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Calponin

Thin filament-associated protein that is implicated in the regulation and modulation of smooth muscle contraction. It is capable of binding to actin, calmodulin and tropomyosin. The interaction of calponin with actin inhibits the actomyosin Mg-ATPase activity.

AlphaFold DB , UniProt , Accession A0A096MNP3, Species PAPAN (Papio anubis, Olive baboon), Gene CNN2, Length 309 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
1M35.9Very low51.9Low248 Ų248129.7 Ų129.7100%1.22274%0.738SS**  0118.30-70.2174.3169.100107.2
2S39.3Very low54.2Low122 Ų122134.8 Ų134.885%0.85374%0.738SS**  trans-78.2122.4-178.7-163.50000109.2T4S2-T4 PolarHBondContact O-N 3.41Å
3S46.3Very low56.6Low83 Ų83128.4 Ų128.458%0.5872%0.723SS**  trans-69.4116.117552.50000109.1Q5S3-Q5 PolarHBondContact O-N 2.96Å
4T45Very low58.4Low128 Ų128128.8 Ų128.879%0.78572%0.721SS**  trans-60.997.5177.7-36.40000109.5S2 F6S2-T4 PolarHBondContact O-N 3.41Å; T4-F6 PolarHBondContact O-N 3.48Å; T4-F6 VanDerWaalsContact O-N 3.1Å
5Q48.5Very low59.7Low159 Ų159125.6 Ų125.674%0.74371%0.711SS**  trans-68.6109.1175.7-169.4163.2-3.900106.8S3 N7S3-Q5 PolarHBondContact O-N 2.96Å; Q5-N7 VanDerWaalsContact C-N 3.32Å; Q5-N7 PolarHBondContact O-N 3.22Å
6F49.3Very low60.8Low190 Ų190119.2 Ų119.283%0.83368%0.678SS**  trans-61.7100171.9-83.5-87.1000107.6T4 K8T4-F6 PolarHBondContact O-N 3.48Å; T4-F6 VanDerWaalsContact O-N 3.1Å; F6-K8 PolarHBondContact O-N 2.84Å
7N50.7Low62Low146 Ų146117.9 Ų117.978%0.78167%0.665SS**  trans-6787.5174.2-75.4-38.8000108.2Q5 G9Q5-N7 VanDerWaalsContact C-N 3.32Å; Q5-N7 PolarHBondContact O-N 3.22Å; N7-G9 PolarHBondContact O-N 3.47Å
8K60.6Low63Low166 Ų166115.3 Ų115.372%0.72265%0.652SS**  trans-54112.2159.4-80.4177.1173.9171.60106.3F6 E113F6-K8 PolarHBondContact O-N 2.84Å; K8-E113 IonicContact NZ-OE2 3.92Å; K8-E113 PolarHBondContact NZ-OE2 3.27Å
9G60.7Low63.6Low65 Ų65114.3 Ų114.367%0.6764%0.64SS**PPolyproline II helixtrans-57.5164176.200000111.1N7 S11N7-G9 PolarHBondContact O-N 3.47Å; G9-S11 PolarHBondContact O-N 2.8Å
10A66.7Low64.4Low67 Ų67113.6 Ų113.655%0.55464%0.635SS**PPolyproline II helixtrans-52.5135177.400000110.7Y12A10-Y12 HydrophobicContact CB-CE1 4.35Å; A10-Y12 HydrophobicContact CB-CE2 3.98Å; A10-Y12 WeakPolarHBondContact O-CD2 3.34Å; A10-Y12 WeakPolarHBondContact O-CE2 3.37Å; A10-Y12 PolarHBondContact O-N 2.77Å
11S67.8Low65.2Low53 Ų53115.9 Ų115.937%0.37163%0.634SS.*PPolyproline II helixtrans-70128.4174.153.10000109.2G9 A16G9-S11 PolarHBondContact O-N 2.8Å; S11-A16 VanDerWaalsContact O-CB 3.29Å; S11-A16 WeakPolarHBondContact O-CB 3.35Å
12Y79.3Confident67.1Low190 Ų190106.4 Ų106.475%0.74559%0.587SS**  trans-118.2162.2176-60.7-74.8000111.2A10A10-Y12 HydrophobicContact CB-CE1 4.35Å; A10-Y12 HydrophobicContact CB-CE2 3.98Å; A10-Y12 WeakPolarHBondContact O-CD2 3.34Å; A10-Y12 WeakPolarHBondContact O-CE2 3.37Å; A10-Y12 PolarHBondContact O-N 2.77Å
13G85.8Confident68.6Low52 Ų52105 Ų10554%0.53657%0.57SS.*THydrogen-bonded Turntrans60.4-139.6177.400000113.6S15 A16 E17G13-S15 PolarHBondContact O-N 3.34Å; G13-S15 VanDerWaalsContact O-N 3.16Å; G13-A16 WeakPolarHBondContact O-CA 3.46Å; G13-A16 VanDerWaalsContact O-CB 3.28Å; G13-A16 WeakPolarHBondContact O-CB 3.23Å; G13-A16 PolarHBondContact O-N 2.79Å; G13-E17 PolarHBondContact O-N 2.92Å; G13-E17 VanDerWaalsContact O-N 3.13Å
14L81.6Confident70.2Confident134 Ų134106.1 Ų106.170%0.70258%0.578SS**Hα-helixtrans-52.8-38.7-176.8-17465.2000113.1A16 E17 V18L14-A16 VanDerWaalsContact C-N 3.3Å; L14-A16 PolarHBondContact O-N 3.17Å; L14-E17 PolarHBondContact O-N 3.09Å; L14-V18 HydrophobicContact CD1-CG2 4.47Å; L14-V18 HydrophobicContact CG-CG2 4.46Å; L14-V18 WeakPolarHBondContact O-CG2 3.26Å; L14-V18 PolarHBondContact O-N 3.2Å
15S77.4Confident72.1Confident81 Ų81107.5 Ų107.557%0.56657%0.573SS**Hα-helixtrans-64.6-33.3177.6-54.90000112.8G13 K19G13-S15 PolarHBondContact O-N 3.34Å; G13-S15 VanDerWaalsContact O-N 3.16Å; S15-K19 WeakPolarHBondContact O-CB 3.48Å; S15-K19 PolarHBondContact O-N 3.08Å; S15-K19 VanDerWaalsContact O-N 3.12Å
16A78.4Confident74Confident23 Ų23102.1 Ų102.119%0.1955%0.546CS..Hα-helixtrans-71.8-43.3174.800000111.4S11 G13 L14 K19 N20S11-A16 VanDerWaalsContact O-CB 3.29Å; S11-A16 WeakPolarHBondContact O-CB 3.35Å; G13-A16 WeakPolarHBondContact O-CA 3.46Å; G13-A16 VanDerWaalsContact O-CB 3.28Å; G13-A16 WeakPolarHBondContact O-CB 3.23Å; G13-A16 PolarHBondContact O-N 2.79Å; L14-A16 VanDerWaalsContact C-N 3.3Å; L14-A16 PolarHBondContact O-N 3.17Å; A16-K19 PolarHBondContact O-N 3.32Å; A16-N20 WeakPolarHBondContact O-CB 3.5Å; A16-N20 PolarHBondContact O-N 3.38Å
17E80.9Confident75.9Confident97 Ų9795.9 Ų95.945%0.45352%0.521SS..Hα-helixtrans-62.8-45.2176.8-71.1-169.2-15700112.3G13 L14 N20 R21G13-E17 PolarHBondContact O-N 2.92Å; G13-E17 VanDerWaalsContact O-N 3.13Å; L14-E17 PolarHBondContact O-N 3.09Å; E17-N20 PolarHBondContact O-N 3.01Å; E17-R21 WeakPolarHBondContact O-CB 3.32Å; E17-R21 VanDerWaalsContact O-CG 3.28Å; E17-R21 WeakPolarHBondContact O-CG 3.35Å; E17-R21 PolarHBondContact O-N 3.24Å; E17-R21 IonicContact OE2-CZ 2.58Å; E17-R21 IonicContact OE2-NH2 2.7Å; E17-R21 PolarHBondContact OE2-NH2 2.69Å
18V79.4Confident77.7Confident72 Ų7293.3 Ų93.344%0.43651%0.513SS..Hα-helixtrans-61.2-45.8176.5170.80000110.2L14 N20 R21 L22L14-V18 HydrophobicContact CD1-CG2 4.47Å; L14-V18 HydrophobicContact CG-CG2 4.46Å; L14-V18 WeakPolarHBondContact O-CG2 3.26Å; L14-V18 PolarHBondContact O-N 3.2Å; V18-N20 PolarHBondContact O-N 3.14Å; V18-R21 PolarHBondContact O-N 2.91Å; V18-L22 HydrophobicContact CG1-CD1 3.99Å; V18-L22 WeakPolarHBondContact O-CG 3.47Å; V18-L22 PolarHBondContact O-N 2.94Å
19K75.8Confident79.1Confident95 Ų9592.2 Ų92.241%0.41351%0.51SS..Hα-helixtrans-60-44.6176.2-172.9171.3-176.6171.70112S15 A16 L22 L23S15-K19 WeakPolarHBondContact O-CB 3.48Å; S15-K19 PolarHBondContact O-N 3.08Å; S15-K19 VanDerWaalsContact O-N 3.12Å; A16-K19 PolarHBondContact O-N 3.32Å; K19-L22 PolarHBondContact O-N 3.49Å; K19-L23 HydrophobicContact CG-CD1 4.03Å; K19-L23 HydrophobicContact CG-CG 4.49Å; K19-L23 WeakPolarHBondContact O-CB 3.37Å; K19-L23 VanDerWaalsContact O-CG 3.29Å; K19-L23 WeakPolarHBondContact O-CG 3.37Å; K19-L23 PolarHBondContact O-N 3.29Å
20N79.8Confident80.5Confident100 Ų10092.5 Ų92.554%0.53549%0.493SS..Hα-helixtrans-63.7-44.4176.3-78.4-6.7000112.1A16 E17 V18 L22 L23 S24A16-N20 WeakPolarHBondContact O-CB 3.5Å; A16-N20 PolarHBondContact O-N 3.38Å; E17-N20 PolarHBondContact O-N 3.01Å; V18-N20 PolarHBondContact O-N 3.14Å; N20-L22 VanDerWaalsContact C-N 3.26Å; N20-L22 PolarHBondContact O-N 3.35Å; N20-L23 PolarHBondContact O-N 2.78Å; N20-S24 PolarHBondContact O-N 3.23Å; N20-S24 PolarHBondContact O-OG 3.24Å
21R79.5Confident81.7Confident163 Ų16391.2 Ų91.262%0.61548%0.476SS*.Hα-helixtrans-63.3-30176.4-70.5176.7-162.8-169.411113E17 V18E17-R21 WeakPolarHBondContact O-CB 3.32Å; E17-R21 VanDerWaalsContact O-CG 3.28Å; E17-R21 WeakPolarHBondContact O-CG 3.35Å; E17-R21 PolarHBondContact O-N 3.24Å; E17-R21 IonicContact OE2-CZ 2.58Å; E17-R21 IonicContact OE2-NH2 2.7Å; E17-R21 PolarHBondContact OE2-NH2 2.69Å; V18-R21 PolarHBondContact O-N 2.91Å
22L75.8Confident82.8Confident48 Ų4891 Ų9125%0.25148%0.477SS..Hα-helixtrans-73.8-44.7172.1-72.1167.6000111.4V18 K19 N20 S24 K25 Y26 T118V18-L22 HydrophobicContact CG1-CD1 3.99Å; V18-L22 WeakPolarHBondContact O-CG 3.47Å; V18-L22 PolarHBondContact O-N 2.94Å; K19-L22 PolarHBondContact O-N 3.49Å; N20-L22 VanDerWaalsContact C-N 3.26Å; N20-L22 PolarHBondContact O-N 3.35Å; L22-S24 VanDerWaalsContact C-N 3.31Å; L22-S24 PolarHBondContact O-N 2.84Å; L22-K25 WeakPolarHBondContact O-CB 3.42Å; L22-K25 PolarHBondContact O-N 2.96Å; L22-Y26 PolarHBondContact O-N 3.47Å; L22-T118 WeakPolarHBondContact O-CG2 3.48Å; L22-T118 PolarHBondContact O-OG1 3.15Å
23L72.3Confident83.3Confident92 Ų9285 Ų8548%0.48246%0.456SS..Hα-helixtrans-62.1-36.3176.3-71.4168.1000112.1K19 N20 K25 Y26K19-L23 HydrophobicContact CG-CD1 4.03Å; K19-L23 HydrophobicContact CG-CG 4.49Å; K19-L23 WeakPolarHBondContact O-CB 3.37Å; K19-L23 VanDerWaalsContact O-CG 3.29Å; K19-L23 WeakPolarHBondContact O-CG 3.37Å; K19-L23 PolarHBondContact O-N 3.29Å; N20-L23 PolarHBondContact O-N 2.78Å; L23-K25 PolarHBondContact O-N 3.38Å; L23-Y26 VanDerWaalsContact O-CB 3.31Å; L23-Y26 WeakPolarHBondContact O-CB 3.46Å; L23-Y26 PolarHBondContact O-N 3.04Å
24S78.4Confident83.6Confident107 Ų10782.5 Ų82.575%0.74843%0.43SS*.THydrogen-bonded Turntrans-64.7-14174-590000114.5N20 L22N20-S24 PolarHBondContact O-N 3.23Å; N20-S24 PolarHBondContact O-OG 3.24Å; L22-S24 VanDerWaalsContact C-N 3.31Å; L22-S24 PolarHBondContact O-N 2.84Å
25K84.6Confident84.1Confident157 Ų15778.1 Ų78.168%0.68340%0.404SS*.THydrogen-bonded Turntrans-97-5.8173.3-64.6177-178.4-174.30113L22 L23 T118L22-K25 WeakPolarHBondContact O-CB 3.42Å; L22-K25 PolarHBondContact O-N 2.96Å; L23-K25 PolarHBondContact O-N 3.38Å; K25-T118 HydrophobicContact CB-CG2 3.81Å
26Y88.4Confident84.8Confident47 Ų4777.9 Ų77.918%0.18440%0.4CS..  trans-77.2129.4177.3-164.9-88.2000109.7L22 L23 E31 M117 Q121L22-Y26 PolarHBondContact O-N 3.47Å; L23-Y26 VanDerWaalsContact O-CB 3.31Å; L23-Y26 WeakPolarHBondContact O-CB 3.46Å; L23-Y26 PolarHBondContact O-N 3.04Å; Y26-E31 HydrophobicContact CE1-CB 4.33Å; Y26-E31 WeakPolarHBondContact CE1-OE2 3.14Å; Y26-E31 WeakPolarHBondContact OH-CG 3.12Å; Y26-E31 PolarHBondContact OH-OE2 3.13Å; Y26-M117 HydrophobicContact CD2-CB 4.24Å; Y26-M117 HydrophobicContact CE2-CB 3.85Å; Y26-Q121 HydrophobicContact CD2-CB 4.33Å; Y26-Q121 VanDerWaalsContact CD2-OE1 3.27Å; Y26-Q121 HydrophobicContact CE2-CB 3.92Å; Y26-Q121 HydrophobicContact CE2-CG 4.48Å
27D89.8Confident85.4Confident58 Ų5877 Ų7731%0.3139%0.391SS..  trans-115.8110.2-178.7-179.6-3.8000110.9Q29 K30 E31 Q121D27-Q29 PolarHBondContact O-N 3.31Å; D27-Q29 WeakPolarHBondContact OD1-CB 3.45Å; D27-Q29 PolarHBondContact OD1-N 3.05Å; D27-K30 HydrophobicContact CB-CB 4.03Å; D27-K30 HydrophobicContact CB-CG 4Å; D27-K30 PolarHBondContact O-N 2.88Å; D27-K30 VanDerWaalsContact OD2-CG 3.24Å; D27-K30 WeakPolarHBondContact OD2-CG 3.42Å; D27-E31 PolarHBondContact O-N 3.22Å; D27-E31 VanDerWaalsContact O-N 3.09Å; D27-Q121 VanDerWaalsContact N-OE1 3.09Å; D27-Q121 PolarHBondContact O-NE2 3.01Å
28P89.5Confident86Confident92 Ų9272.4 Ų72.460%0.59737%0.37SS*.Hα-helixtrans-59.7-26.9177.4-24.835.1000114.5E31 A32P28-E31 PolarHBondContact O-N 3.29Å; P28-A32 PolarHBondContact O-N 2.85Å; P28-A32 VanDerWaalsContact O-N 3.14Å
29Q89.6Confident86.6Confident144 Ų14471.7 Ų71.767%0.67336%0.362SS*.Hα-helixtrans-69.7-45177.1-61-172-16.100110.5D27 E31 A32 E33D27-Q29 PolarHBondContact O-N 3.31Å; D27-Q29 WeakPolarHBondContact OD1-CB 3.45Å; D27-Q29 PolarHBondContact OD1-N 3.05Å; Q29-E31 VanDerWaalsContact C-N 3.27Å; Q29-E31 PolarHBondContact O-N 3.47Å; Q29-A32 PolarHBondContact O-N 2.62Å; Q29-A32 VanDerWaalsContact O-N 3.12Å; Q29-E33 WeakPolarHBondContact O-CG 3.49Å; Q29-E33 PolarHBondContact O-N 3.31Å
30K89.3Confident87.3Confident70 Ų7070.3 Ų70.330%0.30437%0.374SS..Hα-helixtrans-64.2-30.1174.6-68.4-82162.3-104.80112.4D27 E33 L34 L125D27-K30 HydrophobicContact CB-CB 4.03Å; D27-K30 HydrophobicContact CB-CG 4Å; D27-K30 PolarHBondContact O-N 2.88Å; D27-K30 VanDerWaalsContact OD2-CG 3.24Å; D27-K30 WeakPolarHBondContact OD2-CG 3.42Å; K30-E33 IonicContact NZ-OE1 2.62Å; K30-E33 PolarHBondContact NZ-OE1 3.4Å; K30-E33 IonicContact NZ-OE2 2.63Å; K30-E33 PolarHBondContact NZ-OE2 2.99Å; K30-L34 WeakPolarHBondContact O-CB 3.27Å; K30-L34 VanDerWaalsContact O-CG 3.29Å; K30-L34 WeakPolarHBondContact O-CG 3.33Å; K30-L34 PolarHBondContact O-N 3.5Å; K30-L125 HydrophobicContact CB-CD1 4.31Å; K30-L125 HydrophobicContact CD-CD1 4.24Å; K30-L125 HydrophobicContact CD-CD2 3.98Å
31E91.6Very high87.8Confident41 Ų4167 Ų6719%0.19236%0.357CS..Hα-helixtrans-64.5-45.8169.8-171.1-160.1117.300111.7Y26 D27 P28 Q29 E33 L34 R35 F50 Q121Y26-E31 HydrophobicContact CE1-CB 4.33Å; Y26-E31 WeakPolarHBondContact CE1-OE2 3.14Å; Y26-E31 WeakPolarHBondContact OH-CG 3.12Å; Y26-E31 PolarHBondContact OH-OE2 3.13Å; D27-E31 PolarHBondContact O-N 3.22Å; D27-E31 VanDerWaalsContact O-N 3.09Å; P28-E31 PolarHBondContact O-N 3.29Å; Q29-E31 VanDerWaalsContact C-N 3.27Å; Q29-E31 PolarHBondContact O-N 3.47Å; E31-E33 PolarHBondContact O-N 2.89Å; E31-L34 PolarHBondContact O-N 3.12Å; E31-R35 PolarHBondContact O-N 3.14Å; E31-R35 IonicContact OE1-NH1 2.99Å; E31-R35 PolarHBondContact OE1-NH1 2.99Å; E31-F50 HydrophobicContact CG-CB 4.01Å; E31-F50 HydrophobicContact CG-CD1 3.73Å; E31-F50 HydrophobicContact CG-CD2 3.93Å; E31-F50 HydrophobicContact CG-CE1 4.11Å; E31-F50 HydrophobicContact CG-CE2 4.29Å; E31-F50 HydrophobicContact CG-CG 3.63Å; E31-F50 HydrophobicContact CG-CZ 4.37Å; E31-F50 WeakPolarHBondContact OE1-CB 3.26Å; E31-Q121 VanDerWaalsContact N-NE2 3.19Å
32A91.3Very high88.3Confident49 Ų4960 Ų6041%0.40533%0.332SS..Hα-helixtrans-64.5-39.7179.200000112.4P28 Q29 T36P28-A32 PolarHBondContact O-N 2.85Å; P28-A32 VanDerWaalsContact O-N 3.14Å; Q29-A32 PolarHBondContact O-N 2.62Å; Q29-A32 VanDerWaalsContact O-N 3.12Å; A32-T36 PolarHBondContact O-N 3.46Å; A32-T36 VanDerWaalsContact O-N 3.13Å; A32-T36 PolarHBondContact O-OG1 2.96Å
33E90.5Very high89Confident62 Ų6261.1 Ų61.129%0.2936%0.355SS..Hα-helixtrans-57-56.4169.2-69172.5-154.800110.3Q29 K30 E31 R35 T36 W37 I142Q29-E33 WeakPolarHBondContact O-CG 3.49Å; Q29-E33 PolarHBondContact O-N 3.31Å; K30-E33 IonicContact NZ-OE1 2.62Å; K30-E33 PolarHBondContact NZ-OE1 3.4Å; K30-E33 IonicContact NZ-OE2 2.63Å; K30-E33 PolarHBondContact NZ-OE2 2.99Å; E31-E33 PolarHBondContact O-N 2.89Å; E33-R35 VanDerWaalsContact C-N 3.33Å; E33-R35 PolarHBondContact O-N 2.81Å; E33-T36 WeakPolarHBondContact O-CB 3.36Å; E33-T36 PolarHBondContact O-N 3.26Å; E33-W37 PolarHBondContact O-N 3.4Å; E33-I142 HydrophobicContact CB-CD1 3.68Å; E33-I142 HydrophobicContact CB-CG1 4.29Å; E33-I142 WeakPolarHBondContact O-CD1 3.36Å
34L92.3Very high89.9Confident0 Ų060.2 Ų60.20%035%0.35CS..Hα-helixtrans-55-44.8-179.9-80178000112.9K30 E31 T36 W37 I38 F50 Q121 L124 L125 I142K30-L34 WeakPolarHBondContact O-CB 3.27Å; K30-L34 VanDerWaalsContact O-CG 3.29Å; K30-L34 WeakPolarHBondContact O-CG 3.33Å; K30-L34 PolarHBondContact O-N 3.5Å; E31-L34 PolarHBondContact O-N 3.12Å; L34-T36 PolarHBondContact O-N 3.22Å; L34-W37 PolarHBondContact O-N 3.38Å; L34-I38 VanDerWaalsContact O-CG1 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.17Å; L34-I38 PolarHBondContact O-N 3.42Å; L34-F50 HydrophobicContact CB-CE2 4.47Å; L34-F50 HydrophobicContact CB-CZ 4.28Å; L34-F50 HydrophobicContact CD1-CZ 4.5Å; L34-Q121 HydrophobicContact CD1-CG 4.05Å; L34-L124 HydrophobicContact CD1-CB 3.78Å; L34-L124 HydrophobicContact CD1-CD1 4.4Å; L34-L124 HydrophobicContact CD2-CB 3.8Å; L34-L124 HydrophobicContact CG-CB 4.43Å; L34-L125 HydrophobicContact CD1-CD2 4.34Å; L34-L125 HydrophobicContact CD1-CG 4.14Å; L34-L125 HydrophobicContact CD2-CD2 3.95Å; L34-L125 HydrophobicContact CD2-CG 4.28Å; L34-L125 HydrophobicContact CG-CD2 3.98Å; L34-L125 HydrophobicContact CG-CG 4.31Å; L34-I142 HydrophobicContact CD2-CG2 4.4Å
35R92.4Very high90.5Very high43 Ų4359.9 Ų59.916%0.16235%0.347CS..Hα-helixtrans-53-54.9173.8171.7-179-88.7105.8-11.3110.1E31 E33 W37 I38 E39 I46 G47 P48 F50E31-R35 PolarHBondContact O-N 3.14Å; E31-R35 IonicContact OE1-NH1 2.99Å; E31-R35 PolarHBondContact OE1-NH1 2.99Å; E33-R35 VanDerWaalsContact C-N 3.33Å; E33-R35 PolarHBondContact O-N 2.81Å; R35-W37 VanDerWaalsContact C-N 3.26Å; R35-W37 PolarHBondContact O-N 3.15Å; R35-I38 PolarHBondContact O-N 3.28Å; R35-E39 HydrophobicContact CG-CG 4.13Å; R35-E39 WeakPolarHBondContact O-CB 3.4Å; R35-E39 VanDerWaalsContact O-CG 3.23Å; R35-E39 WeakPolarHBondContact O-CG 3.29Å; R35-E39 PolarHBondContact O-N 3.09Å; R35-I46 HydrophobicContact CB-CD1 4.38Å; R35-I46 HydrophobicContact CG-CD1 4.25Å; R35-G47 PolarHBondContact NE-O 3.5Å; R35-G47 PolarHBondContact NH2-O 3.12Å; R35-P48 PolarHBondContact NH2-O 2.76Å; R35-F50 HydrophobicContact CB-CD2 4.29Å; R35-F50 HydrophobicContact CB-CE2 4.31Å
36T91.4Very high90.8Very high76 Ų7652.8 Ų52.847%0.46632%0.317SS..Hα-helixtrans-57.6-38.1-177.4-480000112.4A32 E33 L34 G40 V140A32-T36 PolarHBondContact O-N 3.46Å; A32-T36 VanDerWaalsContact O-N 3.13Å; A32-T36 PolarHBondContact O-OG1 2.96Å; E33-T36 WeakPolarHBondContact O-CB 3.36Å; E33-T36 PolarHBondContact O-N 3.26Å; L34-T36 PolarHBondContact O-N 3.22Å; T36-G40 PolarHBondContact O-N 2.68Å; T36-V140 HydrophobicContact CG2-CG2 3.84Å
37W91.2Very high90.8Very high4 Ų452.1 Ų52.12%0.01533%0.325CS..Hα-helixtrans-74.5-42.5178.5176.487.5000113.8E33 L34 R35 G40 L41 L63 L67 L127 A128 A131 S138 V140 I142E33-W37 PolarHBondContact O-N 3.4Å; L34-W37 PolarHBondContact O-N 3.38Å; R35-W37 VanDerWaalsContact C-N 3.26Å; R35-W37 PolarHBondContact O-N 3.15Å; W37-G40 PolarHBondContact O-N 3.13Å; W37-L41 HydrophobicContact CD2-CD1 3.95Å; W37-L41 VanDerWaalsContact CE2-CD1 3.4Å; W37-L41 HydrophobicContact CG-CD1 4.46Å; W37-L41 HydrophobicContact CH2-CD1 4.1Å; W37-L41 HydrophobicContact CZ2-CD1 3.47Å; W37-L41 VanDerWaalsContact CZ2-CD1 3.47Å; W37-L41 WeakPolarHBondContact O-CG 3.41Å; W37-L41 PolarHBondContact O-N 3.35Å; W37-L63 HydrophobicContact CH2-CD1 4.24Å; W37-L63 HydrophobicContact CH2-CD2 4.43Å; W37-L63 HydrophobicContact CZ3-CD1 4.15Å; W37-L63 HydrophobicContact CZ3-CD2 3.97Å; W37-L67 HydrophobicContact CH2-CD1 4.25Å; W37-L67 HydrophobicContact CZ2-CD2 4.36Å; W37-L127 HydrophobicContact CH2-CG 4.41Å; W37-A128 HydrophobicContact CD2-CB 4.15Å; W37-A128 HydrophobicContact CE3-CB 4.2Å; W37-A128 HydrophobicContact CH2-CB 3.87Å; W37-A128 HydrophobicContact CZ2-CB 3.78Å; W37-A128 HydrophobicContact CZ3-CB 4.06Å; W37-A131 HydrophobicContact CZ2-CB 3.97Å; W37-S138 VanDerWaalsContact CD1-CB 3.4Å; W37-S138 VanDerWaalsContact NE1-CB 3.3Å; W37-S138 PolarHBondContact NE1-OG 2.92Å; W37-S138 VanDerWaalsContact NE1-OG 3.09Å; W37-V140 HydrophobicContact CB-CB 4.49Å; W37-I142 HydrophobicContact CB-CD1 3.32Å; W37-I142 HydrophobicContact CB-CG1 4.26Å; W37-I142 HydrophobicContact CG-CD1 3.92Å; W37-I142 HydrophobicContact CG-CG1 4.49Å
38I92.6Very high90.8Very high0 Ų055.3 Ų55.30%035%0.348CS..Hα-helixtrans-64.6-47.1176-64.7172.6000110L34 R35 G40 L41 T42 I46 F50 L54 I59 L63 L124L34-I38 VanDerWaalsContact O-CG1 3.26Å; L34-I38 WeakPolarHBondContact O-CG1 3.17Å; L34-I38 PolarHBondContact O-N 3.42Å; R35-I38 PolarHBondContact O-N 3.28Å; I38-G40 VanDerWaalsContact C-N 3.33Å; I38-G40 PolarHBondContact O-N 3.49Å; I38-L41 PolarHBondContact O-N 3.22Å; I38-T42 HydrophobicContact CG2-CG2 4.27Å; I38-T42 WeakPolarHBondContact O-CB 3.47Å; I38-T42 WeakPolarHBondContact O-CG2 3.49Å; I38-T42 PolarHBondContact O-N 3.48Å; I38-T42 PolarHBondContact O-OG1 2.91Å; I38-I46 HydrophobicContact CB-CD1 4.15Å; I38-I46 HydrophobicContact CD1-CD1 4.41Å; I38-I46 HydrophobicContact CG2-CD1 4.05Å; I38-F50 HydrophobicContact CD1-CE2 4.41Å; I38-F50 HydrophobicContact CD1-CZ 4.43Å; I38-L54 HydrophobicContact CD1-CD1 4.4Å; I38-I59 HydrophobicContact CG2-CG2 3.49Å; I38-I59 VanDerWaalsContact CG2-CG2 3.49Å; I38-L63 HydrophobicContact CD1-CD2 4.49Å; I38-L63 HydrophobicContact CG1-CD2 4Å; I38-L63 HydrophobicContact CG2-CD2 4.43Å; I38-L124 HydrophobicContact CD1-CD1 4.16Å; I38-L124 HydrophobicContact CD1-CD2 4.46Å
39E92.9Very high90.9Very high57 Ų5754.7 Ų54.727%0.26634%0.34SS..Hα-helixtrans-63.2-40.4177.9-63.9-173.215600110.6R35 L41 G43 L44 S45 I46R35-E39 HydrophobicContact CG-CG 4.13Å; R35-E39 WeakPolarHBondContact O-CB 3.4Å; R35-E39 VanDerWaalsContact O-CG 3.23Å; R35-E39 WeakPolarHBondContact O-CG 3.29Å; R35-E39 PolarHBondContact O-N 3.09Å; E39-L41 PolarHBondContact O-N 2.83Å; E39-G43 WeakPolarHBondContact O-CA 3.48Å; E39-G43 PolarHBondContact O-N 3.21Å; E39-L44 WeakPolarHBondContact CG-O 3.42Å; E39-S45 WeakPolarHBondContact OE1-CA 3.27Å; E39-I46 HydrophobicContact CG-CD1 4.18Å; E39-I46 HydrophobicContact CG-CG1 3.99Å; E39-I46 PolarHBondContact OE1-N 3.14Å
40G90.2Very high91Very high66 Ų6648.1 Ų48.168%0.6831%0.309SS*.Hα-helixtrans-65.1-33.2176.300000115.2T36 W37 I38T36-G40 PolarHBondContact O-N 2.68Å; W37-G40 PolarHBondContact O-N 3.13Å; I38-G40 VanDerWaalsContact C-N 3.33Å; I38-G40 PolarHBondContact O-N 3.49Å
41L90Very high91.1Very high31 Ų3146.7 Ų46.716%0.16230%0.303CS..Hα-helixtrans-85.2-35.3177.2-73.5175.1000113.4W37 I38 E39 L63 K66 L67 V136W37-L41 HydrophobicContact CD2-CD1 3.95Å; W37-L41 VanDerWaalsContact CE2-CD1 3.4Å; W37-L41 HydrophobicContact CG-CD1 4.46Å; W37-L41 HydrophobicContact CH2-CD1 4.1Å; W37-L41 HydrophobicContact CZ2-CD1 3.47Å; W37-L41 VanDerWaalsContact CZ2-CD1 3.47Å; W37-L41 WeakPolarHBondContact O-CG 3.41Å; W37-L41 PolarHBondContact O-N 3.35Å; I38-L41 PolarHBondContact O-N 3.22Å; E39-L41 PolarHBondContact O-N 2.83Å; L41-L63 HydrophobicContact CB-CD1 3.84Å; L41-L63 HydrophobicContact CD1-CD1 3.69Å; L41-L63 HydrophobicContact CG-CD1 4.44Å; L41-K66 WeakPolarHBondContact O-CG 3.21Å; L41-L67 HydrophobicContact CD1-CD2 3.97Å; L41-V136 HydrophobicContact CD2-CG1 4.43Å
42T90.8Very high91.1Very high17 Ų1750.9 Ų50.910%0.10432%0.321CS..Hα-helixtrans-89.5-32.1-176.1590000113.4I38 L44 I59 L63I38-T42 HydrophobicContact CG2-CG2 4.27Å; I38-T42 WeakPolarHBondContact O-CB 3.47Å; I38-T42 WeakPolarHBondContact O-CG2 3.49Å; I38-T42 PolarHBondContact O-N 3.48Å; I38-T42 PolarHBondContact O-OG1 2.91Å; T42-L44 PolarHBondContact OG1-N 3.44Å; T42-I59 HydrophobicContact CG2-CG2 4.18Å; T42-L63 HydrophobicContact CG2-CB 3.69Å; T42-L63 HydrophobicContact CG2-CD1 4.26Å
43G89.5Confident91.1Very high70 Ų7049.3 Ų49.372%0.72231%0.31SS*.  trans72.113.3-167.300000113.9E39E39-G43 WeakPolarHBondContact O-CA 3.48Å; E39-G43 PolarHBondContact O-N 3.21Å
44L90.8Very high91.3Very high74 Ų7446.4 Ų46.439%0.38730%0.296SS..  trans-109.8139.8179.4-59.7178.1000109.7E39 T42 I59 T62E39-L44 WeakPolarHBondContact CG-O 3.42Å; T42-L44 PolarHBondContact OG1-N 3.44Å; L44-I59 HydrophobicContact CB-CD1 4.43Å; L44-I59 HydrophobicContact CB-CG1 4.25Å; L44-I59 HydrophobicContact CD1-CG1 4.16Å; L44-T62 HydrophobicContact CD1-CG2 4.34Å
45S91.3Very high91.3Very high99 Ų9949.2 Ų49.269%0.69231%0.309SS*.  trans-86.7136.1175.856.30000112E39E39-S45 WeakPolarHBondContact OE1-CA 3.27Å
46I90.7Very high91.3Very high9 Ų949.4 Ų49.45%0.04631%0.313CS..  trans-80.8-23176.5-58.8175.5000110.4R35 I38 E39 F50 G53 L54 I59R35-I46 HydrophobicContact CB-CD1 4.38Å; R35-I46 HydrophobicContact CG-CD1 4.25Å; I38-I46 HydrophobicContact CB-CD1 4.15Å; I38-I46 HydrophobicContact CD1-CD1 4.41Å; I38-I46 HydrophobicContact CG2-CD1 4.05Å; E39-I46 HydrophobicContact CG-CD1 4.18Å; E39-I46 HydrophobicContact CG-CG1 3.99Å; E39-I46 PolarHBondContact OE1-N 3.14Å; I46-F50 HydrophobicContact CD1-CD2 4.04Å; I46-F50 HydrophobicContact CD1-CE2 3.89Å; I46-F50 HydrophobicContact CG2-CD2 4.11Å; I46-G53 VanDerWaalsContact O-CA 3.26Å; I46-G53 WeakPolarHBondContact O-CA 3.13Å; I46-L54 HydrophobicContact CD1-CD2 3.91Å; I46-L54 HydrophobicContact CD1-CG 4.37Å; I46-L54 HydrophobicContact CG1-CD2 4.07Å; I46-L54 HydrophobicContact CG2-CD2 4.36Å; I46-L54 HydrophobicContact CG2-CG 4.15Å; I46-I59 HydrophobicContact CB-CD1 4.46Å; I46-I59 HydrophobicContact CG1-CD1 3.94Å
47G90.4Very high91.3Very high33 Ų3345.8 Ų45.834%0.3429%0.291SS..  trans81.3-163.5-174.800000112.5R35R35-G47 PolarHBondContact NE-O 3.5Å; R35-G47 PolarHBondContact NH2-O 3.12Å
48P88.8Confident91.4Very high124 Ų12446.8 Ų46.881%0.80530%0.297SS*.SBendtrans-75.3-45.1-173.628.4-33.4000113.1R35 F50R35-P48 PolarHBondContact NH2-O 2.76Å; P48-F50 PolarHBondContact O-N 3.19Å
49D91.3Very high91.5Very high80 Ų8047.2 Ų47.243%0.42830%0.3SS..  trans-87.8102.9-179.8-71.5-58.5000110.7Q51 K52 G53D49-Q51 VanDerWaalsContact C-N 3.3Å; D49-Q51 PolarHBondContact O-N 2.58Å; D49-K52 HydrophobicContact CB-CB 3.82Å; D49-K52 HydrophobicContact CB-CD 3.79Å; D49-K52 HydrophobicContact CB-CG 3.8Å; D49-K52 PolarHBondContact O-N 3.02Å; D49-K52 VanDerWaalsContact O-N 3.09Å; D49-K52 IonicContact OD1-NZ 2.65Å; D49-K52 WeakPolarHBondContact OD2-CD 3.28Å; D49-K52 WeakPolarHBondContact OD2-CE 3.5Å; D49-K52 IonicContact OD2-NZ 3.8Å; D49-K52 PolarHBondContact OD2-NZ 3.42Å; D49-G53 PolarHBondContact O-N 2.81Å
50F91.4Very high91.6Very high5 Ų544.5 Ų44.52%0.02229%0.287CS..Hα-helixtrans-55.9-43.7-177.5-177.4-103.5000112.8E31 L34 R35 I38 I46 P48 K52 L54 M117 L124E31-F50 HydrophobicContact CG-CB 4.01Å; E31-F50 HydrophobicContact CG-CD1 3.73Å; E31-F50 HydrophobicContact CG-CD2 3.93Å; E31-F50 HydrophobicContact CG-CE1 4.11Å; E31-F50 HydrophobicContact CG-CE2 4.29Å; E31-F50 HydrophobicContact CG-CG 3.63Å; E31-F50 HydrophobicContact CG-CZ 4.37Å; E31-F50 WeakPolarHBondContact OE1-CB 3.26Å; L34-F50 HydrophobicContact CB-CE2 4.47Å; L34-F50 HydrophobicContact CB-CZ 4.28Å; L34-F50 HydrophobicContact CD1-CZ 4.5Å; R35-F50 HydrophobicContact CB-CD2 4.29Å; R35-F50 HydrophobicContact CB-CE2 4.31Å; I38-F50 HydrophobicContact CD1-CE2 4.41Å; I38-F50 HydrophobicContact CD1-CZ 4.43Å; I46-F50 HydrophobicContact CD1-CD2 4.04Å; I46-F50 HydrophobicContact CD1-CE2 3.89Å; I46-F50 HydrophobicContact CG2-CD2 4.11Å; P48-F50 PolarHBondContact O-N 3.19Å; F50-K52 PolarHBondContact O-N 2.99Å; F50-L54 HydrophobicContact CD1-CD1 4.18Å; F50-L54 HydrophobicContact CD2-CD1 4.2Å; F50-L54 HydrophobicContact CE1-CD1 3.69Å; F50-L54 HydrophobicContact CE2-CD1 3.72Å; F50-L54 HydrophobicContact CG-CD1 4.41Å; F50-L54 HydrophobicContact CZ-CD1 3.45Å; F50-L54 VanDerWaalsContact CZ-CD1 3.45Å; F50-L54 WeakPolarHBondContact O-CG 3.29Å; F50-L54 PolarHBondContact O-N 3.14Å; F50-M117 HydrophobicContact CD1-CE 4.08Å; F50-M117 HydrophobicContact CE1-CE 4.41Å; F50-L124 HydrophobicContact CE1-CD1 4.4Å; F50-L124 HydrophobicContact CZ-CD1 4.03Å
51Q92Very high91.8Very high40 Ų4041.4 Ų41.419%0.18725%0.254CS..Hα-helixtrans-60.7-44.6176.2-176.7-82.1-32.400112.7D49 K55 L111 M117D49-Q51 VanDerWaalsContact C-N 3.3Å; D49-Q51 PolarHBondContact O-N 2.58Å; Q51-K55 VanDerWaalsContact O-CB 3.32Å; Q51-K55 WeakPolarHBondContact O-CB 3.39Å; Q51-K55 PolarHBondContact O-N 3.44Å; Q51-L111 HydrophobicContact CG-CD1 4.22Å; Q51-L111 PolarHBondContact NE2-O 3.39Å; Q51-M117 HydrophobicContact CB-CE 3.89Å; Q51-M117 HydrophobicContact CB-SD 3.88Å; Q51-M117 HydrophobicContact CG-CE 4.15Å; Q51-M117 HydrophobicContact CG-CG 4.37Å; Q51-M117 HydrophobicContact CG-SD 3.47Å; Q51-M117 WeakPolarHBondContact CG-SD 3.44Å
52K91.9Very high92Very high129 Ų12941.6 Ų41.656%0.56126%0.257SS*.Hα-helixtrans-73.8-36.8-176.9-61-179.5-163.6153.40111.7D49 F50 L54 K55D49-K52 HydrophobicContact CB-CB 3.82Å; D49-K52 HydrophobicContact CB-CD 3.79Å; D49-K52 HydrophobicContact CB-CG 3.8Å; D49-K52 PolarHBondContact O-N 3.02Å; D49-K52 VanDerWaalsContact O-N 3.09Å; D49-K52 IonicContact OD1-NZ 2.65Å; D49-K52 WeakPolarHBondContact OD2-CD 3.28Å; D49-K52 WeakPolarHBondContact OD2-CE 3.5Å; D49-K52 IonicContact OD2-NZ 3.8Å; D49-K52 PolarHBondContact OD2-NZ 3.42Å; F50-K52 PolarHBondContact O-N 2.99Å; K52-L54 VanDerWaalsContact C-N 3.3Å; K52-L54 PolarHBondContact O-N 3.01Å; K52-K55 PolarHBondContact O-N 3.3Å
53G91.4Very high92.2Very high17 Ų1740.8 Ų40.818%0.17525%0.252CS..Hα-helixtrans-66.1-29.9177.500000113.9I46 D49I46-G53 VanDerWaalsContact O-CA 3.26Å; I46-G53 WeakPolarHBondContact O-CA 3.13Å; D49-G53 PolarHBondContact O-N 2.81Å
54L93.6Very high92.4Very high0 Ų037.4 Ų37.40%022%0.218CC..Hα-helixtrans-94.7-12.4176.2-60.5-179.8000113.9I38 I46 F50 K52 D56 G57 I59 L60 L111 L124I38-L54 HydrophobicContact CD1-CD1 4.4Å; I46-L54 HydrophobicContact CD1-CD2 3.91Å; I46-L54 HydrophobicContact CD1-CG 4.37Å; I46-L54 HydrophobicContact CG1-CD2 4.07Å; I46-L54 HydrophobicContact CG2-CD2 4.36Å; I46-L54 HydrophobicContact CG2-CG 4.15Å; F50-L54 HydrophobicContact CD1-CD1 4.18Å; F50-L54 HydrophobicContact CD2-CD1 4.2Å; F50-L54 HydrophobicContact CE1-CD1 3.69Å; F50-L54 HydrophobicContact CE2-CD1 3.72Å; F50-L54 HydrophobicContact CG-CD1 4.41Å; F50-L54 HydrophobicContact CZ-CD1 3.45Å; F50-L54 VanDerWaalsContact CZ-CD1 3.45Å; F50-L54 WeakPolarHBondContact O-CG 3.29Å; F50-L54 PolarHBondContact O-N 3.14Å; K52-L54 VanDerWaalsContact C-N 3.3Å; K52-L54 PolarHBondContact O-N 3.01Å; L54-D56 PolarHBondContact O-N 2.89Å; L54-G57 PolarHBondContact O-N 3.21Å; L54-I59 HydrophobicContact CD2-CB 3.96Å; L54-I59 HydrophobicContact CD2-CD1 4.45Å; L54-I59 HydrophobicContact CD2-CG2 3.95Å; L54-L60 HydrophobicContact CB-CD1 4.41Å; L54-L60 HydrophobicContact CB-CG 4.47Å; L54-L60 HydrophobicContact CD1-CD2 4.31Å; L54-L60 HydrophobicContact CD2-CD2 4.04Å; L54-L60 HydrophobicContact CD2-CG 4.17Å; L54-L111 HydrophobicContact CB-CD1 4.28Å; L54-L111 HydrophobicContact CB-CD2 3.96Å; L54-L124 HydrophobicContact CD1-CD1 4.26Å
55K92.9Very high92.5Very high60 Ų6036.1 Ų36.126%0.26121%0.211SC..THydrogen-bonded Turntrans-59.7-30.5-175.6170167175.9148.60113.9Q51 K52 G57 F112Q51-K55 VanDerWaalsContact O-CB 3.32Å; Q51-K55 WeakPolarHBondContact O-CB 3.39Å; Q51-K55 PolarHBondContact O-N 3.44Å; K52-K55 PolarHBondContact O-N 3.3Å; K55-G57 PolarHBondContact O-N 3.24Å; K55-F112 HydrophobicContact CD-CD2 4.39Å; K55-F112 VanDerWaalsContact CE-CE2 3.42Å; K55-F112 WeakPolarHBondContact CE-O 3.47Å; K55-F112 HydrophobicContact CG-CD2 4.02Å; K55-F112 HydrophobicContact CG-CE2 4.45Å; K55-F112 PolarHBondContact NZ-O 3.43Å
56D91.4Very high92.5Very high47 Ų4737.8 Ų37.825%0.25121%0.206SC..THydrogen-bonded Turntrans-72.6-15.2178.277.1-16000113.2L54 T58 Q84 N87L54-D56 PolarHBondContact O-N 2.89Å; D56-T58 HydrophobicContact CB-CG2 4.32Å; D56-T58 VanDerWaalsContact CG-OG1 3.28Å; D56-T58 PolarHBondContact O-N 2.9Å; D56-T58 PolarHBondContact OD1-N 3.01Å; D56-T58 PolarHBondContact OD1-OG1 2.99Å; D56-T58 WeakPolarHBondContact OD2-CB 3.41Å; D56-T58 WeakPolarHBondContact OD2-CG2 3.42Å; D56-T58 PolarHBondContact OD2-OG1 3.26Å; D56-Q84 HydrophobicContact CB-CG 4.44Å; D56-N87 PolarHBondContact O-ND2 2.9Å
57G91.8Very high92.5Very high0 Ų038 Ų380%021%0.207CC..SBendtrans68.51.4-175.100000115.1L54 K55 C61L54-G57 PolarHBondContact O-N 3.21Å; K55-G57 PolarHBondContact O-N 3.24Å; G57-C61 WeakPolarHBondContact O-CB 3.46Å; G57-C61 PolarHBondContact O-N 3.25Å; G57-C61 PolarHBondContact O-SG 3.39Å
58T93.8Very high92.4Very high24 Ų2439.8 Ų39.815%0.14721%0.207CC..Hα-helixtrans-72.9-44.8-173.569.80000111.2D56 L60 C61 T62 I75D56-T58 HydrophobicContact CB-CG2 4.32Å; D56-T58 VanDerWaalsContact CG-OG1 3.28Å; D56-T58 PolarHBondContact O-N 2.9Å; D56-T58 PolarHBondContact OD1-N 3.01Å; D56-T58 PolarHBondContact OD1-OG1 2.99Å; D56-T58 WeakPolarHBondContact OD2-CB 3.41Å; D56-T58 WeakPolarHBondContact OD2-CG2 3.42Å; D56-T58 PolarHBondContact OD2-OG1 3.26Å; T58-L60 VanDerWaalsContact C-N 3.35Å; T58-L60 PolarHBondContact O-N 2.74Å; T58-C61 PolarHBondContact O-N 3.49Å; T58-T62 WeakPolarHBondContact O-CG2 3.47Å; T58-T62 PolarHBondContact O-N 2.7Å; T58-T62 PolarHBondContact O-OG1 2.98Å; T58-I75 HydrophobicContact CG2-CG2 4.04Å
59I94.9Very high92.5Very high10 Ų1038.9 Ų38.95%0.05120%0.201CC..Hα-helixtrans-60.4-45.4176.3-57.7-177.5000110.2I38 T42 L44 I46 L54 T62 L63I38-I59 HydrophobicContact CG2-CG2 3.49Å; I38-I59 VanDerWaalsContact CG2-CG2 3.49Å; T42-I59 HydrophobicContact CG2-CG2 4.18Å; L44-I59 HydrophobicContact CB-CD1 4.43Å; L44-I59 HydrophobicContact CB-CG1 4.25Å; L44-I59 HydrophobicContact CD1-CG1 4.16Å; I46-I59 HydrophobicContact CB-CD1 4.46Å; I46-I59 HydrophobicContact CG1-CD1 3.94Å; L54-I59 HydrophobicContact CD2-CB 3.96Å; L54-I59 HydrophobicContact CD2-CD1 4.45Å; L54-I59 HydrophobicContact CD2-CG2 3.95Å; I59-T62 WeakPolarHBondContact CA-OG1 3.37Å; I59-T62 PolarHBondContact O-N 2.83Å; I59-T62 PolarHBondContact O-OG1 3.1Å; I59-L63 WeakPolarHBondContact O-CB 3.47Å; I59-L63 PolarHBondContact O-N 3.02Å
60L95.1Very high92.3Very high0 Ų040.3 Ų40.30%022%0.217CC..Hα-helixtrans-62.6-45.7178.6-65.8-179.6000112.6L54 T58 T62 L63 M64 L88 F91 F106 L111 L124L54-L60 HydrophobicContact CB-CD1 4.41Å; L54-L60 HydrophobicContact CB-CG 4.47Å; L54-L60 HydrophobicContact CD1-CD2 4.31Å; L54-L60 HydrophobicContact CD2-CD2 4.04Å; L54-L60 HydrophobicContact CD2-CG 4.17Å; T58-L60 VanDerWaalsContact C-N 3.35Å; T58-L60 PolarHBondContact O-N 2.74Å; L60-T62 VanDerWaalsContact C-N 3.33Å; L60-T62 PolarHBondContact O-N 3.27Å; L60-L63 WeakPolarHBondContact O-CB 3.43Å; L60-L63 PolarHBondContact O-N 2.65Å; L60-M64 PolarHBondContact O-N 3.09Å; L60-L88 HydrophobicContact CD1-CD2 3.79Å; L60-F91 VanDerWaalsContact C-CD2 3.46Å; L60-F91 HydrophobicContact CB-CB 4.39Å; L60-F91 HydrophobicContact CB-CD1 4.11Å; L60-F91 HydrophobicContact CB-CD2 3.73Å; L60-F91 HydrophobicContact CB-CE1 4.31Å; L60-F91 HydrophobicContact CB-CE2 3.94Å; L60-F91 HydrophobicContact CB-CG 3.8Å; L60-F91 HydrophobicContact CB-CZ 4.23Å; L60-F91 HydrophobicContact CD1-CD1 4.16Å; L60-F91 HydrophobicContact CD1-CE1 4.23Å; L60-F91 HydrophobicContact CD2-CE1 4.33Å; L60-F91 HydrophobicContact CD2-CE2 4.48Å; L60-F91 HydrophobicContact CD2-CZ 4.12Å; L60-F91 WeakPolarHBondContact O-CD2 3.32Å; L60-F91 VanDerWaalsContact O-CE2 3.27Å; L60-F91 WeakPolarHBondContact O-CE2 3.36Å; L60-F106 HydrophobicContact CD1-CZ 4.2Å; L60-L111 HydrophobicContact CD1-CD2 3.61Å; L60-L124 HydrophobicContact CD2-CD2 3.92Å
61C95.2Very high92.3Very high0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-63.1-37.9174.9-69.90000112.6G57 T58 N65 V72 I75 N87G57-C61 WeakPolarHBondContact O-CB 3.46Å; G57-C61 PolarHBondContact O-N 3.25Å; G57-C61 PolarHBondContact O-SG 3.39Å; T58-C61 PolarHBondContact O-N 3.49Å; C61-N65 PolarHBondContact O-N 3.21Å; C61-N65 VanDerWaalsContact O-N 3.14Å; C61-V72 HydrophobicContact CB-CB 4.28Å; C61-V72 HydrophobicContact CB-CG1 3.95Å; C61-V72 HydrophobicContact CB-CG2 4.29Å; C61-I75 HydrophobicContact CB-CD1 3.57Å; C61-I75 HydrophobicContact CB-CG1 3.69Å; C61-I75 HydrophobicContact CB-CG2 4.12Å; C61-N87 PolarHBondContact SG-O 3Å
62T93.6Very high92.3Very high35 Ų3539.3 Ų39.322%0.21522%0.215CC..Hα-helixtrans-68.9-38.3174.855.70000112.9L44 T58 I59 L60 M64 N65 K66 I75L44-T62 HydrophobicContact CD1-CG2 4.34Å; T58-T62 WeakPolarHBondContact O-CG2 3.47Å; T58-T62 PolarHBondContact O-N 2.7Å; T58-T62 PolarHBondContact O-OG1 2.98Å; I59-T62 WeakPolarHBondContact CA-OG1 3.37Å; I59-T62 PolarHBondContact O-N 2.83Å; I59-T62 PolarHBondContact O-OG1 3.1Å; L60-T62 VanDerWaalsContact C-N 3.33Å; L60-T62 PolarHBondContact O-N 3.27Å; T62-M64 VanDerWaalsContact C-N 3.34Å; T62-M64 PolarHBondContact O-N 3.34Å; T62-N65 PolarHBondContact O-N 3.02Å; T62-K66 WeakPolarHBondContact O-CG 3.49Å; T62-K66 PolarHBondContact O-N 3.46Å; T62-K66 VanDerWaalsContact O-N 3.08Å; T62-I75 HydrophobicContact CG2-CD1 3.65Å
63L93.9Very high92Very high0 Ų039.1 Ų39.10%023%0.227CC..Hα-helixtrans-57.2-49.2173.6173.870.2000110.3W37 I38 L41 T42 I59 L60 N65 K66 L67 L127W37-L63 HydrophobicContact CH2-CD1 4.24Å; W37-L63 HydrophobicContact CH2-CD2 4.43Å; W37-L63 HydrophobicContact CZ3-CD1 4.15Å; W37-L63 HydrophobicContact CZ3-CD2 3.97Å; I38-L63 HydrophobicContact CD1-CD2 4.49Å; I38-L63 HydrophobicContact CG1-CD2 4Å; I38-L63 HydrophobicContact CG2-CD2 4.43Å; L41-L63 HydrophobicContact CB-CD1 3.84Å; L41-L63 HydrophobicContact CD1-CD1 3.69Å; L41-L63 HydrophobicContact CG-CD1 4.44Å; T42-L63 HydrophobicContact CG2-CB 3.69Å; T42-L63 HydrophobicContact CG2-CD1 4.26Å; I59-L63 WeakPolarHBondContact O-CB 3.47Å; I59-L63 PolarHBondContact O-N 3.02Å; L60-L63 WeakPolarHBondContact O-CB 3.43Å; L60-L63 PolarHBondContact O-N 2.65Å; L63-N65 VanDerWaalsContact C-N 3.33Å; L63-N65 PolarHBondContact O-N 3.37Å; L63-K66 WeakPolarHBondContact O-CA 3.44Å; L63-K66 WeakPolarHBondContact O-CB 3.25Å; L63-K66 PolarHBondContact O-N 3.43Å; L63-L67 HydrophobicContact CG-CD1 4.41Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 3.08Å; L63-L127 HydrophobicContact CD2-CD2 4.27Å
64M94.4Very high91.9Very high0 Ų044.8 Ų44.80%025%0.247CC..Hα-helixtrans-63.4-39.7-179-162.358-12500112.2L60 T62 K66 L67 Q68 V72 F91 A94 M95 Y98 L127L60-M64 PolarHBondContact O-N 3.09Å; T62-M64 VanDerWaalsContact C-N 3.34Å; T62-M64 PolarHBondContact O-N 3.34Å; M64-K66 PolarHBondContact O-N 3.23Å; M64-L67 HydrophobicContact CE-CB 4.17Å; M64-L67 PolarHBondContact O-N 2.85Å; M64-L67 HydrophobicContact SD-CD1 4.43Å; M64-Q68 HydrophobicContact CE-CB 4.04Å; M64-Q68 PolarHBondContact O-N 3.23Å; M64-Q68 VanDerWaalsContact O-O 3.1Å; M64-V72 HydrophobicContact CB-CG2 4.42Å; M64-F91 HydrophobicContact CB-CD2 3.81Å; M64-F91 HydrophobicContact CB-CE2 3.92Å; M64-F91 HydrophobicContact CG-CD2 4.34Å; M64-F91 HydrophobicContact CG-CE2 4.44Å; M64-F91 HydrophobicContact SD-CE2 4.5Å; M64-A94 HydrophobicContact CG-CB 3.46Å; M64-A94 VanDerWaalsContact CG-CB 3.46Å; M64-A94 HydrophobicContact SD-CB 4.41Å; M64-M95 HydrophobicContact SD-CG 4.36Å; M64-Y98 HydrophobicContact CE-CD1 4.44Å; M64-Y98 HydrophobicContact CE-CD2 3.48Å; M64-Y98 VanDerWaalsContact CE-CD2 3.48Å; M64-Y98 HydrophobicContact CE-CE2 4.11Å; M64-Y98 HydrophobicContact CE-CG 3.67Å; M64-L127 HydrophobicContact SD-CD1 4.42Å
65N93.8Very high91.9Very high47 Ų4746.9 Ų46.925%0.25126%0.257SS..Hα-helixtrans-66.2-18.8172.9-81.3-20.7000114.4C61 T62 L63 Q68 S71 V72C61-N65 PolarHBondContact O-N 3.21Å; C61-N65 VanDerWaalsContact O-N 3.14Å; T62-N65 PolarHBondContact O-N 3.02Å; L63-N65 VanDerWaalsContact C-N 3.33Å; L63-N65 PolarHBondContact O-N 3.37Å; N65-Q68 WeakPolarHBondContact CA-O 3.45Å; N65-S71 PolarHBondContact OD1-N 2.83Å; N65-S71 VanDerWaalsContact OD1-N 3.14Å; N65-V72 PolarHBondContact ND2-O 3.06Å; N65-V72 PolarHBondContact OD1-N 3.49Å; N65-V72 PolarHBondContact OD1-O 3.06Å
66K91.2Very high91.9Very high133 Ų13344.5 Ų44.558%0.57825%0.247SC*.Hα-helixtrans-83.2-36.3170.9-67.4-78-171.7172.70112L41 T62 L63 M64L41-K66 WeakPolarHBondContact O-CG 3.21Å; T62-K66 WeakPolarHBondContact O-CG 3.49Å; T62-K66 PolarHBondContact O-N 3.46Å; T62-K66 VanDerWaalsContact O-N 3.08Å; L63-K66 WeakPolarHBondContact O-CA 3.44Å; L63-K66 WeakPolarHBondContact O-CB 3.25Å; L63-K66 PolarHBondContact O-N 3.43Å; M64-K66 PolarHBondContact O-N 3.23Å
67L90.3Very high91.8Very high14 Ų1453 Ų537%0.07328%0.276CS..Hα-helixtrans-73.2-38.3177.7-65-178.9000112.8W37 L41 L63 M64 Y98 L127 A131 V136W37-L67 HydrophobicContact CH2-CD1 4.25Å; W37-L67 HydrophobicContact CZ2-CD2 4.36Å; L41-L67 HydrophobicContact CD1-CD2 3.97Å; L63-L67 HydrophobicContact CG-CD1 4.41Å; L63-L67 WeakPolarHBondContact O-CG 3.46Å; L63-L67 PolarHBondContact O-N 3.08Å; M64-L67 HydrophobicContact CE-CB 4.17Å; M64-L67 PolarHBondContact O-N 2.85Å; M64-L67 HydrophobicContact SD-CD1 4.43Å; L67-Y98 HydrophobicContact CB-CE2 4.22Å; L67-L127 HydrophobicContact CD1-CD1 3.93Å; L67-L127 HydrophobicContact CD1-CD2 3.94Å; L67-L127 HydrophobicContact CD1-CG 3.88Å; L67-A131 HydrophobicContact CD1-CB 4.38Å; L67-A131 HydrophobicContact CD2-CB 3.67Å; L67-V136 HydrophobicContact CD2-CB 4.49Å; L67-V136 HydrophobicContact CD2-CG1 4Å; L67-V136 HydrophobicContact CD2-CG2 4.36Å
68Q88.8Confident91.7Very high71 Ų7155.2 Ų55.233%0.33229%0.292SS..SBendtrans-142.5118.7173.9172.8-177.8-20.700108.7M64 N65 S70 S71 Y98M64-Q68 HydrophobicContact CE-CB 4.04Å; M64-Q68 PolarHBondContact O-N 3.23Å; M64-Q68 VanDerWaalsContact O-O 3.1Å; N65-Q68 WeakPolarHBondContact CA-O 3.45Å; Q68-S70 PolarHBondContact O-N 2.79Å; Q68-S71 VanDerWaalsContact CB-OG 3.25Å; Q68-S71 WeakPolarHBondContact CB-OG 3.39Å; Q68-S71 VanDerWaalsContact CD-OG 3.28Å; Q68-S71 WeakPolarHBondContact CG-OG 3.42Å; Q68-S71 PolarHBondContact O-N 3.27Å; Q68-S71 PolarHBondContact O-OG 2.64Å; Q68-S71 VanDerWaalsContact O-OG 3.12Å; Q68-Y98 HydrophobicContact CB-CD2 4.05Å; Q68-Y98 HydrophobicContact CB-CE2 4.02Å
69P89.1Confident91.4Very high105 Ų10562.4 Ų62.468%0.68233%0.325SS*.THydrogen-bonded Turntrans-56.2140.8178.1-27.235.6000112.6S71P69-S71 PolarHBondContact O-N 3.19Å
70S88.3Confident91.2Very high109 Ų10966.6 Ų66.676%0.76235%0.345SS*.THydrogen-bonded Turntrans62.615.2176.7-53.40000116.4Q68 V72Q68-S70 PolarHBondContact O-N 2.79Å; S70-V72 PolarHBondContact O-N 2.76Å
71S90.3Very high91Very high21 Ų2170.5 Ų70.515%0.14737%0.366CS..SBendtrans-61.2-37.4176.2-76.90000114.6N65 Q68 P69N65-S71 PolarHBondContact OD1-N 2.83Å; N65-S71 VanDerWaalsContact OD1-N 3.14Å; Q68-S71 VanDerWaalsContact CB-OG 3.25Å; Q68-S71 WeakPolarHBondContact CB-OG 3.39Å; Q68-S71 VanDerWaalsContact CD-OG 3.28Å; Q68-S71 WeakPolarHBondContact CG-OG 3.42Å; Q68-S71 PolarHBondContact O-N 3.27Å; Q68-S71 PolarHBondContact O-OG 2.64Å; Q68-S71 VanDerWaalsContact O-OG 3.12Å; P69-S71 PolarHBondContact O-N 3.19Å
72V91.7Very high90.9Very high3 Ų377.5 Ų77.52%0.01839%0.392CS..SBendtrans-119.4103.8175.6-178.80000108.7C61 M64 N65 S70 K74 I75 N90 A94C61-V72 HydrophobicContact CB-CB 4.28Å; C61-V72 HydrophobicContact CB-CG1 3.95Å; C61-V72 HydrophobicContact CB-CG2 4.29Å; M64-V72 HydrophobicContact CB-CG2 4.42Å; N65-V72 PolarHBondContact ND2-O 3.06Å; N65-V72 PolarHBondContact OD1-N 3.49Å; N65-V72 PolarHBondContact OD1-O 3.06Å; S70-V72 PolarHBondContact O-N 2.76Å; V72-K74 WeakPolarHBondContact CG1-O 3.5Å; V72-K74 PolarHBondContact O-N 2.75Å; V72-I75 HydrophobicContact CG1-CG1 4.12Å; V72-N90 HydrophobicContact CG1-CB 4.15Å; V72-A94 HydrophobicContact CG2-CB 3.92Å
73P85.8Confident90.9Very high126 Ų12677 Ų7782%0.81839%0.387SS*.SBendtrans-73.7-25.8-17027.7-35.3000113.9
74K90.3Very high90.8Very high136 Ų13678.5 Ų78.559%0.59139%0.394SS*.  trans-140130.4179.7-173.7-175.1174.8-160.60110V72 N76V72-K74 WeakPolarHBondContact CG1-O 3.5Å; V72-K74 PolarHBondContact O-N 2.75Å; K74-N76 VanDerWaalsContact CE-OD1 3.28Å; K74-N76 WeakPolarHBondContact CE-OD1 3.41Å; K74-N76 PolarHBondContact NZ-OD1 3.45Å
75I93.8Very high90.8Very high43 Ų4380.7 Ų80.722%0.22141%0.406CS..  trans-114.9118.3175.7-52.2-178.8000107.7T58 C61 T62 V72T58-I75 HydrophobicContact CG2-CG2 4.04Å; C61-I75 HydrophobicContact CB-CD1 3.57Å; C61-I75 HydrophobicContact CB-CG1 3.69Å; C61-I75 HydrophobicContact CB-CG2 4.12Å; T62-I75 HydrophobicContact CG2-CD1 3.65Å; V72-I75 HydrophobicContact CG1-CG1 4.12Å
76N93Very high90.8Very high11 Ų1181.9 Ų81.96%0.05941%0.41CS..  trans-82.4131.2179.2-58.8-51.6000109.9K74 H83 E86 N87K74-N76 VanDerWaalsContact CE-OD1 3.28Å; K74-N76 WeakPolarHBondContact CE-OD1 3.41Å; K74-N76 PolarHBondContact NZ-OD1 3.45Å; N76-H83 HydrophobicContact CB-CB 3.8Å; N76-H83 VanDerWaalsContact CG-CD2 3.4Å; N76-E86 PolarHBondContact ND2-OE2 3.28Å; N76-N87 PolarHBondContact N-OD1 3.3Å; N76-N87 PolarHBondContact O-ND2 3.32Å
77R89Confident91Very high225 Ų22575.6 Ų75.685%0.84938%0.383SS*.  trans-108.312.2179.2-61-174.2-179.5-166.1-1114
78S89.4Confident91.2Very high47 Ų4774.9 Ų74.933%0.32938%0.379SS..  trans-79.3144.1179.6170.60000111Q80 H83S78-Q80 PolarHBondContact O-N 3.07Å; S78-Q80 VanDerWaalsContact O-N 3.15Å; S78-Q80 WeakPolarHBondContact OG-CG 3.43Å; S78-Q80 PolarHBondContact OG-N 3.26Å; S78-Q80 PolarHBondContact OG-OE1 3.46Å; S78-H83 VanDerWaalsContact CB-ND1 3.27Å; S78-H83 WeakPolarHBondContact CB-ND1 3.49Å; S78-H83 PolarHBondContact OG-ND1 2.95Å
79M87.3Confident91.5Very high174 Ų17473.7 Ų73.786%0.85738%0.379SS*.SBendtrans-73.54.2177.9-61.4-176.57300114.1
80Q90.4Very high91.8Very high99 Ų9970.3 Ų70.346%0.46336%0.355SS..  trans-77.2130.7179.8-66.6171.5-36.500111.3S78 W82 H83 Q84S78-Q80 PolarHBondContact O-N 3.07Å; S78-Q80 VanDerWaalsContact O-N 3.15Å; S78-Q80 WeakPolarHBondContact OG-CG 3.43Å; S78-Q80 PolarHBondContact OG-N 3.26Å; S78-Q80 PolarHBondContact OG-OE1 3.46Å; Q80-W82 PolarHBondContact O-N 3.48Å; Q80-W82 VanDerWaalsContact O-N 3.08Å; Q80-H83 WeakPolarHBondContact O-CB 3.35Å; Q80-H83 PolarHBondContact O-N 3.28Å; Q80-H83 PolarHBondContact OE1-CE1 3.01Å; Q80-H83 PolarHBondContact OE1-ND1 2.82Å; Q80-Q84 PolarHBondContact O-N 3.32Å
81N92.2Very high92.2Very high82 Ų8265.1 Ų65.144%0.43932%0.318SS..Hα-helixtrans-49.1-40.3-176.7-62.29.2000114.2Q84 L85 F112N81-Q84 PolarHBondContact O-N 3.38Å; N81-L85 PolarHBondContact O-N 3.44Å; N81-F112 HydrophobicContact CB-CE2 4.28Å; N81-F112 HydrophobicContact CB-CZ 3.72Å
82W92.6Very high92.4Very high146 Ų14665.4 Ų65.455%0.55332%0.318SS*.Hα-helixtrans-68-35.2-178.670.5-95.4000112.9Q80 Q84 L85 E86Q80-W82 PolarHBondContact O-N 3.48Å; Q80-W82 VanDerWaalsContact O-N 3.08Å; W82-Q84 VanDerWaalsContact C-N 3.33Å; W82-L85 PolarHBondContact O-N 3.39Å; W82-E86 WeakPolarHBondContact O-CB 3.44Å; W82-E86 PolarHBondContact O-N 2.93Å
83H93.3Very high92.5Very high25 Ų2571.7 Ų71.712%0.11635%0.345CS..Hα-helixtrans-66.3-35.8173.9-77.9127.5000111.8N76 S78 Q80 E86 N87N76-H83 HydrophobicContact CB-CB 3.8Å; N76-H83 VanDerWaalsContact CG-CD2 3.4Å; S78-H83 VanDerWaalsContact CB-ND1 3.27Å; S78-H83 WeakPolarHBondContact CB-ND1 3.49Å; S78-H83 PolarHBondContact OG-ND1 2.95Å; Q80-H83 WeakPolarHBondContact O-CB 3.35Å; Q80-H83 PolarHBondContact O-N 3.28Å; Q80-H83 PolarHBondContact OE1-CE1 3.01Å; Q80-H83 PolarHBondContact OE1-ND1 2.82Å; H83-E86 PolarHBondContact O-N 2.89Å; H83-N87 VanDerWaalsContact O-CG 3.31Å; H83-N87 PolarHBondContact O-N 3.25Å
84Q92.9Very high92.9Very high31 Ų3165.8 Ų65.815%0.14531%0.307CS..Hα-helixtrans-67.6-47176.3-61.1-178-13.700110.7D56 Q80 N81 W82 E86 N87 L88 F112D56-Q84 HydrophobicContact CB-CG 4.44Å; Q80-Q84 PolarHBondContact O-N 3.32Å; N81-Q84 PolarHBondContact O-N 3.38Å; W82-Q84 VanDerWaalsContact C-N 3.33Å; Q84-E86 VanDerWaalsContact C-N 3.3Å; Q84-E86 PolarHBondContact O-N 3.49Å; Q84-N87 WeakPolarHBondContact O-CB 3.38Å; Q84-N87 PolarHBondContact O-N 2.94Å; Q84-L88 WeakPolarHBondContact O-CG 3.38Å; Q84-L88 PolarHBondContact O-N 3.18Å; Q84-L88 VanDerWaalsContact O-N 3.08Å; Q84-F112 HydrophobicContact CB-CD2 4.28Å; Q84-F112 HydrophobicContact CB-CE2 4.02Å
85L93.4Very high93.1Very high47 Ų4759.3 Ų59.325%0.24628%0.279CS..Hα-helixtrans-61.8-35.7173.8-71.5170.4000112.7N81 W82 L88 S89 A108 F112N81-L85 PolarHBondContact O-N 3.44Å; W82-L85 PolarHBondContact O-N 3.39Å; L85-L88 PolarHBondContact O-N 3.44Å; L85-S89 WeakPolarHBondContact O-CB 3.32Å; L85-S89 PolarHBondContact O-N 2.88Å; L85-S89 PolarHBondContact O-OG 2.9Å; L85-A108 HydrophobicContact CD2-CB 3.97Å; L85-F112 HydrophobicContact CD2-CB 3.68Å; L85-F112 HydrophobicContact CD2-CD1 4.06Å; L85-F112 HydrophobicContact CD2-CD2 3.97Å; L85-F112 HydrophobicContact CD2-CG 3.63Å; L85-F112 HydrophobicContact CG-CD1 4.47Å; L85-F112 HydrophobicContact CG-CD2 4.08Å; L85-F112 HydrophobicContact CG-CE2 4.36Å; L85-F112 HydrophobicContact CG-CG 4.16Å
86E94.8Very high93.1Very high71 Ų7161 Ų6133%0.33229%0.291SS..Hα-helixtrans-65.3-44.3174.6-170.7-176.6-168.900111.6N76 W82 H83 Q84 L88 S89 N90N76-E86 PolarHBondContact ND2-OE2 3.28Å; W82-E86 WeakPolarHBondContact O-CB 3.44Å; W82-E86 PolarHBondContact O-N 2.93Å; H83-E86 PolarHBondContact O-N 2.89Å; Q84-E86 VanDerWaalsContact C-N 3.3Å; Q84-E86 PolarHBondContact O-N 3.49Å; E86-L88 PolarHBondContact O-N 3.39Å; E86-S89 PolarHBondContact O-N 2.96Å; E86-N90 WeakPolarHBondContact O-CB 3.24Å; E86-N90 VanDerWaalsContact O-CG 3.24Å; E86-N90 PolarHBondContact O-N 3.41Å; E86-N90 PolarHBondContact O-ND2 3.48Å
87N95Very high93Very high1 Ų164 Ų641%0.00531%0.313CS..Hα-helixtrans-56.9-50.1174-71.4-22.6000111.1D56 C61 N76 H83 Q84 S89 N90 F91D56-N87 PolarHBondContact O-ND2 2.9Å; C61-N87 PolarHBondContact SG-O 3Å; N76-N87 PolarHBondContact N-OD1 3.3Å; N76-N87 PolarHBondContact O-ND2 3.32Å; H83-N87 VanDerWaalsContact O-CG 3.31Å; H83-N87 PolarHBondContact O-N 3.25Å; Q84-N87 WeakPolarHBondContact O-CB 3.38Å; Q84-N87 PolarHBondContact O-N 2.94Å; N87-S89 VanDerWaalsContact C-N 3.33Å; N87-S89 PolarHBondContact O-N 3.44Å; N87-N90 PolarHBondContact O-N 3.38Å; N87-F91 PolarHBondContact O-N 3Å
88L94.9Very high93.1Very high0 Ų054.2 Ų54.20%028%0.276CS..Hα-helixtrans-59.7-43177.8-64.7-179.3000112L60 Q84 L85 E86 N90 F91 I92 A108 L111 F112L60-L88 HydrophobicContact CD1-CD2 3.79Å; Q84-L88 WeakPolarHBondContact O-CG 3.38Å; Q84-L88 PolarHBondContact O-N 3.18Å; Q84-L88 VanDerWaalsContact O-N 3.08Å; L85-L88 PolarHBondContact O-N 3.44Å; E86-L88 PolarHBondContact O-N 3.39Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.27Å; L88-F91 WeakPolarHBondContact O-CB 3.47Å; L88-F91 PolarHBondContact O-N 3.3Å; L88-I92 WeakPolarHBondContact O-CD1 3.35Å; L88-I92 VanDerWaalsContact O-CG1 3.28Å; L88-I92 WeakPolarHBondContact O-CG1 3.28Å; L88-I92 PolarHBondContact O-N 3.49Å; L88-A108 HydrophobicContact CB-CB 3.83Å; L88-A108 HydrophobicContact CD1-CB 4.4Å; L88-A108 WeakPolarHBondContact CD1-O 3.28Å; L88-L111 HydrophobicContact CD1-CB 4.32Å; L88-L111 HydrophobicContact CD1-CD2 4.47Å; L88-L111 HydrophobicContact CD1-CG 4.47Å; L88-L111 HydrophobicContact CD2-CD2 3.74Å; L88-F112 HydrophobicContact CD1-CB 4.12Å
89S94.7Very high93.2Very high46 Ų4653.8 Ų53.832%0.32228%0.279SS..Hα-helixtrans-63.2-38.2176.9-58.70000112.5L85 E86 N87 K93L85-S89 WeakPolarHBondContact O-CB 3.32Å; L85-S89 PolarHBondContact O-N 2.88Å; L85-S89 PolarHBondContact O-OG 2.9Å; E86-S89 PolarHBondContact O-N 2.96Å; N87-S89 VanDerWaalsContact C-N 3.33Å; N87-S89 PolarHBondContact O-N 3.44Å; S89-K93 VanDerWaalsContact O-CG 3.28Å; S89-K93 WeakPolarHBondContact O-CG 3.13Å; S89-K93 PolarHBondContact O-N 3.02Å; S89-K93 VanDerWaalsContact O-N 3.11Å
90N95.2Very high93.3Very high33 Ų3346.1 Ų46.118%0.17624%0.242CC..Hα-helixtrans-71.5-36.9176.9-70-20.1000111.8V72 E86 N87 L88 A94V72-N90 HydrophobicContact CG1-CB 4.15Å; E86-N90 WeakPolarHBondContact O-CB 3.24Å; E86-N90 VanDerWaalsContact O-CG 3.24Å; E86-N90 PolarHBondContact O-N 3.41Å; E86-N90 PolarHBondContact O-ND2 3.48Å; N87-N90 PolarHBondContact O-N 3.38Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 3.27Å; N90-A94 WeakPolarHBondContact O-CB 3.31Å; N90-A94 PolarHBondContact O-N 3.42Å
91F95.8Very high93.3Very high0 Ų045.6 Ų45.60%024%0.242CC..Hα-helixtrans-61.1-47.7171.1175.4-104.3000112.1L60 M64 N87 L88 K93 A94 M95 F106 L124 L127L60-F91 VanDerWaalsContact C-CD2 3.46Å; L60-F91 HydrophobicContact CB-CB 4.39Å; L60-F91 HydrophobicContact CB-CD1 4.11Å; L60-F91 HydrophobicContact CB-CD2 3.73Å; L60-F91 HydrophobicContact CB-CE1 4.31Å; L60-F91 HydrophobicContact CB-CE2 3.94Å; L60-F91 HydrophobicContact CB-CG 3.8Å; L60-F91 HydrophobicContact CB-CZ 4.23Å; L60-F91 HydrophobicContact CD1-CD1 4.16Å; L60-F91 HydrophobicContact CD1-CE1 4.23Å; L60-F91 HydrophobicContact CD2-CE1 4.33Å; L60-F91 HydrophobicContact CD2-CE2 4.48Å; L60-F91 HydrophobicContact CD2-CZ 4.12Å; L60-F91 WeakPolarHBondContact O-CD2 3.32Å; L60-F91 VanDerWaalsContact O-CE2 3.27Å; L60-F91 WeakPolarHBondContact O-CE2 3.36Å; M64-F91 HydrophobicContact CB-CD2 3.81Å; M64-F91 HydrophobicContact CB-CE2 3.92Å; M64-F91 HydrophobicContact CG-CD2 4.34Å; M64-F91 HydrophobicContact CG-CE2 4.44Å; M64-F91 HydrophobicContact SD-CE2 4.5Å; N87-F91 PolarHBondContact O-N 3Å; L88-F91 WeakPolarHBondContact O-CB 3.47Å; L88-F91 PolarHBondContact O-N 3.3Å; F91-K93 PolarHBondContact O-N 3.33Å; F91-A94 WeakPolarHBondContact O-CB 3.28Å; F91-A94 PolarHBondContact O-N 3.4Å; F91-A94 VanDerWaalsContact O-N 3.11Å; F91-M95 HydrophobicContact CD1-CE 4.29Å; F91-M95 HydrophobicContact CD1-CG 4.39Å; F91-M95 HydrophobicContact CD1-SD 4.29Å; F91-M95 HydrophobicContact CE1-CE 3.77Å; F91-M95 HydrophobicContact CE1-CG 3.94Å; F91-M95 HydrophobicContact CE1-SD 3.41Å; F91-M95 WeakPolarHBondContact CE1-SD 3.41Å; F91-M95 HydrophobicContact CE2-CG 4.22Å; F91-M95 HydrophobicContact CE2-SD 4.41Å; F91-M95 HydrophobicContact CZ-CE 4.45Å; F91-M95 HydrophobicContact CZ-CG 3.86Å; F91-M95 HydrophobicContact CZ-SD 3.5Å; F91-M95 WeakPolarHBondContact CZ-SD 3.4Å; F91-M95 PolarHBondContact O-N 3.49Å; F91-F106 HydrophobicContact CD1-CE1 4.2Å; F91-F106 AromaticContact CD1-CZ 3.99Å; F91-F106 HydrophobicContact CD1-CZ 3.99Å; F91-F106 AromaticContact CE1-CE1 3.83Å; F91-F106 HydrophobicContact CE1-CE1 3.83Å; F91-F106 HydrophobicContact CE1-CZ 4.01Å; F91-L124 HydrophobicContact CE1-CD2 4.47Å; F91-L124 HydrophobicContact CZ-CD2 4.15Å; F91-L127 HydrophobicContact CE2-CD2 4.26Å; F91-L127 HydrophobicContact CZ-CD2 3.84Å
92I94.9Very high93.1Very high28 Ų2846.8 Ų46.814%0.14425%0.254CS..Hα-helixtrans-60.9-44.5178.7-65.3156.5000111.1L88 A94 M95 V96 L105 F106 A108L88-I92 WeakPolarHBondContact O-CD1 3.35Å; L88-I92 VanDerWaalsContact O-CG1 3.28Å; L88-I92 WeakPolarHBondContact O-CG1 3.28Å; L88-I92 PolarHBondContact O-N 3.49Å; I92-A94 VanDerWaalsContact C-N 3.3Å; I92-A94 PolarHBondContact O-N 2.93Å; I92-M95 PolarHBondContact O-N 3.08Å; I92-V96 PolarHBondContact O-N 3.25Å; I92-V96 VanDerWaalsContact O-N 3.09Å; I92-L105 HydrophobicContact CG2-CD1 4.31Å; I92-F106 HydrophobicContact CD1-CD2 4.46Å; I92-F106 HydrophobicContact CD1-CE2 4.27Å; I92-F106 WeakPolarHBondContact CD1-O 3.31Å; I92-F106 HydrophobicContact CG1-CE2 4.46Å; I92-F106 HydrophobicContact CG1-CZ 4.39Å; I92-A108 HydrophobicContact CD1-CB 4.4Å
93K94.4Very high93Very high135 Ų13545.2 Ų45.259%0.58726%0.26SS*.Hα-helixtrans-58.2-41.3173.5-72.2167.3-173.4171.10112.3S89 F91 V96 S97S89-K93 VanDerWaalsContact O-CG 3.28Å; S89-K93 WeakPolarHBondContact O-CG 3.13Å; S89-K93 PolarHBondContact O-N 3.02Å; S89-K93 VanDerWaalsContact O-N 3.11Å; F91-K93 PolarHBondContact O-N 3.33Å; K93-V96 WeakPolarHBondContact O-CB 3.49Å; K93-V96 PolarHBondContact O-N 3.4Å; K93-S97 PolarHBondContact O-N 3.47Å; K93-S97 VanDerWaalsContact O-N 3.1Å
94A94.3Very high92.8Very high2 Ų245.7 Ų45.72%0.01726%0.264CS..Hα-helixtrans-67.9-37.9178.200000112.4M64 V72 N90 F91 I92 V96 S97 Y98M64-A94 HydrophobicContact CG-CB 3.46Å; M64-A94 VanDerWaalsContact CG-CB 3.46Å; M64-A94 HydrophobicContact SD-CB 4.41Å; V72-A94 HydrophobicContact CG2-CB 3.92Å; N90-A94 WeakPolarHBondContact O-CB 3.31Å; N90-A94 PolarHBondContact O-N 3.42Å; F91-A94 WeakPolarHBondContact O-CB 3.28Å; F91-A94 PolarHBondContact O-N 3.4Å; F91-A94 VanDerWaalsContact O-N 3.11Å; I92-A94 VanDerWaalsContact C-N 3.3Å; I92-A94 PolarHBondContact O-N 2.93Å; A94-V96 VanDerWaalsContact C-N 3.33Å; A94-V96 PolarHBondContact O-N 2.9Å; A94-S97 WeakPolarHBondContact CA-OG 3.42Å; A94-S97 PolarHBondContact O-N 2.76Å; A94-S97 VanDerWaalsContact O-N 3.15Å; A94-S97 PolarHBondContact O-OG 3.33Å; A94-Y98 PolarHBondContact O-N 3.45Å
95M93.6Very high92.8Very high0 Ų045.5 Ų45.50%026%0.264CS..Hα-helixtrans-60.1-40.4171.3-69-157-54.800112.5M64 F91 I92 S97 Y98 G99 M100 L105 F106 S123 L127M64-M95 HydrophobicContact SD-CG 4.36Å; F91-M95 HydrophobicContact CD1-CE 4.29Å; F91-M95 HydrophobicContact CD1-CG 4.39Å; F91-M95 HydrophobicContact CD1-SD 4.29Å; F91-M95 HydrophobicContact CE1-CE 3.77Å; F91-M95 HydrophobicContact CE1-CG 3.94Å; F91-M95 HydrophobicContact CE1-SD 3.41Å; F91-M95 WeakPolarHBondContact CE1-SD 3.41Å; F91-M95 HydrophobicContact CE2-CG 4.22Å; F91-M95 HydrophobicContact CE2-SD 4.41Å; F91-M95 HydrophobicContact CZ-CE 4.45Å; F91-M95 HydrophobicContact CZ-CG 3.86Å; F91-M95 HydrophobicContact CZ-SD 3.5Å; F91-M95 WeakPolarHBondContact CZ-SD 3.4Å; F91-M95 PolarHBondContact O-N 3.49Å; I92-M95 PolarHBondContact O-N 3.08Å; M95-S97 VanDerWaalsContact C-N 3.35Å; M95-S97 PolarHBondContact O-N 2.75Å; M95-Y98 WeakPolarHBondContact O-CB 3.31Å; M95-Y98 PolarHBondContact O-N 3.34Å; M95-G99 PolarHBondContact O-N 3.01Å; M95-M100 HydrophobicContact CB-CB 4.4Å; M95-M100 HydrophobicContact CB-CG 4.1Å; M95-M100 VanDerWaalsContact O-CB 3.31Å; M95-M100 WeakPolarHBondContact O-CB 3.41Å; M95-M100 WeakPolarHBondContact O-CG 3.37Å; M95-M100 PolarHBondContact O-N 3.02Å; M95-M100 HydrophobicContact SD-CE 4.1Å; M95-L105 HydrophobicContact CB-CD2 4.06Å; M95-L105 HydrophobicContact CE-CD2 3.8Å; M95-F106 HydrophobicContact CE-CD1 4.23Å; M95-F106 HydrophobicContact CE-CE1 4.02Å; M95-S123 VanDerWaalsContact CE-OG 3.31Å; M95-S123 WeakPolarHBondContact CE-OG 3.42Å; M95-L127 HydrophobicContact CG-CD1 4.35Å; M95-L127 HydrophobicContact CG-CD2 4.42Å; M95-L127 HydrophobicContact SD-CB 4.41Å; M95-L127 HydrophobicContact SD-CD1 4.38Å; M95-L127 HydrophobicContact SD-CD2 3.93Å; M95-L127 HydrophobicContact SD-CG 4.47Å
96V93.8Very high92.9Very high77 Ų7743.5 Ų43.547%0.46725%0.253SS..Hα-helixtrans-58.6-47.3172.3175.60000110.6I92 K93 A94 Y98 G99 L105I92-V96 PolarHBondContact O-N 3.25Å; I92-V96 VanDerWaalsContact O-N 3.09Å; K93-V96 WeakPolarHBondContact O-CB 3.49Å; K93-V96 PolarHBondContact O-N 3.4Å; A94-V96 VanDerWaalsContact C-N 3.33Å; A94-V96 PolarHBondContact O-N 2.9Å; V96-Y98 PolarHBondContact O-N 3.42Å; V96-G99 PolarHBondContact O-N 3.34Å; V96-L105 HydrophobicContact CG2-CD1 3.49Å; V96-L105 VanDerWaalsContact CG2-CD1 3.49Å; V96-L105 HydrophobicContact CG2-CD2 4.47Å
97S92.3Very high92.8Very high76 Ų7646.1 Ų46.153%0.53127%0.265SS..Hα-helixtrans-65.2-23.417871.40000114.1K93 A94 M95 G99K93-S97 PolarHBondContact O-N 3.47Å; K93-S97 VanDerWaalsContact O-N 3.1Å; A94-S97 WeakPolarHBondContact CA-OG 3.42Å; A94-S97 PolarHBondContact O-N 2.76Å; A94-S97 VanDerWaalsContact O-N 3.15Å; A94-S97 PolarHBondContact O-OG 3.33Å; M95-S97 VanDerWaalsContact C-N 3.35Å; M95-S97 PolarHBondContact O-N 2.75Å; S97-G99 PolarHBondContact O-N 2.91Å
98Y91Very high92.7Very high18 Ų1846.7 Ų46.77%0.07127%0.27CS..THydrogen-bonded Turntrans-76.8-3.6173.4-157.9-116.2000113.4M64 L67 Q68 A94 M95 V96 L127 K130 N134M64-Y98 HydrophobicContact CE-CD1 4.44Å; M64-Y98 HydrophobicContact CE-CD2 3.48Å; M64-Y98 VanDerWaalsContact CE-CD2 3.48Å; M64-Y98 HydrophobicContact CE-CE2 4.11Å; M64-Y98 HydrophobicContact CE-CG 3.67Å; L67-Y98 HydrophobicContact CB-CE2 4.22Å; Q68-Y98 HydrophobicContact CB-CD2 4.05Å; Q68-Y98 HydrophobicContact CB-CE2 4.02Å; A94-Y98 PolarHBondContact O-N 3.45Å; M95-Y98 WeakPolarHBondContact O-CB 3.31Å; M95-Y98 PolarHBondContact O-N 3.34Å; V96-Y98 PolarHBondContact O-N 3.42Å; Y98-L127 HydrophobicContact CD1-CD1 3.82Å; Y98-L127 HydrophobicContact CE1-CD1 4.16Å; Y98-K130 HydrophobicContact CD1-CB 4.4Å; Y98-K130 HydrophobicContact CD1-CG 3.76Å; Y98-K130 HydrophobicContact CE1-CB 4.19Å; Y98-K130 HydrophobicContact CE1-CG 3.77Å; Y98-N134 WeakPolarHBondContact CE1-ND2 3.07Å; Y98-N134 PolarHBondContact OH-ND2 2.95Å
99G89.9Confident92.6Very high38 Ų3850.4 Ų50.439%0.39229%0.29SS..THydrogen-bonded Turntrans78.533.7-179.100000114M95 V96 S97 K130M95-G99 PolarHBondContact O-N 3.01Å; V96-G99 PolarHBondContact O-N 3.34Å; S97-G99 PolarHBondContact O-N 2.91Å; G99-K130 WeakPolarHBondContact O-CE 3.34Å; G99-K130 PolarHBondContact O-NZ 3.3Å
100M91.2Very high92.5Very high14 Ų1449.4 Ų49.47%0.06928%0.281CS..  trans-73.9148.1163.5-70.9-86-75.200110.5M95 D104 L105 S123 A126 L127 K130M95-M100 HydrophobicContact CB-CB 4.4Å; M95-M100 HydrophobicContact CB-CG 4.1Å; M95-M100 VanDerWaalsContact O-CB 3.31Å; M95-M100 WeakPolarHBondContact O-CB 3.41Å; M95-M100 WeakPolarHBondContact O-CG 3.37Å; M95-M100 PolarHBondContact O-N 3.02Å; M95-M100 HydrophobicContact SD-CE 4.1Å; M100-D104 HydrophobicContact CE-CB 4.48Å; M100-L105 HydrophobicContact CB-CD2 4Å; M100-S123 VanDerWaalsContact CE-O 3.29Å; M100-S123 WeakPolarHBondContact CE-O 3.44Å; M100-A126 HydrophobicContact CE-CB 3.93Å; M100-A126 HydrophobicContact SD-CB 4.23Å; M100-L127 HydrophobicContact CE-CB 4Å; M100-L127 HydrophobicContact CG-CD1 4.33Å; M100-L127 HydrophobicContact SD-CB 4.14Å; M100-L127 HydrophobicContact SD-CD1 4.29Å; M100-K130 HydrophobicContact SD-CB 4.36Å
101N88.9Confident92.4Very high87 Ų8747.8 Ų47.847%0.46527%0.273SS..  trans-75.3144.1175.4-53.8-55.9000110.6V103 D104N101-V103 HydrophobicContact CB-CG2 3.94Å; N101-V103 PolarHBondContact O-N 3.5Å; N101-V103 VanDerWaalsContact O-N 3.14Å; N101-D104 WeakPolarHBondContact CB-OD2 3.48Å; N101-D104 PolarHBondContact ND2-OD2 3.33Å; N101-D104 PolarHBondContact O-N 3.02Å
102P89.3Confident92.2Very high107 Ų10748.7 Ų48.770%0.69528%0.276SS*.G310 helixtrans-56.4-30.4176.7-28.136.1000115D104 L105P102-D104 VanDerWaalsContact C-N 3.29Å; P102-D104 PolarHBondContact O-N 2.97Å; P102-L105 PolarHBondContact O-N 2.93Å
103V89.3Confident92Very high114 Ų11451.8 Ų51.869%0.69129%0.29SS*.G310 helixtrans-71.4-22.3178.6-61.10000113.7N101 Q119N101-V103 HydrophobicContact CB-CG2 3.94Å; N101-V103 PolarHBondContact O-N 3.5Å; N101-V103 VanDerWaalsContact O-N 3.14Å; V103-Q119 PolarHBondContact O-NE2 3.48Å; V103-Q119 VanDerWaalsContact O-NE2 3.08Å
104D90.3Very high91.6Very high34 Ų3448.2 Ų48.218%0.18228%0.282CS..G310 helixtrans-93.65.1-179.4-58.4-42.9000111.5M100 N101 P102 S123 A126M100-D104 HydrophobicContact CE-CB 4.48Å; N101-D104 WeakPolarHBondContact CB-OD2 3.48Å; N101-D104 PolarHBondContact ND2-OD2 3.33Å; N101-D104 PolarHBondContact O-N 3.02Å; P102-D104 VanDerWaalsContact C-N 3.29Å; P102-D104 PolarHBondContact O-N 2.97Å; D104-S123 WeakPolarHBondContact O-CA 3.31Å; D104-S123 WeakPolarHBondContact O-CB 3.29Å; D104-S123 PolarHBondContact O-OG 2.95Å; D104-A126 HydrophobicContact CB-CB 4.22Å
105L93.1Very high91.1Very high28 Ų2850.3 Ų50.315%0.14730%0.304CS..  trans-89.5154.2178.4-52.6176.3000111.2I92 M95 V96 M100 P102 Q119I92-L105 HydrophobicContact CG2-CD1 4.31Å; M95-L105 HydrophobicContact CB-CD2 4.06Å; M95-L105 HydrophobicContact CE-CD2 3.8Å; V96-L105 HydrophobicContact CG2-CD1 3.49Å; V96-L105 VanDerWaalsContact CG2-CD1 3.49Å; V96-L105 HydrophobicContact CG2-CD2 4.47Å; M100-L105 HydrophobicContact CB-CD2 4Å; P102-L105 PolarHBondContact O-N 2.93Å; L105-Q119 WeakPolarHBondContact O-CG 3.29Å; L105-Q119 PolarHBondContact O-NE2 3.1Å
106F94.6Very high90.8Very high5 Ų551.8 Ų51.82%0.02231%0.312CS..  trans-107.8161.3167.569.5-87000110.7L60 F91 I92 M95 D110 L111 Q119 V120L60-F106 HydrophobicContact CD1-CZ 4.2Å; F91-F106 HydrophobicContact CD1-CE1 4.2Å; F91-F106 AromaticContact CD1-CZ 3.99Å; F91-F106 HydrophobicContact CD1-CZ 3.99Å; F91-F106 AromaticContact CE1-CE1 3.83Å; F91-F106 HydrophobicContact CE1-CE1 3.83Å; F91-F106 HydrophobicContact CE1-CZ 4.01Å; I92-F106 HydrophobicContact CD1-CD2 4.46Å; I92-F106 HydrophobicContact CD1-CE2 4.27Å; I92-F106 WeakPolarHBondContact CD1-O 3.31Å; I92-F106 HydrophobicContact CG1-CE2 4.46Å; I92-F106 HydrophobicContact CG1-CZ 4.39Å; M95-F106 HydrophobicContact CE-CD1 4.23Å; M95-F106 HydrophobicContact CE-CE1 4.02Å; F106-D110 HydrophobicContact CB-CB 4.34Å; F106-D110 HydrophobicContact CD2-CB 4.44Å; F106-L111 HydrophobicContact CD2-CB 4.33Å; F106-L111 HydrophobicContact CE2-CB 3.95Å; F106-L111 HydrophobicContact CE2-CD2 4.17Å; F106-L111 HydrophobicContact CZ-CD2 4.33Å; F106-Q119 HydrophobicContact CB-CB 4.28Å; F106-Q119 HydrophobicContact CB-CG 3.84Å; F106-V120 HydrophobicContact CB-CG2 4.11Å; F106-V120 HydrophobicContact CD1-CG1 4.42Å; F106-V120 HydrophobicContact CD1-CG2 4.49Å; F106-V120 HydrophobicContact CD2-CG2 3.81Å; F106-V120 HydrophobicContact CE1-CG1 4.32Å; F106-V120 HydrophobicContact CE2-CG2 4.37Å; F106-V120 HydrophobicContact CG-CB 4.38Å; F106-V120 HydrophobicContact CG-CG2 3.9Å; F106-V120 HydrophobicContact CZ-CG1 4.45Å
107E93.1Very high90.7Very high125 Ų12549.4 Ų49.458%0.58430%0.296SS*.  trans-89.6150.2173.8-63.1-171.5179.500111.8N109 D110E107-N109 PolarHBondContact O-N 2.85Å; E107-D110 PolarHBondContact N-OD2 3.15Å; E107-D110 VanDerWaalsContact O-CB 3.31Å; E107-D110 WeakPolarHBondContact O-CB 3.19Å; E107-D110 PolarHBondContact O-N 3.5Å
108A92.8Very high90.7Very high14 Ų1446.1 Ų46.112%0.11627%0.272CS..Hα-helixtrans-53.4-31.5178.400000113.4L85 L88 I92 F112L85-A108 HydrophobicContact CD2-CB 3.97Å; L88-A108 HydrophobicContact CB-CB 3.83Å; L88-A108 HydrophobicContact CD1-CB 4.4Å; L88-A108 WeakPolarHBondContact CD1-O 3.28Å; I92-A108 HydrophobicContact CD1-CB 4.4Å; A108-F112 WeakPolarHBondContact O-CB 3.03Å; A108-F112 PolarHBondContact O-N 3.25Å
109N92.3Very high90.7Very high77 Ų7747.6 Ų47.641%0.41228%0.28SS..Hα-helixtrans-70.1-31176.4-62.2-41.4000113.7E107 L111 F112 E113E107-N109 PolarHBondContact O-N 2.85Å; N109-L111 VanDerWaalsContact C-N 3.27Å; N109-L111 PolarHBondContact O-N 2.78Å; N109-F112 PolarHBondContact O-N 3.01Å; N109-E113 PolarHBondContact O-N 3.48Å
110D92.6Very high90.9Very high25 Ų2545.8 Ų45.813%0.13426%0.262CS..Hα-helixtrans-59.8-41.2-178.7-69.8-33.4000111.4F106 E107 S114 G115 N116 V120F106-D110 HydrophobicContact CB-CB 4.34Å; F106-D110 HydrophobicContact CD2-CB 4.44Å; E107-D110 PolarHBondContact N-OD2 3.15Å; E107-D110 VanDerWaalsContact O-CB 3.31Å; E107-D110 WeakPolarHBondContact O-CB 3.19Å; E107-D110 PolarHBondContact O-N 3.5Å; D110-S114 CarbonylContact O-C 3.37Å; D110-S114 VanDerWaalsContact O-CA 3.28Å; D110-S114 WeakPolarHBondContact O-CA 3.25Å; D110-G115 PolarHBondContact O-N 3.38Å; D110-N116 HydrophobicContact CB-CB 4.07Å; D110-N116 PolarHBondContact O-N 3.43Å; D110-N116 VanDerWaalsContact OD1-CB 3.31Å; D110-N116 WeakPolarHBondContact OD1-CB 3.15Å; D110-V120 HydrophobicContact CB-CG2 4.08Å
111L92.8Very high91Very high0 Ų045.4 Ų45.40%026%0.259CS..Hα-helixtrans-86-43.5175.7-17853.2000111.9Q51 L54 L60 L88 F106 N109 S114 M117 V120Q51-L111 HydrophobicContact CG-CD1 4.22Å; Q51-L111 PolarHBondContact NE2-O 3.39Å; L54-L111 HydrophobicContact CB-CD1 4.28Å; L54-L111 HydrophobicContact CB-CD2 3.96Å; L60-L111 HydrophobicContact CD1-CD2 3.61Å; L88-L111 HydrophobicContact CD1-CB 4.32Å; L88-L111 HydrophobicContact CD1-CD2 4.47Å; L88-L111 HydrophobicContact CD1-CG 4.47Å; L88-L111 HydrophobicContact CD2-CD2 3.74Å; F106-L111 HydrophobicContact CD2-CB 4.33Å; F106-L111 HydrophobicContact CE2-CB 3.95Å; F106-L111 HydrophobicContact CE2-CD2 4.17Å; F106-L111 HydrophobicContact CZ-CD2 4.33Å; N109-L111 VanDerWaalsContact C-N 3.27Å; N109-L111 PolarHBondContact O-N 2.78Å; L111-S114 PolarHBondContact O-N 3.18Å; L111-M117 HydrophobicContact CD1-CE 4Å; L111-M117 HydrophobicContact CD1-SD 3.82Å; L111-V120 HydrophobicContact CB-CG2 3.9Å; L111-V120 HydrophobicContact CD1-CG1 4.35Å; L111-V120 HydrophobicContact CD2-CG1 4.35Å
112F91.9Very high91.1Very high18 Ų1844.2 Ų44.28%0.07926%0.255CS..Hα-helixtrans-66.8-40.9-174.1-175.8-91.7000113.5K55 N81 Q84 L85 L88 A108 N109K55-F112 HydrophobicContact CD-CD2 4.39Å; K55-F112 VanDerWaalsContact CE-CE2 3.42Å; K55-F112 WeakPolarHBondContact CE-O 3.47Å; K55-F112 HydrophobicContact CG-CD2 4.02Å; K55-F112 HydrophobicContact CG-CE2 4.45Å; K55-F112 PolarHBondContact NZ-O 3.43Å; N81-F112 HydrophobicContact CB-CE2 4.28Å; N81-F112 HydrophobicContact CB-CZ 3.72Å; Q84-F112 HydrophobicContact CB-CD2 4.28Å; Q84-F112 HydrophobicContact CB-CE2 4.02Å; L85-F112 HydrophobicContact CD2-CB 3.68Å; L85-F112 HydrophobicContact CD2-CD1 4.06Å; L85-F112 HydrophobicContact CD2-CD2 3.97Å; L85-F112 HydrophobicContact CD2-CG 3.63Å; L85-F112 HydrophobicContact CG-CD1 4.47Å; L85-F112 HydrophobicContact CG-CD2 4.08Å; L85-F112 HydrophobicContact CG-CE2 4.36Å; L85-F112 HydrophobicContact CG-CG 4.16Å; L88-F112 HydrophobicContact CD1-CB 4.12Å; A108-F112 WeakPolarHBondContact O-CB 3.03Å; A108-F112 PolarHBondContact O-N 3.25Å; N109-F112 PolarHBondContact O-N 3.01Å
113E90.3Very high91.3Very high94 Ų9439.1 Ų39.144%0.43922%0.222SC..THydrogen-bonded Turntrans-102.37.5179.1-58.3-163.5151.600113.6K8 N109 G115K8-E113 IonicContact NZ-OE2 3.92Å; K8-E113 PolarHBondContact NZ-OE2 3.27Å; N109-E113 PolarHBondContact O-N 3.48Å; E113-G115 PolarHBondContact O-N 2.96Å
114S85.7Confident91.6Very high60 Ų6033.7 Ų33.742%0.4219%0.189SC..  trans51.235.7-168.965.70000113.9D110 L111D110-S114 CarbonylContact O-C 3.37Å; D110-S114 VanDerWaalsContact O-CA 3.28Å; D110-S114 WeakPolarHBondContact O-CA 3.25Å; L111-S114 PolarHBondContact O-N 3.18Å
115G83.9Confident91.6Very high45 Ų4534 Ų3446%0.46419%0.191SC..SBendtrans-62.3-47.4179.600000113.2D110 E113D110-G115 PolarHBondContact O-N 3.38Å; E113-G115 PolarHBondContact O-N 2.96Å
116N88.8Confident91.6Very high31 Ų3133.1 Ų33.117%0.16619%0.188CC..  trans-149.471.9-176.1-169.5-2.3000112D110 T118 Q119 V120D110-N116 HydrophobicContact CB-CB 4.07Å; D110-N116 PolarHBondContact O-N 3.43Å; D110-N116 VanDerWaalsContact OD1-CB 3.31Å; D110-N116 WeakPolarHBondContact OD1-CB 3.15Å; N116-T118 PolarHBondContact O-N 2.71Å; N116-T118 VanDerWaalsContact O-N 3.15Å; N116-Q119 HydrophobicContact CB-CB 4.34Å; N116-Q119 WeakPolarHBondContact ND2-CB 3.31Å; N116-Q119 PolarHBondContact O-N 3.1Å; N116-Q119 VanDerWaalsContact O-N 3.1Å; N116-Q119 PolarHBondContact OD1-N 3.45Å; N116-V120 PolarHBondContact O-N 3.32Å
117M90.6Very high91.4Very high27 Ų2732.9 Ų32.913%0.13319%0.186CC..Hα-helixtrans-58.4-26176.6-72.5-56.1-56.900113.5Y26 F50 Q51 L111 V120 Q121Y26-M117 HydrophobicContact CD2-CB 4.24Å; Y26-M117 HydrophobicContact CE2-CB 3.85Å; F50-M117 HydrophobicContact CD1-CE 4.08Å; F50-M117 HydrophobicContact CE1-CE 4.41Å; Q51-M117 HydrophobicContact CB-CE 3.89Å; Q51-M117 HydrophobicContact CB-SD 3.88Å; Q51-M117 HydrophobicContact CG-CE 4.15Å; Q51-M117 HydrophobicContact CG-CG 4.37Å; Q51-M117 HydrophobicContact CG-SD 3.47Å; Q51-M117 WeakPolarHBondContact CG-SD 3.44Å; L111-M117 HydrophobicContact CD1-CE 4Å; L111-M117 HydrophobicContact CD1-SD 3.82Å; M117-V120 HydrophobicContact CE-CB 4.45Å; M117-V120 WeakPolarHBondContact O-CB 3.36Å; M117-V120 PolarHBondContact O-N 3.49Å; M117-V120 HydrophobicContact SD-CG2 4.39Å; M117-Q121 WeakPolarHBondContact O-CB 3.48Å; M117-Q121 PolarHBondContact O-N 3.24Å
118T91.6Very high91.3Very high7 Ų727 Ų274%0.04316%0.159CC..Hα-helixtrans-63.9-42.1175.1-48.50000111.8L22 K25 N116 Q121 V122L22-T118 WeakPolarHBondContact O-CG2 3.48Å; L22-T118 PolarHBondContact O-OG1 3.15Å; K25-T118 HydrophobicContact CB-CG2 3.81Å; N116-T118 PolarHBondContact O-N 2.71Å; N116-T118 VanDerWaalsContact O-N 3.15Å; T118-Q121 PolarHBondContact O-N 2.91Å; T118-V122 WeakPolarHBondContact O-CG2 3.36Å; T118-V122 PolarHBondContact O-N 3.11Å
119Q91.5Very high91.1Very high50 Ų5026.4 Ų26.423%0.23415%0.154CC..Hα-helixtrans-67-39.2175.5-169.666.213.400111.5V103 L105 F106 N116 Q121 V122 S123V103-Q119 PolarHBondContact O-NE2 3.48Å; V103-Q119 VanDerWaalsContact O-NE2 3.08Å; L105-Q119 WeakPolarHBondContact O-CG 3.29Å; L105-Q119 PolarHBondContact O-NE2 3.1Å; F106-Q119 HydrophobicContact CB-CB 4.28Å; F106-Q119 HydrophobicContact CB-CG 3.84Å; N116-Q119 HydrophobicContact CB-CB 4.34Å; N116-Q119 WeakPolarHBondContact ND2-CB 3.31Å; N116-Q119 PolarHBondContact O-N 3.1Å; N116-Q119 VanDerWaalsContact O-N 3.1Å; N116-Q119 PolarHBondContact OD1-N 3.45Å; Q119-Q121 VanDerWaalsContact C-N 3.33Å; Q119-Q121 PolarHBondContact O-N 3.39Å; Q119-V122 PolarHBondContact O-N 2.91Å; Q119-S123 VanDerWaalsContact O-CB 3.25Å; Q119-S123 WeakPolarHBondContact O-CB 3.49Å; Q119-S123 PolarHBondContact O-N 2.62Å
120V93.8Very high90.9Very high0 Ų025.5 Ų25.50%015%0.146CC..Hα-helixtrans-58.1-46.5173.2-175.20000110.7F106 D110 L111 N116 M117 S123 L124F106-V120 HydrophobicContact CB-CG2 4.11Å; F106-V120 HydrophobicContact CD1-CG1 4.42Å; F106-V120 HydrophobicContact CD1-CG2 4.49Å; F106-V120 HydrophobicContact CD2-CG2 3.81Å; F106-V120 HydrophobicContact CE1-CG1 4.32Å; F106-V120 HydrophobicContact CE2-CG2 4.37Å; F106-V120 HydrophobicContact CG-CB 4.38Å; F106-V120 HydrophobicContact CG-CG2 3.9Å; F106-V120 HydrophobicContact CZ-CG1 4.45Å; D110-V120 HydrophobicContact CB-CG2 4.08Å; L111-V120 HydrophobicContact CB-CG2 3.9Å; L111-V120 HydrophobicContact CD1-CG1 4.35Å; L111-V120 HydrophobicContact CD2-CG1 4.35Å; N116-V120 PolarHBondContact O-N 3.32Å; M117-V120 HydrophobicContact CE-CB 4.45Å; M117-V120 WeakPolarHBondContact O-CB 3.36Å; M117-V120 PolarHBondContact O-N 3.49Å; M117-V120 HydrophobicContact SD-CG2 4.39Å; V120-S123 PolarHBondContact O-N 3.09Å; V120-L124 HydrophobicContact CG1-CD1 3.98Å; V120-L124 VanDerWaalsContact O-CG 3.32Å; V120-L124 WeakPolarHBondContact O-CG 3.46Å; V120-L124 PolarHBondContact O-N 3.41Å
121Q93.2Very high90.8Very high5 Ų524.4 Ų24.42%0.02314%0.141CC..Hα-helixtrans-62.4-48.8178.5178.7171.749.500112.3Y26 D27 E31 L34 M117 T118 Q119 S123 L124 L125Y26-Q121 HydrophobicContact CD2-CB 4.33Å; Y26-Q121 VanDerWaalsContact CD2-OE1 3.27Å; Y26-Q121 HydrophobicContact CE2-CB 3.92Å; Y26-Q121 HydrophobicContact CE2-CG 4.48Å; D27-Q121 VanDerWaalsContact N-OE1 3.09Å; D27-Q121 PolarHBondContact O-NE2 3.01Å; E31-Q121 VanDerWaalsContact N-NE2 3.19Å; L34-Q121 HydrophobicContact CD1-CG 4.05Å; M117-Q121 WeakPolarHBondContact O-CB 3.48Å; M117-Q121 PolarHBondContact O-N 3.24Å; T118-Q121 PolarHBondContact O-N 2.91Å; Q119-Q121 VanDerWaalsContact C-N 3.33Å; Q119-Q121 PolarHBondContact O-N 3.39Å; Q121-S123 VanDerWaalsContact C-N 3.3Å; Q121-S123 PolarHBondContact O-N 3.11Å; Q121-L124 PolarHBondContact O-N 3.17Å; Q121-L125 HydrophobicContact CG-CD1 4.1Å; Q121-L125 WeakPolarHBondContact O-CG 3.37Å; Q121-L125 PolarHBondContact O-N 3.36Å
122V92.3Very high90.5Very high62 Ų6227.5 Ų27.538%0.37616%0.155SC..Hα-helixtrans-59.3-43.5177.3169.80000110.9T118 Q119 L124 L125 A126T118-V122 WeakPolarHBondContact O-CG2 3.36Å; T118-V122 PolarHBondContact O-N 3.11Å; Q119-V122 PolarHBondContact O-N 2.91Å; V122-L124 PolarHBondContact O-N 3.1Å; V122-L125 PolarHBondContact O-N 2.85Å; V122-A126 WeakPolarHBondContact O-CB 3.4Å; V122-A126 PolarHBondContact O-N 2.99Å
123S94.1Very high90Very high0 Ų028.4 Ų28.40%016%0.162CC..Hα-helixtrans-61.8-44.2178.9-160.60000112.7M95 M100 D104 Q119 V120 Q121 A126 L127M95-S123 VanDerWaalsContact CE-OG 3.31Å; M95-S123 WeakPolarHBondContact CE-OG 3.42Å; M100-S123 VanDerWaalsContact CE-O 3.29Å; M100-S123 WeakPolarHBondContact CE-O 3.44Å; D104-S123 WeakPolarHBondContact O-CA 3.31Å; D104-S123 WeakPolarHBondContact O-CB 3.29Å; D104-S123 PolarHBondContact O-OG 2.95Å; Q119-S123 VanDerWaalsContact O-CB 3.25Å; Q119-S123 WeakPolarHBondContact O-CB 3.49Å; Q119-S123 PolarHBondContact O-N 2.62Å; V120-S123 PolarHBondContact O-N 3.09Å; Q121-S123 VanDerWaalsContact C-N 3.3Å; Q121-S123 PolarHBondContact O-N 3.11Å; S123-A126 PolarHBondContact O-N 3.17Å; S123-L127 WeakPolarHBondContact O-CB 3.34Å; S123-L127 PolarHBondContact O-N 3.06Å
124L93.8Very high89.6Confident0 Ų028 Ų280%016%0.162CC..Hα-helixtrans-69.1-34.5177.7-67.8171.1000112.4L34 I38 F50 L54 L60 F91 V120 Q121 V122 L127 A128L34-L124 HydrophobicContact CD1-CB 3.78Å; L34-L124 HydrophobicContact CD1-CD1 4.4Å; L34-L124 HydrophobicContact CD2-CB 3.8Å; L34-L124 HydrophobicContact CG-CB 4.43Å; I38-L124 HydrophobicContact CD1-CD1 4.16Å; I38-L124 HydrophobicContact CD1-CD2 4.46Å; F50-L124 HydrophobicContact CE1-CD1 4.4Å; F50-L124 HydrophobicContact CZ-CD1 4.03Å; L54-L124 HydrophobicContact CD1-CD1 4.26Å; L60-L124 HydrophobicContact CD2-CD2 3.92Å; F91-L124 HydrophobicContact CE1-CD2 4.47Å; F91-L124 HydrophobicContact CZ-CD2 4.15Å; V120-L124 HydrophobicContact CG1-CD1 3.98Å; V120-L124 VanDerWaalsContact O-CG 3.32Å; V120-L124 WeakPolarHBondContact O-CG 3.46Å; V120-L124 PolarHBondContact O-N 3.41Å; Q121-L124 PolarHBondContact O-N 3.17Å; V122-L124 PolarHBondContact O-N 3.1Å; L124-L127 PolarHBondContact O-N 2.74Å; L124-A128 WeakPolarHBondContact O-CB 3.28Å; L124-A128 PolarHBondContact O-N 3.15Å
125L91.9Very high89.1Confident42 Ų4227.9 Ų27.922%0.2217%0.171CC..Hα-helixtrans-66.5-41.7173.1-71.9169.7000112.1K30 L34 Q121 V122 A128 G129 I142K30-L125 HydrophobicContact CB-CD1 4.31Å; K30-L125 HydrophobicContact CD-CD1 4.24Å; K30-L125 HydrophobicContact CD-CD2 3.98Å; L34-L125 HydrophobicContact CD1-CD2 4.34Å; L34-L125 HydrophobicContact CD1-CG 4.14Å; L34-L125 HydrophobicContact CD2-CD2 3.95Å; L34-L125 HydrophobicContact CD2-CG 4.28Å; L34-L125 HydrophobicContact CG-CD2 3.98Å; L34-L125 HydrophobicContact CG-CG 4.31Å; Q121-L125 HydrophobicContact CG-CD1 4.1Å; Q121-L125 WeakPolarHBondContact O-CG 3.37Å; Q121-L125 PolarHBondContact O-N 3.36Å; V122-L125 PolarHBondContact O-N 2.85Å; L125-A128 PolarHBondContact O-N 2.87Å; L125-G129 PolarHBondContact O-N 3.03Å; L125-I142 HydrophobicContact CD2-CG2 3.82Å
126A91.2Very high88.6Confident9 Ų927.6 Ų27.67%0.07416%0.16CC..Hα-helixtrans-64.5-41174.100000111.5M100 D104 V122 S123 A128 G129 K130M100-A126 HydrophobicContact CE-CB 3.93Å; M100-A126 HydrophobicContact SD-CB 4.23Å; D104-A126 HydrophobicContact CB-CB 4.22Å; V122-A126 WeakPolarHBondContact O-CB 3.4Å; V122-A126 PolarHBondContact O-N 2.99Å; S123-A126 PolarHBondContact O-N 3.17Å; A126-A128 PolarHBondContact O-N 3.42Å; A126-G129 PolarHBondContact O-N 2.86Å; A126-K130 WeakPolarHBondContact O-CB 3.45Å; A126-K130 PolarHBondContact O-N 3.19Å
127L92.3Very high87.2Confident0 Ų035.3 Ų35.30%020%0.195CC..Hα-helixtrans-61.5-42.6174.1-177.365.7000111.9W37 L63 M64 L67 F91 M95 Y98 M100 S123 L124 K130 A131W37-L127 HydrophobicContact CH2-CG 4.41Å; L63-L127 HydrophobicContact CD2-CD2 4.27Å; M64-L127 HydrophobicContact SD-CD1 4.42Å; L67-L127 HydrophobicContact CD1-CD1 3.93Å; L67-L127 HydrophobicContact CD1-CD2 3.94Å; L67-L127 HydrophobicContact CD1-CG 3.88Å; F91-L127 HydrophobicContact CE2-CD2 4.26Å; F91-L127 HydrophobicContact CZ-CD2 3.84Å; M95-L127 HydrophobicContact CG-CD1 4.35Å; M95-L127 HydrophobicContact CG-CD2 4.42Å; M95-L127 HydrophobicContact SD-CB 4.41Å; M95-L127 HydrophobicContact SD-CD1 4.38Å; M95-L127 HydrophobicContact SD-CD2 3.93Å; M95-L127 HydrophobicContact SD-CG 4.47Å; Y98-L127 HydrophobicContact CD1-CD1 3.82Å; Y98-L127 HydrophobicContact CE1-CD1 4.16Å; M100-L127 HydrophobicContact CE-CB 4Å; M100-L127 HydrophobicContact CG-CD1 4.33Å; M100-L127 HydrophobicContact SD-CB 4.14Å; M100-L127 HydrophobicContact SD-CD1 4.29Å; S123-L127 WeakPolarHBondContact O-CB 3.34Å; S123-L127 PolarHBondContact O-N 3.06Å; L124-L127 PolarHBondContact O-N 2.74Å; L127-K130 PolarHBondContact O-N 2.91Å; L127-A131 WeakPolarHBondContact O-CB 3.28Å; L127-A131 PolarHBondContact O-N 2.63Å
128A90.8Very high85.9Confident1 Ų135.7 Ų35.71%0.00820%0.2CC..Hα-helixtrans-62.8-45175.600000111.9W37 L124 L125 A126 K130 A131 K132 I142W37-A128 HydrophobicContact CD2-CB 4.15Å; W37-A128 HydrophobicContact CE3-CB 4.2Å; W37-A128 HydrophobicContact CH2-CB 3.87Å; W37-A128 HydrophobicContact CZ2-CB 3.78Å; W37-A128 HydrophobicContact CZ3-CB 4.06Å; L124-A128 WeakPolarHBondContact O-CB 3.28Å; L124-A128 PolarHBondContact O-N 3.15Å; L125-A128 PolarHBondContact O-N 2.87Å; A126-A128 PolarHBondContact O-N 3.42Å; A128-K130 VanDerWaalsContact C-N 3.31Å; A128-K130 PolarHBondContact O-N 3.33Å; A128-A131 PolarHBondContact O-N 3.28Å; A128-K132 WeakPolarHBondContact O-CB 3.29Å; A128-K132 PolarHBondContact O-N 2.97Å; A128-I142 HydrophobicContact CB-CB 4.09Å; A128-I142 HydrophobicContact CB-CG2 3.73Å
129G88.8Confident84.3Confident1 Ų139.9 Ų39.91%0.0125%0.245CC..Hα-helixtrans-59.6-38.7173.300000113.2L125 A126 K132 T133L125-G129 PolarHBondContact O-N 3.03Å; A126-G129 PolarHBondContact O-N 2.86Å; G129-K132 PolarHBondContact O-N 3.02Å; G129-T133 PolarHBondContact O-N 3.46Å
130K88.2Confident82.9Confident58 Ų5839.7 Ų39.725%0.25225%0.247SC..Hα-helixtrans-70.5-38.5175.6-167.578.1-176.2-155.80112.7Y98 G99 M100 A126 L127 A128 K132 T133 N134Y98-K130 HydrophobicContact CD1-CB 4.4Å; Y98-K130 HydrophobicContact CD1-CG 3.76Å; Y98-K130 HydrophobicContact CE1-CB 4.19Å; Y98-K130 HydrophobicContact CE1-CG 3.77Å; G99-K130 WeakPolarHBondContact O-CE 3.34Å; G99-K130 PolarHBondContact O-NZ 3.3Å; M100-K130 HydrophobicContact SD-CB 4.36Å; A126-K130 WeakPolarHBondContact O-CB 3.45Å; A126-K130 PolarHBondContact O-N 3.19Å; L127-K130 PolarHBondContact O-N 2.91Å; A128-K130 VanDerWaalsContact C-N 3.31Å; A128-K130 PolarHBondContact O-N 3.33Å; K130-K132 VanDerWaalsContact C-N 3.31Å; K130-K132 PolarHBondContact O-N 2.89Å; K130-T133 WeakPolarHBondContact CA-OG1 3.18Å; K130-T133 PolarHBondContact O-N 3.08Å; K130-T133 PolarHBondContact O-OG1 2.81Å; K130-N134 PolarHBondContact O-N 3.42Å; K130-N134 PolarHBondContact O-OD1 3.3Å
131A88.8Confident81.6Confident2 Ų245 Ų452%0.01728%0.275CS..Hα-helixtrans-62.2-41.5173.200000111.2W37 L67 L127 A128 T133 N134 G135 V136W37-A131 HydrophobicContact CZ2-CB 3.97Å; L67-A131 HydrophobicContact CD1-CB 4.38Å; L67-A131 HydrophobicContact CD2-CB 3.67Å; L127-A131 WeakPolarHBondContact O-CB 3.28Å; L127-A131 PolarHBondContact O-N 2.63Å; A128-A131 PolarHBondContact O-N 3.28Å; A131-T133 PolarHBondContact O-N 3.32Å; A131-N134 PolarHBondContact O-N 3.02Å; A131-G135 PolarHBondContact O-N 2.8Å; A131-V136 HydrophobicContact CB-CB 4.34Å; A131-V136 PolarHBondContact O-N 3.46Å; A131-V136 VanDerWaalsContact O-N 3.13Å
132K86.4Confident80.5Confident66 Ų6645 Ų4529%0.28728%0.275SS..Hα-helixtrans-63.8-35.4174.6-170-179.2-176.5-1770112.9A128 G129 K130 D141 K145A128-K132 WeakPolarHBondContact O-CB 3.29Å; A128-K132 PolarHBondContact O-N 2.97Å; G129-K132 PolarHBondContact O-N 3.02Å; K130-K132 VanDerWaalsContact C-N 3.31Å; K130-K132 PolarHBondContact O-N 2.89Å; K132-D141 VanDerWaalsContact CE-OD1 3.29Å; K132-D141 WeakPolarHBondContact CE-OD1 3.47Å; K132-D141 IonicContact NZ-OD1 2.76Å; K132-D141 PolarHBondContact NZ-OD1 3.14Å; K132-D141 IonicContact NZ-OD2 2.68Å; K132-D141 PolarHBondContact NZ-OD2 3.02Å; K132-K145 HydrophobicContact CD-CB 4.18Å; K132-K145 HydrophobicContact CG-CB 4.42Å
133T82Confident79.1Confident37 Ų3743.3 Ų43.323%0.22727%0.271CS..Hα-helixtrans-68.5-37.617352.90000112.4G129 K130 A131 G135 K145 Y146G129-T133 PolarHBondContact O-N 3.46Å; K130-T133 WeakPolarHBondContact CA-OG1 3.18Å; K130-T133 PolarHBondContact O-N 3.08Å; K130-T133 PolarHBondContact O-OG1 2.81Å; A131-T133 PolarHBondContact O-N 3.32Å; T133-G135 PolarHBondContact O-N 2.86Å; T133-K145 HydrophobicContact CG2-CB 4.44Å; T133-K145 HydrophobicContact CG2-CG 3.59Å; T133-Y146 HydrophobicContact CG2-CD2 4.09Å; T133-Y146 HydrophobicContact CG2-CG 4.48Å; T133-Y146 WeakPolarHBondContact CG2-O 3.34Å
134N81.6Confident78Confident84 Ų8449.3 Ų49.345%0.44931%0.307SS..THydrogen-bonded Turntrans-78.76.9-178.1-63.60.9000113.2Y98 K130 A131 V136Y98-N134 WeakPolarHBondContact CE1-ND2 3.07Å; Y98-N134 PolarHBondContact OH-ND2 2.95Å; K130-N134 PolarHBondContact O-N 3.42Å; K130-N134 PolarHBondContact O-OD1 3.3Å; A131-N134 PolarHBondContact O-N 3.02Å; N134-V136 PolarHBondContact O-N 3.12Å
135G75Confident76.6Confident58 Ų5855.4 Ų55.460%0.59833%0.333SS*.THydrogen-bonded Turntrans8010.5174.300000115.1A131 T133 Q137A131-G135 PolarHBondContact O-N 2.8Å; T133-G135 PolarHBondContact O-N 2.86Å; G135-Q137 PolarHBondContact O-N 3.37Å
136V73.8Confident75.3Confident40 Ų4058.6 Ų58.624%0.24234%0.343CS..  trans-69.2112.9175.4-176.60000108.8L41 L67 A131 N134 S138L41-V136 HydrophobicContact CD2-CG1 4.43Å; L67-V136 HydrophobicContact CD2-CB 4.49Å; L67-V136 HydrophobicContact CD2-CG1 4Å; L67-V136 HydrophobicContact CD2-CG2 4.36Å; A131-V136 HydrophobicContact CB-CB 4.34Å; A131-V136 PolarHBondContact O-N 3.46Å; A131-V136 VanDerWaalsContact O-N 3.13Å; N134-V136 PolarHBondContact O-N 3.12Å; V136-S138 PolarHBondContact O-N 3.33Å; V136-S138 VanDerWaalsContact O-N 3.14Å
137Q60.3Low73.6Confident192 Ų19264 Ų6490%0.89738%0.381SS*.  trans-78.197.2178.1-64.4-171.99.600110.6G135G135-Q137 PolarHBondContact O-N 3.37Å
138S62.9Low72.2Confident36 Ų3672.7 Ų72.725%0.25242%0.421SS..  trans-89.9140.5162.553.50000110.6W37 V136 V140W37-S138 VanDerWaalsContact CD1-CB 3.4Å; W37-S138 VanDerWaalsContact NE1-CB 3.3Å; W37-S138 PolarHBondContact NE1-OG 2.92Å; W37-S138 VanDerWaalsContact NE1-OG 3.09Å; V136-S138 PolarHBondContact O-N 3.33Å; V136-S138 VanDerWaalsContact O-N 3.14Å; S138-V140 PolarHBondContact O-N 2.88Å; S138-V140 PolarHBondContact OG-O 3.29Å
139G58Low71.3Confident94 Ų9480.7 Ų80.797%0.96946%0.456SS*.SBendtrans-68.7-10177.300000114.8
140V62.3Low70.5Confident46 Ų4688.2 Ų88.228%0.27949%0.491SS..SBendtrans-109.7130.4171.9-165.80000108.1T36 W37 S138 I142T36-V140 HydrophobicContact CG2-CG2 3.84Å; W37-V140 HydrophobicContact CB-CB 4.49Å; S138-V140 PolarHBondContact O-N 2.88Å; S138-V140 PolarHBondContact OG-O 3.29Å; V140-I142 HydrophobicContact CB-CG1 4.31Å; V140-I142 HydrophobicContact CG1-CD1 4.03Å; V140-I142 HydrophobicContact CG1-CG1 3.72Å; V140-I142 PolarHBondContact O-N 3.13Å
141D65.4Low69.8Low113 Ų11391.2 Ų91.260%0.60451%0.506SS*.  trans-82104.3171.1-169.8-9.9000109.9K132K132-D141 VanDerWaalsContact CE-OD1 3.29Å; K132-D141 WeakPolarHBondContact CE-OD1 3.47Å; K132-D141 IonicContact NZ-OD1 2.76Å; K132-D141 PolarHBondContact NZ-OD1 3.14Å; K132-D141 IonicContact NZ-OD2 2.68Å; K132-D141 PolarHBondContact NZ-OD2 3.02Å
142I71.4Confident69.3Low4 Ų499.7 Ų99.72%0.02154%0.537CS..  trans-126.7138.2175.2-57.9-172.2000110.1E33 L34 W37 L125 A128 V140E33-I142 HydrophobicContact CB-CD1 3.68Å; E33-I142 HydrophobicContact CB-CG1 4.29Å; E33-I142 WeakPolarHBondContact O-CD1 3.36Å; L34-I142 HydrophobicContact CD2-CG2 4.4Å; W37-I142 HydrophobicContact CB-CD1 3.32Å; W37-I142 HydrophobicContact CB-CG1 4.26Å; W37-I142 HydrophobicContact CG-CD1 3.92Å; W37-I142 HydrophobicContact CG-CG1 4.49Å; L125-I142 HydrophobicContact CD2-CG2 3.82Å; A128-I142 HydrophobicContact CB-CB 4.09Å; A128-I142 HydrophobicContact CB-CG2 3.73Å; V140-I142 HydrophobicContact CB-CG1 4.31Å; V140-I142 HydrophobicContact CG1-CD1 4.03Å; V140-I142 HydrophobicContact CG1-CG1 3.72Å; V140-I142 PolarHBondContact O-N 3.13Å
143G63Low69Low27 Ų27103.8 Ų103.828%0.27856%0.562SS.*SBendtrans85.7151.9175.300000112.7
144V69.9Low69Low125 Ų125107.7 Ų107.776%0.75858%0.576SS**  trans-78128.1174-178.10000107.8Y146V144-Y146 PolarHBondContact O-N 3.4Å; V144-Y146 VanDerWaalsContact O-N 3.15Å
145K64.9Low69.1Low128 Ų128108.8 Ų108.856%0.55758%0.582SS**  trans-65.6114170.9-174.1-176.7179.9-177.40107.6K132 T133 S147K132-K145 HydrophobicContact CD-CB 4.18Å; K132-K145 HydrophobicContact CG-CB 4.42Å; T133-K145 HydrophobicContact CG2-CB 4.44Å; T133-K145 HydrophobicContact CG2-CG 3.59Å; K145-S147 PolarHBondContact O-N 2.91Å
146Y63.3Low69.3Low109 Ų109111.8 Ų111.843%0.42759%0.585SS.*PPolyproline II helixtrans-59.4135.9174.1-59.4-93.6000110.1T133 V144 E148T133-Y146 HydrophobicContact CG2-CD2 4.09Å; T133-Y146 HydrophobicContact CG2-CG 4.48Å; T133-Y146 WeakPolarHBondContact CG2-O 3.34Å; V144-Y146 PolarHBondContact O-N 3.4Å; V144-Y146 VanDerWaalsContact O-N 3.15Å; Y146-E148 PolarHBondContact O-N 3.47Å
147S57.1Low69.6Low123 Ų123113 Ų11386%0.8660%0.599SS**PPolyproline II helixtrans-70.8128.8175.8-60.30000110.2K145K145-S147 PolarHBondContact O-N 2.91Å
148E62.2Low70.4Confident183 Ų183107.7 Ų107.786%0.85558%0.58SS**PPolyproline II helixtrans-71.1143.9173.5-170.1169.4-172.300110.5Y146 Q150Y146-E148 PolarHBondContact O-N 3.47Å; E148-Q150 PolarHBondContact O-N 3.29Å
149K71.9Confident71.3Confident168 Ų168111.2 Ų111.273%0.7359%0.593SS**  trans-72.195.5177.9-174.8-164.5-178.1-169.40109.3E151K149-E151 HydrophobicContact CD-CG 3.98Å; K149-E151 VanDerWaalsContact CE-OE1 3.24Å; K149-E151 WeakPolarHBondContact CE-OE1 3.24Å; K149-E151 HydrophobicContact CG-CG 4.23Å; K149-E151 IonicContact NZ-OE1 2.97Å; K149-E151 PolarHBondContact NZ-OE1 3.26Å; K149-E151 PolarHBondContact O-N 3.26Å
150Q72.4Confident72.2Confident159 Ų159113.2 Ų113.274%0.74358%0.575SS**  trans-75.692.3173.2-172.5173.2-13.600110.7E148 R152E148-Q150 PolarHBondContact O-N 3.29Å; Q150-R152 PolarHBondContact O-N 2.62Å
151E74.1Confident72.9Confident122 Ų122113.9 Ų113.957%0.5759%0.586SS**  trans-67.7114.4168.8-66.9-171.5164.900110K149 N153K149-E151 HydrophobicContact CD-CG 3.98Å; K149-E151 VanDerWaalsContact CE-OE1 3.24Å; K149-E151 WeakPolarHBondContact CE-OE1 3.24Å; K149-E151 HydrophobicContact CG-CG 4.23Å; K149-E151 IonicContact NZ-OE1 2.97Å; K149-E151 PolarHBondContact NZ-OE1 3.26Å; K149-E151 PolarHBondContact O-N 3.26Å; E151-N153 PolarHBondContact O-N 2.97Å
152R77.3Confident73.4Confident180 Ų180110.7 Ų110.768%0.67958%0.579SS**  trans-85.395.5174.2-69.8-175.5178.7-175.3-0.5109.1Q150 F154Q150-R152 PolarHBondContact O-N 2.62Å; R152-F154 HydrophobicContact CB-CD2 4.45Å; R152-F154 HydrophobicContact CB-CE2 3.83Å; R152-F154 HydrophobicContact CB-CZ 3.95Å; R152-F154 WeakPolarHBondContact O-CD2 3.33Å; R152-F154 PolarHBondContact O-N 3.16Å
153N79.4Confident73.3Confident151 Ų151118.3 Ų118.381%0.80762%0.615SS**  trans-73108.9167.6-66.2-30.9000108.6E151E151-N153 PolarHBondContact O-N 2.97Å
154F83.1Confident73.5Confident119 Ų119121.8 Ų121.852%0.52263%0.633SS.*  trans-88.7144.1169.9-61.3-80.5000109.3R152 T158 M159R152-F154 HydrophobicContact CB-CD2 4.45Å; R152-F154 HydrophobicContact CB-CE2 3.83Å; R152-F154 HydrophobicContact CB-CZ 3.95Å; R152-F154 WeakPolarHBondContact O-CD2 3.33Å; R152-F154 PolarHBondContact O-N 3.16Å; F154-T158 HydrophobicContact CB-CG2 4.5Å; F154-T158 HydrophobicContact CD1-CG2 4.38Å; F154-M159 HydrophobicContact CB-CG 3.92Å; F154-M159 HydrophobicContact CB-SD 3.75Å; F154-M159 HydrophobicContact CD2-SD 4.06Å; F154-M159 HydrophobicContact CG-SD 4.21Å
155D83.8Confident73.3Confident107 Ų107121.1 Ų121.157%0.57263%0.629SS**  trans-63.9149.5173.8178.641.9000111.5A157 T158 M159D155-A157 VanDerWaalsContact C-N 3.27Å; D155-A157 PolarHBondContact O-N 2.97Å; D155-A157 WeakPolarHBondContact OD2-CB 3.4Å; D155-T158 WeakPolarHBondContact O-CA 3.38Å; D155-T158 VanDerWaalsContact O-CB 3.27Å; D155-T158 WeakPolarHBondContact O-CB 3.27Å; D155-T158 PolarHBondContact O-N 2.88Å; D155-M159 PolarHBondContact O-N 3.34Å
156D79.6Confident73.2Confident122 Ų122121 Ų12165%0.65263%0.634SS**Hα-helixtrans-62.2-35.8-175.1-172.255.3000111.6T158 M159 K160D156-T158 VanDerWaalsContact C-N 3.26Å; D156-T158 PolarHBondContact O-N 3.29Å; D156-M159 PolarHBondContact O-N 2.87Å; D156-K160 VanDerWaalsContact O-CB 3.27Å; D156-K160 WeakPolarHBondContact O-CB 3.47Å; D156-K160 PolarHBondContact O-N 3.29Å
157A78.5Confident73.2Confident65 Ų65117.9 Ų117.954%0.53764%0.635SS.*Hα-helixtrans-62.4-32.8172.200000112.6D155 A161D155-A157 VanDerWaalsContact C-N 3.27Å; D155-A157 PolarHBondContact O-N 2.97Å; D155-A157 WeakPolarHBondContact OD2-CB 3.4Å; A157-A161 WeakPolarHBondContact O-CA 3.27Å; A157-A161 PolarHBondContact O-N 2.85Å
158T78.7Confident73.3Confident81 Ų81119.5 Ų119.550%0.49763%0.633SS.*Hα-helixtrans-74.9-41176.3-56.40000111.4F154 D155 D156 A161 G162F154-T158 HydrophobicContact CB-CG2 4.5Å; F154-T158 HydrophobicContact CD1-CG2 4.38Å; D155-T158 WeakPolarHBondContact O-CA 3.38Å; D155-T158 VanDerWaalsContact O-CB 3.27Å; D155-T158 WeakPolarHBondContact O-CB 3.27Å; D155-T158 PolarHBondContact O-N 2.88Å; D156-T158 VanDerWaalsContact C-N 3.26Å; D156-T158 PolarHBondContact O-N 3.29Å; T158-A161 VanDerWaalsContact O-CA 3.28Å; T158-A161 WeakPolarHBondContact O-CA 3.43Å; T158-A161 PolarHBondContact O-N 3.24Å; T158-G162 PolarHBondContact O-N 3.36Å
159M80.6Confident73Confident109 Ų109120 Ų12054%0.53764%0.635SS.*Hα-helixtrans-63.6-43.3175.7-67.6-64.2-74.200111.5F154 D155 D156 G162 Q163F154-M159 HydrophobicContact CB-CG 3.92Å; F154-M159 HydrophobicContact CB-SD 3.75Å; F154-M159 HydrophobicContact CD2-SD 4.06Å; F154-M159 HydrophobicContact CG-SD 4.21Å; D155-M159 PolarHBondContact O-N 3.34Å; D156-M159 PolarHBondContact O-N 2.87Å; M159-G162 PolarHBondContact O-N 3.25Å; M159-Q163 PolarHBondContact O-N 3.37Å
160K77.8Confident72.3Confident137 Ų137119.7 Ų119.760%0.59664%0.638SS**Hα-helixtrans-65.7-39.4172.2-167173.2-174.8174.50112D156 G162 Q163D156-K160 VanDerWaalsContact O-CB 3.27Å; D156-K160 WeakPolarHBondContact O-CB 3.47Å; D156-K160 PolarHBondContact O-N 3.29Å; K160-G162 VanDerWaalsContact C-N 3.31Å; K160-G162 PolarHBondContact O-N 3.4Å; K160-Q163 WeakPolarHBondContact O-CB 3.28Å; K160-Q163 PolarHBondContact O-N 3.15Å; K160-Q163 VanDerWaalsContact O-N 3.11Å
161A76.8Confident71.5Confident60 Ų60115 Ų11550%0.49663%0.633SS.*Hα-helixtrans-36.5-58.8161.400000113.4A157 T158 Q163 C164A157-A161 WeakPolarHBondContact O-CA 3.27Å; A157-A161 PolarHBondContact O-N 2.85Å; T158-A161 VanDerWaalsContact O-CA 3.28Å; T158-A161 WeakPolarHBondContact O-CA 3.43Å; T158-A161 PolarHBondContact O-N 3.24Å; A161-Q163 VanDerWaalsContact C-N 3.31Å; A161-Q163 PolarHBondContact O-N 2.99Å; A161-C164 PolarHBondContact O-N 3.18Å
162G75.6Confident70.3Confident45 Ų45112.6 Ų112.646%0.46463%0.626SS.*Hα-helixtrans-62.8-30.9-178.300000114.4T158 M159 K160 C164 V165T158-G162 PolarHBondContact O-N 3.36Å; M159-G162 PolarHBondContact O-N 3.25Å; K160-G162 VanDerWaalsContact C-N 3.31Å; K160-G162 PolarHBondContact O-N 3.4Å; G162-C164 PolarHBondContact O-N 3.32Å; G162-V165 WeakPolarHBondContact O-CB 3.45Å; G162-V165 PolarHBondContact O-N 3.21Å; G162-V165 VanDerWaalsContact O-N 3.09Å
163Q70.3Confident69.3Low164 Ų164110.6 Ų110.677%0.76663%0.629SS**Hα-helixtrans-67.8-22.3177.3-63.8176.81.200112.9M159 K160 A161 V165M159-Q163 PolarHBondContact O-N 3.37Å; K160-Q163 WeakPolarHBondContact O-CB 3.28Å; K160-Q163 PolarHBondContact O-N 3.15Å; K160-Q163 VanDerWaalsContact O-N 3.11Å; A161-Q163 VanDerWaalsContact C-N 3.31Å; A161-Q163 PolarHBondContact O-N 2.99Å; Q163-V165 VanDerWaalsContact C-N 3.31Å
164C65.9Low67.9Low100 Ų100112.5 Ų112.568%0.67663%0.63SS**THydrogen-bonded Turntrans-81.5-6.2173.7-63.30000113.5A161 G162 I166A161-C164 PolarHBondContact O-N 3.18Å; G162-C164 PolarHBondContact O-N 3.32Å; C164-I166 PolarHBondContact O-N 3.11Å; C164-I166 VanDerWaalsContact O-N 3.15Å
165V67Low66.7Low111 Ų111111.5 Ų111.567%0.67364%0.637SS**  trans-83.990179.3-174.90000110G162 Q163 G167G162-V165 WeakPolarHBondContact O-CB 3.45Å; G162-V165 PolarHBondContact O-N 3.21Å; G162-V165 VanDerWaalsContact O-N 3.09Å; Q163-V165 VanDerWaalsContact C-N 3.31Å; V165-G167 PolarHBondContact O-N 3.09Å
166I61.8Low65.1Low127 Ų127111.5 Ų111.565%0.65165%0.652SS**  trans-69.2113.2175.1-59.7179.1000109.2C164 M170C164-I166 PolarHBondContact O-N 3.11Å; C164-I166 VanDerWaalsContact O-N 3.15Å; I166-M170 HydrophobicContact CG2-CB 3.49Å; I166-M170 VanDerWaalsContact CG2-CB 3.49Å
167G63.5Low63.9Low43 Ų43109.9 Ų109.944%0.44365%0.65SS.*  trans-60.3151.3178.100000112.8V165 Q169 M170V165-G167 PolarHBondContact O-N 3.09Å; G167-Q169 PolarHBondContact O-N 2.73Å; G167-M170 WeakPolarHBondContact O-CB 3.35Å; G167-M170 PolarHBondContact O-N 3.09Å
168L59Low62.6Low157 Ų157114.1 Ų114.182%0.82266%0.659SS**G310 helixtrans-59.1-21.2-167.9-158.6130.3000115.1
169Q56.2Low61.1Low192 Ų192115 Ų11590%0.89767%0.669SS**G310 helixtrans-74.5-22.6173.1-70.9-178.1-2200114.2G167G167-Q169 PolarHBondContact O-N 2.73Å
170M57.3Low59.8Low162 Ų162113.5 Ų113.580%0.79868%0.681SS**G310 helixtrans-97.31.7-173.4-67.9-76.8-78.200113.2I166 G167I166-M170 HydrophobicContact CG2-CB 3.49Å; I166-M170 VanDerWaalsContact CG2-CB 3.49Å; G167-M170 WeakPolarHBondContact O-CB 3.35Å; G167-M170 PolarHBondContact O-N 3.09Å
171G56.2Low58.2Low61 Ų61114.1 Ų114.163%0.62969%0.687SS**SBendtrans-15925.9-171.100000116.5
172T49Very low57Low71 Ų71116.8 Ų116.844%0.43670%0.698SS.*  trans-85.7111.6173.3177.30000111.8K174T172-K174 VanDerWaalsContact C-N 3.32Å; T172-K174 PolarHBondContact OG1-N 2.83Å
173N55.3Low55.6Low138 Ų138117.9 Ų117.974%0.73870%0.703SS**  trans-89.66165.972.5-17.3000112.8C175N173-C175 PolarHBondContact O-N 3.27Å; N173-C175 VanDerWaalsContact O-N 3.12Å
174K49.8Very low54.4Low191 Ų191121.7 Ų121.783%0.8371%0.712SS**  trans-79.315.2-174.3-67-171.5174-1770114.4T172T172-K174 VanDerWaalsContact C-N 3.32Å; T172-K174 PolarHBondContact OG1-N 2.83Å
175C58.8Low53.7Low98 Ų98120.5 Ų120.566%0.66272%0.716SS**SBendtrans-114.4120.8177.8-63.40000109.8N173 S177N173-C175 PolarHBondContact O-N 3.27Å; N173-C175 VanDerWaalsContact O-N 3.12Å; C175-S177 PolarHBondContact O-N 2.96Å
176A49.3Very low52.7Low108 Ų108119.4 Ų119.489%0.89371%0.71SS**  trans25.473.9169.100000117
177S54.7Low51.8Low87 Ų87122.6 Ų122.661%0.60871%0.714SS**  trans-71131.5164.4-179.80000110.6C175 S179C175-S177 PolarHBondContact O-N 2.96Å; S177-S179 WeakPolarHBondContact CB-OG 3.44Å; S177-S179 PolarHBondContact O-N 3.25Å; S177-S179 VanDerWaalsContact OG-CB 3.32Å; S177-S179 WeakPolarHBondContact OG-CB 3.48Å; S177-S179 PolarHBondContact OG-N 3.36Å; S177-S179 PolarHBondContact OG-OG 3.12Å
178Q52.1Low50.8Low154 Ų154132.4 Ų132.472%0.7274%0.738SS**  trans-75.43.7173-157.4-176.836.200112.9G180 M181Q178-G180 PolarHBondContact O-N 2.9Å; Q178-M181 HydrophobicContact CG-CB 4.02Å; Q178-M181 HydrophobicContact CG-CG 4.11Å; Q178-M181 HydrophobicContact CG-SD 4.02Å; Q178-M181 PolarHBondContact O-N 2.8Å
179S45.8Very low50.1Low101 Ų101133.2 Ų133.271%0.70674%0.737SS**THydrogen-bonded Turntrans-59.499.8174.155.90000111.1S177S177-S179 WeakPolarHBondContact CB-OG 3.44Å; S177-S179 PolarHBondContact O-N 3.25Å; S177-S179 VanDerWaalsContact OG-CB 3.32Å; S177-S179 WeakPolarHBondContact OG-CB 3.48Å; S177-S179 PolarHBondContact OG-N 3.36Å; S177-S179 PolarHBondContact OG-OG 3.12Å
180G52.8Low49.2Very low77 Ų77132.5 Ų132.579%0.79474%0.738SS**THydrogen-bonded Turntrans117.70178.100000116.3Q178 T182Q178-G180 PolarHBondContact O-N 2.9Å; G180-T182 PolarHBondContact O-N 2.73Å
181M44.4Very low48.4Very low149 Ų149133.5 Ų133.573%0.73473%0.734SS**PPolyproline II helixtrans-81.5116.1174.4-68.7-165.274.500112.4Q178Q178-M181 HydrophobicContact CG-CB 4.02Å; Q178-M181 HydrophobicContact CG-CG 4.11Å; Q178-M181 HydrophobicContact CG-SD 4.02Å; Q178-M181 PolarHBondContact O-N 2.8Å
182T51.3Low47.8Very low116 Ų116135.2 Ų135.271%0.71273%0.729SS**PPolyproline II helixtrans-75.5131.4169.8-32.30000110.5G180 T186G180-T182 PolarHBondContact O-N 2.73Å; T182-T186 HydrophobicContact CG2-CG2 4.44Å
183A47Very low47.7Very low69 Ų69137.1 Ų137.157%0.5774%0.743SS**PPolyproline II helixtrans-64.6140.5-18000000112.6G185 T186A183-G185 PolarHBondContact O-N 3.22Å; A183-T186 PolarHBondContact O-N 3.47Å; A183-T186 PolarHBondContact O-OG1 3.25Å
184Y44.8Very low47.5Very low243 Ų243138.5 Ų138.595%0.95374%0.742SS**THydrogen-bonded Turntrans-63.7119.4173.9-104.1-91.6000110.2
185G52.3Low47.4Very low75 Ų75135.1 Ų135.177%0.77373%0.733SS**THydrogen-bonded Turntrans105.6-8.8-177.700000115.1A183 R187A183-G185 PolarHBondContact O-N 3.22Å; G185-R187 PolarHBondContact O-N 3.21Å
186T45.3Very low47.1Very low89 Ų89139.3 Ų139.355%0.54674%0.743SS.*  trans-62.4126169-55.50000109.6T182 A183 R188T182-T186 HydrophobicContact CG2-CG2 4.44Å; A183-T186 PolarHBondContact O-N 3.47Å; A183-T186 PolarHBondContact O-OG1 3.25Å; T186-R188 PolarHBondContact O-N 3.06Å
187R42.2Very low47Very low194 Ų194141.1 Ų141.173%0.73274%0.736SS**  trans-65.5129.6179.8-61.4-172.2-169.1-115.617.1109.6G185 H189G185-R187 PolarHBondContact O-N 3.21Å; R187-H189 PolarHBondContact O-N 3.46Å
188R43.7Very low46.7Very low249 Ų249144.5 Ų144.594%0.9475%0.746SS**  trans-63.1108.6163.4-72.8179.8170.5171-4.1107.7T186 L190T186-R188 PolarHBondContact O-N 3.06Å; R188-L190 PolarHBondContact O-N 2.94Å
189H44.4Very low46.4Very low174 Ų174142.3 Ų142.381%0.80675%0.745SS**PPolyproline II helixtrans-65.1123.4168.1-83.1-111.4000108.1R187 Y191R187-H189 PolarHBondContact O-N 3.46Å; H189-Y191 PolarHBondContact O-N 3.16Å
190L37.7Very low46.3Very low176 Ų176143.4 Ų143.492%0.92175%0.75SS**PPolyproline II helixtrans-69.9122.7166.6-159.171.7000106.6R188 D192R188-L190 PolarHBondContact O-N 2.94Å; L190-D192 PolarHBondContact O-N 3.09Å
191Y40.7Very low46Very low184 Ų184148 Ų14872%0.72275%0.753SS**PPolyproline II helixtrans-75.4119.3-169.1-149.8-88.8000110.1H189H189-Y191 PolarHBondContact O-N 3.16Å
192D42.3Very low45.6Very low96 Ų96147.2 Ų147.251%0.51375%0.752SS.*PPolyproline II helixtrans-90.3117.3161.6-173.2-26.7000107.6L190 K194L190-D192 PolarHBondContact O-N 3.09Å; D192-K194 PolarHBondContact O-N 3.39Å; D192-K194 PolarHBondContact OD1-N 3.39Å; D192-K194 VanDerWaalsContact OD1-N 3.16Å
193P48Very low45.4Very low111 Ų111149 Ų14972%0.72175%0.752SS**THydrogen-bonded Turntrans-61.2-4.1-176.7-24.735.2000116.3
194K50.8Low45.2Very low167 Ų167150.1 Ų150.173%0.72676%0.755SS**THydrogen-bonded Turntrans-91.2-10.1-175.2-67.1-179.5178.2178.20115.7D192 H196D192-K194 PolarHBondContact O-N 3.39Å; D192-K194 PolarHBondContact OD1-N 3.39Å; D192-K194 VanDerWaalsContact OD1-N 3.16Å; K194-H196 PolarHBondContact O-N 3.33Å
195N47.4Very low45.1Very low120 Ų120144.9 Ų144.964%0.64275%0.749SS**  trans-93.499.6178.7-79.4-7.6000111.7I197N195-I197 PolarHBondContact O-N 3.07Å; N195-I197 VanDerWaalsContact O-N 3.09Å
196H51.6Low44.6Very low187 Ų187148.4 Ų148.487%0.86675%0.748SS**  trans-67102.4174.2-60.4-73.3000111.6K194K194-H196 PolarHBondContact O-N 3.33Å
197I48.5Very low44.3Very low146 Ų146149 Ų14975%0.74976%0.756SS**  trans-111.9123.5166.4-56.9178.3000107.6N195N195-I197 PolarHBondContact O-N 3.07Å; N195-I197 VanDerWaalsContact O-N 3.09Å
198L47.8Very low44.5Very low157 Ų157148.7 Ų148.782%0.82277%0.768SS**PPolyproline II helixtrans-68.8147.3-179.1-67.4168.7000111.2
199P46.3Very low44.6Very low108 Ų108145.3 Ų145.370%0.70176%0.763SS**PPolyproline II helixtrans-65.7150.6174.928.3-34.6000111.4
200P43.8Very low44.4Very low124 Ų124143.9 Ų143.981%0.80577%0.766SS**PPolyproline II helixtrans-62.1141176.7-19.632.2000111.8
201M45.5Very low44.4Very low173 Ų173139.2 Ų139.285%0.85276%0.761SS**PPolyproline II helixtrans-73160.8178-75.5-150.1-70.600113.5H203M201-H203 PolarHBondContact O-ND1 3.37Å
202D37Very low44.6Very low134 Ų134135.8 Ų135.872%0.71776%0.759SS**PPolyproline II helixtrans-65.9146.9-174.6-174.926.5000113.5S204D202-S204 WeakPolarHBondContact OD2-CB 3.32Å; D202-S204 PolarHBondContact OD2-OG 3.22Å
203H47.8Very low44.9Very low154 Ų154139.1 Ų139.171%0.71378%0.777SS**  trans-101.627.7-172.6-69.771.3000112.9M201 T205M201-H203 PolarHBondContact O-ND1 3.37Å; H203-T205 PolarHBondContact O-N 3.2Å; H203-T205 VanDerWaalsContact O-N 3.09Å
204S41.2Very low44.7Very low92 Ų92142 Ų14264%0.64378%0.778SS**  trans-74.55.3-169.339.70000115.9D202D202-S204 WeakPolarHBondContact OD2-CB 3.32Å; D202-S204 PolarHBondContact OD2-OG 3.22Å
205T42.4Very low44.3Very low133 Ų133140.2 Ų140.282%0.81679%0.785SS**  trans-132.4101.7172.3-45.90000111.6H203H203-T205 PolarHBondContact O-N 3.2Å; H203-T205 VanDerWaalsContact O-N 3.09Å
206I42.5Very low44Very low149 Ų149139.3 Ų139.376%0.76479%0.794SS**  trans-103.6115.4171.2-60177.2000108.5
207S38.4Very low43.9Very low102 Ų102135 Ų13571%0.71379%0.785SS**  trans-72.3152.5174.950.70000111.9Q209S207-Q209 VanDerWaalsContact C-N 3.25Å; S207-Q209 PolarHBondContact O-N 3.22Å
208L46.3Very low43.8Very low186 Ų186134.3 Ų134.397%0.97478%0.779SS**SBendtrans-73.454.2-164.3-158.990.3000114.8
209Q46.3Very low43.5Very low178 Ų178133.1 Ų133.183%0.83278%0.777SS**  trans-152.159.9-179.9-157.6-176.7-7.600115.7S207S207-Q209 VanDerWaalsContact C-N 3.25Å; S207-Q209 PolarHBondContact O-N 3.22Å
210V41Very low43.5Very low145 Ų145131.7 Ų131.788%0.87978%0.782SS**  trans-141.7119.7153.8-168.90000109.4
211G37.9Very low43.1Very low78 Ų78132.2 Ų132.280%0.80478%0.776SS**  trans-15830.3-172.600000115.1
212T43.8Very low43.2Very low112 Ų112130.2 Ų130.269%0.68777%0.773SS**  trans-160.4113.3169.3156.60000112.4
213N49.9Very low43.4Very low165 Ų165127.6 Ų127.688%0.88277%0.77SS**  trans-117.750.4159.846.8-41.3000109.7C215N213-C215 PolarHBondContact O-N 3.37Å
214K42.8Very low43Very low173 Ų173126.2 Ų126.275%0.75278%0.775SS**  trans-74.686.7169.7-75-170.9175.9-178.10110.9
215C43Very low43.1Very low129 Ų129125.3 Ų125.387%0.87278%0.78SS**SBendtrans64129.6163.7-50.70000115.5N213N213-C215 PolarHBondContact O-N 3.37Å
216A40.2Very low43.3Very low100 Ų100125.6 Ų125.683%0.82678%0.782SS**  cis-111.8144.825.300000114.4
217S50Low43Very low97 Ų97129.9 Ų129.968%0.67879%0.788SS**  trans-84.6116.8164.6178.30000109V219S217-V219 VanDerWaalsContact C-N 3.26Å; S217-V219 PolarHBondContact O-N 3.12Å; S217-V219 VanDerWaalsContact OG-CG2 3.32Å; S217-V219 WeakPolarHBondContact OG-CG2 3.32Å
218Q46.7Very low43.3Very low132 Ų132135.1 Ų135.162%0.61779%0.792SS**  trans-93.935.5174.6-153.5-178.419.400112.1G220 M221Q218-G220 PolarHBondContact O-N 3.11Å; Q218-G220 VanDerWaalsContact O-N 3.11Å; Q218-M221 HydrophobicContact CG-CB 3.66Å; Q218-M221 HydrophobicContact CG-CE 4.13Å; Q218-M221 HydrophobicContact CG-CG 3.52Å; Q218-M221 HydrophobicContact CG-SD 3.67Å; Q218-M221 PolarHBondContact NE2-SD 3.43Å
219V41.2Very low42.8Very low131 Ų131133.8 Ų133.879%0.79478%0.781SS**THydrogen-bonded Turntrans-62.4114.7171.9168.90000108.9S217S217-V219 VanDerWaalsContact C-N 3.26Å; S217-V219 PolarHBondContact O-N 3.12Å; S217-V219 VanDerWaalsContact OG-CG2 3.32Å; S217-V219 WeakPolarHBondContact OG-CG2 3.32Å
220G45.7Very low42.6Very low78 Ų78133.3 Ų133.380%0.80478%0.782SS**THydrogen-bonded Turntrans92.56.8171.800000117.3Q218Q218-G220 PolarHBondContact O-N 3.11Å; Q218-G220 VanDerWaalsContact O-N 3.11Å
221M35.5Very low42.4Very low136 Ų136136.2 Ų136.267%0.6778%0.779SS**PPolyproline II helixtrans-82.8127.5170-58.9-162.2-165.600112.2Q218Q218-M221 HydrophobicContact CG-CB 3.66Å; Q218-M221 HydrophobicContact CG-CE 4.13Å; Q218-M221 HydrophobicContact CG-CG 3.52Å; Q218-M221 HydrophobicContact CG-SD 3.67Å; Q218-M221 PolarHBondContact NE2-SD 3.43Å
222T47.1Very low42.5Very low130 Ų130137.9 Ų137.980%0.79877%0.77SS**PPolyproline II helixtrans-66.3133.4167.2-53.90000110.4P224T222-P224 WeakPolarHBondContact O-CD 3.4Å
223A42.3Very low42.4Very low79 Ų79139.4 Ų139.465%0.65378%0.779SS**PPolyproline II helixtrans-61.9125.117800000112
224P38.2Very low42.2Very low126 Ų126139.8 Ų139.882%0.81877%0.773SS**SBendtrans-70.7141.9168.8-14.329.6000110.8T222T222-P224 WeakPolarHBondContact O-CD 3.4Å
225G45Very low42.3Very low72 Ų72138.5 Ų138.574%0.74277%0.773SS**  trans115.418.4162.300000118.8R227G225-R227 VanDerWaalsContact C-N 3.31Å; G225-R227 PolarHBondContact O-N 3.35Å
226T45.8Very low42.8Very low140 Ų140136.2 Ų136.286%0.85977%0.772SS**  trans-76.369.4179.7-39.10000114.6
227R35.8Very low42.7Very low238 Ų238137.6 Ų137.690%0.89877%0.77SS**SBendtrans-158.1154.6140.3-129.4-172.7-176.3-142.82.9112G225G225-R227 VanDerWaalsContact C-N 3.31Å; G225-R227 PolarHBondContact O-N 3.35Å
228R44.3Very low42.5Very low212 Ų212140.6 Ų140.680%0.878%0.779SS**PPolyproline II helixtrans-81.5142.9-171.2-58.5176.3-179163.52.5112.2
229H35.6Very low42.2Very low159 Ų159144.2 Ų144.274%0.73679%0.792SS**PPolyproline II helixtrans-95141.3155.4-78.1-109.4000109.9Y231H229-Y231 HydrophobicContact CB-CD2 4.43Å; H229-Y231 HydrophobicContact CB-CE2 4.13Å
230I42.7Very low42.1Very low168 Ų168144.4 Ų144.486%0.86280%0.798SS**PPolyproline II helixtrans-91.3130.6162.6-63.7169.9000105.5
231Y37.5Very low41.6Very low205 Ų205146.8 Ų146.880%0.80479%0.792SS**PPolyproline II helixtrans-102.8132.4172.1-83.8-92.1000109.7H229H229-Y231 HydrophobicContact CB-CD2 4.43Å; H229-Y231 HydrophobicContact CB-CE2 4.13Å
232D38.7Very low42.2Very low114 Ų114148 Ų14861%0.6180%0.801SS**PPolyproline II helixtrans-93132.7159.9-173.3-3000108.3K234D232-K234 PolarHBondContact O-N 3.32Å; D232-K234 VanDerWaalsContact O-N 3.11Å
233T42Very low41.7Very low143 Ų143146.4 Ų146.488%0.87780%0.795SS**THydrogen-bonded Turntrans-80.213-168.2-29.50000113.4
234K45.9Very low41.5Very low174 Ų174148.1 Ų148.176%0.75780%0.803SS**THydrogen-bonded Turntrans-106.1-3.1-165-72.5-177.1177.8178.70117.1D232D232-K234 PolarHBondContact O-N 3.32Å; D232-K234 VanDerWaalsContact O-N 3.11Å
235L44.7Very low41.5Very low145 Ų145152.1 Ų152.176%0.75981%0.807SS**SBendtrans-107.6-3.2-170.6-72.8173.6000117.1T237L235-T237 PolarHBondContact O-N 3.24Å; L235-T237 VanDerWaalsContact O-N 3.13Å
236G53Low41Very low82 Ų82154.6 Ų154.685%0.84581%0.813SS**  trans57.533.115300000119.3
237T39.2Very low40.6Very low129 Ų129156.2 Ų156.279%0.79182%0.816SS**  trans-104.771.9179.656.70000113.6L235L235-T237 PolarHBondContact O-N 3.24Å; L235-T237 VanDerWaalsContact O-N 3.13Å
238D46.7Very low40.5Very low160 Ų160154.2 Ų154.286%0.85682%0.816SS**  trans-112.675.7170.8-86.4-45.7000111.4
239K40.2Very low39.9Very low207 Ų207153.3 Ų153.390%0.982%0.824SS**  trans-152.9114.7162.3-66.3-164-178.5-176.60112.7
240C39.2Very low39.7Very low135 Ų135148.4 Ų148.491%0.91282%0.816SS**  trans-133.8130.1151.7-71.40000108.3
241D34.8Very low39.6Very low129 Ų129151.1 Ų151.169%0.6982%0.817SS**  trans-94.2150.6-174.7-176.621.1000111.2S243D241-S243 VanDerWaalsContact CG-OG 3.27Å; D241-S243 VanDerWaalsContact OD2-CB 3.23Å; D241-S243 WeakPolarHBondContact OD2-CB 3.36Å; D241-S243 PolarHBondContact OD2-OG 3.01Å
242N46.7Very low40Very low160 Ų160147.3 Ų147.386%0.85682%0.815SS**  trans-11933.9-174.8-88.6-23.3000111.9S244N242-S244 VanDerWaalsContact C-N 3.34Å; N242-S244 PolarHBondContact O-N 3.06Å
243S37.9Very low40.3Very low97 Ų97150.4 Ų150.468%0.67883%0.826SS**  trans-83.718.2-164.851.90000116.7D241D241-S243 VanDerWaalsContact CG-OG 3.27Å; D241-S243 VanDerWaalsContact OD2-CB 3.23Å; D241-S243 WeakPolarHBondContact OD2-CB 3.36Å; D241-S243 PolarHBondContact OD2-OG 3.01Å
244S36.7Very low40.5Very low116 Ų116146.4 Ų146.481%0.81181%0.813SS**  trans-138.3131169.968.40000113.8N242N242-S244 VanDerWaalsContact C-N 3.34Å; N242-S244 PolarHBondContact O-N 3.06Å
245K38.7Very low40.3Very low210 Ų210143.5 Ų143.591%0.91382%0.822SS**  trans-145.4104177-165.6178.3-131.7171.60108.6
246S34.6Very low40.2Very low123 Ų123142.9 Ų142.986%0.8682%0.819SS**  trans-81142.4179.545.50000111.8
247L38.8Very low39.9Very low175 Ų175146.8 Ų146.892%0.91682%0.815SS**  trans-95.6111.5174.9-81.3156.2000109.7
248Q33.1Very low39.8Very low195 Ų195145.1 Ų145.191%0.91181%0.809SS**  trans-155.1143147.9-150.9155.1-11.600112.3
249M31.3Very low39.9Very low194 Ų194141 Ų14196%0.95681%0.805SS**  trans-69.8133.9-176-71.6-102.1-78.700112.3
250G32Very low39.6Very low56 Ų56137.6 Ų137.658%0.57779%0.792SS**  trans-164.7113.4174.400000112.9T252G250-T252 PolarHBondContact O-N 2.94Å; G250-T252 PolarHBondContact O-OG1 2.96Å; G250-T252 VanDerWaalsContact O-OG1 3.12Å
251Y40.6Very low39.6Very low225 Ų225137.1 Ų137.188%0.88278%0.784SS**  trans-59.7119179174.6-94.3000112.2
252T44.4Very low39.9Very low124 Ų124139.5 Ų139.576%0.76179%0.789SS**  trans-146.548.5-168.8420000114.4G250 G254G250-T252 PolarHBondContact O-N 2.94Å; G250-T252 PolarHBondContact O-OG1 2.96Å; G250-T252 VanDerWaalsContact O-OG1 3.12Å; T252-G254 PolarHBondContact O-N 3.22Å
253Q45.1Very low39.9Very low179 Ų179134.9 Ų134.984%0.83678%0.779SS**  trans-94.668.8165-77.5-165.2-12.300112
254G47.3Very low40Very low59 Ų59138 Ų13861%0.60879%0.788SS**SBendtrans-149.8156.6165.900000108T252 N256T252-G254 PolarHBondContact O-N 3.22Å; G254-N256 PolarHBondContact O-N 2.86Å
255A41.4Very low40.2Very low114 Ų114136 Ų13694%0.94279%0.786SS**  trans-59.8110.3-172.600000112.4
256N41.8Very low40.3Very low132 Ų132137.3 Ų137.371%0.70679%0.785SS**  trans-88.4123.3168.4-177.34.4000109.4G254 S258G254-N256 PolarHBondContact O-N 2.86Å; N256-S258 VanDerWaalsContact CG-OG 3.3Å; N256-S258 PolarHBondContact ND2-OG 3.08Å; N256-S258 WeakPolarHBondContact OD1-CB 3.23Å; N256-S258 PolarHBondContact OD1-N 3.27Å; N256-S258 PolarHBondContact OD1-OG 3.08Å; N256-S258 VanDerWaalsContact OD1-OG 3.06Å
257Q47.4Very low40.6Very low163 Ų163140.9 Ų140.976%0.76279%0.788SS**  trans-94.73.8-177.6-152.8173.865.200113.1G259Q257-G259 PolarHBondContact O-N 3.26Å; Q257-G259 VanDerWaalsContact O-N 3.08Å
258S36.5Very low40.8Very low94 Ų94139.8 Ų139.866%0.65778%0.781SS**THydrogen-bonded Turntrans-67.2105.3177.7690000111.6N256N256-S258 VanDerWaalsContact CG-OG 3.3Å; N256-S258 PolarHBondContact ND2-OG 3.08Å; N256-S258 WeakPolarHBondContact OD1-CB 3.23Å; N256-S258 PolarHBondContact OD1-N 3.27Å; N256-S258 PolarHBondContact OD1-OG 3.08Å; N256-S258 VanDerWaalsContact OD1-OG 3.06Å
259G48.6Very low41.3Very low74 Ų74138.6 Ų138.676%0.76377%0.77SS**THydrogen-bonded Turntrans138.4-6.8171.700000116.3Q257 V261Q257-G259 PolarHBondContact O-N 3.26Å; Q257-G259 VanDerWaalsContact O-N 3.08Å; G259-V261 PolarHBondContact O-N 2.61Å
260Q35.3Very low41.9Very low136 Ų136132.5 Ų132.564%0.63674%0.741SS**  trans-86.893.2178.4-69.6-168.4-20.900112.5F262Q260-F262 HydrophobicContact CB-CD2 4.18Å; Q260-F262 HydrophobicContact CB-CE2 4.08Å; Q260-F262 PolarHBondContact O-N 3.13Å
261V37.4Very low42.6Very low124 Ų124134.2 Ų134.275%0.75274%0.742SS**  trans-76.3101.1161.7178.60000108.7G259 G263G259-V261 PolarHBondContact O-N 2.61Å; V261-G263 PolarHBondContact O-N 3.11Å; V261-G263 VanDerWaalsContact O-N 3.08Å
262F41Very low43Very low179 Ų179132.1 Ų132.179%0.78574%0.737SS**  trans-76.890.6171.7-90.2-85.8000111.1Q260Q260-F262 HydrophobicContact CB-CD2 4.18Å; Q260-F262 HydrophobicContact CB-CE2 4.08Å; Q260-F262 PolarHBondContact O-N 3.13Å
263G46.8Very low43.2Very low63 Ų63135.3 Ų135.365%0.64974%0.737SS**  trans69.7109162.700000115.7V261V261-G263 PolarHBondContact O-N 3.11Å; V261-G263 VanDerWaalsContact O-N 3.08Å
264L40Very low43Very low163 Ų163129.4 Ų129.485%0.85372%0.715SS**PPolyproline II helixtrans-64.2139.4161.6-67174.7000109.8
265G40.9Very low42.8Very low75 Ų75132.6 Ų132.677%0.77373%0.725SS**PPolyproline II helixtrans-59141.3-172.200000113.5
266R42.2Very low42.8Very low236 Ų236135.8 Ų135.889%0.89172%0.72SS**PPolyproline II helixtrans-74.6132.3171.6-69.2175.5173-115.31.5109.8
267Q39.5Very low42.5Very low199 Ų199133.6 Ų133.693%0.9373%0.728SS**PPolyproline II helixtrans-79.5121.3160.8-154.3166.92400108.5
268I44.7Very low41.9Very low152 Ų152132.1 Ų132.178%0.77973%0.731SS**PPolyproline II helixtrans-88.2125.1176.5-61.4175000107.7
269Y42.3Very low41.9Very low169 Ų169134.2 Ų134.266%0.66374%0.74SS**  trans-95113168.2-178.6-95.5000108.9P271 C274Y269-P271 HydrophobicContact CD1-CG 4.37Å; Y269-P271 HydrophobicContact CE1-CG 4.01Å; Y269-C274 HydrophobicContact CE2-CB 3.79Å
270D43.9Very low41.2Very low66 Ų66134.6 Ų134.635%0.35374%0.735SS.*  trans-109116.7172.9-173.5-18.8000109.5K272 Y273 C274D270-K272 PolarHBondContact O-N 3.45Å; D270-K272 WeakPolarHBondContact OD1-CB 3.49Å; D270-K272 PolarHBondContact OD1-N 2.98Å; D270-Y273 HydrophobicContact CB-CD2 3.97Å; D270-Y273 PolarHBondContact O-N 2.89Å; D270-Y273 WeakPolarHBondContact OD2-CD2 3.41Å; D270-C274 PolarHBondContact O-N 3.03Å
271P46.7Very low41.1Very low93 Ų93136.2 Ų136.260%0.60475%0.748SS**THydrogen-bonded Turntrans-59.1-11.1176.6-2333.2000115.7Y269Y269-P271 HydrophobicContact CD1-CG 4.37Å; Y269-P271 HydrophobicContact CE1-CG 4.01Å
272K49.9Very low40.7Very low180 Ų180134.3 Ų134.378%0.78375%0.753SS**THydrogen-bonded Turntrans-82.9-16171.2-86.2-175.3171.7-178.60114.7D270D270-K272 PolarHBondContact O-N 3.45Å; D270-K272 WeakPolarHBondContact OD1-CB 3.49Å; D270-K272 PolarHBondContact OD1-N 2.98Å
273Y48Very low40.1Very low191 Ų191130.4 Ų130.475%0.74975%0.754SS**THydrogen-bonded Turntrans-121.88.5-174.3-61.5-75.6000114D270D270-Y273 HydrophobicContact CB-CD2 3.97Å; D270-Y273 PolarHBondContact O-N 2.89Å; D270-Y273 WeakPolarHBondContact OD2-CD2 3.41Å
274C41.8Very low39.9Very low55 Ų55132.8 Ų132.837%0.37276%0.758SS.*SBendtrans-116.4124.8164.8-70.50000109.5Y269 D270Y269-C274 HydrophobicContact CE2-CB 3.79Å; D270-C274 PolarHBondContact O-N 3.03Å
275P42.9Very low39.4Very low126 Ų126130.9 Ų130.982%0.81876%0.759SS**  trans-67.4142-175.727.6-34.2000111.3G277P275-G277 PolarHBondContact O-N 3.26Å
276Q40.6Very low38.8Very low182 Ų182130.6 Ų130.685%0.8576%0.756SS**  trans-67.6117.5166.9-74.8147.6-10.700108.2T278Q276-T278 PolarHBondContact O-N 2.98Å
277G36.9Very low38.1Very low85 Ų85124.7 Ų124.788%0.87676%0.758SS**  trans-62.9104.8-178.600000111.4P275P275-G277 PolarHBondContact O-N 3.26Å
278T34.9Very low37.6Very low132 Ų132118.2 Ų118.281%0.8174%0.744SS**  trans-77.6132.6162.647.10000109.7Q276Q276-T278 PolarHBondContact O-N 2.98Å
279V35Very low36.8Very low139 Ų139118.6 Ų118.684%0.84275%0.747SS**  trans-23.3125167.3-121.60000115.9
280A34.4Very low36.5Very low81 Ų81116.2 Ų116.267%0.66975%0.754SS**  trans53.4143145.100000122.9
281D32.7Very low36.3Very low171 Ų171119 Ų11991%0.91478%0.776SS**  trans77.9127155.7-59.2-45.3000121.7
282G29.8Very low35.7Very low83 Ų83121.8 Ų121.886%0.85679%0.786SS**  trans121.9122.7158.700000117.4
283A27.3Very low35.9Very low97 Ų97118.5 Ų118.580%0.80278%0.783SS**  trans-115.3-170.2168.100000109.7
284P43.9Very low35.1Very low113 Ų113113 Ų11373%0.73478%0.784SS**  cis-135.6-165.6-14.737.7-16.7000114.7
285S28.8Very low34.7Very low124 Ų124119.1 Ų119.187%0.86781%0.807SS**  trans79.9151.5160.9-47.20000118.7
286G27.9Very low34.5Very low69 Ų69119.8 Ų119.871%0.71181%0.809SS**  cis166.3158.6-6.300000112.5
287A28Very low34.8Very low112 Ų112116.3 Ų116.393%0.92680%0.802SS**  trans57.8161.7179.200000116
288G28.3Very low34.6Very low62 Ų62121.1 Ų121.164%0.63980%0.802SS**  cis175.2174.42.500000106.9
289D28.7Very low34.4Very low160 Ų160125.6 Ų125.686%0.85681%0.805SS**  cis-159.8-172-8.7-74-47.5000108.5
290C35.9Very low34.9Very low120 Ų120124.1 Ų124.181%0.81180%0.799SS**  trans-109.1172.2178.9-51.80000112.5
291P40.9Very low35.5Very low124 Ų124126 Ų12681%0.80580%0.804SS**  -157136.19637.7-17.6000119
292D32.8Very low35.6Very low152 Ų152128.3 Ų128.381%0.81380%0.801SS**  31.3175113.5-126.531.9000124.2
293P53.8Low35.9Very low111 Ų111134.3 Ų134.372%0.72180%0.8SS**  -140.7-159.5-100.748-28000115.9
294G32.1Very low36.2Very low75 Ų75136.6 Ų136.677%0.77379%0.794SS**  trans118.9150.8160.500000115.2
295E32.7Very low35.8Very low184 Ų184138.1 Ų138.186%0.8679%0.791SS**  cis-166151.4-3.8-170.9173.2-137.600109.1
296V39.8Very low36.2Very low140 Ų140139.8 Ų139.885%0.84879%0.785SS**  trans-154130.8168.2-137.50000112.3
297P47.2Very low36.7Very low109 Ų109141 Ų14171%0.70879%0.789SS**  trans-140.5174.9138.340-24.3000111
298E31.1Very low37.2Very low186 Ų186139 Ų13987%0.86978%0.778SS**  cis-145.8171.223.6-69.8177.811600113
299Y32.2Very low37.9Very low225 Ų225151 Ų15188%0.88281%0.806SS**  trans-108.2-176164.9-105-94.5000108.4
300P45.7Very low38.4Very low109 Ų109150.5 Ų150.571%0.70880%0.804SS**  cis-129.8-145.5-7.338.1-14.2000110.3
301P46.1Very low38.5Very low120 Ų120152.1 Ų152.178%0.77980%0.803SS**  cis-133.7-172.4-9.640.7-19.7000117.3
302Y34.5Very low38.3Very low220 Ų220153.7 Ų153.786%0.86380%0.803SS**  trans-74153.3-175.6-83.2-113.1000116.8
303Y35.5Very low38.7Very low209 Ų209153.8 Ų153.882%0.8280%0.803SS**  -177.5127.3125.9-101.9-82.7000106.7
304Q35.5Very low37.7Very low145 Ų145156.4 Ų156.468%0.67881%0.808SS**  48.2133.893-111.7-179.4-59.800113.7
305E35.2Very low38.1Very low144 Ų144161.9 Ų161.967%0.67381%0.81SS**  cis-165.6179.86.5-148.6169.2166.200109.5
306E35.5Very low38.5Very low160 Ų160160.3 Ų160.375%0.74881%0.807SS**  trans64.7125.3155.2-70.2-6610200123.8
307A38.4Very low38.4Very low95 Ų95161.8 Ų161.879%0.78580%0.803SS**  63.3146.4129.600000124.9
308G39.1Very low37.7Very low68 Ų68166.3 Ų166.370%0.70181%0.811SS**  trans115.4120.1169.800000112.7
309Y43.3Very low38.3Very low314 Ų314164.5 Ų164.5100%1.23181%0.806SS**  cis-137014.4-94-99.5000112

Retrieved 309 of 309 residues in 44.7 ms (Link to these results)

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