R390-D398 IonicContact CZ-OD2 3.19Å; R390-D398 IonicContact NH1-OD2 2.79Å; R390-D398 PolarHBondContact NH1-OD2 3.36Å; R390-D398 IonicContact NH2-OD1 3.35Å; R390-D398 PolarHBondContact NH2-OD1 3.15Å; R390-D398 IonicContact NH2-OD2 2.73Å; R390-D398 PolarHBondContact NH2-OD2 3.02Å
391P52.5Low42.3Very low90 Ų90125.8 Ų125.858%0.58465%0.653SS**  trans-61.3138.3176.5-22.233.1000111.4Q389 F393 M394Q389-P391 WeakPolarHBondContact O-CD 3.42Å; P391-F393 PolarHBondContact O-N 3.26Å; P391-F393 VanDerWaalsContact O-N 3.08Å; P391-M394 WeakPolarHBondContact O-CB 3.5Å; P391-M394 PolarHBondContact O-N 3.39Å
392S43.8Very low42.9Very low102 Ų102122 Ų12271%0.71364%0.644SS**THydrogen-bonded Turntrans-60.8-21.5-172.761.40000114.8M394 D395S392-M394 PolarHBondContact O-N 3.23Å; S392-D395 PolarHBondContact O-N 3.08Å
393F49.5Very low43.7Very low136 Ų136122.1 Ų122.160%0.59664%0.637SS**THydrogen-bonded Turntrans-65.7-25.7174.5176.5-114.3000112.7P391 D395 Y396 F397P391-F393 PolarHBondContact O-N 3.26Å; P391-F393 VanDerWaalsContact O-N 3.08Å; F393-D395 PolarHBondContact O-N 2.93Å; F393-Y396 VanDerWaalsContact O-CB 3.29Å; F393-Y396 WeakPolarHBondContact O-CB 3.25Å; F393-Y396 PolarHBondContact O-N 3.19Å; F393-Y396 VanDerWaalsContact O-N 3.16Å; F393-F397 HydrophobicContact CD1-CD2 4.4Å; F393-F397 AromaticContact CD1-CE2 3.74Å; F393-F397 HydrophobicContact CD1-CE2 3.74Å; F393-F397 AromaticContact CD2-CE2 3.99Å; F393-F397 HydrophobicContact CD2-CE2 3.99Å; F393-F397 HydrophobicContact CE1-CD2 4.25Å; F393-F397 AromaticContact CE1-CE2 3.24Å; F393-F397 HydrophobicContact CE1-CE2 3.24Å; F393-F397 AromaticContact CE1-CZ 3.81Å; F393-F397 HydrophobicContact CE1-CZ 3.81Å; F393-F397 AromaticContact CE2-CE2 3.51Å; F393-F397 HydrophobicContact CE2-CE2 3.51Å; F393-F397 AromaticContact CE2-CZ 3.98Å; F393-F397 HydrophobicContact CE2-CZ 3.98Å; F393-F397 HydrophobicContact CG-CE2 4.12Å; F393-F397 HydrophobicContact CZ-CD2 4.4Å; F393-F397 AromaticContact CZ-CE2 3.15Å; F393-F397 HydrophobicContact CZ-CE2 3.15Å; F393-F397 AromaticContact CZ-CZ 3.42Å; F393-F397 HydrophobicContact CZ-CZ 3.42Å; F393-F397 VanDerWaalsContact CZ-CZ 3.42Å; F393-F397 WeakPolarHBondContact O-CD2 3.28Å
394M51Low44.1Very low101 Ų101122.8 Ų122.850%0.49863%0.626SS.*Hα-helixtrans-67.3-27177.5-137.587.4168.600112.2R390 P391 S392 Y396 F397 D398R390-M394 HydrophobicContact CG-CB 3.94Å; R390-M394 HydrophobicContact CG-CG 4.39Å; P391-M394 WeakPolarHBondContact O-CB 3.5Å; P391-M394 PolarHBondContact O-N 3.39Å; S392-M394 PolarHBondContact O-N 3.23Å; M394-Y396 VanDerWaalsContact C-N 3.26Å; M394-Y396 PolarHBondContact O-N 3.02Å; M394-F397 PolarHBondContact O-N 3.33Å; M394-D398 PolarHBondContact O-N 3.4Å
395D54.9Low44.5Very low78 Ų78124.5 Ų124.542%0.41762%0.623SS.*Hα-helixtrans-74.7-17.1176.9-64-29.4000112.5R390 S392 F393 K399R390-D395 IonicContact NH1-OD1 3.63Å; S392-D395 PolarHBondContact O-N 3.08Å; F393-D395 PolarHBondContact O-N 2.93Å; D395-K399 WeakPolarHBondContact O-CG 3.47Å; D395-K399 PolarHBondContact O-N 2.91Å
396Y51.3Low44.9Very low140 Ų140123.2 Ų123.255%0.54961%0.613SS.*Hα-helixtrans-72.2-37.8173.9-173.3-93.4000111.4F393 M394 Q400F393-Y396 VanDerWaalsContact O-CB 3.29Å; F393-Y396 WeakPolarHBondContact O-CB 3.25Å; F393-Y396 PolarHBondContact O-N 3.19Å; F393-Y396 VanDerWaalsContact O-N 3.16Å; M394-Y396 VanDerWaalsContact C-N 3.26Å; M394-Y396 PolarHBondContact O-N 3.02Å; Y396-Q400 PolarHBondContact O-N 2.8Å
397F49.3Very low45Very low95 Ų95125.5 Ų125.542%0.41761%0.614SS.*Hα-helixtrans-75-40.5178.9-70.7-87.6000112.9F393 M394 K399 Q400 D401F393-F397 HydrophobicContact CD1-CD2 4.4Å; F393-F397 AromaticContact CD1-CE2 3.74Å; F393-F397 HydrophobicContact CD1-CE2 3.74Å; F393-F397 AromaticContact CD2-CE2 3.99Å; F393-F397 HydrophobicContact CD2-CE2 3.99Å; F393-F397 HydrophobicContact CE1-CD2 4.25Å; F393-F397 AromaticContact CE1-CE2 3.24Å; F393-F397 HydrophobicContact CE1-CE2 3.24Å; F393-F397 AromaticContact CE1-CZ 3.81Å; F393-F397 HydrophobicContact CE1-CZ 3.81Å; F393-F397 AromaticContact CE2-CE2 3.51Å; F393-F397 HydrophobicContact CE2-CE2 3.51Å; F393-F397 AromaticContact CE2-CZ 3.98Å; F393-F397 HydrophobicContact CE2-CZ 3.98Å; F393-F397 HydrophobicContact CG-CE2 4.12Å; F393-F397 HydrophobicContact CZ-CD2 4.4Å; F393-F397 AromaticContact CZ-CE2 3.15Å; F393-F397 HydrophobicContact CZ-CE2 3.15Å; F393-F397 AromaticContact CZ-CZ 3.42Å; F393-F397 HydrophobicContact CZ-CZ 3.42Å; F393-F397 VanDerWaalsContact CZ-CZ 3.42Å; F393-F397 WeakPolarHBondContact O-CD2 3.28Å; M394-F397 PolarHBondContact O-N 3.33Å; F397-K399 PolarHBondContact O-N 3.14Å; F397-Q400 PolarHBondContact O-N 3.1Å; F397-D401 PolarHBondContact O-N 3.13Å
398D55.1Low45Very low63 Ų63124.7 Ų124.734%0.33761%0.61SS.*Hα-helixtrans-60.8-33.1176.4-71.9-9.6000111.4R390 M394 F402R390-D398 IonicContact CZ-OD2 3.19Å; R390-D398 IonicContact NH1-OD2 2.79Å; R390-D398 PolarHBondContact NH1-OD2 3.36Å; R390-D398 IonicContact NH2-OD1 3.35Å; R390-D398 PolarHBondContact NH2-OD1 3.15Å; R390-D398 IonicContact NH2-OD2 2.73Å; R390-D398 PolarHBondContact NH2-OD2 3.02Å; M394-D398 PolarHBondContact O-N 3.4Å; D398-F402 WeakPolarHBondContact O-CD2 3.34Å; D398-F402 PolarHBondContact O-N 3.35Å; D398-F402 VanDerWaalsContact O-N 3.14Å
399K48.4Very low45Very low152 Ų152126.1 Ų126.166%0.66161%0.613SS**Hα-helixtrans-73.4-26.8175.4-78.1176.3179.8170.90113.6D395 F397 K403D395-K399 WeakPolarHBondContact O-CG 3.47Å; D395-K399 PolarHBondContact O-N 2.91Å; F397-K399 PolarHBondContact O-N 3.14Å; K399-K403 PolarHBondContact O-N 3.46Å
400Q52.1Low44.4Very low91 Ų91123.1 Ų123.143%0.42561%0.61SS.*Hα-helixtrans-77.3-38.3172.2-75.8-165.63.400111.5Y396 F397 F402 K403 N404Y396-Q400 PolarHBondContact O-N 2.8Å; F397-Q400 PolarHBondContact O-N 3.1Å; Q400-F402 VanDerWaalsContact C-N 3.32Å; Q400-F402 PolarHBondContact O-N 3.21Å; Q400-K403 PolarHBondContact O-N 3.08Å; Q400-K403 VanDerWaalsContact O-N 3.15Å; Q400-N404 PolarHBondContact O-N 3.44Å; Q400-N404 VanDerWaalsContact O-N 3.08Å
401D44Very low43.4Very low97 Ų97124 Ų12452%0.51963%0.625SS.*Hα-helixtrans-66.1-32176.3-79.7-21.1000113F397 K405F397-D401 PolarHBondContact O-N 3.13Å; D401-K405 PolarHBondContact O-N 3.14Å
402F40.3Very low42.7Very low165 Ų165128.9 Ų128.972%0.72464%0.64SS**Hα-helixtrans-73-28.9172.6-99.6-83.6000113.7D398 Q400D398-F402 WeakPolarHBondContact O-CD2 3.34Å; D398-F402 PolarHBondContact O-N 3.35Å; D398-F402 VanDerWaalsContact O-N 3.14Å; Q400-F402 VanDerWaalsContact C-N 3.32Å; Q400-F402 PolarHBondContact O-N 3.21Å
403K42.6Very low41.9Very low160 Ų160131.3 Ų131.370%0.69665%0.645SS**Hα-helixtrans-75.5-29.2174.3-84.2-177.4173.7-1780112.7K399 Q400 S406K399-K403 PolarHBondContact O-N 3.46Å; Q400-K403 PolarHBondContact O-N 3.08Å; Q400-K403 VanDerWaalsContact O-N 3.15Å; K403-S406 PolarHBondContact O-OG 3.03Å
404N41.8Very low41.2Very low117 Ų117133.7 Ų133.763%0.62666%0.66SS**Hα-helixtrans-80-22.5176.5-77.7-10.5000113.5Q400Q400-N404 PolarHBondContact O-N 3.44Å; Q400-N404 VanDerWaalsContact O-N 3.08Å
405K38.4Very low40.1Very low166 Ų166137.6 Ų137.672%0.72268%0.676SS**THydrogen-bonded Turntrans-79.1-11.9177-82.5179.5177.4171.30115.5D401D401-K405 PolarHBondContact O-N 3.14Å
406S36.1Very low38.8Very low90 Ų90141.9 Ų141.963%0.62969%0.694SS**THydrogen-bonded Turntrans-97.10.6-179.248.80000114.7K403K403-S406 PolarHBondContact O-OG 3.03Å
407H34.8Very low37.8Very low167 Ų167141 Ų14177%0.77371%0.705SS**  trans-118.214179.3-94.2-64.2000115.2N409H407-N409 PolarHBondContact O-N 3.16Å
408E33.3Very low36.8Very low167 Ų167145.4 Ų145.478%0.7873%0.725SS**  trans-89.173.9167.5-74.5-171.6158.200111.1
409N34.6Very low35.7Very low165 Ų165147.8 Ų147.888%0.88274%0.743SS**SBendtrans-179.574.6148.6-99.6-17.5000110.8H407H407-N409 PolarHBondContact O-N 3.16Å
410C28.8Very low35.3Very low117 Ų117148.9 Ų148.979%0.79176%0.756SS**SBendtrans-179.9143.9130.4-126.30000110.1
411N28.2Very low34.5Very low146 Ų146148.7 Ų148.778%0.78177%0.765SS**  trans86.289.9168.9-61.4-14.1000117.2N413N411-N413 PolarHBondContact O-N 3.45Å
412Q38Very low34.6Very low192 Ų192153.5 Ų153.590%0.89778%0.781SS**  trans-44.4117.9142.1-72.5169.8-29.400110
413N28.3Very low35Very low153 Ų153151.5 Ų151.582%0.81878%0.778SS**  trans-147.2129.5147.6-98.3-21.8000108.2N411 H415N411-N413 PolarHBondContact O-N 3.45Å; N413-H415 PolarHBondContact O-N 3.35Å
414M32.9Very low35.3Very low185 Ų185147.5 Ų147.591%0.91177%0.767SS**  trans-54.9117.6176.8-69.1-78.7-17800110
415H29.3Very low35.9Very low183 Ų183143.7 Ų143.785%0.84775%0.745SS**  trans-93.8113.1154.9-99-63.4000107.2N413N413-H415 PolarHBondContact O-N 3.35Å
416E26.9Very low36.8Very low168 Ų168136.4 Ų136.479%0.78571%0.714SS**PPolyproline II helixtrans-55.9145.7170.2-78.2-171.8144.600110.7F418E416-F418 PolarHBondContact O-N 3.49Å
417P31.2Very low37.7Very low122 Ų122137.2 Ų137.279%0.79271%0.711SS**PPolyproline II helixtrans-68.3118.7168.513.4-2.7000108.3
418F26.9Very low38.9Very low188 Ų188131.7 Ų131.783%0.82569%0.687SS**PPolyproline II helixtrans-58.5131.1163.2-89.3-90.1000108.3E416 L420E416-F418 PolarHBondContact O-N 3.49Å; F418-L420 PolarHBondContact O-N 3.23Å
419P32.7Very low40.4Very low112 Ų112125.1 Ų125.173%0.72766%0.656SS**PPolyproline II helixtrans-65.6130.6-178.925.3-29.7000109.3S421P419-S421 PolarHBondContact O-N 3.23Å
420L41.2Very low41.9Very low175 Ų175122 Ų12292%0.91663%0.634SS**  trans-59.299.4163.7-92.487.6000107.9F418F418-L420 PolarHBondContact O-N 3.23Å
421S34.4Very low43.9Very low88 Ų88120.1 Ų120.162%0.61562%0.619SS**  trans-73133.9162.757.40000108.6P419P419-S421 PolarHBondContact O-N 3.23Å
422K44.9Very low46Very low197 Ų197114.9 Ų114.986%0.85759%0.593SS**SBendtrans-64.1139.7169.5-78175.4171.3179.70109
423N48.7Very low47.7Very low124 Ų124115.1 Ų115.166%0.66359%0.594SS**  trans26.787.7165.3-65.3-0.8000116.8F425N423-F425 VanDerWaalsContact C-N 3.34Å
424V50.6Low49.7Very low76 Ų76114 Ų11446%0.46159%0.588SS.*SBendtrans-82.7-11.2172.9-173.90000112.5
425F52.8Low51.7Low37 Ų37107.1 Ų107.116%0.16257%0.565CS.*SBendtrans-147.7141.1-178.2-58.1-70.9000110.6N423 W429 A454 P457 M458N423-F425 VanDerWaalsContact C-N 3.34Å; F425-W429 HydrophobicContact CD1-CE3 4Å; F425-W429 AromaticContact CD1-CZ3 3.78Å; F425-W429 HydrophobicContact CD1-CZ3 3.78Å; F425-W429 HydrophobicContact CE1-CZ3 4.25Å; F425-A454 HydrophobicContact CD1-CB 3.72Å; F425-A454 HydrophobicContact CD2-CB 4.23Å; F425-A454 HydrophobicContact CE1-CB 3.59Å; F425-A454 HydrophobicContact CE2-CB 4.12Å; F425-A454 HydrophobicContact CG-CB 4.05Å; F425-A454 HydrophobicContact CZ-CB 3.8Å; F425-P457 HydrophobicContact CE2-CB 3.91Å; F425-P457 HydrophobicContact CE2-CG 4.32Å; F425-M458 HydrophobicContact CB-CG 4.33Å; F425-M458 HydrophobicContact CB-SD 4.05Å; F425-M458 HydrophobicContact CD2-CG 4.03Å; F425-M458 HydrophobicContact CG-CG 4.39Å; F425-M458 HydrophobicContact CG-SD 4.42Å
426P57.5Low53.9Low13 Ų13102.5 Ų102.58%0.08455%0.546CS..  trans-65.3151-18023.6-30.3000112.5E312 N428 W429E312-P426 HydrophobicContact CB-CB 4.33Å; P426-N428 VanDerWaalsContact CB-OD1 3.24Å; P426-N428 WeakPolarHBondContact CB-OD1 3.36Å; P426-N428 VanDerWaalsContact CG-OD1 3.28Å; P426-N428 WeakPolarHBondContact CG-OD1 3.26Å; P426-N428 PolarHBondContact O-N 3.27Å; P426-N428 VanDerWaalsContact O-N 3.15Å; P426-W429 HydrophobicContact CG-CG 4.43Å; P426-W429 PolarHBondContact O-N 2.85Å
427D54.8Low56.7Low106 Ų10699.5 Ų99.557%0.56753%0.531SS*.G310 helixtrans-64.2-20.4-173.5-100.6-34.4000112.9W429 K430D427-W429 PolarHBondContact O-N 3.12Å; D427-K430 PolarHBondContact O-N 3.37Å; D427-K430 WeakPolarHBondContact OD1-CE 3.39Å; D427-K430 IonicContact OD1-NZ 2.73Å; D427-K430 PolarHBondContact OD1-NZ 2.69Å
428N60.9Low59Low51 Ų5197.6 Ų97.627%0.27351%0.514SS..G310 helixtrans-72.9-6.9177.568.1-8.1000114.3E313 P426E313-N428 PolarHBondContact OE1-ND2 3.31Å; P426-N428 VanDerWaalsContact CB-OD1 3.24Å; P426-N428 WeakPolarHBondContact CB-OD1 3.36Å; P426-N428 VanDerWaalsContact CG-OD1 3.28Å; P426-N428 WeakPolarHBondContact CG-OD1 3.26Å; P426-N428 PolarHBondContact O-N 3.27Å; P426-N428 VanDerWaalsContact O-N 3.15Å
429W64.4Low61.6Low30 Ų3091.9 Ų91.911%0.11449%0.489CS..G310 helixtrans-93.12.3175.6-75.822.6000113.5F425 P426 D427 V431 M450 R451 A454 M458F425-W429 HydrophobicContact CD1-CE3 4Å; F425-W429 AromaticContact CD1-CZ3 3.78Å; F425-W429 HydrophobicContact CD1-CZ3 3.78Å; F425-W429 HydrophobicContact CE1-CZ3 4.25Å; P426-W429 HydrophobicContact CG-CG 4.43Å; P426-W429 PolarHBondContact O-N 2.85Å; D427-W429 PolarHBondContact O-N 3.12Å; W429-V431 PolarHBondContact O-N 2.99Å; W429-M450 HydrophobicContact CH2-CB 3.63Å; W429-M450 HydrophobicContact CH2-CE 4.04Å; W429-M450 HydrophobicContact CH2-SD 4.49Å; W429-M450 HydrophobicContact CZ2-CE 4.31Å; W429-M450 HydrophobicContact CZ3-CB 4.12Å; W429-R451 HydrophobicContact CD2-CG 3.9Å; W429-R451 HydrophobicContact CE3-CG 4.08Å; W429-R451 HydrophobicContact CG-CG 4.36Å; W429-R451 HydrophobicContact CZ2-CG 4.37Å; W429-R451 HydrophobicContact CZ3-CG 4.41Å; W429-A454 HydrophobicContact CE3-CB 3.67Å; W429-A454 HydrophobicContact CZ3-CB 3.67Å; W429-M458 HydrophobicContact CB-CE 3.77Å; W429-M458 HydrophobicContact CB-SD 3.63Å; W429-M458 WeakPolarHBondContact O-CE 3.26Å
430K65.8Low64.2Low100 Ų10089.3 Ų89.344%0.43547%0.469SS..SBendtrans-57.5140.4169.8-78.1173171.5149.90109.5D427 P432 M458D427-K430 PolarHBondContact O-N 3.37Å; D427-K430 WeakPolarHBondContact OD1-CE 3.39Å; D427-K430 IonicContact OD1-NZ 2.73Å; D427-K430 PolarHBondContact OD1-NZ 2.69Å; K430-P432 WeakPolarHBondContact O-CD 3.29Å; K430-M458 HydrophobicContact CG-CE 4.04Å
431V71.4Confident66.3Low76 Ų7688 Ų8846%0.46146%0.456SS..PPolyproline II helixtrans-57.8126.2176-178.90000108.1W429 Q433 F437 L455W429-V431 PolarHBondContact O-N 2.99Å; V431-Q433 PolarHBondContact O-N 3.08Å; V431-F437 HydrophobicContact CG1-CE1 4.11Å; V431-F437 HydrophobicContact CG1-CZ 4.17Å; V431-L455 HydrophobicContact CG2-CD1 3.83Å
432P72.6Confident68.6Low37 Ų3790.8 Ų90.824%0.2446%0.464CS..PPolyproline II helixtrans-54128.8178.2-24.331.5000111.1K430 D434 G435 D436 F439K430-P432 WeakPolarHBondContact O-CD 3.29Å; P432-D434 VanDerWaalsContact C-N 3.29Å; P432-D434 WeakPolarHBondContact CB-OD1 3.42Å; P432-D434 PolarHBondContact O-N 2.85Å; P432-G435 PolarHBondContact O-N 3.29Å; P432-D436 WeakPolarHBondContact CG-O 3.45Å; P432-F439 HydrophobicContact CG-CD1 4.43Å; P432-F439 HydrophobicContact CG-CE1 3.61Å; P432-F439 HydrophobicContact CG-CZ 4.23Å
433Q72.8Confident70.5Confident196 Ų19683 Ų8392%0.91643%0.432SS*.THydrogen-bonded Turntrans-74.1-23.1-174.7-65.7-174.6500112.9V431 G435V431-Q433 PolarHBondContact O-N 3.08Å; Q433-G435 VanDerWaalsContact C-N 3.25Å
434D70.9Confident72.4Confident129 Ų12979.5 Ų79.569%0.6942%0.416SS*.THydrogen-bonded Turntrans-77.7-10.2173.6529.5000112.8P432 D436P432-D434 VanDerWaalsContact C-N 3.29Å; P432-D434 WeakPolarHBondContact CB-OD1 3.42Å; P432-D434 PolarHBondContact O-N 2.85Å; D434-D436 PolarHBondContact O-N 3.36Å; D434-D436 PolarHBondContact OD1-N 2.85Å; D434-D436 VanDerWaalsContact OD1-N 3.12Å
435G74.3Confident74.1Confident42 Ų4281.9 Ų81.943%0.43343%0.426SS..  trans70.614.2-17600000113.5P432 Q433 F437P432-G435 PolarHBondContact O-N 3.29Å; Q433-G435 VanDerWaalsContact C-N 3.25Å; G435-F437 WeakPolarHBondContact O-CD2 2.97Å; G435-F437 WeakPolarHBondContact O-CE2 3.3Å; G435-F437 PolarHBondContact O-N 3.11Å
436D76.6Confident75.6Confident86 Ų8687.2 Ų87.246%0.4645%0.451SS..  trans-81.3116.4175.8-173.410.4000110.6P432 D434 D438P432-D436 WeakPolarHBondContact CG-O 3.45Å; D434-D436 PolarHBondContact O-N 3.36Å; D434-D436 PolarHBondContact OD1-N 2.85Å; D434-D436 VanDerWaalsContact OD1-N 3.12Å; D436-D438 WeakPolarHBondContact OD1-CB 3.45Å; D436-D438 PolarHBondContact OD1-N 2.88Å
437F84.7Confident76.8Confident105 Ų10589.4 Ų89.446%0.46146%0.461SS..  trans-109.210.1179.8-61.2-69.1000112.7V431 G435 F439 L440V431-F437 HydrophobicContact CG1-CE1 4.11Å; V431-F437 HydrophobicContact CG1-CZ 4.17Å; G435-F437 WeakPolarHBondContact O-CD2 2.97Å; G435-F437 WeakPolarHBondContact O-CE2 3.3Å; G435-F437 PolarHBondContact O-N 3.11Å; F437-F439 HydrophobicContact CD1-CE1 4.4Å; F437-F439 PolarHBondContact O-N 2.86Å; F437-L440 HydrophobicContact CB-CD1 3.83Å; F437-L440 HydrophobicContact CB-CG 4.3Å; F437-L440 HydrophobicContact CD1-CD1 4.23Å; F437-L440 HydrophobicContact CG-CD1 4.39Å; F437-L440 VanDerWaalsContact O-CB 3.24Å; F437-L440 WeakPolarHBondContact O-CB 3.46Å; F437-L440 VanDerWaalsContact O-CG 3.28Å; F437-L440 WeakPolarHBondContact O-CG 3.44Å; F437-L440 PolarHBondContact O-N 2.93Å
438D79.3Confident78.2Confident81 Ų8187.3 Ų87.343%0.43345%0.449SS..G310 helixtrans-65.6-26.7-175.4-109.527.2000113.2D436 L440 K441D436-D438 WeakPolarHBondContact OD1-CB 3.45Å; D436-D438 PolarHBondContact OD1-N 2.88Å; D438-L440 PolarHBondContact O-N 3.22Å; D438-L440 VanDerWaalsContact O-N 3.15Å; D438-K441 WeakPolarHBondContact O-CB 3.41Å; D438-K441 PolarHBondContact O-N 3.32Å; D438-K441 VanDerWaalsContact O-N 3.11Å; D438-K441 VanDerWaalsContact OD1-CE 3.25Å; D438-K441 WeakPolarHBondContact OD1-CE 3.48Å; D438-K441 IonicContact OD1-NZ 3.31Å; D438-K441 PolarHBondContact OD1-NZ 3.42Å; D438-K441 IonicContact OD2-NZ 3.63Å; D438-K441 PolarHBondContact OD2-NZ 3.01Å
439F82.7Confident79.3Confident68 Ų6890.4 Ų90.430%0.29846%0.462SS..G310 helixtrans-58.5-26.117478.1-83.2000112.6P432 F437 K441 N442 L443P432-F439 HydrophobicContact CG-CD1 4.43Å; P432-F439 HydrophobicContact CG-CE1 3.61Å; P432-F439 HydrophobicContact CG-CZ 4.23Å; F437-F439 HydrophobicContact CD1-CE1 4.4Å; F437-F439 PolarHBondContact O-N 2.86Å; F439-K441 PolarHBondContact O-N 3.45Å; F439-K441 VanDerWaalsContact O-N 3.17Å; F439-N442 PolarHBondContact O-N 3.2Å; F439-L443 HydrophobicContact CD2-CD1 4.05Å; F439-L443 HydrophobicContact CE2-CD1 3.85Å
440L86.6Confident80.2Confident59 Ų5991.7 Ų91.731%0.30947%0.47SS..G310 helixtrans-60.2-26.5178.2-63.3179.5000112.5F437 D438 N442 L443 L448F437-L440 HydrophobicContact CB-CD1 3.83Å; F437-L440 HydrophobicContact CB-CG 4.3Å; F437-L440 HydrophobicContact CD1-CD1 4.23Å; F437-L440 HydrophobicContact CG-CD1 4.39Å; F437-L440 VanDerWaalsContact O-CB 3.24Å; F437-L440 WeakPolarHBondContact O-CB 3.46Å; F437-L440 VanDerWaalsContact O-CG 3.28Å; F437-L440 WeakPolarHBondContact O-CG 3.44Å; F437-L440 PolarHBondContact O-N 2.93Å; D438-L440 PolarHBondContact O-N 3.22Å; D438-L440 VanDerWaalsContact O-N 3.15Å; L440-N442 PolarHBondContact O-N 2.75Å; L440-L443 HydrophobicContact CD2-CD1 3.88Å; L440-L443 PolarHBondContact O-N 3.24Å; L440-L448 HydrophobicContact CB-CD2 3.99Å; L440-L448 HydrophobicContact CD2-CD2 3.77Å; L440-L448 HydrophobicContact CG-CD2 4.38Å
441K84.9Confident81Confident147 Ų14789.3 Ų89.364%0.63946%0.458SS*.G310 helixtrans-67.1-23.1178.6-64.4170.6-179.41630112.9D438 F439D438-K441 WeakPolarHBondContact O-CB 3.41Å; D438-K441 PolarHBondContact O-N 3.32Å; D438-K441 VanDerWaalsContact O-N 3.11Å; D438-K441 VanDerWaalsContact OD1-CE 3.25Å; D438-K441 WeakPolarHBondContact OD1-CE 3.48Å; D438-K441 IonicContact OD1-NZ 3.31Å; D438-K441 PolarHBondContact OD1-NZ 3.42Å; D438-K441 IonicContact OD2-NZ 3.63Å; D438-K441 PolarHBondContact OD2-NZ 3.01Å; F439-K441 PolarHBondContact O-N 3.45Å; F439-K441 VanDerWaalsContact O-N 3.17Å
442N82.9Confident81.7Confident147 Ų14791.8 Ų91.879%0.78647%0.468SS*.G310 helixtrans-97.7-0.1-177.2-61.2-31.5000112.5F439 L440F439-N442 PolarHBondContact O-N 3.2Å; L440-N442 PolarHBondContact O-N 2.75Å
443L85.2Confident82.2Confident34 Ų3497.2 Ų97.218%0.17849%0.488CS..SBendtrans-89.8150.4176.9-64.5175.7000111.4F439 L440 E447 L448F439-L443 HydrophobicContact CD2-CD1 4.05Å; F439-L443 HydrophobicContact CE2-CD1 3.85Å; L440-L443 HydrophobicContact CD2-CD1 3.88Å; L440-L443 PolarHBondContact O-N 3.24Å; L443-E447 HydrophobicContact CB-CB 4.19Å; L443-E447 HydrophobicContact CD2-CB 4.36Å; L443-L448 HydrophobicContact CB-CD2 4.21Å; L443-L448 HydrophobicContact CB-CG 4.12Å; L443-L448 HydrophobicContact CD1-CD2 4.1Å
444S88.9Confident82.6Confident49 Ų4987.9 Ų87.934%0.34344%0.444SS..  trans-67.6160.9168.969.80000111.8E446 E447 L448S444-E446 PolarHBondContact O-N 3.23Å; S444-E447 WeakPolarHBondContact CA-OE2 3.36Å; S444-E447 VanDerWaalsContact CB-OE2 3.26Å; S444-E447 WeakPolarHBondContact CB-OE2 3.34Å; S444-E447 PolarHBondContact N-OE2 3.21Å; S444-E447 PolarHBondContact O-N 2.83Å; S444-E447 VanDerWaalsContact OG-CD 3.29Å; S444-E447 VanDerWaalsContact OG-CG 3.26Å; S444-E447 WeakPolarHBondContact OG-CG 3.32Å; S444-E447 PolarHBondContact OG-N 2.87Å; S444-E447 PolarHBondContact OG-OE2 3.07Å; S444-L448 WeakPolarHBondContact O-CG 3.32Å; S444-L448 PolarHBondContact O-N 3.18Å; S444-L448 VanDerWaalsContact O-N 3.1Å
445L85.8Confident83.2Confident126 Ų12685.5 Ų85.566%0.6643%0.431SS*.Hα-helixtrans-59-37.4176.1-173.480.1000111.9L448 Q449L445-L448 PolarHBondContact O-N 3.3Å; L445-Q449 WeakPolarHBondContact O-CG 3.42Å; L445-Q449 PolarHBondContact O-N 2.94Å; L445-Q449 VanDerWaalsContact O-N 3.07Å
446E85.6Confident83.7Confident149 Ų14988.4 Ų88.470%0.69644%0.437SS*.Hα-helixtrans-65.9-48.1-179.1-73.6160.7178.200110.4S444 L448 Q449 M450S444-E446 PolarHBondContact O-N 3.23Å; E446-L448 VanDerWaalsContact C-N 3.33Å; E446-L448 PolarHBondContact O-N 2.99Å; E446-Q449 PolarHBondContact O-N 3.14Å; E446-M450 WeakPolarHBondContact O-CG 3.5Å; E446-M450 PolarHBondContact O-N 3Å
447E81.7Confident84Confident60 Ų6086.9 Ų86.928%0.2843%0.431SS..Hα-helixtrans-60.3-40.6175.6-70.8163.9124.500112.5L443 S444 Q449 M450 R451L443-E447 HydrophobicContact CB-CB 4.19Å; L443-E447 HydrophobicContact CD2-CB 4.36Å; S444-E447 WeakPolarHBondContact CA-OE2 3.36Å; S444-E447 VanDerWaalsContact CB-OE2 3.26Å; S444-E447 WeakPolarHBondContact CB-OE2 3.34Å; S444-E447 PolarHBondContact N-OE2 3.21Å; S444-E447 PolarHBondContact O-N 2.83Å; S444-E447 VanDerWaalsContact OG-CD 3.29Å; S444-E447 VanDerWaalsContact OG-CG 3.26Å; S444-E447 WeakPolarHBondContact OG-CG 3.32Å; S444-E447 PolarHBondContact OG-N 2.87Å; S444-E447 PolarHBondContact OG-OE2 3.07Å; E447-Q449 VanDerWaalsContact C-N 3.35Å; E447-Q449 PolarHBondContact O-N 3.36Å; E447-M450 PolarHBondContact O-N 3.33Å; E447-R451 WeakPolarHBondContact O-CG 3.47Å; E447-R451 PolarHBondContact O-N 3.35Å
448L84.4Confident83.8Confident61 Ų6183 Ų8332%0.31942%0.415SS..Hα-helixtrans-62.8-41.2176.5-71.4171.9000112.1L440 L443 S444 L445 E446 L452L440-L448 HydrophobicContact CB-CD2 3.99Å; L440-L448 HydrophobicContact CD2-CD2 3.77Å; L440-L448 HydrophobicContact CG-CD2 4.38Å; L443-L448 HydrophobicContact CB-CD2 4.21Å; L443-L448 HydrophobicContact CB-CG 4.12Å; L443-L448 HydrophobicContact CD1-CD2 4.1Å; S444-L448 WeakPolarHBondContact O-CG 3.32Å; S444-L448 PolarHBondContact O-N 3.18Å; S444-L448 VanDerWaalsContact O-N 3.1Å; L445-L448 PolarHBondContact O-N 3.3Å; E446-L448 VanDerWaalsContact C-N 3.33Å; E446-L448 PolarHBondContact O-N 2.99Å; L448-L452 WeakPolarHBondContact O-CB 3.49Å; L448-L452 PolarHBondContact O-N 3.25Å; L448-L452 VanDerWaalsContact O-N 3.1Å
449Q84.6Confident84Confident116 Ų11683.7 Ų83.754%0.54242%0.417SS..Hα-helixtrans-68-39.9177.4-73.9176.2-3.500111.9L445 E446 E447 L452 K453L445-Q449 WeakPolarHBondContact O-CG 3.42Å; L445-Q449 PolarHBondContact O-N 2.94Å; L445-Q449 VanDerWaalsContact O-N 3.07Å; E446-Q449 PolarHBondContact O-N 3.14Å; E447-Q449 VanDerWaalsContact C-N 3.35Å; E447-Q449 PolarHBondContact O-N 3.36Å; Q449-L452 PolarHBondContact O-N 3.02Å; Q449-K453 WeakPolarHBondContact O-CB 3.15Å; Q449-K453 PolarHBondContact O-N 2.73Å
450M82.2Confident84.1Confident58 Ų5886.9 Ų86.929%0.28643%0.433SS..Hα-helixtrans-64.5-47176.6-66.7-147.1-67.300111.9W429 E446 E447 L452 K453 A454W429-M450 HydrophobicContact CH2-CB 3.63Å; W429-M450 HydrophobicContact CH2-CE 4.04Å; W429-M450 HydrophobicContact CH2-SD 4.49Å; W429-M450 HydrophobicContact CZ2-CE 4.31Å; W429-M450 HydrophobicContact CZ3-CB 4.12Å; E446-M450 WeakPolarHBondContact O-CG 3.5Å; E446-M450 PolarHBondContact O-N 3Å; E447-M450 PolarHBondContact O-N 3.33Å; M450-L452 VanDerWaalsContact C-N 3.29Å; M450-L452 PolarHBondContact O-N 2.79Å; M450-K453 PolarHBondContact O-N 3.44Å; M450-K453 VanDerWaalsContact O-N 3.12Å; M450-A454 WeakPolarHBondContact O-CB 3.24Å; M450-A454 PolarHBondContact O-N 3.12Å
451R84Confident83.9Confident50 Ų5087.7 Ų87.719%0.18943%0.431CS..Hα-helixtrans-60-39.4176.5-72.4-177.7-172.4-128.17.1112.3W429 E447 A454 L455W429-R451 HydrophobicContact CD2-CG 3.9Å; W429-R451 HydrophobicContact CE3-CG 4.08Å; W429-R451 HydrophobicContact CG-CG 4.36Å; W429-R451 HydrophobicContact CZ2-CG 4.37Å; W429-R451 HydrophobicContact CZ3-CG 4.41Å; E447-R451 WeakPolarHBondContact O-CG 3.47Å; E447-R451 PolarHBondContact O-N 3.35Å; R451-A454 PolarHBondContact O-N 3.05Å; R451-L455 PolarHBondContact O-N 3.26Å; R451-L455 VanDerWaalsContact O-N 3.14Å
452L85.4Confident83.9Confident127 Ų12785.7 Ų85.767%0.66543%0.425SS*.Hα-helixtrans-64-41.6175.7-175.963.5000111.9L448 Q449 M450 A454 L455L448-L452 WeakPolarHBondContact O-CB 3.49Å; L448-L452 PolarHBondContact O-N 3.25Å; L448-L452 VanDerWaalsContact O-N 3.1Å; Q449-L452 PolarHBondContact O-N 3.02Å; M450-L452 VanDerWaalsContact C-N 3.29Å; M450-L452 PolarHBondContact O-N 2.79Å; L452-A454 VanDerWaalsContact C-N 3.34Å; L452-L455 WeakPolarHBondContact O-CB 3.26Å; L452-L455 PolarHBondContact O-N 3.35Å
453K83.4Confident84.1Confident151 Ų15182.1 Ų82.166%0.65741%0.405SS*.Hα-helixtrans-68.3-32.8177.8-172.2-173.4172.2-1570112.3E320 Q449 M450E320-K453 IonicContact OE1-NZ 3.72Å; Q449-K453 WeakPolarHBondContact O-CB 3.15Å; Q449-K453 PolarHBondContact O-N 2.73Å; M450-K453 PolarHBondContact O-N 3.44Å; M450-K453 VanDerWaalsContact O-N 3.12Å
454A81.4Confident84.4Confident1 Ų184.9 Ų84.91%0.00842%0.417CS..Hα-helixtrans-81.4-13.4179.500000114.2F425 W429 M450 R451 L452 D456 P457 M458F425-A454 HydrophobicContact CD1-CB 3.72Å; F425-A454 HydrophobicContact CD2-CB 4.23Å; F425-A454 HydrophobicContact CE1-CB 3.59Å; F425-A454 HydrophobicContact CE2-CB 4.12Å; F425-A454 HydrophobicContact CG-CB 4.05Å; F425-A454 HydrophobicContact CZ-CB 3.8Å; W429-A454 HydrophobicContact CE3-CB 3.67Å; W429-A454 HydrophobicContact CZ3-CB 3.67Å; M450-A454 WeakPolarHBondContact O-CB 3.24Å; M450-A454 PolarHBondContact O-N 3.12Å; R451-A454 PolarHBondContact O-N 3.05Å; L452-A454 VanDerWaalsContact C-N 3.34Å; A454-D456 PolarHBondContact O-N 3.26Å; A454-P457 WeakPolarHBondContact O-CD 3.07Å; A454-M458 HydrophobicContact CB-SD 4.36Å; A454-M458 WeakPolarHBondContact O-CB 3.34Å; A454-M458 VanDerWaalsContact O-CG 3.24Å; A454-M458 WeakPolarHBondContact O-CG 3.43Å; A454-M458 PolarHBondContact O-N 3.31Å
455L83.2Confident84.3Confident79 Ų7987 Ų8741%0.41442%0.421SS..Hα-helixtrans-59.4-48.6-173.3-168.169.8000113.1V431 R451 L452 M458 M459V431-L455 HydrophobicContact CG2-CD1 3.83Å; R451-L455 PolarHBondContact O-N 3.26Å; R451-L455 VanDerWaalsContact O-N 3.14Å; L452-L455 WeakPolarHBondContact O-CB 3.26Å; L452-L455 PolarHBondContact O-N 3.35Å; L455-M458 PolarHBondContact O-N 3.03Å; L455-M459 WeakPolarHBondContact O-CB 3.31Å; L455-M459 PolarHBondContact O-N 2.97Å
456D83.8Confident84.4Confident103 Ų10385.1 Ų85.155%0.55141%0.411SS*.Hα-helixtrans-64.2-50.9-179.6-72.9-28.6000112A454 M458 M459 E460A454-D456 PolarHBondContact O-N 3.26Å; D456-M458 VanDerWaalsContact C-N 3.29Å; D456-M458 PolarHBondContact O-N 3.3Å; D456-M459 PolarHBondContact O-N 3.41Å; D456-E460 WeakPolarHBondContact O-CG 3.43Å; D456-E460 PolarHBondContact O-N 3.26Å
457P82.7Confident84.6Confident53 Ų5385.6 Ų85.634%0.34441%0.407SS..Hα-helixtrans-56.2-38.4174.4-26.731.8000114.5F425 A454 R461F425-P457 HydrophobicContact CE2-CB 3.91Å; F425-P457 HydrophobicContact CE2-CG 4.32Å; A454-P457 WeakPolarHBondContact O-CD 3.07Å; P457-R461 PolarHBondContact O-N 3.46Å; P457-R461 VanDerWaalsContact O-N 3.16Å
458M80.5Confident85Confident25 Ų2588.2 Ų88.212%0.12342%0.419CS..Hα-helixtrans-71.3-43179.3-71.9-173.769.800111.7F425 W429 K430 A454 L455 D456 E460 R461 E462F425-M458 HydrophobicContact CB-CG 4.33Å; F425-M458 HydrophobicContact CB-SD 4.05Å; F425-M458 HydrophobicContact CD2-CG 4.03Å; F425-M458 HydrophobicContact CG-CG 4.39Å; F425-M458 HydrophobicContact CG-SD 4.42Å; W429-M458 HydrophobicContact CB-CE 3.77Å; W429-M458 HydrophobicContact CB-SD 3.63Å; W429-M458 WeakPolarHBondContact O-CE 3.26Å; K430-M458 HydrophobicContact CG-CE 4.04Å; A454-M458 HydrophobicContact CB-SD 4.36Å; A454-M458 WeakPolarHBondContact O-CB 3.34Å; A454-M458 VanDerWaalsContact O-CG 3.24Å; A454-M458 WeakPolarHBondContact O-CG 3.43Å; A454-M458 PolarHBondContact O-N 3.31Å; L455-M458 PolarHBondContact O-N 3.03Å; D456-M458 VanDerWaalsContact C-N 3.29Å; D456-M458 PolarHBondContact O-N 3.3Å; M458-E460 VanDerWaalsContact C-N 3.34Å; M458-E460 PolarHBondContact O-N 3.43Å; M458-R461 WeakPolarHBondContact O-CB 3.49Å; M458-R461 PolarHBondContact O-N 3.18Å; M458-E462 PolarHBondContact O-N 3.49Å
459M83.3Confident85.3Confident95 Ų9592.2 Ų92.247%0.46843%0.43SS..Hα-helixtrans-60.4-43.8175.2-177.6-177.759.600111.2L455 D456 R461 E462 I463L455-M459 WeakPolarHBondContact O-CB 3.31Å; L455-M459 PolarHBondContact O-N 2.97Å; D456-M459 PolarHBondContact O-N 3.41Å; M459-R461 VanDerWaalsContact C-N 3.34Å; M459-R461 PolarHBondContact O-N 3.02Å; M459-E462 PolarHBondContact O-N 3Å; M459-I463 HydrophobicContact CG-CD1 3.81Å; M459-I463 HydrophobicContact CG-CG1 4.42Å; M459-I463 WeakPolarHBondContact O-CB 3.33Å; M459-I463 WeakPolarHBondContact O-CG1 3.43Å; M459-I463 PolarHBondContact O-N 3.3Å; M459-I463 HydrophobicContact SD-CD1 4.47Å
460E86.1Confident85.6Confident135 Ų13594 Ų9463%0.63143%0.433SS*.Hα-helixtrans-61.5-41.9176.9-74.7-174.5168.800112.3D456 M458 I463 E464D456-E460 WeakPolarHBondContact O-CG 3.43Å; D456-E460 PolarHBondContact O-N 3.26Å; M458-E460 VanDerWaalsContact C-N 3.34Å; M458-E460 PolarHBondContact O-N 3.43Å; E460-I463 PolarHBondContact O-N 2.78Å; E460-E464 WeakPolarHBondContact O-CB 3.37Å; E460-E464 PolarHBondContact O-N 2.85Å
461R82.2Confident86.1Confident75 Ų7593.6 Ų93.628%0.28343%0.433SS..Hα-helixtrans-61.3-48175.4-171.3-172.3-55.8161.15.3111.4P457 M458 M459 I463 E464 E465P457-R461 PolarHBondContact O-N 3.46Å; P457-R461 VanDerWaalsContact O-N 3.16Å; M458-R461 WeakPolarHBondContact O-CB 3.49Å; M458-R461 PolarHBondContact O-N 3.18Å; M459-R461 VanDerWaalsContact C-N 3.34Å; M459-R461 PolarHBondContact O-N 3.02Å; R461-I463 VanDerWaalsContact C-N 3.34Å; R461-I463 PolarHBondContact O-N 2.89Å; R461-E464 PolarHBondContact O-N 3.12Å; R461-E465 WeakPolarHBondContact O-CG 3.35Å; R461-E465 PolarHBondContact O-N 3.21Å
462E84.4Confident86.5Confident106 Ų10694.4 Ų94.450%0.49545%0.451SS..Hα-helixtrans-63.4-40.5179.2-170.7170.7-163.300111.7M458 M459 E464 L466M458-E462 PolarHBondContact O-N 3.49Å; M459-E462 PolarHBondContact O-N 3Å; E462-E464 PolarHBondContact O-N 3.33Å; E462-L466 VanDerWaalsContact O-CB 3.31Å; E462-L466 WeakPolarHBondContact O-CB 3.35Å; E462-L466 PolarHBondContact O-N 3.46Å
463I88.4Confident86.8Confident72 Ų7295.8 Ų95.837%0.36945%0.451SS..Hα-helixtrans-61.4-43.5173.4-71.5168.5000110.9M459 E460 R461 L466 R467M459-I463 HydrophobicContact CG-CD1 3.81Å; M459-I463 HydrophobicContact CG-CG1 4.42Å; M459-I463 WeakPolarHBondContact O-CB 3.33Å; M459-I463 WeakPolarHBondContact O-CG1 3.43Å; M459-I463 PolarHBondContact O-N 3.3Å; M459-I463 HydrophobicContact SD-CD1 4.47Å; E460-I463 PolarHBondContact O-N 2.78Å; R461-I463 VanDerWaalsContact C-N 3.34Å; R461-I463 PolarHBondContact O-N 2.89Å; I463-L466 PolarHBondContact O-N 2.91Å; I463-R467 HydrophobicContact CG2-CG 4.41Å; I463-R467 WeakPolarHBondContact O-CB 3.44Å; I463-R467 VanDerWaalsContact O-CG 3.28Å; I463-R467 WeakPolarHBondContact O-CG 3.47Å; I463-R467 PolarHBondContact O-N 3.22Å
464E89.6Confident87.3Confident92 Ų9294.6 Ų94.643%0.4344%0.443SS..Hα-helixtrans-69.2-41.8-179.1-171.354-146.200111.9E460 R461 E462 L466 R467 Q468E460-E464 WeakPolarHBondContact O-CB 3.37Å; E460-E464 PolarHBondContact O-N 2.85Å; R461-E464 PolarHBondContact O-N 3.12Å; E462-E464 PolarHBondContact O-N 3.33Å; E464-L466 VanDerWaalsContact C-N 3.28Å; E464-L466 PolarHBondContact O-N 3.14Å; E464-R467 WeakPolarHBondContact O-CB 3.36Å; E464-R467 PolarHBondContact O-N 3.27Å; E464-Q468 WeakPolarHBondContact O-CG 3.47Å; E464-Q468 PolarHBondContact O-N 3.02Å
465E87Confident88Confident94 Ų9498.4 Ų98.444%0.43946%0.461SS..Hα-helixtrans-58.3-42.3171.1-75.7-176.4-170.200111.7R461 Q468 R469R461-E465 WeakPolarHBondContact O-CG 3.35Å; R461-E465 PolarHBondContact O-N 3.21Å; E465-Q468 PolarHBondContact O-N 3.05Å; E465-R469 WeakPolarHBondContact O-CB 3.44Å; E465-R469 PolarHBondContact O-N 3.25Å
466L89.5Confident88.4Confident86 Ų8698.6 Ų98.645%0.4547%0.467SS..Hα-helixtrans-64.3-43.3176.3-165.767.1000111.1E462 I463 E464 Q468 R469 Y470E462-L466 VanDerWaalsContact O-CB 3.31Å; E462-L466 WeakPolarHBondContact O-CB 3.35Å; E462-L466 PolarHBondContact O-N 3.46Å; I463-L466 PolarHBondContact O-N 2.91Å; E464-L466 VanDerWaalsContact C-N 3.28Å; E464-L466 PolarHBondContact O-N 3.14Å; L466-Q468 PolarHBondContact O-N 3.43Å; L466-R469 PolarHBondContact O-N 3.22Å; L466-Y470 HydrophobicContact CD1-CD2 4.17Å; L466-Y470 HydrophobicContact CD1-CE2 4Å; L466-Y470 HydrophobicContact CG-CD2 4.01Å; L466-Y470 HydrophobicContact CG-CE2 4.07Å; L466-Y470 WeakPolarHBondContact O-CB 3.49Å; L466-Y470 WeakPolarHBondContact O-CD2 3.28Å; L466-Y470 PolarHBondContact O-N 3.09Å
467R89.8Confident89Confident159 Ų15999 Ų9960%0.647%0.468SS*.Hα-helixtrans-60.6-43.7175.2-77.1173.9178.8-139.91112I463 E464 Y470 T471I463-R467 HydrophobicContact CG2-CG 4.41Å; I463-R467 WeakPolarHBondContact O-CB 3.44Å; I463-R467 VanDerWaalsContact O-CG 3.28Å; I463-R467 WeakPolarHBondContact O-CG 3.47Å; I463-R467 PolarHBondContact O-N 3.22Å; E464-R467 WeakPolarHBondContact O-CB 3.36Å; E464-R467 PolarHBondContact O-N 3.27Å; R467-Y470 PolarHBondContact O-N 2.86Å; R467-T471 VanDerWaalsContact O-CB 3.32Å; R467-T471 WeakPolarHBondContact O-CB 3.36Å; R467-T471 PolarHBondContact O-N 3.45Å; R467-T471 PolarHBondContact O-OG1 3.14Å
468Q89.8Confident89.5Confident114 Ų11499.9 Ų99.953%0.53347%0.469SS..Hα-helixtrans-62.6-46.1176.1-71.9178.218.300110.9E464 E465 L466 Y470 T471 A472E464-Q468 WeakPolarHBondContact O-CG 3.47Å; E464-Q468 PolarHBondContact O-N 3.02Å; E465-Q468 PolarHBondContact O-N 3.05Å; L466-Q468 PolarHBondContact O-N 3.43Å; Q468-Y470 PolarHBondContact O-N 3.28Å; Q468-T471 PolarHBondContact O-N 3.39Å; Q468-A472 WeakPolarHBondContact O-CB 2.97Å; Q468-A472 PolarHBondContact O-N 3.02Å
469R89.9Confident90.1Very high146 Ų146102.7 Ų102.755%0.55148%0.484SS*.Hα-helixtrans-60.7-43.7176.8-170.1-179.1-69.51630.2112E465 L466 K473E465-R469 WeakPolarHBondContact O-CB 3.44Å; E465-R469 PolarHBondContact O-N 3.25Å; L466-R469 PolarHBondContact O-N 3.22Å; R469-K473 WeakPolarHBondContact O-CB 3.21Å; R469-K473 WeakPolarHBondContact O-CG 3.28Å; R469-K473 PolarHBondContact O-N 3.18Å
470Y91.8Very high90.6Very high153 Ų153100.7 Ų100.760%0.648%0.483SS*.Hα-helixtrans-65.6-40.4175.6-96.2-95.9000112.2L466 R467 Q468 K473 R474L466-Y470 HydrophobicContact CD1-CD2 4.17Å; L466-Y470 HydrophobicContact CD1-CE2 4Å; L466-Y470 HydrophobicContact CG-CD2 4.01Å; L466-Y470 HydrophobicContact CG-CE2 4.07Å; L466-Y470 WeakPolarHBondContact O-CB 3.49Å; L466-Y470 WeakPolarHBondContact O-CD2 3.28Å; L466-Y470 PolarHBondContact O-N 3.09Å; R467-Y470 PolarHBondContact O-N 2.86Å; Q468-Y470 PolarHBondContact O-N 3.28Å; Y470-K473 PolarHBondContact O-N 3.16Å; Y470-R474 WeakPolarHBondContact O-CG 3.5Å; Y470-R474 PolarHBondContact O-N 2.71Å
471T92.9Very high91Very high49 Ų4998.7 Ų98.730%0.30148%0.475SS..Hα-helixtrans-62.8-45.9177.2-59.30000110.9R467 Q468 K473 R474 Q475R467-T471 VanDerWaalsContact O-CB 3.32Å; R467-T471 WeakPolarHBondContact O-CB 3.36Å; R467-T471 PolarHBondContact O-N 3.45Å; R467-T471 PolarHBondContact O-OG1 3.14Å; Q468-T471 PolarHBondContact O-N 3.39Å; T471-K473 PolarHBondContact O-N 3.12Å; T471-R474 WeakPolarHBondContact O-CG 3.39Å; T471-R474 PolarHBondContact O-N 2.84Å; T471-R474 PolarHBondContact OG1-NH2 3.04Å; T471-Q475 WeakPolarHBondContact O-CB 3.48Å; T471-Q475 PolarHBondContact O-N 3.05Å
472A91.3Very high91.5Very high67 Ų6798.5 Ų98.555%0.55448%0.479SS*.Hα-helixtrans-61-43.1174.900000112.1Q468 Q475 P476Q468-A472 WeakPolarHBondContact O-CB 2.97Å; Q468-A472 PolarHBondContact O-N 3.02Å; A472-Q475 PolarHBondContact O-N 2.89Å; A472-P476 WeakPolarHBondContact O-CD 3.49Å
473K92.3Very high91.9Very high156 Ų15695.3 Ų95.368%0.67847%0.471SS*.Hα-helixtrans-66.3-35.6178.1-78-173.5176.8-174.90113.4R469 Y470 T471R469-K473 WeakPolarHBondContact O-CB 3.21Å; R469-K473 WeakPolarHBondContact O-CG 3.28Å; R469-K473 PolarHBondContact O-N 3.18Å; Y470-K473 PolarHBondContact O-N 3.16Å; T471-K473 PolarHBondContact O-N 3.12Å
474R94.3Very high92.1Very high127 Ų12798.7 Ų98.748%0.47948%0.483SS..Hα-helixtrans-83.3-20.5179.976.6-177.4-179.3-139.6-3.8113.4Y470 T471 I477 L478Y470-R474 WeakPolarHBondContact O-CG 3.5Å; Y470-R474 PolarHBondContact O-N 2.71Å; T471-R474 WeakPolarHBondContact O-CG 3.39Å; T471-R474 PolarHBondContact O-N 2.84Å; T471-R474 PolarHBondContact OG1-NH2 3.04Å; R474-I477 WeakPolarHBondContact O-CB 3.42Å; R474-I477 PolarHBondContact O-N 2.65Å; R474-L478 HydrophobicContact CG-CD1 3.89Å; R474-L478 HydrophobicContact CG-CG 4.47Å; R474-L478 PolarHBondContact O-N 3.24Å
475Q94.4Very high92.1Very high81 Ų8199.9 Ų99.938%0.37949%0.487SS..Hα-helixtrans-54.2-46.2-175.1-167.963.139.600113.4T471 A472 I477 L478 D479T471-Q475 WeakPolarHBondContact O-CB 3.48Å; T471-Q475 PolarHBondContact O-N 3.05Å; A472-Q475 PolarHBondContact O-N 2.89Å; Q475-I477 VanDerWaalsContact C-N 3.25Å; Q475-I477 PolarHBondContact O-N 3.26Å; Q475-L478 PolarHBondContact O-N 3.17Å; Q475-D479 PolarHBondContact NE2-OD1 3.37Å; Q475-D479 PolarHBondContact O-N 3.03Å
476P93.5Very high92.2Very high83 Ų83103.2 Ų103.254%0.53950%0.495SS..Hα-helixtrans-62.4-31.8178.2-22.834.5000113.5A472 A480A472-P476 WeakPolarHBondContact O-CD 3.49Å; P476-A480 VanDerWaalsContact O-CB 3.28Å; P476-A480 WeakPolarHBondContact O-CB 3.28Å; P476-A480 PolarHBondContact O-N 3.43Å
477I94.4Very high91.9Very high112 Ų112107.8 Ų107.857%0.57451%0.507SS*.Hα-helixtrans-71.3-44.7177.7-58.3174.6000109.7R474 Q475 A480 M481R474-I477 WeakPolarHBondContact O-CB 3.42Å; R474-I477 PolarHBondContact O-N 2.65Å; Q475-I477 VanDerWaalsContact C-N 3.25Å; Q475-I477 PolarHBondContact O-N 3.26Å; I477-A480 PolarHBondContact O-N 3.46Å; I477-M481 HydrophobicContact CG2-SD 4.33Å; I477-M481 WeakPolarHBondContact O-CG 3.34Å; I477-M481 PolarHBondContact O-N 3.23Å
478L93.2Very high91.3Very high70 Ų70107.2 Ų107.237%0.36651%0.511SS..Hα-helixtrans-62-46176.9-66.9175.7000111.2R474 Q475 A480 M481 D482R474-L478 HydrophobicContact CG-CD1 3.89Å; R474-L478 HydrophobicContact CG-CG 4.47Å; R474-L478 PolarHBondContact O-N 3.24Å; Q475-L478 PolarHBondContact O-N 3.17Å; L478-A480 VanDerWaalsContact C-N 3.3Å; L478-A480 PolarHBondContact O-N 2.87Å; L478-M481 PolarHBondContact O-N 3.15Å; L478-M481 VanDerWaalsContact O-N 3.15Å; L478-D482 PolarHBondContact O-N 2.95Å
479D94.9Very high90.4Very high84 Ų84109.4 Ų109.445%0.44952%0.521SS..Hα-helixtrans-60.3-41.2176.8-65.6-20000111.5Q475 D482 A483Q475-D479 PolarHBondContact NE2-OD1 3.37Å; Q475-D479 PolarHBondContact O-N 3.03Å; D479-D482 PolarHBondContact O-N 3.42Å; D479-A483 WeakPolarHBondContact O-CB 3.45Å; D479-A483 PolarHBondContact O-N 3.31Å
480A93.7Very high89.1Confident53 Ų53109.1 Ų109.144%0.43853%0.531SS..Hα-helixtrans-66.2-39.2176.100000112.6P476 I477 L478 K484P476-A480 VanDerWaalsContact O-CB 3.28Å; P476-A480 WeakPolarHBondContact O-CB 3.28Å; P476-A480 PolarHBondContact O-N 3.43Å; I477-A480 PolarHBondContact O-N 3.46Å; L478-A480 VanDerWaalsContact C-N 3.3Å; L478-A480 PolarHBondContact O-N 2.87Å; A480-K484 WeakPolarHBondContact O-CG 3.41Å; A480-K484 PolarHBondContact O-N 2.89Å; A480-K484 VanDerWaalsContact O-N 3.1Å
481M92.9Very high87.4Confident94 Ų94113.4 Ų113.446%0.46355%0.553SS.*Hα-helixtrans-65.4-44.3175.1-75.5-179.56500111.5I477 L478 K484 K485I477-M481 HydrophobicContact CG2-SD 4.33Å; I477-M481 WeakPolarHBondContact O-CG 3.34Å; I477-M481 PolarHBondContact O-N 3.23Å; L478-M481 PolarHBondContact O-N 3.15Å; L478-M481 VanDerWaalsContact O-N 3.15Å; M481-K484 PolarHBondContact O-N 2.9Å; M481-K485 WeakPolarHBondContact O-CG 3.36Å; M481-K485 PolarHBondContact O-N 3.1Å
482D94Very high87.1Confident70 Ų70116.6 Ų116.637%0.37457%0.565SS.*Hα-helixtrans-65-42.2178.7-82.6-1.4000111.8L478 D479 K484 K485 R486L478-D482 PolarHBondContact O-N 2.95Å; D479-D482 PolarHBondContact O-N 3.42Å; D482-K484 VanDerWaalsContact C-N 3.31Å; D482-K484 PolarHBondContact O-N 3.26Å; D482-K485 PolarHBondContact O-N 2.97Å; D482-R486 WeakPolarHBondContact O-CG 3.34Å; D482-R486 PolarHBondContact O-N 3.33Å
483A92.3Very high86.9Confident40 Ų40119.2 Ų119.233%0.33157%0.566SS.*Hα-helixtrans-60.4-40.1173.800000112.1D479 R487D479-A483 WeakPolarHBondContact O-CB 3.45Å; D479-A483 PolarHBondContact O-N 3.31Å; A483-R487 WeakPolarHBondContact O-CG 3.36Å; A483-R487 PolarHBondContact O-N 3.03Å
484K91.8Very high86.6Confident142 Ų142117.2 Ų117.262%0.61756%0.56SS**Hα-helixtrans-67.9-43.3176-78-177.5179.1-1770112.5A480 M481 D482 R487 Q488A480-K484 WeakPolarHBondContact O-CG 3.41Å; A480-K484 PolarHBondContact O-N 2.89Å; A480-K484 VanDerWaalsContact O-N 3.1Å; M481-K484 PolarHBondContact O-N 2.9Å; D482-K484 VanDerWaalsContact C-N 3.31Å; D482-K484 PolarHBondContact O-N 3.26Å; K484-R487 PolarHBondContact O-N 3.4Å; K484-Q488 PolarHBondContact O-N 3.19Å
485K90.9Very high86.1Confident118 Ų118116.6 Ų116.651%0.51356%0.564SS.*Hα-helixtrans-60.9-45.3176.8-77178.8179.9175.20112M481 D482 R487 Q488 Q489M481-K485 WeakPolarHBondContact O-CG 3.36Å; M481-K485 PolarHBondContact O-N 3.1Å; D482-K485 PolarHBondContact O-N 2.97Å; K485-R487 VanDerWaalsContact C-N 3.3Å; K485-R487 PolarHBondContact O-N 3.05Å; K485-Q488 PolarHBondContact O-N 3.21Å; K485-Q489 PolarHBondContact O-N 3.4Å
486R87.8Confident85.6Confident163 Ų163118.8 Ų118.862%0.61558%0.576SS**Hα-helixtrans-61.9-37176.6-69.7-179.3-155.7156.68.7112.3D482 N490D482-R486 WeakPolarHBondContact O-CG 3.34Å; D482-R486 PolarHBondContact O-N 3.33Å; R486-N490 PolarHBondContact O-ND2 3.34Å
487R84.3Confident85.1Confident183 Ų183121.2 Ų121.269%0.69158%0.578SS**Hα-helixtrans-67.5-39.6175.3-73.6177-175.2-179.23112.2A483 K484 K485 N490 F491A483-R487 WeakPolarHBondContact O-CG 3.36Å; A483-R487 PolarHBondContact O-N 3.03Å; K484-R487 PolarHBondContact O-N 3.4Å; K485-R487 VanDerWaalsContact C-N 3.3Å; K485-R487 PolarHBondContact O-N 3.05Å; R487-N490 PolarHBondContact O-N 3.32Å; R487-F491 WeakPolarHBondContact O-CD2 3.38Å
488Q76.8Confident84.4Confident147 Ų147121.9 Ų121.969%0.68758%0.579SS**Hα-helixtrans-71.9-27.3178.8-74.3178.5-9.600113.9K484 K485 N490K484-Q488 PolarHBondContact O-N 3.19Å; K485-Q488 PolarHBondContact O-N 3.21Å; Q488-N490 VanDerWaalsContact C-N 3.29Å
489Q70.9Confident83.7Confident159 Ų159125.8 Ų125.874%0.74360%0.595SS**Hα-helixtrans-75.2-16.5173.3-84.2-178-15.600113.9K485K485-Q489 PolarHBondContact O-N 3.4Å
490N61.9Low82.8Confident141 Ų141129.3 Ų129.375%0.75461%0.607SS**THydrogen-bonded Turntrans-97.55.9-179.6-69.4-16.2000113.2R486 R487 Q488R486-N490 PolarHBondContact O-ND2 3.34Å; R487-N490 PolarHBondContact O-N 3.32Å; Q488-N490 VanDerWaalsContact C-N 3.29Å
491F56.1Low81.8Confident242 Ų242136.3 Ų136.3100%1.06162%0.623SS**  trans-114.60166-80.1-82.2000108.3R487R487-F491 WeakPolarHBondContact O-CD2 3.38Å

Retrieved 491 of 491 residues in 512.2 ms (Link to these results)

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