A0A5K4FC77_SCHMA Loading...

rRNA-processing protein EBP2

Required for the processing of the 27S pre-rRNA.

AlphaFold DB , UniProt , Accession A0A5K4FC77, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, 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
1M47.6Very low64.5Low250 Ų250104.7 Ų104.7100%1.23260%0.598SS**  097.50-66.8-93.5162.900105.2
2S53.3Low65.1Low52 Ų52107.1 Ų107.136%0.36460%0.6SS.*  cis-165.897.5-2.9160.60000102.5S4 D5S2-S4 PolarHBondContact O-N 2.79Å; S2-S4 VanDerWaalsContact O-N 3.16Å; S2-D5 WeakPolarHBondContact CB-OD2 3.44Å; S2-D5 PolarHBondContact O-N 3.24Å; S2-D5 PolarHBondContact OG-OD1 3.14Å; S2-D5 PolarHBondContact OG-OD2 3.43Å
3D60.2Low65.4Low152 Ų152104.2 Ų104.281%0.81358%0.581SS**Hα-helixtrans-68.8-7.6178.9-73.3-28.1000111.9S6D3-S6 PolarHBondContact O-OG 3.18Å
4S64Low65.7Low86 Ų86104.7 Ų104.760%0.60158%0.581SS**Hα-helixtrans-72.3-34.1177.2-530000112.2S2 S6 S7 C8S2-S4 PolarHBondContact O-N 2.79Å; S2-S4 VanDerWaalsContact O-N 3.16Å; S4-S6 PolarHBondContact O-N 3.22Å; S4-S7 PolarHBondContact O-N 3.05Å; S4-S7 PolarHBondContact O-OG 3.47Å; S4-C8 PolarHBondContact O-N 3.2Å
5D62.4Low66.2Low97 Ų97102.7 Ų102.752%0.51958%0.584SS.*Hα-helixtrans-69.1-36.6-176.4-62.9-30000111.5S2 S7 C8 D9S2-D5 WeakPolarHBondContact CB-OD2 3.44Å; S2-D5 PolarHBondContact O-N 3.24Å; S2-D5 PolarHBondContact OG-OD1 3.14Å; S2-D5 PolarHBondContact OG-OD2 3.43Å; D5-S7 PolarHBondContact O-N 3.02Å; D5-C8 PolarHBondContact O-N 3.25Å; D5-C8 VanDerWaalsContact O-N 3.16Å; D5-D9 PolarHBondContact O-N 2.62Å
6S65Low66.5Low71 Ų71100.3 Ų100.350%0.49758%0.575SS.*Hα-helixtrans-65.7-26.9179.4780000113.1D3 S4 V10D3-S6 PolarHBondContact O-OG 3.18Å; S4-S6 PolarHBondContact O-N 3.22Å; S6-V10 WeakPolarHBondContact O-CG2 3.42Å; S6-V10 PolarHBondContact O-N 2.81Å
7S70.7Confident66.9Low66 Ų66102.5 Ų102.546%0.46259%0.593SS.*Hα-helixtrans-77.1-31.617873.40000112.5S4 D5 Q11S4-S7 PolarHBondContact O-N 3.05Å; S4-S7 PolarHBondContact O-OG 3.47Å; D5-S7 PolarHBondContact O-N 3.02Å; S7-Q11 WeakPolarHBondContact O-CG 3.48Å; S7-Q11 PolarHBondContact O-N 3.42Å
8C71.2Confident67.1Low73 Ų73101.4 Ų101.449%0.49361%0.608SS.*Hα-helixtrans-73.5-43.6177.8-1540000110.1S4 D5 V10 Q11 E12S4-C8 PolarHBondContact O-N 3.2Å; D5-C8 PolarHBondContact O-N 3.25Å; D5-C8 VanDerWaalsContact O-N 3.16Å; C8-V10 VanDerWaalsContact C-N 3.31Å; C8-V10 PolarHBondContact O-N 3.42Å; C8-Q11 PolarHBondContact O-N 2.95Å; C8-Q11 VanDerWaalsContact O-N 3.13Å; C8-E12 PolarHBondContact O-N 3.34Å
9D71.8Confident67.3Low90 Ų90102 Ų10248%0.48161%0.607SS.*Hα-helixtrans-57.8-44.1176.1-69.6-17.4000111.4D5 Q11 E12 I13D5-D9 PolarHBondContact O-N 2.62Å; D9-Q11 VanDerWaalsContact C-N 3.33Å; D9-Q11 PolarHBondContact O-N 3.3Å; D9-E12 PolarHBondContact O-N 3.24Å; D9-I13 WeakPolarHBondContact O-CB 3.43Å; D9-I13 WeakPolarHBondContact O-CD1 3.2Å; D9-I13 WeakPolarHBondContact O-CG1 3.31Å; D9-I13 PolarHBondContact O-N 3.06Å
10V70.6Confident67.4Low82 Ų82103.3 Ų103.350%0.49760%0.602SS.*Hα-helixtrans-65.5-36.8179.31760000111.6S6 C8 L14S6-V10 WeakPolarHBondContact O-CG2 3.42Å; S6-V10 PolarHBondContact O-N 2.81Å; C8-V10 VanDerWaalsContact C-N 3.31Å; C8-V10 PolarHBondContact O-N 3.42Å; V10-L14 HydrophobicContact CG1-CD1 4.03Å; V10-L14 HydrophobicContact CG1-CG 4.48Å; V10-L14 WeakPolarHBondContact O-CB 3.4Å; V10-L14 WeakPolarHBondContact O-CD1 3.42Å; V10-L14 WeakPolarHBondContact O-CG 2.73Å; V10-L14 PolarHBondContact O-N 3.4Å
11Q72.6Confident67.7Low133 Ų133107 Ų10762%0.62161%0.613SS**Hα-helixtrans-70.7-38.7177-74.4173.5-4.200112.4S7 C8 D9 L14 A15S7-Q11 WeakPolarHBondContact O-CG 3.48Å; S7-Q11 PolarHBondContact O-N 3.42Å; C8-Q11 PolarHBondContact O-N 2.95Å; C8-Q11 VanDerWaalsContact O-N 3.13Å; D9-Q11 VanDerWaalsContact C-N 3.33Å; D9-Q11 PolarHBondContact O-N 3.3Å; Q11-L14 PolarHBondContact O-N 3.22Å; Q11-A15 WeakPolarHBondContact O-CB 3.34Å; Q11-A15 PolarHBondContact O-N 3.23Å
12E72.1Confident69Low133 Ų133103.3 Ų103.362%0.62159%0.593SS**Hα-helixtrans-67.2-40.5176.4-169.8167.4-160.500111.5C8 D9 A15 C16C8-E12 PolarHBondContact O-N 3.34Å; D9-E12 PolarHBondContact O-N 3.24Å; E12-A15 PolarHBondContact O-N 3.45Å; E12-C16 PolarHBondContact O-N 3.35Å
13I69.4Low70Confident69 Ų69107.3 Ų107.335%0.35461%0.609SS.*Hα-helixtrans-60.8-44.6172.7-76171.2000110.9D9 A15 C16 Y20D9-I13 WeakPolarHBondContact O-CB 3.43Å; D9-I13 WeakPolarHBondContact O-CD1 3.2Å; D9-I13 WeakPolarHBondContact O-CG1 3.31Å; D9-I13 PolarHBondContact O-N 3.06Å; I13-A15 VanDerWaalsContact C-N 3.27Å; I13-A15 PolarHBondContact O-N 2.95Å; I13-C16 PolarHBondContact O-N 3.48Å; I13-Y20 HydrophobicContact CB-CE2 4.4Å; I13-Y20 HydrophobicContact CG2-CD2 4.39Å; I13-Y20 HydrophobicContact CG2-CE1 4.47Å; I13-Y20 HydrophobicContact CG2-CE2 3.17Å; I13-Y20 WeakPolarHBondContact CG2-OH 3.16Å; I13-Y20 WeakPolarHBondContact O-CE2 3.42Å
14L69Low70.8Confident112 Ų112105.6 Ų105.659%0.58660%0.604SS**Hα-helixtrans-67.8-23.7176-72.5168.9000113.4V10 Q11 Y20V10-L14 HydrophobicContact CG1-CD1 4.03Å; V10-L14 HydrophobicContact CG1-CG 4.48Å; V10-L14 WeakPolarHBondContact O-CB 3.4Å; V10-L14 WeakPolarHBondContact O-CD1 3.42Å; V10-L14 WeakPolarHBondContact O-CG 2.73Å; V10-L14 PolarHBondContact O-N 3.4Å; Q11-L14 PolarHBondContact O-N 3.22Å; L14-Y20 HydrophobicContact CD2-CD2 4.32Å; L14-Y20 HydrophobicContact CD2-CG 4.36Å
15A73.4Confident71.3Confident75 Ų75109.2 Ų109.262%0.6261%0.611SS**Hα-helixtrans-81.6-12.518000000113.7Q11 E12 I13 P17Q11-A15 WeakPolarHBondContact O-CB 3.34Å; Q11-A15 PolarHBondContact O-N 3.23Å; E12-A15 PolarHBondContact O-N 3.45Å; I13-A15 VanDerWaalsContact C-N 3.27Å; I13-A15 PolarHBondContact O-N 2.95Å; A15-P17 WeakPolarHBondContact O-CD 3.43Å
16C71.8Confident71.8Confident64 Ų64113.1 Ų113.143%0.43263%0.626SS.*SBendtrans-71.3109.2174.3-76.60000111E12 I13 G18 L19E12-C16 PolarHBondContact O-N 3.35Å; I13-C16 PolarHBondContact O-N 3.48Å; C16-G18 PolarHBondContact O-N 3.38Å; C16-G18 VanDerWaalsContact O-N 3.16Å; C16-L19 HydrophobicContact CB-CB 4.16Å; C16-L19 HydrophobicContact CB-CD2 4.5Å; C16-L19 PolarHBondContact O-N 2.98Å
17P71.8Confident72.2Confident138 Ų138118.7 Ų118.790%0.89664%0.642SS**THydrogen-bonded Turntrans-63.5121.4-180-12.727.4000109.3A15A15-P17 WeakPolarHBondContact O-CD 3.43Å
18G71.4Confident72.3Confident83 Ų83125.3 Ų125.386%0.85666%0.662SS**THydrogen-bonded Turntrans96.9-1.2175.300000116.6C16C16-G18 PolarHBondContact O-N 3.38Å; C16-G18 VanDerWaalsContact O-N 3.16Å
19L69.8Low72.5Confident112 Ų112129.2 Ų129.259%0.58667%0.673SS**THydrogen-bonded Turntrans-85.3-23.1173.3-168.258.6000112.8C16C16-L19 HydrophobicContact CB-CB 4.16Å; C16-L19 HydrophobicContact CB-CD2 4.5Å; C16-L19 PolarHBondContact O-N 2.98Å
20Y70.3Confident73Confident128 Ų128132.7 Ų132.750%0.50270%0.697SS.*  trans-126.4125.3177.9-61.2-81000110.7I13 L14I13-Y20 HydrophobicContact CB-CE2 4.4Å; I13-Y20 HydrophobicContact CG2-CD2 4.39Å; I13-Y20 HydrophobicContact CG2-CE1 4.47Å; I13-Y20 HydrophobicContact CG2-CE2 3.17Å; I13-Y20 WeakPolarHBondContact CG2-OH 3.16Å; I13-Y20 WeakPolarHBondContact O-CE2 3.42Å; L14-Y20 HydrophobicContact CD2-CD2 4.32Å; L14-Y20 HydrophobicContact CD2-CG 4.36Å
21E74.2Confident73.9Confident181 Ų181136.4 Ų136.485%0.84670%0.703SS**  trans-95.2122.6166.1-173.6174.9-175.200107.8I23E21-I23 PolarHBondContact O-N 3.41Å
22E73.7Confident74.6Confident172 Ų172133.8 Ų133.880%0.80469%0.693SS**  trans-63.2107.4171.7-70.4-174176.800108.8T24E22-T24 VanDerWaalsContact C-N 3.27Å; E22-T24 PolarHBondContact O-N 3.02Å
23I75.5Confident75.6Confident136 Ų136133.5 Ų133.570%0.69769%0.69SS**  trans-68.291.7172.2-55.5173.6000107.3E21 H25E21-I23 PolarHBondContact O-N 3.41Å; I23-H25 PolarHBondContact O-N 3.21Å
24T77.5Confident76.7Confident117 Ų117133.7 Ų133.772%0.71870%0.698SS**  trans-71.499.4171.854.80000108.3E22 E26E22-T24 VanDerWaalsContact C-N 3.27Å; E22-T24 PolarHBondContact O-N 3.02Å; T24-E26 PolarHBondContact O-N 2.6Å; T24-E26 VanDerWaalsContact O-N 3.16Å
25H73.8Confident77.8Confident162 Ų162130.3 Ų130.375%0.7569%0.685SS**  trans-67.5113.9169-60.8-57000108.4I23 K27I23-H25 PolarHBondContact O-N 3.21Å; H25-K27 PolarHBondContact O-N 2.89Å; H25-K27 VanDerWaalsContact O-N 3.16Å
26E73Confident78.8Confident179 Ų179131 Ų13184%0.83668%0.678SS**  trans-52.3125.5170.3-68.6-172171.500109.2T24 K28T24-E26 PolarHBondContact O-N 2.6Å; T24-E26 VanDerWaalsContact O-N 3.16Å; E26-K28 PolarHBondContact O-N 3.34Å
27K73Confident80Confident187 Ų187132.4 Ų132.481%0.81368%0.681SS**  trans-58.8113.3178.2-70.1-179.5-179175.40108.1H25 H29H25-K27 PolarHBondContact O-N 2.89Å; H25-K27 VanDerWaalsContact O-N 3.16Å; K27-H29 PolarHBondContact O-N 2.79Å
28K72.8Confident81.1Confident206 Ų206130.7 Ų130.790%0.89666%0.664SS**  trans-60.5106.3175.6-66.4-179.9-178.1175.80108.8E26E26-K28 PolarHBondContact O-N 3.34Å
29H74.3Confident82.3Confident155 Ų155130.3 Ų130.372%0.71865%0.645SS**  trans-67140170.3-72.3-73.6000110K27 Y31K27-H29 PolarHBondContact O-N 2.79Å; H29-Y31 PolarHBondContact O-N 2.79Å; H29-Y31 VanDerWaalsContact O-N 3.15Å
30V83.8Confident83.5Confident162 Ų162129.9 Ų129.998%0.98264%0.643SS**SBendtrans-56.2-32178.2-178.90000111.5
31Y88.3Confident84.6Confident160 Ų160127.4 Ų127.463%0.62764%0.644SS**  trans-113.884.3177.4-176.4-112.3000111.5H29 K33 L36H29-Y31 PolarHBondContact O-N 2.79Å; H29-Y31 VanDerWaalsContact O-N 3.15Å; Y31-K33 HydrophobicContact CE1-CB 4.03Å; Y31-K33 HydrophobicContact CE1-CG 4.45Å; Y31-K33 PolarHBondContact O-N 3.46Å; Y31-L36 HydrophobicContact CD2-CD1 4.02Å; Y31-L36 HydrophobicContact CE2-CD1 3.67Å
32N88.8Confident85.6Confident79 Ų79123.7 Ų123.742%0.42264%0.638SS.*  trans-88.792172.9-172.1-17.9000111S34 A35 L36N32-S34 VanDerWaalsContact C-N 3.35Å; N32-S34 PolarHBondContact O-N 2.91Å; N32-S34 PolarHBondContact OD1-N 3.38Å; N32-S34 PolarHBondContact OD1-OG 2.86Å; N32-A35 HydrophobicContact CB-CB 4.07Å; N32-A35 PolarHBondContact O-N 3.36Å; N32-A35 PolarHBondContact OD1-N 2.93Å; N32-A35 VanDerWaalsContact OD1-N 3.16Å; N32-L36 WeakPolarHBondContact O-CG 3.4Å; N32-L36 PolarHBondContact O-N 3.43Å; N32-L36 VanDerWaalsContact O-N 3.12Å
33K93.2Very high86.6Confident127 Ų127121.7 Ų121.755%0.55263%0.632SS**Hα-helixtrans-61.3-37.4-178.6-170-178.4178.6-176.30113.2Y31 L36 I37Y31-K33 HydrophobicContact CE1-CB 4.03Å; Y31-K33 HydrophobicContact CE1-CG 4.45Å; Y31-K33 PolarHBondContact O-N 3.46Å; K33-L36 PolarHBondContact O-N 3.34Å; K33-I37 HydrophobicContact CG-CD1 3.97Å; K33-I37 VanDerWaalsContact O-CG1 3.3Å; K33-I37 WeakPolarHBondContact O-CG1 3.35Å; K33-I37 PolarHBondContact O-N 3.17Å
34S92.2Very high87.3Confident73 Ų73124.2 Ų124.251%0.5163%0.632SS.*Hα-helixtrans-68.9-42.7-178.160.60000111.2N32 L36 I37 N38N32-S34 VanDerWaalsContact C-N 3.35Å; N32-S34 PolarHBondContact O-N 2.91Å; N32-S34 PolarHBondContact OD1-N 3.38Å; N32-S34 PolarHBondContact OD1-OG 2.86Å; S34-L36 VanDerWaalsContact C-N 3.35Å; S34-L36 PolarHBondContact O-N 2.9Å; S34-I37 PolarHBondContact O-N 3.36Å; S34-N38 WeakPolarHBondContact O-CB 3.36Å; S34-N38 VanDerWaalsContact O-CG 3.23Å; S34-N38 PolarHBondContact O-N 3.26Å; S34-N38 PolarHBondContact O-ND2 3.38Å
35A91.9Very high87.7Confident40 Ų40126.1 Ų126.133%0.33163%0.631SS.*Hα-helixtrans-59.9-44.4172.900000111.6N32 I37 N38 T39N32-A35 HydrophobicContact CB-CB 4.07Å; N32-A35 PolarHBondContact O-N 3.36Å; N32-A35 PolarHBondContact OD1-N 2.93Å; N32-A35 VanDerWaalsContact OD1-N 3.16Å; A35-I37 PolarHBondContact O-N 2.93Å; A35-N38 PolarHBondContact O-N 3.1Å; A35-T39 WeakPolarHBondContact O-CG2 3.41Å; A35-T39 PolarHBondContact O-N 3.43Å; A35-T39 PolarHBondContact O-OG1 2.8Å
36L94Very high88.4Confident89 Ų89124.1 Ų124.147%0.46664%0.635SS.*Hα-helixtrans-60.1-44.2176.9-70.6173.1000112.3Y31 N32 K33 S34 N38 T39 L40Y31-L36 HydrophobicContact CD2-CD1 4.02Å; Y31-L36 HydrophobicContact CE2-CD1 3.67Å; N32-L36 WeakPolarHBondContact O-CG 3.4Å; N32-L36 PolarHBondContact O-N 3.43Å; N32-L36 VanDerWaalsContact O-N 3.12Å; K33-L36 PolarHBondContact O-N 3.34Å; S34-L36 VanDerWaalsContact C-N 3.35Å; S34-L36 PolarHBondContact O-N 2.9Å; L36-N38 VanDerWaalsContact C-N 3.35Å; L36-N38 PolarHBondContact O-N 3.5Å; L36-T39 WeakPolarHBondContact CA-OG1 3.38Å; L36-T39 PolarHBondContact O-N 3.04Å; L36-T39 PolarHBondContact O-OG1 3.47Å; L36-L40 WeakPolarHBondContact O-CB 3.05Å; L36-L40 PolarHBondContact O-N 3.29Å
37I96.3Very high89.2Confident94 Ų94119 Ų11948%0.48261%0.613SS.*Hα-helixtrans-63.5-41.5177.1-67.6165.7000111K33 S34 A35 L40 S41K33-I37 HydrophobicContact CG-CD1 3.97Å; K33-I37 VanDerWaalsContact O-CG1 3.3Å; K33-I37 WeakPolarHBondContact O-CG1 3.35Å; K33-I37 PolarHBondContact O-N 3.17Å; S34-I37 PolarHBondContact O-N 3.36Å; A35-I37 PolarHBondContact O-N 2.93Å; I37-L40 PolarHBondContact O-N 3.4Å; I37-S41 PolarHBondContact O-N 2.99Å; I37-S41 PolarHBondContact O-OG 2.8Å
38N95.8Very high90.1Very high103 Ų103113.7 Ų113.755%0.55160%0.598SS**Hα-helixtrans-66.5-38.8177.8-68.8-12.3000112.3S34 A35 L36 S41 S42S34-N38 WeakPolarHBondContact O-CB 3.36Å; S34-N38 VanDerWaalsContact O-CG 3.23Å; S34-N38 PolarHBondContact O-N 3.26Å; S34-N38 PolarHBondContact O-ND2 3.38Å; A35-N38 PolarHBondContact O-N 3.1Å; L36-N38 VanDerWaalsContact C-N 3.35Å; L36-N38 PolarHBondContact O-N 3.5Å; N38-S41 WeakPolarHBondContact CA-OG 3.42Å; N38-S41 PolarHBondContact O-N 2.9Å; N38-S41 PolarHBondContact O-OG 2.92Å; N38-S42 WeakPolarHBondContact O-CB 3.36Å; N38-S42 PolarHBondContact O-N 2.93Å; N38-S42 VanDerWaalsContact O-N 3.08Å
39T95.9Very high91.1Very high74 Ų74106.3 Ų106.345%0.45456%0.564SS.*Hα-helixtrans-67.7-39.2173.958.70000111.7A35 L36 S42 I43A35-T39 WeakPolarHBondContact O-CG2 3.41Å; A35-T39 PolarHBondContact O-N 3.43Å; A35-T39 PolarHBondContact O-OG1 2.8Å; L36-T39 WeakPolarHBondContact CA-OG1 3.38Å; L36-T39 PolarHBondContact O-N 3.04Å; L36-T39 PolarHBondContact O-OG1 3.47Å; T39-S42 PolarHBondContact O-N 2.95Å; T39-I43 VanDerWaalsContact O-CG1 3.29Å; T39-I43 WeakPolarHBondContact O-CG1 3.49Å; T39-I43 PolarHBondContact O-N 3.48Å
40L95Very high92Very high103 Ų103102 Ų10254%0.53955%0.546SS..Hα-helixtrans-61.7-45.5175.2-175.5157.4000110.7L36 I37 S42 I43 R44L36-L40 WeakPolarHBondContact O-CB 3.05Å; L36-L40 PolarHBondContact O-N 3.29Å; I37-L40 PolarHBondContact O-N 3.4Å; L40-S42 VanDerWaalsContact C-N 3.3Å; L40-S42 PolarHBondContact O-N 3.11Å; L40-I43 PolarHBondContact O-N 3.43Å; L40-R44 HydrophobicContact CD2-CB 4.35Å; L40-R44 WeakPolarHBondContact O-CB 3.35Å; L40-R44 PolarHBondContact O-N 3.13Å
41S93.5Very high92.4Very high76 Ų76100.4 Ų100.453%0.53153%0.528SS..Hα-helixtrans-64.4-35.7178.763.90000112.4I37 N38I37-S41 PolarHBondContact O-N 2.99Å; I37-S41 PolarHBondContact O-OG 2.8Å; N38-S41 WeakPolarHBondContact CA-OG 3.42Å; N38-S41 PolarHBondContact O-N 2.9Å; N38-S41 PolarHBondContact O-OG 2.92Å
42S94.8Very high92.6Very high104 Ų10498.2 Ų98.273%0.72752%0.518SS*.Hα-helixtrans-67.4-38.9175.2178.50000113.2N38 T39 L40N38-S42 WeakPolarHBondContact O-CB 3.36Å; N38-S42 PolarHBondContact O-N 2.93Å; N38-S42 VanDerWaalsContact O-N 3.08Å; T39-S42 PolarHBondContact O-N 2.95Å; L40-S42 VanDerWaalsContact C-N 3.3Å; L40-S42 PolarHBondContact O-N 3.11Å
43I94.3Very high92.8Very high129 Ų12999.1 Ų99.166%0.66252%0.523SS*.Hα-helixtrans-84.3-29-177.3-63.1165000111.8T39 L40 K45T39-I43 VanDerWaalsContact O-CG1 3.29Å; T39-I43 WeakPolarHBondContact O-CG1 3.49Å; T39-I43 PolarHBondContact O-N 3.48Å; L40-I43 PolarHBondContact O-N 3.43Å; I43-K45 PolarHBondContact O-N 2.89Å
44R90.9Very high92.8Very high189 Ų18996.8 Ų96.871%0.71352%0.516SS*.  trans-63.6110.9-174.2-177.6177.3-175.8-175.40.7110.7L40L40-R44 HydrophobicContact CD2-CB 4.35Å; L40-R44 WeakPolarHBondContact O-CB 3.35Å; L40-R44 PolarHBondContact O-N 3.13Å
45K86.4Confident92.8Very high157 Ų15795.6 Ų95.668%0.68351%0.506SS*.  trans-83.2124.8171.9-59-176.11791800110.3I43 L47I43-K45 PolarHBondContact O-N 2.89Å; K45-L47 VanDerWaalsContact C-N 3.26Å; K45-L47 HydrophobicContact CB-CD1 4.2Å; K45-L47 HydrophobicContact CB-CG 4.03Å; K45-L47 HydrophobicContact CD-CD1 4.26Å; K45-L47 PolarHBondContact O-N 3.28Å; K45-L47 VanDerWaalsContact O-N 3.14Å
46S87.5Confident92.9Very high120 Ų120100.1 Ų100.184%0.83953%0.529SS*.  trans-86.261.3174.959.20000111.3
47L91Very high92.6Very high71 Ų7197.2 Ų97.237%0.37252%0.517SS..  trans-90151.4178.4-61.4174.8000111.4K45 E51 R52K45-L47 VanDerWaalsContact C-N 3.26Å; K45-L47 HydrophobicContact CB-CD1 4.2Å; K45-L47 HydrophobicContact CB-CG 4.03Å; K45-L47 HydrophobicContact CD-CD1 4.26Å; K45-L47 PolarHBondContact O-N 3.28Å; K45-L47 VanDerWaalsContact O-N 3.14Å; L47-E51 HydrophobicContact CB-CB 4.35Å; L47-E51 WeakPolarHBondContact CD2-OE2 3.43Å; L47-R52 HydrophobicContact CB-CG 4.05Å; L47-R52 PolarHBondContact O-NE 3.04Å
48P92.1Very high92.1Very high76 Ų7697 Ų9749%0.49452%0.523SS..  trans-50.5144168.7-25.235.1000111I50 E51P48-I50 HydrophobicContact CB-CG2 3.96Å; P48-I50 PolarHBondContact O-N 3.4Å; P48-I50 VanDerWaalsContact O-N 3.13Å; P48-E51 PolarHBondContact O-N 3.22Å
49W92.8Very high91.4Very high51 Ų5193.2 Ų93.219%0.19351%0.506CS..Hα-helixtrans-57.4-32.6-175.4177.372000113E51 R52 L53 D54 V55 A97 Q100 L101 L104W49-E51 PolarHBondContact O-N 2.97Å; W49-R52 PolarHBondContact O-N 3.03Å; W49-L53 PolarHBondContact O-N 3.45Å; W49-D54 PolarHBondContact NE1-O 3.06Å; W49-V55 HydrophobicContact CZ2-CG2 3.8Å; W49-A97 HydrophobicContact CH2-CB 4.33Å; W49-A97 HydrophobicContact CZ2-CB 4.42Å; W49-Q100 HydrophobicContact CE3-CB 4.08Å; W49-Q100 HydrophobicContact CH2-CB 3.44Å; W49-Q100 VanDerWaalsContact CH2-CB 3.44Å; W49-Q100 HydrophobicContact CH2-CG 4.31Å; W49-Q100 HydrophobicContact CZ2-CB 4.33Å; W49-Q100 HydrophobicContact CZ3-CB 3.29Å; W49-Q100 HydrophobicContact CZ3-CG 4.35Å; W49-L101 HydrophobicContact CH2-CD2 4.48Å; W49-L101 HydrophobicContact CH2-CG 4.26Å; W49-L101 HydrophobicContact CZ3-CD2 4.22Å; W49-L101 HydrophobicContact CZ3-CG 4.31Å; W49-L104 HydrophobicContact CE3-CD1 4.42Å
50I93.6Very high90.7Very high66 Ų6690 Ų9034%0.33849%0.487SS..Hα-helixtrans-58.3-30177.3-174.361000113.8P48 L53 L101 L104 V106P48-I50 HydrophobicContact CB-CG2 3.96Å; P48-I50 PolarHBondContact O-N 3.4Å; P48-I50 VanDerWaalsContact O-N 3.13Å; I50-L53 HydrophobicContact CD1-CD2 4.17Å; I50-L53 WeakPolarHBondContact O-CD2 3.33Å; I50-L53 WeakPolarHBondContact O-CG 3.47Å; I50-L101 HydrophobicContact CD1-CD2 3.6Å; I50-L104 HydrophobicContact CB-CD1 3.98Å; I50-L104 HydrophobicContact CD1-CD1 4.15Å; I50-L104 HydrophobicContact CG1-CD1 4.36Å; I50-V106 HydrophobicContact CD1-CG2 3.99Å
51E92.3Very high89.8Confident128 Ų12890.8 Ų90.860%0.59850%0.499SS*.Hα-helixtrans-85-23.5177.1-63.7-176.1175.300112.5L47 P48 W49L47-E51 HydrophobicContact CB-CB 4.35Å; L47-E51 WeakPolarHBondContact CD2-OE2 3.43Å; P48-E51 PolarHBondContact O-N 3.22Å; W49-E51 PolarHBondContact O-N 2.97Å
52R92.7Very high88.6Confident113 Ų11388.3 Ų88.343%0.42648%0.482SS..Hα-helixtrans-88.3-38.7-179.2-63-170.4-77.2133-2.7112.1L47 W49 D54L47-R52 HydrophobicContact CB-CG 4.05Å; L47-R52 PolarHBondContact O-NE 3.04Å; W49-R52 PolarHBondContact O-N 3.03Å; R52-D54 HydrophobicContact CB-CB 4.37Å; R52-D54 WeakPolarHBondContact CB-OD1 3.44Å; R52-D54 IonicContact CZ-OD1 3.98Å; R52-D54 IonicContact CZ-OD2 3.68Å; R52-D54 IonicContact NE-OD1 3.27Å; R52-D54 IonicContact NH1-OD1 2.8Å; R52-D54 PolarHBondContact NH1-OD1 2.84Å; R52-D54 IonicContact NH1-OD2 3.91Å; R52-D54 PolarHBondContact NH1-OD2 3.2Å; R52-D54 PolarHBondContact O-N 3.46Å
53L92.7Very high87.4Confident99 Ų9991 Ų9152%0.51848%0.484SS..  trans47.126.3-174.1-60.7176.1000113.2W49 I50 L101W49-L53 PolarHBondContact O-N 3.45Å; I50-L53 HydrophobicContact CD1-CD2 4.17Å; I50-L53 WeakPolarHBondContact O-CD2 3.33Å; I50-L53 WeakPolarHBondContact O-CG 3.47Å; L53-L101 HydrophobicContact CD2-CD2 3.91Å
54D93.1Very high85.9Confident77 Ų7794.9 Ų94.941%0.41250%0.495SS..  trans-85.5131.2-175.958.6-21.9000109.8W49 R52W49-D54 PolarHBondContact NE1-O 3.06Å; R52-D54 HydrophobicContact CB-CB 4.37Å; R52-D54 WeakPolarHBondContact CB-OD1 3.44Å; R52-D54 IonicContact CZ-OD1 3.98Å; R52-D54 IonicContact CZ-OD2 3.68Å; R52-D54 IonicContact NE-OD1 3.27Å; R52-D54 IonicContact NH1-OD1 2.8Å; R52-D54 PolarHBondContact NH1-OD1 2.84Å; R52-D54 IonicContact NH1-OD2 3.91Å; R52-D54 PolarHBondContact NH1-OD2 3.2Å; R52-D54 PolarHBondContact O-N 3.46Å
55V93.4Very high84.4Confident48 Ų4893.1 Ų93.129%0.29150%0.5SS..  trans-134.7118.4-179.9179.90000109.7W49 C57 A93 K96 A97W49-V55 HydrophobicContact CZ2-CG2 3.8Å; V55-C57 WeakPolarHBondContact CG1-SG 3.47Å; V55-A93 HydrophobicContact CB-CB 4.4Å; V55-A93 HydrophobicContact CG1-CB 4.1Å; V55-K96 HydrophobicContact CG1-CB 4.28Å; V55-A97 HydrophobicContact CG2-CB 4.1Å
56T92.7Very high83Confident135 Ų13590 Ų9083%0.82849%0.491SS*.  trans-99.3114.917354.50000109.6
57C88.1Confident81.5Confident29 Ų2990.6 Ų90.620%0.19649%0.485CS..  trans-134.6145.2-176.5-74.30000112.5V55 K96V55-C57 WeakPolarHBondContact CG1-SG 3.47Å; C57-K96 WeakPolarHBondContact SG-CD 3.47Å; C57-K96 WeakPolarHBondContact SG-CE 3.27Å; C57-K96 PolarHBondContact SG-NZ 3.4Å
58S85.2Confident79.9Confident89 Ų8994.4 Ų94.462%0.62250%0.504SS*.PPolyproline II helixtrans-73.4160155.355.20000110.6S92S58-S92 WeakPolarHBondContact O-CB 3.34Å; S58-S92 PolarHBondContact O-OG 3.41Å
59A82.5Confident78.1Confident23 Ų2393.1 Ų93.119%0.1949%0.493CS..PPolyproline II helixtrans-58.4141.9177.400000112.2F85 R88 V89A59-F85 HydrophobicContact CB-CD2 4.08Å; A59-F85 HydrophobicContact CB-CE2 3.47Å; A59-F85 VanDerWaalsContact CB-CE2 3.47Å; A59-F85 HydrophobicContact CB-CZ 4.02Å; A59-R88 HydrophobicContact CB-CB 4.15Å; A59-V89 HydrophobicContact CB-CG2 3.85Å
60A80.6Confident76.6Confident6 Ų696.4 Ų96.45%0.0552%0.515CS..PPolyproline II helixtrans-61.1147.9174.700000110.7A62 R88A60-A62 PolarHBondContact O-N 3.07Å; A60-R88 WeakPolarHBondContact CB-O 3.35Å; A60-R88 PolarHBondContact N-O 3.18Å; A60-R88 VanDerWaalsContact N-O 3.17Å; A60-R88 PolarHBondContact O-NE 3.21Å; A60-R88 PolarHBondContact O-NH2 3.18Å
61P75.3Confident75.1Confident121 Ų12199.3 Ų99.379%0.78653%0.53SS*.PPolyproline II helixtrans-56.8135.6176.224.2-33.1000110.4
62A69.5Low73.7Confident23 Ų23101.8 Ų101.819%0.1954%0.542CS..PPolyproline II helixtrans-62.7142.9178.900000109.7A60 K64A60-A62 PolarHBondContact O-N 3.07Å; A62-K64 PolarHBondContact O-N 3.42Å
63Q68.6Low72.5Confident162 Ų162102.6 Ų102.676%0.75755%0.55SS**PPolyproline II helixtrans-61.6137162.1-70.1-177.7-77.300107.7D65 L66Q63-D65 PolarHBondContact O-N 3.08Å; Q63-L66 PolarHBondContact O-N 3.4Å
64K62.1Low71.4Confident209 Ų20999.8 Ų99.891%0.90954%0.535SS*.THydrogen-bonded Turntrans-49.2-9.1-166.4-78.6179.4173.9178.90117.5A62A62-K64 PolarHBondContact O-N 3.42Å
65D60.1Low70.8Confident152 Ų15299.9 Ų99.981%0.81354%0.536SS*.THydrogen-bonded Turntrans-1144.3-170.2-56.6-33.8000114.1Q63Q63-D65 PolarHBondContact O-N 3.08Å
66L57.8Low70.3Confident92 Ų92102 Ų10248%0.48255%0.55SS.*SBendtrans-119.2107.8174.7-72.1163.1000108.2Q63 L68Q63-L66 PolarHBondContact O-N 3.4Å; L66-L68 PolarHBondContact O-N 3.45Å
67D56.1Low70.1Confident133 Ų133102.1 Ų102.171%0.71155%0.546SS*.  trans-21.2119.7-176.1-56.9-42.6000114.3D69D67-D69 PolarHBondContact O-N 2.86Å
68L56.2Low70.1Confident150 Ų150103.4 Ų103.479%0.78555%0.551SS**  trans-67.574.1174.3-74.2160000109.6L66 D70L66-L68 PolarHBondContact O-N 3.45Å; L68-D70 PolarHBondContact O-N 3.01Å
69D55.9Low70.4Confident50 Ų50103.9 Ų103.927%0.26755%0.546SS..  trans-77.9106.1164.8-68.7-22.2000106.7D67 H73 I74 K81D67-D69 PolarHBondContact O-N 2.86Å; D69-H73 HydrophobicContact CB-CB 4.31Å; D69-I74 HydrophobicContact CB-CG1 4.3Å; D69-K81 WeakPolarHBondContact OD2-CE 3.33Å; D69-K81 IonicContact OD2-NZ 2.65Å; D69-K81 PolarHBondContact OD2-NZ 3.48Å
70D59.9Low70.6Confident119 Ų119110 Ų11064%0.63657%0.569SS**  trans-48.7149.6164.5-75.3-39.8000109.1L68 Q72 H73L68-D70 PolarHBondContact O-N 3.01Å; D70-Q72 PolarHBondContact O-N 3.31Å; D70-H73 PolarHBondContact O-N 3.04Å
71L61.5Low70.8Confident127 Ų127113.3 Ų113.367%0.66558%0.582SS**THydrogen-bonded Turntrans-46.7-21.9-178.2-76.4165.4000114.9F85L71-F85 HydrophobicContact CD2-CD2 4.38Å; L71-F85 HydrophobicContact CD2-CE1 4.36Å; L71-F85 HydrophobicContact CD2-CE2 3.25Å; L71-F85 HydrophobicContact CD2-CZ 3.24Å; L71-F85 HydrophobicContact CG-CE2 4.48Å
72Q63.1Low71.5Confident181 Ų181111 Ų11185%0.84656%0.558SS**THydrogen-bonded Turntrans-84.5-12.7-179.5-63.5178.7-1.900114.3D70D70-Q72 PolarHBondContact O-N 3.31Å
73H67.7Low72.5Confident130 Ų130115.1 Ų115.160%0.60257%0.573SS**SBendtrans-113.16.8-174.7-74.284.3000114.1D69 D70 D75D69-H73 HydrophobicContact CB-CB 4.31Å; D70-H73 PolarHBondContact O-N 3.04Å; H73-D75 PolarHBondContact O-N 3.22Å
74I70.9Confident73.4Confident39 Ų39109.8 Ų109.820%0.255%0.55CS..  trans-77.8108.4174.6-55.9171.5000107.9D69 P76 K81 F85D69-I74 HydrophobicContact CB-CG1 4.3Å; I74-P76 WeakPolarHBondContact O-CD 3.43Å; I74-K81 HydrophobicContact CG2-CB 4.31Å; I74-F85 HydrophobicContact CD1-CB 3.96Å; I74-F85 HydrophobicContact CD1-CD1 4.41Å; I74-F85 HydrophobicContact CD1-CD2 3.35Å; I74-F85 HydrophobicContact CD1-CE2 3.94Å; I74-F85 HydrophobicContact CD1-CG 3.63Å
75D79.6Confident74.6Confident80 Ų80101.9 Ų101.943%0.42852%0.516SS..  trans-61.6116.3172.6-171.6-10000109.4H73 D77 D78H73-D75 PolarHBondContact O-N 3.22Å; D75-D77 PolarHBondContact O-N 3.15Å; D75-D77 PolarHBondContact OD1-N 3.43Å; D75-D78 HydrophobicContact CB-CB 4.21Å; D75-D78 PolarHBondContact O-N 3.21Å
76P82.6Confident76.1Confident91 Ų9199.6 Ų99.659%0.59150%0.499SS*.THydrogen-bonded Turntrans-63.8-20.2179.427.6-35.5000112.5I74 R82I74-P76 WeakPolarHBondContact O-CD 3.43Å; P76-R82 PolarHBondContact O-NH1 3.31Å
77D88.2Confident77.7Confident138 Ų138102.3 Ų102.374%0.73850%0.503SS*.THydrogen-bonded Turntrans-85.6-15.7-179.7-65.5-28.8000112.6D75 D79D75-D77 PolarHBondContact O-N 3.15Å; D75-D77 PolarHBondContact OD1-N 3.43Å; D77-D79 PolarHBondContact O-N 3.25Å
78D88.4Confident79.3Confident56 Ų5698.1 Ų98.130%0.29948%0.478SS..  trans-85.395.7172.8-172.8-12.7000111D75 F80 K81 R82D75-D78 HydrophobicContact CB-CB 4.21Å; D75-D78 PolarHBondContact O-N 3.21Å; D78-F80 PolarHBondContact O-N 2.98Å; D78-F80 PolarHBondContact OD1-N 3.32Å; D78-K81 HydrophobicContact CB-CB 4.22Å; D78-K81 HydrophobicContact CB-CD 4.33Å; D78-K81 HydrophobicContact CB-CG 4.39Å; D78-K81 PolarHBondContact O-N 3.48Å; D78-K81 PolarHBondContact OD1-N 3.21Å; D78-K81 WeakPolarHBondContact OD2-CD 3.27Å; D78-K81 VanDerWaalsContact OD2-CG 3.29Å; D78-K81 WeakPolarHBondContact OD2-CG 3.37Å; D78-R82 WeakPolarHBondContact O-CB 3.49Å; D78-R82 PolarHBondContact O-N 2.96Å
79D91.4Very high81Confident99 Ų9993.1 Ų93.153%0.52945%0.453SS..Hα-helixtrans-50.7-39.4176.5-74.7-2000113D77 R82 E83D77-D79 PolarHBondContact O-N 3.25Å; D79-R82 PolarHBondContact O-N 2.95Å; D79-R82 IonicContact OD1-CZ 3.99Å; D79-R82 IonicContact OD1-NH1 3.14Å; D79-R82 PolarHBondContact OD1-NH1 3.09Å; D79-R82 IonicContact OD1-NH2 3.07Å; D79-R82 PolarHBondContact OD1-NH2 3.12Å; D79-E83 VanDerWaalsContact O-CB 3.29Å; D79-E83 WeakPolarHBondContact O-CB 3.32Å; D79-E83 WeakPolarHBondContact O-CG 3.38Å; D79-E83 PolarHBondContact O-N 3.48Å
80F87.4Confident82.9Confident153 Ų15393.3 Ų93.367%0.67146%0.462SS*.Hα-helixtrans-70.6-44.5-175-176.3-96.3000111.5D78 N84D78-F80 PolarHBondContact O-N 2.98Å; D78-F80 PolarHBondContact OD1-N 3.32Å; F80-N84 VanDerWaalsContact O-CB 3.26Å; F80-N84 WeakPolarHBondContact O-CB 3.28Å; F80-N84 PolarHBondContact O-N 3.09Å
81K85.7Confident84.5Confident74 Ų7491.4 Ų91.432%0.32245%0.449SS..Hα-helixtrans-64.7-42.8175.5-72.2-176.5179-155.70111.2D69 I74 D78 N84 F85D69-K81 WeakPolarHBondContact OD2-CE 3.33Å; D69-K81 IonicContact OD2-NZ 2.65Å; D69-K81 PolarHBondContact OD2-NZ 3.48Å; I74-K81 HydrophobicContact CG2-CB 4.31Å; D78-K81 HydrophobicContact CB-CB 4.22Å; D78-K81 HydrophobicContact CB-CD 4.33Å; D78-K81 HydrophobicContact CB-CG 4.39Å; D78-K81 PolarHBondContact O-N 3.48Å; D78-K81 PolarHBondContact OD1-N 3.21Å; D78-K81 WeakPolarHBondContact OD2-CD 3.27Å; D78-K81 VanDerWaalsContact OD2-CG 3.29Å; D78-K81 WeakPolarHBondContact OD2-CG 3.37Å; K81-N84 PolarHBondContact O-N 3.08Å; K81-F85 WeakPolarHBondContact O-CB 3.41Å; K81-F85 PolarHBondContact O-N 3.44Å
82R88.5Confident86Confident72 Ų7286 Ų8627%0.27242%0.422SS..Hα-helixtrans-62.1-48.3178.5-168.2178.769.9-120.7-5.6112.1P76 D78 D79 F85 F86P76-R82 PolarHBondContact O-NH1 3.31Å; D78-R82 WeakPolarHBondContact O-CB 3.49Å; D78-R82 PolarHBondContact O-N 2.96Å; D79-R82 PolarHBondContact O-N 2.95Å; D79-R82 IonicContact OD1-CZ 3.99Å; D79-R82 IonicContact OD1-NH1 3.14Å; D79-R82 PolarHBondContact OD1-NH1 3.09Å; D79-R82 IonicContact OD1-NH2 3.07Å; D79-R82 PolarHBondContact OD1-NH2 3.12Å; R82-F85 WeakPolarHBondContact O-CB 3.32Å; R82-F85 PolarHBondContact O-N 2.93Å; R82-F86 HydrophobicContact CG-CD2 4.39Å; R82-F86 HydrophobicContact CG-CE1 4.35Å; R82-F86 HydrophobicContact CG-CE2 3.62Å; R82-F86 HydrophobicContact CG-CZ 3.58Å; R82-F86 WeakPolarHBondContact O-CD2 3.38Å; R82-F86 WeakPolarHBondContact O-CG 3.11Å; R82-F86 PolarHBondContact O-N 3.07Å
83E91.1Very high87.5Confident111 Ų11178.6 Ų78.652%0.51939%0.392SS..Hα-helixtrans-65.4-39.1177.2-70.4-60.4141.400112.2D79 F85 F86 Y87D79-E83 VanDerWaalsContact O-CB 3.29Å; D79-E83 WeakPolarHBondContact O-CB 3.32Å; D79-E83 WeakPolarHBondContact O-CG 3.38Å; D79-E83 PolarHBondContact O-N 3.48Å; E83-F85 VanDerWaalsContact C-N 3.31Å; E83-F85 PolarHBondContact O-N 3.13Å; E83-F86 PolarHBondContact O-N 3.32Å; E83-Y87 WeakPolarHBondContact O-CB 3.4Å; E83-Y87 PolarHBondContact O-N 3.02Å
84N88.2Confident88.7Confident49 Ų4976.1 Ų76.126%0.26239%0.386SS..Hα-helixtrans-64.1-37.1175.4-173.343000111.9F80 K81 Y87 R88F80-N84 VanDerWaalsContact O-CB 3.26Å; F80-N84 WeakPolarHBondContact O-CB 3.28Å; F80-N84 PolarHBondContact O-N 3.09Å; K81-N84 PolarHBondContact O-N 3.08Å; N84-Y87 WeakPolarHBondContact O-CB 3.49Å; N84-Y87 PolarHBondContact O-N 3.33Å; N84-R88 WeakPolarHBondContact O-CG 3.47Å; N84-R88 PolarHBondContact O-N 3.23Å
85F87.4Confident89.8Confident44 Ų4479.6 Ų79.619%0.19340%0.404CS..Hα-helixtrans-63.8-47.9173.7179.6-99.2000111.9A59 L71 I74 K81 R82 E83 Y87 R88 V89A59-F85 HydrophobicContact CB-CD2 4.08Å; A59-F85 HydrophobicContact CB-CE2 3.47Å; A59-F85 VanDerWaalsContact CB-CE2 3.47Å; A59-F85 HydrophobicContact CB-CZ 4.02Å; L71-F85 HydrophobicContact CD2-CD2 4.38Å; L71-F85 HydrophobicContact CD2-CE1 4.36Å; L71-F85 HydrophobicContact CD2-CE2 3.25Å; L71-F85 HydrophobicContact CD2-CZ 3.24Å; L71-F85 HydrophobicContact CG-CE2 4.48Å; I74-F85 HydrophobicContact CD1-CB 3.96Å; I74-F85 HydrophobicContact CD1-CD1 4.41Å; I74-F85 HydrophobicContact CD1-CD2 3.35Å; I74-F85 HydrophobicContact CD1-CE2 3.94Å; I74-F85 HydrophobicContact CD1-CG 3.63Å; K81-F85 WeakPolarHBondContact O-CB 3.41Å; K81-F85 PolarHBondContact O-N 3.44Å; R82-F85 WeakPolarHBondContact O-CB 3.32Å; R82-F85 PolarHBondContact O-N 2.93Å; E83-F85 VanDerWaalsContact C-N 3.31Å; E83-F85 PolarHBondContact O-N 3.13Å; F85-Y87 VanDerWaalsContact C-N 3.27Å; F85-Y87 PolarHBondContact O-N 2.79Å; F85-R88 WeakPolarHBondContact O-CB 3.47Å; F85-R88 PolarHBondContact O-N 3.02Å; F85-R88 VanDerWaalsContact O-N 3.09Å; F85-V89 HydrophobicContact CD1-CG2 4.22Å; F85-V89 HydrophobicContact CE1-CG2 3.7Å; F85-V89 HydrophobicContact CE2-CG2 4.39Å; F85-V89 HydrophobicContact CZ-CG2 3.79Å; F85-V89 WeakPolarHBondContact O-CG2 3.31Å; F85-V89 PolarHBondContact O-N 2.92Å
86F90.5Very high90.5Very high103 Ų10380.4 Ų80.445%0.45240%0.404SS..Hα-helixtrans-59.2-40.4175.6-61.9-27.8000112.3R82 E83 R88 V89 A90R82-F86 HydrophobicContact CG-CD2 4.39Å; R82-F86 HydrophobicContact CG-CE1 4.35Å; R82-F86 HydrophobicContact CG-CE2 3.62Å; R82-F86 HydrophobicContact CG-CZ 3.58Å; R82-F86 WeakPolarHBondContact O-CD2 3.38Å; R82-F86 WeakPolarHBondContact O-CG 3.11Å; R82-F86 PolarHBondContact O-N 3.07Å; E83-F86 PolarHBondContact O-N 3.32Å; F86-R88 VanDerWaalsContact C-N 3.33Å; F86-R88 PolarHBondContact O-N 3.03Å; F86-V89 PolarHBondContact O-N 3.3Å; F86-A90 WeakPolarHBondContact O-CB 3.49Å; F86-A90 PolarHBondContact O-N 3.45Å
87Y92Very high91.1Very high149 Ų14977 Ų7758%0.58438%0.384SS*.Hα-helixtrans-58-44174.1178.8-100.3000112.1E83 N84 F85 A90 Q91E83-Y87 WeakPolarHBondContact O-CB 3.4Å; E83-Y87 PolarHBondContact O-N 3.02Å; N84-Y87 WeakPolarHBondContact O-CB 3.49Å; N84-Y87 PolarHBondContact O-N 3.33Å; F85-Y87 VanDerWaalsContact C-N 3.27Å; F85-Y87 PolarHBondContact O-N 2.79Å; Y87-A90 PolarHBondContact O-N 3.06Å; Y87-Q91 WeakPolarHBondContact O-CB 3.25Å; Y87-Q91 PolarHBondContact O-N 3.17Å
88R90.3Very high91.4Very high46 Ų4673.4 Ų73.417%0.17436%0.364CS..Hα-helixtrans-67-36177.2-71170.362.7-166.1-3.7113.1A59 A60 N84 F85 F86 Q91 S92A59-R88 HydrophobicContact CB-CB 4.15Å; A60-R88 WeakPolarHBondContact CB-O 3.35Å; A60-R88 PolarHBondContact N-O 3.18Å; A60-R88 VanDerWaalsContact N-O 3.17Å; A60-R88 PolarHBondContact O-NE 3.21Å; A60-R88 PolarHBondContact O-NH2 3.18Å; N84-R88 WeakPolarHBondContact O-CG 3.47Å; N84-R88 PolarHBondContact O-N 3.23Å; F85-R88 WeakPolarHBondContact O-CB 3.47Å; F85-R88 PolarHBondContact O-N 3.02Å; F85-R88 VanDerWaalsContact O-N 3.09Å; F86-R88 VanDerWaalsContact C-N 3.33Å; F86-R88 PolarHBondContact O-N 3.03Å; R88-Q91 PolarHBondContact O-N 2.9Å; R88-S92 WeakPolarHBondContact O-CB 3.18Å; R88-S92 PolarHBondContact O-N 3.22Å
89V92Very high91.8Very high44 Ų4474.3 Ų74.327%0.26737%0.372SS..Hα-helixtrans-64.5-47.6173.9174.90000110.2A59 F85 F86 Q91 S92 A93A59-V89 HydrophobicContact CB-CG2 3.85Å; F85-V89 HydrophobicContact CD1-CG2 4.22Å; F85-V89 HydrophobicContact CE1-CG2 3.7Å; F85-V89 HydrophobicContact CE2-CG2 4.39Å; F85-V89 HydrophobicContact CZ-CG2 3.79Å; F85-V89 WeakPolarHBondContact O-CG2 3.31Å; F85-V89 PolarHBondContact O-N 2.92Å; F86-V89 PolarHBondContact O-N 3.3Å; V89-Q91 VanDerWaalsContact C-N 3.33Å; V89-Q91 PolarHBondContact O-N 2.93Å; V89-S92 WeakPolarHBondContact O-CB 3.34Å; V89-S92 PolarHBondContact O-N 3.05Å; V89-A93 PolarHBondContact O-N 3.33Å
90A94.2Very high91.9Very high55 Ų5573.7 Ų73.746%0.45537%0.366SS..Hα-helixtrans-60.4-42.5176.200000111.8F86 Y87 S92 A93 V94F86-A90 WeakPolarHBondContact O-CB 3.49Å; F86-A90 PolarHBondContact O-N 3.45Å; Y87-A90 PolarHBondContact O-N 3.06Å; A90-S92 PolarHBondContact O-N 2.95Å; A90-A93 PolarHBondContact O-N 2.98Å; A90-V94 VanDerWaalsContact O-CG2 3.32Å; A90-V94 WeakPolarHBondContact O-CG2 3.35Å; A90-V94 PolarHBondContact O-N 2.91Å
91Q93.5Very high92.3Very high79 Ų7967.8 Ų67.837%0.36934%0.342SS..Hα-helixtrans-60.3-45.6175.9-173.3-177.63500112Y87 R88 V89 A93 V94 L95Y87-Q91 WeakPolarHBondContact O-CB 3.25Å; Y87-Q91 PolarHBondContact O-N 3.17Å; R88-Q91 PolarHBondContact O-N 2.9Å; V89-Q91 VanDerWaalsContact C-N 3.33Å; V89-Q91 PolarHBondContact O-N 2.93Å; Q91-A93 VanDerWaalsContact C-N 3.33Å; Q91-A93 PolarHBondContact O-N 3.37Å; Q91-V94 PolarHBondContact O-N 3.43Å; Q91-L95 HydrophobicContact CG-CD1 4.33Å; Q91-L95 WeakPolarHBondContact O-CG 3.4Å; Q91-L95 PolarHBondContact O-N 3.17Å
92S93.1Very high92.9Very high13 Ų1368.8 Ų68.89%0.09135%0.347CS..Hα-helixtrans-59.6-43.4176.1-173.30000111.8S58 R88 V89 A90 L95 K96S58-S92 WeakPolarHBondContact O-CB 3.34Å; S58-S92 PolarHBondContact O-OG 3.41Å; R88-S92 WeakPolarHBondContact O-CB 3.18Å; R88-S92 PolarHBondContact O-N 3.22Å; V89-S92 WeakPolarHBondContact O-CB 3.34Å; V89-S92 PolarHBondContact O-N 3.05Å; A90-S92 PolarHBondContact O-N 2.95Å; S92-L95 PolarHBondContact O-N 3.07Å; S92-K96 PolarHBondContact O-N 3.48Å; S92-K96 VanDerWaalsContact O-N 3.12Å
93A94.9Very high93.2Very high26 Ų2669.2 Ų69.222%0.21537%0.366CS..Hα-helixtrans-61.1-45.2176.300000111.9V55 V89 A90 Q91 L95 K96 A97V55-A93 HydrophobicContact CB-CB 4.4Å; V55-A93 HydrophobicContact CG1-CB 4.1Å; V89-A93 PolarHBondContact O-N 3.33Å; A90-A93 PolarHBondContact O-N 2.98Å; Q91-A93 VanDerWaalsContact C-N 3.33Å; Q91-A93 PolarHBondContact O-N 3.37Å; A93-L95 PolarHBondContact O-N 2.91Å; A93-K96 PolarHBondContact O-N 3.34Å; A93-A97 VanDerWaalsContact O-CB 3.31Å; A93-A97 WeakPolarHBondContact O-CB 3.49Å; A93-A97 PolarHBondContact O-N 2.9Å
94V94.1Very high93.4Very high77 Ų7768.2 Ų68.247%0.46736%0.364SS..Hα-helixtrans-62-43177172.40000111.5A90 Q91 K96 A97 I98A90-V94 VanDerWaalsContact O-CG2 3.32Å; A90-V94 WeakPolarHBondContact O-CG2 3.35Å; A90-V94 PolarHBondContact O-N 2.91Å; Q91-V94 PolarHBondContact O-N 3.43Å; V94-K96 VanDerWaalsContact C-N 3.28Å; V94-K96 PolarHBondContact O-N 2.84Å; V94-A97 PolarHBondContact O-N 3.43Å; V94-I98 HydrophobicContact CG1-CD1 3.4Å; V94-I98 HydrophobicContact CG1-CG1 4.03Å; V94-I98 WeakPolarHBondContact O-CB 3.36Å; V94-I98 WeakPolarHBondContact O-CG1 3.22Å; V94-I98 PolarHBondContact O-N 3Å
95L93.9Very high93.7Very high112 Ų11273.2 Ų73.259%0.58639%0.39SS*.Hα-helixtrans-64.5-29.9178.8-73.1175000113.2Q91 S92 A93 P99Q91-L95 HydrophobicContact CG-CD1 4.33Å; Q91-L95 WeakPolarHBondContact O-CG 3.4Å; Q91-L95 PolarHBondContact O-N 3.17Å; S92-L95 PolarHBondContact O-N 3.07Å; A93-L95 PolarHBondContact O-N 2.91Å; L95-P99 WeakPolarHBondContact O-CD 3.26Å; L95-P99 VanDerWaalsContact O-CG 3.3Å; L95-P99 WeakPolarHBondContact O-CG 3.37Å
96K93.4Very high94.1Very high98 Ų9873.5 Ų73.543%0.42640%0.396SS..Hα-helixtrans-82-41.7173.6-65.4-163.2-161165.30112.7V55 C57 S92 A93 V94 P99 Q100V55-K96 HydrophobicContact CG1-CB 4.28Å; C57-K96 WeakPolarHBondContact SG-CD 3.47Å; C57-K96 WeakPolarHBondContact SG-CE 3.27Å; C57-K96 PolarHBondContact SG-NZ 3.4Å; S92-K96 PolarHBondContact O-N 3.48Å; S92-K96 VanDerWaalsContact O-N 3.12Å; A93-K96 PolarHBondContact O-N 3.34Å; V94-K96 VanDerWaalsContact C-N 3.28Å; V94-K96 PolarHBondContact O-N 2.84Å; K96-P99 WeakPolarHBondContact O-CD 3.42Å; K96-Q100 WeakPolarHBondContact O-CG 3.25Å
97A95.1Very high94.3Very high20 Ų2074.2 Ų74.217%0.16541%0.411CS..Hα-helixtrans-69.9-41.5-175.200000112.9W49 V55 A93 V94 Q100 L101W49-A97 HydrophobicContact CH2-CB 4.33Å; W49-A97 HydrophobicContact CZ2-CB 4.42Å; V55-A97 HydrophobicContact CG2-CB 4.1Å; A93-A97 VanDerWaalsContact O-CB 3.31Å; A93-A97 WeakPolarHBondContact O-CB 3.49Å; A93-A97 PolarHBondContact O-N 2.9Å; V94-A97 PolarHBondContact O-N 3.43Å; A97-Q100 PolarHBondContact O-N 2.83Å; A97-L101 WeakPolarHBondContact O-CG 3.39Å; A97-L101 PolarHBondContact O-N 2.86Å
98I95.4Very high94.4Very high62 Ų6269.6 Ų69.632%0.31840%0.398SS..Hα-helixtrans-59.5-50.6-175.6-72.3176.1000112V94 Q100 L101 H102V94-I98 HydrophobicContact CG1-CD1 3.4Å; V94-I98 HydrophobicContact CG1-CG1 4.03Å; V94-I98 WeakPolarHBondContact O-CB 3.36Å; V94-I98 WeakPolarHBondContact O-CG1 3.22Å; V94-I98 PolarHBondContact O-N 3Å; I98-Q100 VanDerWaalsContact C-N 3.3Å; I98-Q100 PolarHBondContact O-N 3.23Å; I98-L101 PolarHBondContact O-N 3.08Å; I98-H102 VanDerWaalsContact CG2-CE1 3.44Å; I98-H102 WeakPolarHBondContact CG2-CE1 3.16Å; I98-H102 PolarHBondContact O-N 2.87Å
99P95.3Very high94.6Very high74 Ų7476 Ų7648%0.48143%0.427SS..Hα-helixtrans-60.2-37.6176.7-25.635000113.5L95 K96 H102 A103L95-P99 WeakPolarHBondContact O-CD 3.26Å; L95-P99 VanDerWaalsContact O-CG 3.3Å; L95-P99 WeakPolarHBondContact O-CG 3.37Å; K96-P99 WeakPolarHBondContact O-CD 3.42Å; P99-H102 PolarHBondContact O-N 3.44Å; P99-A103 WeakPolarHBondContact O-CB 3.35Å; P99-A103 PolarHBondContact O-N 3.47Å
100Q94.8Very high94.7Very high87 Ų8780.3 Ų80.341%0.40744%0.439SS..Hα-helixtrans-66.5-37.4177.5-68.9178.2-39.600112W49 K96 A97 I98 A103 L104W49-Q100 HydrophobicContact CE3-CB 4.08Å; W49-Q100 HydrophobicContact CH2-CB 3.44Å; W49-Q100 VanDerWaalsContact CH2-CB 3.44Å; W49-Q100 HydrophobicContact CH2-CG 4.31Å; W49-Q100 HydrophobicContact CZ2-CB 4.33Å; W49-Q100 HydrophobicContact CZ3-CB 3.29Å; W49-Q100 HydrophobicContact CZ3-CG 4.35Å; K96-Q100 WeakPolarHBondContact O-CG 3.25Å; A97-Q100 PolarHBondContact O-N 2.83Å; I98-Q100 VanDerWaalsContact C-N 3.3Å; I98-Q100 PolarHBondContact O-N 3.23Å; Q100-A103 PolarHBondContact O-N 3.38Å; Q100-L104 WeakPolarHBondContact O-CG 3.24Å; Q100-L104 PolarHBondContact O-N 3.29Å
101L96.1Very high94.8Very high29 Ų2981.6 Ų81.615%0.15244%0.442CS..Hα-helixtrans-69-39173.9-71.4171.3000112.1W49 I50 L53 A97 I98 A103 L104 D105 V106 T108W49-L101 HydrophobicContact CH2-CD2 4.48Å; W49-L101 HydrophobicContact CH2-CG 4.26Å; W49-L101 HydrophobicContact CZ3-CD2 4.22Å; W49-L101 HydrophobicContact CZ3-CG 4.31Å; I50-L101 HydrophobicContact CD1-CD2 3.6Å; L53-L101 HydrophobicContact CD2-CD2 3.91Å; A97-L101 WeakPolarHBondContact O-CG 3.39Å; A97-L101 PolarHBondContact O-N 2.86Å; I98-L101 PolarHBondContact O-N 3.08Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-L104 CarbonylContact O-C 3.52Å; L101-L104 PolarHBondContact O-N 3.17Å; L101-L104 VanDerWaalsContact O-N 3.14Å; L101-D105 PolarHBondContact O-N 2.75Å; L101-V106 HydrophobicContact CB-CB 4.34Å; L101-V106 HydrophobicContact CD2-CB 4.29Å; L101-V106 HydrophobicContact CD2-CG1 4.35Å; L101-V106 PolarHBondContact O-N 3.32Å; L101-T108 HydrophobicContact CB-CG2 3.69Å; L101-T108 HydrophobicContact CD1-CG2 3.74Å; L101-T108 HydrophobicContact CG-CG2 4.37Å
102H96.4Very high94.9Very high95 Ų9583.3 Ų83.344%0.4446%0.463SS..Hα-helixtrans-65.8-34.9175.1-68.9173.2000112.4I98 P99 L104 D105 T108I98-H102 VanDerWaalsContact CG2-CE1 3.44Å; I98-H102 WeakPolarHBondContact CG2-CE1 3.16Å; I98-H102 PolarHBondContact O-N 2.87Å; P99-H102 PolarHBondContact O-N 3.44Å; H102-L104 PolarHBondContact O-N 2.87Å; H102-D105 PolarHBondContact O-N 2.89Å; H102-D105 VanDerWaalsContact O-N 3.1Å; H102-T108 PolarHBondContact NE2-OG1 3.06Å
103A95.5Very high95.1Very high81 Ų8189.2 Ų89.267%0.66949%0.494SS*.THydrogen-bonded Turntrans-66.1-18.3173.600000113.6P99 Q100 L101P99-A103 WeakPolarHBondContact O-CB 3.35Å; P99-A103 PolarHBondContact O-N 3.47Å; Q100-A103 PolarHBondContact O-N 3.38Å; L101-A103 VanDerWaalsContact C-N 3.33Å
104L94.9Very high95.1Very high90 Ų9095 Ų9547%0.47151%0.511SS..THydrogen-bonded Turntrans-102.412.3175.5-62173.3000112.2W49 I50 Q100 L101 H102 V106W49-L104 HydrophobicContact CE3-CD1 4.42Å; I50-L104 HydrophobicContact CB-CD1 3.98Å; I50-L104 HydrophobicContact CD1-CD1 4.15Å; I50-L104 HydrophobicContact CG1-CD1 4.36Å; Q100-L104 WeakPolarHBondContact O-CG 3.24Å; Q100-L104 PolarHBondContact O-N 3.29Å; L101-L104 CarbonylContact O-C 3.52Å; L101-L104 PolarHBondContact O-N 3.17Å; L101-L104 VanDerWaalsContact O-N 3.14Å; H102-L104 PolarHBondContact O-N 2.87Å; L104-V106 HydrophobicContact CB-CG2 4.13Å; L104-V106 PolarHBondContact O-N 3.43Å
105D95.1Very high95Very high153 Ų15399.4 Ų99.482%0.81852%0.524SS*.THydrogen-bonded Turntrans57.128-178.1-62.9-44.2000114.7L101 H102L101-D105 PolarHBondContact O-N 2.75Å; H102-D105 PolarHBondContact O-N 2.89Å; H102-D105 VanDerWaalsContact O-N 3.1Å
106V95.1Very high95.1Very high51 Ų5196 Ų9631%0.30951%0.512SS..  trans-88.3124.8178.8-178.50000110.9I50 L101 L104 T108I50-V106 HydrophobicContact CD1-CG2 3.99Å; L101-V106 HydrophobicContact CB-CB 4.34Å; L101-V106 HydrophobicContact CD2-CB 4.29Å; L101-V106 HydrophobicContact CD2-CG1 4.35Å; L101-V106 PolarHBondContact O-N 3.32Å; L104-V106 HydrophobicContact CB-CG2 4.13Å; L104-V106 PolarHBondContact O-N 3.43Å; V106-T108 PolarHBondContact O-N 3.46Å
107P94.9Very high95.2Very high118 Ų118100.5 Ų100.577%0.76654%0.535SS*.  trans-71121.7177.327.9-33.5000111.3
108T94.5Very high95.2Very high51 Ų51104 Ų10431%0.31355%0.549SS..  trans-99.9-18.3-175.155.60000114.8L101 H102 V106L101-T108 HydrophobicContact CB-CG2 3.69Å; L101-T108 HydrophobicContact CD1-CG2 3.74Å; L101-T108 HydrophobicContact CG-CG2 4.37Å; H102-T108 PolarHBondContact NE2-OG1 3.06Å; V106-T108 PolarHBondContact O-N 3.46Å
109K94.9Very high95.3Very high181 Ų181108.3 Ų108.379%0.78758%0.578SS**SBendtrans-96.3132-177.9-68.3-177.6-179.8175.60110.5P111K109-P111 VanDerWaalsContact O-CD 3.29Å; K109-P111 WeakPolarHBondContact O-CD 3.28Å
110R94.7Very high95.4Very high135 Ų135110.5 Ų110.551%0.50958%0.58SS.*PPolyproline II helixtrans-69.4119.9172.3-177.5-177.8173.5-165.55.2110.3Y114 M118R110-Y114 PolarHBondContact NE-O 3Å; R110-Y114 PolarHBondContact NH2-O 3.09Å; R110-M118 VanDerWaalsContact NH1-CE 3.26Å; R110-M118 PolarHBondContact NH1-SD 2.82Å
111P96.3Very high95.5Very high81 Ų81110.9 Ų110.953%0.52659%0.588SS.*PPolyproline II helixtrans-63.8144.9173-21.134.1000111.5K109 D113 Y114K109-P111 VanDerWaalsContact O-CD 3.29Å; K109-P111 WeakPolarHBondContact O-CD 3.28Å; P111-D113 PolarHBondContact O-N 3.15Å; P111-Y114 PolarHBondContact O-N 3.36Å
112S94.8Very high95.4Very high115 Ų115115.5 Ų115.580%0.80461%0.613SS**THydrogen-bonded Turntrans-67.1-22.4178.253.60000113.6Y114 F115S112-Y114 VanDerWaalsContact C-N 3.33Å; S112-F115 WeakPolarHBondContact O-CZ 3.41Å
113D96.2Very high95.4Very high138 Ų138116.5 Ų116.574%0.73862%0.621SS**THydrogen-bonded Turntrans-91.13.6179.6-160.727.6000112.8P111P111-D113 PolarHBondContact O-N 3.15Å
114Y95.2Very high95.5Very high148 Ų148116.5 Ų116.558%0.5861%0.607SS**  trans-99.890.5179-168.2-108.3000111.4R110 P111 S112 A116R110-Y114 PolarHBondContact NE-O 3Å; R110-Y114 PolarHBondContact NH2-O 3.09Å; P111-Y114 PolarHBondContact O-N 3.36Å; S112-Y114 VanDerWaalsContact C-N 3.33Å; Y114-A116 HydrophobicContact CD1-CB 4.1Å; Y114-A116 HydrophobicContact CE1-CB 3.54Å; Y114-A116 PolarHBondContact O-N 3.08Å
115F93.5Very high95.5Very high169 Ų169116 Ų11674%0.74160%0.603SS**  trans-91.170.4-179.4-57.7-79000111.9S112S112-F115 WeakPolarHBondContact O-CZ 3.41Å
116A94.1Very high95.5Very high40 Ų40112.6 Ų112.633%0.33159%0.588SS.*  trans-86160.8167.900000111.8Y114 M118Y114-A116 HydrophobicContact CD1-CB 4.1Å; Y114-A116 HydrophobicContact CE1-CB 3.54Å; Y114-A116 PolarHBondContact O-N 3.08Å; A116-M118 PolarHBondContact O-N 3.33Å
117E96Very high95.5Very high193 Ų193116.7 Ų116.790%0.90260%0.602SS**  trans-58.2132.8172.4-174177.2-176.300110.5
118M96.5Very high95.4Very high93 Ų93113 Ų11346%0.45858%0.577SS.*  trans-106.7154.7179.1-61.9-59.2-68.600110.1R110 A116 K120R110-M118 VanDerWaalsContact NH1-CE 3.26Å; R110-M118 PolarHBondContact NH1-SD 2.82Å; A116-M118 PolarHBondContact O-N 3.33Å; M118-K120 PolarHBondContact O-N 3.23Å
119V96.5Very high95.4Very high153 Ų153113.5 Ų113.593%0.92758%0.583SS**SBendtrans-53-30.1178.3-179.10000113.1
120K96.7Very high95.2Very high120 Ų120108.9 Ų108.952%0.52257%0.566SS.*SBendtrans-121.9139.4177-64.3176.4-178175.70109.4M118 M125M118-K120 PolarHBondContact O-N 3.23Å; K120-M125 HydrophobicContact CB-CG 4.44Å; K120-M125 HydrophobicContact CD-SD 4.2Å
121T97.1Very high95.1Very high95 Ų95105.9 Ų105.958%0.58356%0.559SS**  trans-69.3151.9177.5620000112.3D123 H124 M125T121-D123 VanDerWaalsContact C-N 3.28Å; T121-D123 PolarHBondContact O-N 2.88Å; T121-H124 WeakPolarHBondContact O-CB 3.32Å; T121-H124 PolarHBondContact O-N 2.82Å; T121-H124 WeakPolarHBondContact OG1-CB 3.45Å; T121-H124 PolarHBondContact OG1-N 3.2Å; T121-M125 PolarHBondContact O-N 3.24Å; T121-M125 VanDerWaalsContact O-N 3.09Å
122D95.3Very high94.7Very high126 Ų126106.4 Ų106.467%0.67456%0.557SS**Hα-helixtrans-62.6-35.8177.7-69.7-33.9000112.2H124 M125 T126D122-H124 VanDerWaalsContact C-N 3.26Å; D122-H124 PolarHBondContact O-N 3.45Å; D122-M125 CarbonylContact O-C 3.59Å; D122-M125 PolarHBondContact O-N 3.35Å; D122-M125 VanDerWaalsContact O-N 3.11Å; D122-T126 WeakPolarHBondContact O-CG2 3.5Å; D122-T126 PolarHBondContact O-N 3.12Å; D122-T126 PolarHBondContact O-OG1 2.61Å
123D96.5Very high94.3Very high116 Ų116104.5 Ų104.562%0.6254%0.54SS*.Hα-helixtrans-59.6-35.9172.9-83.3-1.8000112.7T121 T126 K127T121-D123 VanDerWaalsContact C-N 3.28Å; T121-D123 PolarHBondContact O-N 2.88Å; D123-T126 PolarHBondContact O-OG1 2.86Å; D123-K127 WeakPolarHBondContact O-CG 3.48Å; D123-K127 PolarHBondContact O-N 3.43Å
124H96.8Very high93.8Very high81 Ų81103.5 Ų103.538%0.37553%0.529SS..Hα-helixtrans-69.6-45.6173.1174.3-95.1000110.8T121 D122 T126 K127 V128T121-H124 WeakPolarHBondContact O-CB 3.32Å; T121-H124 PolarHBondContact O-N 2.82Å; T121-H124 WeakPolarHBondContact OG1-CB 3.45Å; T121-H124 PolarHBondContact OG1-N 3.2Å; D122-H124 VanDerWaalsContact C-N 3.26Å; D122-H124 PolarHBondContact O-N 3.45Å; H124-T126 VanDerWaalsContact C-N 3.35Å; H124-T126 PolarHBondContact O-N 2.78Å; H124-K127 WeakPolarHBondContact O-CB 3.34Å; H124-K127 PolarHBondContact O-N 2.89Å; H124-V128 WeakPolarHBondContact O-CG2 3.43Å; H124-V128 PolarHBondContact O-N 2.91Å
125M94.6Very high93Very high79 Ų79102 Ų10239%0.38953%0.526SS..Hα-helixtrans-68.8-29.6-178.8-69.6-54.5-6200113.7K120 T121 D122 V128 S129K120-M125 HydrophobicContact CB-CG 4.44Å; K120-M125 HydrophobicContact CD-SD 4.2Å; T121-M125 PolarHBondContact O-N 3.24Å; T121-M125 VanDerWaalsContact O-N 3.09Å; D122-M125 CarbonylContact O-C 3.59Å; D122-M125 PolarHBondContact O-N 3.35Å; D122-M125 VanDerWaalsContact O-N 3.11Å; M125-V128 PolarHBondContact O-N 2.91Å; M125-S129 VanDerWaalsContact O-CB 3.25Å; M125-S129 WeakPolarHBondContact O-CB 3.47Å; M125-S129 PolarHBondContact O-N 3.31Å; M125-S129 PolarHBondContact O-OG 2.82Å
126T94.9Very high92.5Very high82 Ų82101.3 Ų101.350%0.50352%0.519SS..Hα-helixtrans-66.5-40.1172.160.40000111.1D122 D123 H124 L130D122-T126 WeakPolarHBondContact O-CG2 3.5Å; D122-T126 PolarHBondContact O-N 3.12Å; D122-T126 PolarHBondContact O-OG1 2.61Å; D123-T126 PolarHBondContact O-OG1 2.86Å; H124-T126 VanDerWaalsContact C-N 3.35Å; H124-T126 PolarHBondContact O-N 2.78Å; T126-L130 WeakPolarHBondContact O-CB 3.47Å; T126-L130 PolarHBondContact O-N 3.39Å
127K95.6Very high92Very high137 Ų137103.5 Ų103.560%0.59653%0.525SS*.Hα-helixtrans-63.9-46.5172.8-68.6168.9-172.8170.20111.6D123 H124 L130 I131D123-K127 WeakPolarHBondContact O-CG 3.48Å; D123-K127 PolarHBondContact O-N 3.43Å; H124-K127 WeakPolarHBondContact O-CB 3.34Å; H124-K127 PolarHBondContact O-N 2.89Å; K127-L130 PolarHBondContact O-N 3.46Å; K127-I131 VanDerWaalsContact O-CG1 3.28Å; K127-I131 WeakPolarHBondContact O-CG1 3.26Å; K127-I131 PolarHBondContact O-N 3.4Å
128V93.7Very high91.7Very high41 Ų4197.8 Ų97.825%0.24850%0.5CS..Hα-helixtrans-60.3-48.3176.9172.20000110.6H124 M125 L130 I131 I132H124-V128 WeakPolarHBondContact O-CG2 3.43Å; H124-V128 PolarHBondContact O-N 2.91Å; M125-V128 PolarHBondContact O-N 2.91Å; V128-L130 VanDerWaalsContact C-N 3.31Å; V128-L130 PolarHBondContact O-N 3.39Å; V128-I131 PolarHBondContact O-N 2.84Å; V128-I131 VanDerWaalsContact O-N 3.12Å; V128-I132 HydrophobicContact CG1-CD1 3.58Å; V128-I132 HydrophobicContact CG1-CG1 4.26Å; V128-I132 WeakPolarHBondContact O-CG1 3.49Å; V128-I132 PolarHBondContact O-N 3.42Å
129S92.6Very high91.4Very high60 Ų6097.3 Ų97.342%0.4250%0.497SS..Hα-helixtrans-59.9-42.8177.4-60.50000111.5M125 I131 I132 V133M125-S129 VanDerWaalsContact O-CB 3.25Å; M125-S129 WeakPolarHBondContact O-CB 3.47Å; M125-S129 PolarHBondContact O-N 3.31Å; M125-S129 PolarHBondContact O-OG 2.82Å; S129-I131 VanDerWaalsContact C-N 3.33Å; S129-I131 PolarHBondContact O-N 3.46Å; S129-I132 PolarHBondContact O-N 2.81Å; S129-V133 VanDerWaalsContact O-CB 3.3Å; S129-V133 WeakPolarHBondContact O-CB 3.46Å; S129-V133 VanDerWaalsContact O-CG2 3.24Å; S129-V133 WeakPolarHBondContact O-CG2 3.43Å; S129-V133 PolarHBondContact O-N 3.3Å
130L92.5Very high91.1Very high84 Ų8493.6 Ų93.644%0.4447%0.474SS..Hα-helixtrans-61.9-41175.9-178.4146.6000111.6T126 K127 V128 K134T126-L130 WeakPolarHBondContact O-CB 3.47Å; T126-L130 PolarHBondContact O-N 3.39Å; K127-L130 PolarHBondContact O-N 3.46Å; V128-L130 VanDerWaalsContact C-N 3.31Å; V128-L130 PolarHBondContact O-N 3.39Å; L130-K134 HydrophobicContact CD1-CD 4.47Å; L130-K134 VanDerWaalsContact CD1-NZ 3.26Å; L130-K134 HydrophobicContact CD2-CD 3.82Å; L130-K134 HydrophobicContact CG-CD 3.75Å; L130-K134 HydrophobicContact CG-CG 4.43Å; L130-K134 WeakPolarHBondContact O-CB 3.34Å; L130-K134 WeakPolarHBondContact O-CG 3.44Å; L130-K134 PolarHBondContact O-N 2.85Å
131I91Very high90.9Very high72 Ų7294.3 Ų94.337%0.36948%0.477SS..Hα-helixtrans-66.2-48.9175.9-70164.6000110.5K127 V128 S129 K135 Y136K127-I131 VanDerWaalsContact O-CG1 3.28Å; K127-I131 WeakPolarHBondContact O-CG1 3.26Å; K127-I131 PolarHBondContact O-N 3.4Å; V128-I131 PolarHBondContact O-N 2.84Å; V128-I131 VanDerWaalsContact O-N 3.12Å; S129-I131 VanDerWaalsContact C-N 3.33Å; S129-I131 PolarHBondContact O-N 3.46Å; I131-K135 HydrophobicContact CG2-CD 4.18Å; I131-K135 HydrophobicContact CG2-CG 4.45Å; I131-K135 WeakPolarHBondContact O-CA 3.41Å; I131-K135 VanDerWaalsContact O-CB 3.24Å; I131-K135 WeakPolarHBondContact O-CB 3.18Å; I131-K135 PolarHBondContact O-N 3.03Å; I131-Y136 HydrophobicContact CG2-CE2 4.48Å
132I89.7Confident90.7Very high93 Ų9395.2 Ų95.248%0.47748%0.475SS..Iπ-helixtrans-61.4-51.6-178-67.1171.1000111.1V128 S129 Y136 L137V128-I132 HydrophobicContact CG1-CD1 3.58Å; V128-I132 HydrophobicContact CG1-CG1 4.26Å; V128-I132 WeakPolarHBondContact O-CG1 3.49Å; V128-I132 PolarHBondContact O-N 3.42Å; S129-I132 PolarHBondContact O-N 2.81Å; I132-Y136 WeakPolarHBondContact O-CB 3.48Å; I132-Y136 PolarHBondContact O-N 3.16Å; I132-Y136 VanDerWaalsContact O-N 3.15Å; I132-L137 PolarHBondContact O-N 2.81Å; I132-L137 VanDerWaalsContact O-N 3.12Å
133V86.1Confident90.6Very high74 Ų7495.7 Ų95.745%0.44847%0.471SS..Iπ-helixtrans-67-47.8-178.2175.40000110.8S129 L137 I138S129-V133 VanDerWaalsContact O-CB 3.3Å; S129-V133 WeakPolarHBondContact O-CB 3.46Å; S129-V133 VanDerWaalsContact O-CG2 3.24Å; S129-V133 WeakPolarHBondContact O-CG2 3.43Å; S129-V133 PolarHBondContact O-N 3.3Å; V133-L137 WeakPolarHBondContact O-CB 3.49Å; V133-I138 HydrophobicContact CG1-CD1 4.33Å; V133-I138 WeakPolarHBondContact O-CG1 3.24Å; V133-I138 PolarHBondContact O-N 3.45Å; V133-I138 VanDerWaalsContact O-N 3.1Å
134K84.2Confident90.5Very high117 Ų11796 Ų9651%0.50947%0.472SS..Iπ-helixtrans-73.7-54-175.8-66.2-178.4-178.9171.80112.4L130 I138 E139L130-K134 HydrophobicContact CD1-CD 4.47Å; L130-K134 VanDerWaalsContact CD1-NZ 3.26Å; L130-K134 HydrophobicContact CD2-CD 3.82Å; L130-K134 HydrophobicContact CG-CD 3.75Å; L130-K134 HydrophobicContact CG-CG 4.43Å; L130-K134 WeakPolarHBondContact O-CB 3.34Å; L130-K134 WeakPolarHBondContact O-CG 3.44Å; L130-K134 PolarHBondContact O-N 2.85Å; K134-I138 WeakPolarHBondContact O-CB 3.28Å; K134-E139 PolarHBondContact O-N 3.27Å
135K80.3Confident90.4Very high117 Ų11793.8 Ų93.851%0.50947%0.468SS..Iπ-helixtrans-75.4-55.2-173.1-64.1-164.4179.5179.90110.9I131 E139I131-K135 HydrophobicContact CG2-CD 4.18Å; I131-K135 HydrophobicContact CG2-CG 4.45Å; I131-K135 WeakPolarHBondContact O-CA 3.41Å; I131-K135 VanDerWaalsContact O-CB 3.24Å; I131-K135 WeakPolarHBondContact O-CB 3.18Å; I131-K135 PolarHBondContact O-N 3.03Å; K135-E139 WeakPolarHBondContact O-CB 3.35Å; K135-E139 VanDerWaalsContact O-CG 3.31Å; K135-E139 WeakPolarHBondContact O-CG 3.24Å; K135-E139 PolarHBondContact O-N 3.33Å
136Y82.1Confident90.4Very high155 Ų15595 Ų9561%0.60848%0.475SS*.Iπ-helixtrans-78.9-53.7-172-65.4-72.3000111.4I131 I132 T140I131-Y136 HydrophobicContact CG2-CE2 4.48Å; I132-Y136 WeakPolarHBondContact O-CB 3.48Å; I132-Y136 PolarHBondContact O-N 3.16Å; I132-Y136 VanDerWaalsContact O-N 3.15Å; Y136-T140 WeakPolarHBondContact O-CB 3.11Å; Y136-T140 WeakPolarHBondContact O-CG2 3.49Å; Y136-T140 PolarHBondContact O-N 3.02Å; Y136-T140 PolarHBondContact O-OG1 3.45Å
137L84.3Confident90.4Very high86 Ų86100.6 Ų100.645%0.4549%0.487SS..Iπ-helixtrans-74.4-47.5-172.4-170.163.4000113.4I132 V133 T140 K141I132-L137 PolarHBondContact O-N 2.81Å; I132-L137 VanDerWaalsContact O-N 3.12Å; V133-L137 WeakPolarHBondContact O-CB 3.49Å; L137-T140 PolarHBondContact O-OG1 3.43Å; L137-K141 HydrophobicContact CD1-CD 4.14Å; L137-K141 HydrophobicContact CG-CD 4.28Å; L137-K141 VanDerWaalsContact O-CB 3.31Å; L137-K141 WeakPolarHBondContact O-CB 3.36Å; L137-K141 VanDerWaalsContact O-CG 3.23Å; L137-K141 WeakPolarHBondContact O-CG 3.45Å; L137-K141 PolarHBondContact O-N 3.32Å
138I89Confident90.3Very high72 Ų7297.7 Ų97.737%0.36948%0.476SS..Iπ-helixtrans-74.5-47.2-175.5-65.2171.1000111.1V133 K134 K141 Q142V133-I138 HydrophobicContact CG1-CD1 4.33Å; V133-I138 WeakPolarHBondContact O-CG1 3.24Å; V133-I138 PolarHBondContact O-N 3.45Å; V133-I138 VanDerWaalsContact O-N 3.1Å; K134-I138 WeakPolarHBondContact O-CB 3.28Å; I138-K141 PolarHBondContact O-N 3.23Å; I138-Q142 HydrophobicContact CG2-CG 4.22Å; I138-Q142 VanDerWaalsContact CG2-NE2 3.3Å; I138-Q142 WeakPolarHBondContact O-CB 3.38Å; I138-Q142 VanDerWaalsContact O-CG 3.24Å; I138-Q142 WeakPolarHBondContact O-CG 3.5Å; I138-Q142 PolarHBondContact O-N 3.46Å
139E89.9Confident90.4Very high84 Ų84101.7 Ų101.739%0.39349%0.486SS..Hα-helixtrans-67.8-38.9-178-54.5176.7-175.800112.2K134 K135 Q142 K143K134-E139 PolarHBondContact O-N 3.27Å; K135-E139 WeakPolarHBondContact O-CB 3.35Å; K135-E139 VanDerWaalsContact O-CG 3.31Å; K135-E139 WeakPolarHBondContact O-CG 3.24Å; K135-E139 PolarHBondContact O-N 3.33Å; E139-Q142 PolarHBondContact O-N 2.75Å; E139-K143 VanDerWaalsContact O-CB 3.32Å; E139-K143 WeakPolarHBondContact O-CB 3.42Å; E139-K143 VanDerWaalsContact O-CG 3.23Å; E139-K143 WeakPolarHBondContact O-CG 3.44Å; E139-K143 PolarHBondContact O-N 2.93Å
140T90.5Very high90.5Very high75 Ų75100.8 Ų100.846%0.4648%0.483SS..Hα-helixtrans-63.5-46.8176.959.50000111.2Y136 L137 Q142 K143 L144Y136-T140 WeakPolarHBondContact O-CB 3.11Å; Y136-T140 WeakPolarHBondContact O-CG2 3.49Å; Y136-T140 PolarHBondContact O-N 3.02Å; Y136-T140 PolarHBondContact O-OG1 3.45Å; L137-T140 PolarHBondContact O-OG1 3.43Å; T140-Q142 VanDerWaalsContact C-N 3.33Å; T140-Q142 PolarHBondContact O-N 3.08Å; T140-K143 PolarHBondContact O-N 2.94Å; T140-L144 WeakPolarHBondContact O-CB 3.39Å; T140-L144 PolarHBondContact O-N 3.3Å
141K92.6Very high90.6Very high134 Ų134103.3 Ų103.358%0.58349%0.486SS*.Hα-helixtrans-59.9-42175-75.8-178.7174.9-179.40111.9L137 I138 A145L137-K141 HydrophobicContact CD1-CD 4.14Å; L137-K141 HydrophobicContact CG-CD 4.28Å; L137-K141 VanDerWaalsContact O-CB 3.31Å; L137-K141 WeakPolarHBondContact O-CB 3.36Å; L137-K141 VanDerWaalsContact O-CG 3.23Å; L137-K141 WeakPolarHBondContact O-CG 3.45Å; L137-K141 PolarHBondContact O-N 3.32Å; I138-K141 PolarHBondContact O-N 3.23Å; K141-A145 VanDerWaalsContact O-CB 3.29Å; K141-A145 WeakPolarHBondContact O-CB 3.44Å; K141-A145 PolarHBondContact O-N 3.42Å
142Q93.4Very high90.8Very high115 Ų115103.5 Ų103.554%0.53749%0.486SS..Hα-helixtrans-66.2-44.5176.5-75.1179.34.700112.2I138 E139 T140 L144 A145 L146I138-Q142 HydrophobicContact CG2-CG 4.22Å; I138-Q142 VanDerWaalsContact CG2-NE2 3.3Å; I138-Q142 WeakPolarHBondContact O-CB 3.38Å; I138-Q142 VanDerWaalsContact O-CG 3.24Å; I138-Q142 WeakPolarHBondContact O-CG 3.5Å; I138-Q142 PolarHBondContact O-N 3.46Å; E139-Q142 PolarHBondContact O-N 2.75Å; T140-Q142 VanDerWaalsContact C-N 3.33Å; T140-Q142 PolarHBondContact O-N 3.08Å; Q142-L144 PolarHBondContact O-N 2.86Å; Q142-A145 PolarHBondContact O-N 3.39Å; Q142-L146 WeakPolarHBondContact O-CB 3.23Å; Q142-L146 WeakPolarHBondContact O-CG 3.32Å; Q142-L146 PolarHBondContact O-N 3.33Å
143K92.7Very high91.1Very high136 Ų136103.1 Ų103.159%0.59148%0.484SS*.Hα-helixtrans-60.7-44.2176.7-75.8172.4-177.5172.80111.2E139 T140 L146 R147E139-K143 VanDerWaalsContact O-CB 3.32Å; E139-K143 WeakPolarHBondContact O-CB 3.42Å; E139-K143 VanDerWaalsContact O-CG 3.23Å; E139-K143 WeakPolarHBondContact O-CG 3.44Å; E139-K143 PolarHBondContact O-N 2.93Å; T140-K143 PolarHBondContact O-N 2.94Å; K143-L146 PolarHBondContact O-N 2.83Å; K143-R147 WeakPolarHBondContact O-CB 3.44Å; K143-R147 PolarHBondContact O-N 3.33Å
144L93.5Very high91.5Very high122 Ų122107.2 Ų107.264%0.63949%0.491SS*.Hα-helixtrans-62.6-48175.8-168.7154.8000111T140 Q142 L146 R147 E148T140-L144 WeakPolarHBondContact O-CB 3.39Å; T140-L144 PolarHBondContact O-N 3.3Å; Q142-L144 PolarHBondContact O-N 2.86Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 3.36Å; L144-R147 WeakPolarHBondContact O-CB 3.41Å; L144-R147 PolarHBondContact O-N 3.46Å; L144-E148 WeakPolarHBondContact O-CB 3.36Å; L144-E148 PolarHBondContact O-N 3.44Å
145A95Very high92Very high34 Ų34105.7 Ų105.728%0.28149%0.486SS..Hα-helixtrans-62.6-36.3177.200000113.1K141 Q142 R149K141-A145 VanDerWaalsContact O-CB 3.29Å; K141-A145 WeakPolarHBondContact O-CB 3.44Å; K141-A145 PolarHBondContact O-N 3.42Å; Q142-A145 PolarHBondContact O-N 3.39Å; A145-R149 WeakPolarHBondContact O-CB 3.24Å; A145-R149 VanDerWaalsContact O-CG 3.26Å; A145-R149 WeakPolarHBondContact O-CG 3.31Å; A145-R149 PolarHBondContact O-N 2.89Å
146L94.6Very high92.5Very high106 Ų106108.8 Ų108.856%0.55549%0.494SS*.Hα-helixtrans-67.8-43.6174.5-74.1171000111.6Q142 K143 L144 E148 R149 A150Q142-L146 WeakPolarHBondContact O-CB 3.23Å; Q142-L146 WeakPolarHBondContact O-CG 3.32Å; Q142-L146 PolarHBondContact O-N 3.33Å; K143-L146 PolarHBondContact O-N 2.83Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 3.36Å; L146-E148 VanDerWaalsContact C-N 3.31Å; L146-E148 PolarHBondContact O-N 2.91Å; L146-R149 PolarHBondContact O-N 3.5Å; L146-A150 VanDerWaalsContact O-CB 3.31Å; L146-A150 WeakPolarHBondContact O-CB 3.13Å; L146-A150 PolarHBondContact O-N 3.1Å
147R94.6Very high93.1Very high199 Ų199111.1 Ų111.175%0.75150%0.502SS*.Hα-helixtrans-58.8-44.6175.2-178.1178177.3173.1-0.5110.9K143 L144 A150 R151K143-R147 WeakPolarHBondContact O-CB 3.44Å; K143-R147 PolarHBondContact O-N 3.33Å; L144-R147 WeakPolarHBondContact O-CB 3.41Å; L144-R147 PolarHBondContact O-N 3.46Å; R147-A150 PolarHBondContact O-N 3.41Å; R147-R151 PolarHBondContact O-N 3.48Å
148E95.1Very high93.6Very high76 Ų76114.5 Ų114.536%0.35551%0.513SS..Hα-helixtrans-67.4-45.7179.8-170.752.9-146.600112L144 L146 A150 R151 Q152L144-E148 WeakPolarHBondContact O-CB 3.36Å; L144-E148 PolarHBondContact O-N 3.44Å; L146-E148 VanDerWaalsContact C-N 3.31Å; L146-E148 PolarHBondContact O-N 2.91Å; E148-A150 VanDerWaalsContact C-N 3.28Å; E148-A150 PolarHBondContact O-N 3.13Å; E148-R151 WeakPolarHBondContact O-CB 3.48Å; E148-R151 PolarHBondContact O-N 3.14Å; E148-R151 VanDerWaalsContact O-N 3.1Å; E148-Q152 WeakPolarHBondContact O-CG 3.35Å; E148-Q152 PolarHBondContact O-N 3.1Å
149R95Very high93.8Very high124 Ų124115.2 Ų115.247%0.46851%0.514SS..Hα-helixtrans-59.1-39.8172.6-74.7174.9-174.3140.30.7112.2A145 L146 R151 Q152 I153A145-R149 WeakPolarHBondContact O-CB 3.24Å; A145-R149 VanDerWaalsContact O-CG 3.26Å; A145-R149 WeakPolarHBondContact O-CG 3.31Å; A145-R149 PolarHBondContact O-N 2.89Å; L146-R149 PolarHBondContact O-N 3.5Å; R149-R151 VanDerWaalsContact C-N 3.33Å; R149-Q152 PolarHBondContact O-N 3.33Å; R149-I153 WeakPolarHBondContact O-CB 3.29Å; R149-I153 VanDerWaalsContact O-CG1 3.25Å; R149-I153 WeakPolarHBondContact O-CG1 3.23Å; R149-I153 PolarHBondContact O-N 3.39Å
150A94.8Very high94.1Very high42 Ų42112.7 Ų112.735%0.34751%0.51SS..Hα-helixtrans-67.2-33.7176.900000112.3L146 R147 E148 R154L146-A150 VanDerWaalsContact O-CB 3.31Å; L146-A150 WeakPolarHBondContact O-CB 3.13Å; L146-A150 PolarHBondContact O-N 3.1Å; R147-A150 PolarHBondContact O-N 3.41Å; E148-A150 VanDerWaalsContact C-N 3.28Å; E148-A150 PolarHBondContact O-N 3.13Å; A150-R154 WeakPolarHBondContact O-CB 3.43Å; A150-R154 WeakPolarHBondContact O-CG 3.2Å; A150-R154 PolarHBondContact O-N 3.29Å; A150-R154 PolarHBondContact O-NE 3.38Å; A150-R154 VanDerWaalsContact O-NE 3.14Å
151R95.2Very high94.3Very high137 Ų137117.4 Ų117.452%0.51752%0.524SS..Hα-helixtrans-64.3-50.7171-175.3-175.8179.5165.75.8110.7R147 E148 R149 I153 R154 E155R147-R151 PolarHBondContact O-N 3.48Å; E148-R151 WeakPolarHBondContact O-CB 3.48Å; E148-R151 PolarHBondContact O-N 3.14Å; E148-R151 VanDerWaalsContact O-N 3.1Å; R149-R151 VanDerWaalsContact C-N 3.33Å; R151-I153 PolarHBondContact O-N 2.94Å; R151-R154 WeakPolarHBondContact O-CB 3.28Å; R151-R154 PolarHBondContact O-N 2.81Å; R151-E155 WeakPolarHBondContact CG-OE1 3.44Å; R151-E155 IonicContact CZ-OE1 2.74Å; R151-E155 IonicContact NE-OE1 2.91Å; R151-E155 PolarHBondContact NE-OE1 3.36Å; R151-E155 VanDerWaalsContact NE-OE1 3.07Å; R151-E155 PolarHBondContact O-N 2.94Å
152Q94.9Very high94.4Very high76 Ų76116.7 Ų116.736%0.35552%0.523SS..Hα-helixtrans-60.2-41.3178.5-67.7175.111.800112.9E148 R149 R154 E155 R156E148-Q152 WeakPolarHBondContact O-CG 3.35Å; E148-Q152 PolarHBondContact O-N 3.1Å; R149-Q152 PolarHBondContact O-N 3.33Å; Q152-R154 VanDerWaalsContact C-N 3.33Å; Q152-R154 PolarHBondContact O-N 3.23Å; Q152-E155 PolarHBondContact O-N 2.92Å; Q152-R156 WeakPolarHBondContact O-CB 3.1Å; Q152-R156 VanDerWaalsContact O-CG 3.25Å; Q152-R156 WeakPolarHBondContact O-CG 3.24Å; Q152-R156 PolarHBondContact O-N 2.83Å
153I94.7Very high94.5Very high85 Ų85115.2 Ų115.244%0.43652%0.522SS..Hα-helixtrans-63.6-39.7175.8-69.8165.5000110.9R149 R151 R157R149-I153 WeakPolarHBondContact O-CB 3.29Å; R149-I153 VanDerWaalsContact O-CG1 3.25Å; R149-I153 WeakPolarHBondContact O-CG1 3.23Å; R149-I153 PolarHBondContact O-N 3.39Å; R151-I153 PolarHBondContact O-N 2.94Å; I153-R157 WeakPolarHBondContact O-CB 3.37Å; I153-R157 VanDerWaalsContact O-CG 3.27Å; I153-R157 WeakPolarHBondContact O-CG 3.26Å; I153-R157 PolarHBondContact O-N 3.19Å
154R94.6Very high94.5Very high160 Ų160113.6 Ų113.660%0.60452%0.516SS*.Hα-helixtrans-64.3-46.4176.6-79.9-178.4-81.6172.8-6.7111.5A150 R151 Q152 R157 K158A150-R154 WeakPolarHBondContact O-CB 3.43Å; A150-R154 WeakPolarHBondContact O-CG 3.2Å; A150-R154 PolarHBondContact O-N 3.29Å; A150-R154 PolarHBondContact O-NE 3.38Å; A150-R154 VanDerWaalsContact O-NE 3.14Å; R151-R154 WeakPolarHBondContact O-CB 3.28Å; R151-R154 PolarHBondContact O-N 2.81Å; Q152-R154 VanDerWaalsContact C-N 3.33Å; Q152-R154 PolarHBondContact O-N 3.23Å; R154-R157 PolarHBondContact O-N 2.91Å; R154-K158 WeakPolarHBondContact O-CB 3.28Å; R154-K158 PolarHBondContact O-N 2.92Å
155E94.6Very high94.6Very high84 Ų84113.4 Ų113.439%0.39351%0.512SS..Hα-helixtrans-61.5-45.6176.8-71.5169-177.400111.4R151 Q152 R157 K158 F159R151-E155 WeakPolarHBondContact CG-OE1 3.44Å; R151-E155 IonicContact CZ-OE1 2.74Å; R151-E155 IonicContact NE-OE1 2.91Å; R151-E155 PolarHBondContact NE-OE1 3.36Å; R151-E155 VanDerWaalsContact NE-OE1 3.07Å; R151-E155 PolarHBondContact O-N 2.94Å; Q152-E155 PolarHBondContact O-N 2.92Å; E155-R157 VanDerWaalsContact C-N 3.3Å; E155-R157 PolarHBondContact O-N 2.93Å; E155-K158 PolarHBondContact O-N 3.5Å; E155-F159 WeakPolarHBondContact O-CD2 3.4Å; E155-F159 PolarHBondContact O-N 2.9Å
156R92.2Very high94.6Very high182 Ų182113.9 Ų113.969%0.68752%0.516SS*.Hα-helixtrans-60.8-35.8174.7-73.1176.5-174.2-168.12.7113.1Q152 G160Q152-R156 WeakPolarHBondContact O-CB 3.1Å; Q152-R156 VanDerWaalsContact O-CG 3.25Å; Q152-R156 WeakPolarHBondContact O-CG 3.24Å; Q152-R156 PolarHBondContact O-N 2.83Å; R156-G160 WeakPolarHBondContact O-CA 3.48Å; R156-G160 PolarHBondContact O-N 3.33Å
157R93.7Very high94.6Very high204 Ų204111.2 Ų111.277%0.7750%0.504SS*.Hα-helixtrans-71.9-41.4175.7-75.1175.4-178.6-174.72.1112I153 R154 E155I153-R157 WeakPolarHBondContact O-CB 3.37Å; I153-R157 VanDerWaalsContact O-CG 3.27Å; I153-R157 WeakPolarHBondContact O-CG 3.26Å; I153-R157 PolarHBondContact O-N 3.19Å; R154-R157 PolarHBondContact O-N 2.91Å; E155-R157 VanDerWaalsContact C-N 3.3Å; E155-R157 PolarHBondContact O-N 2.93Å
158K95.8Very high94.6Very high158 Ų158104.9 Ų104.969%0.68749%0.485SS*.Hα-helixtrans-64-48179.4-173.9176.6178.7-178.10111.4R154 E155R154-K158 WeakPolarHBondContact O-CB 3.28Å; R154-K158 PolarHBondContact O-N 2.92Å; E155-K158 PolarHBondContact O-N 3.5Å
159F93.6Very high94.6Very high86 Ų86106.7 Ų106.738%0.37749%0.494SS..Hα-helixtrans-99.2-3.5-173.9-62.1-70.7000114E155 K161 Q162 V163E155-F159 WeakPolarHBondContact O-CD2 3.4Å; E155-F159 PolarHBondContact O-N 2.9Å; F159-K161 VanDerWaalsContact C-N 3.3Å; F159-K161 PolarHBondContact O-N 3.49Å; F159-Q162 PolarHBondContact O-N 3.35Å; F159-V163 HydrophobicContact CB-CG2 4.25Å; F159-V163 WeakPolarHBondContact O-CG2 3.49Å; F159-V163 PolarHBondContact O-N 2.96Å
160G94.6Very high94.6Very high31 Ų31103.8 Ų103.832%0.3249%0.49SS..Hα-helixtrans-57.4-37.7-172.400000114.6R156 Q164R156-G160 WeakPolarHBondContact O-CA 3.48Å; R156-G160 PolarHBondContact O-N 3.33Å; G160-Q164 VanDerWaalsContact O-CB 3.32Å; G160-Q164 WeakPolarHBondContact O-CB 3.47Å; G160-Q164 PolarHBondContact O-N 2.9Å
161K95.2Very high94.4Very high175 Ų175108 Ų10876%0.76150%0.496SS*.Hα-helixtrans-68.6-44.1175.5-70.2-173.3179.2-178.40112.1F159 Q164 Q165F159-K161 VanDerWaalsContact C-N 3.3Å; F159-K161 PolarHBondContact O-N 3.49Å; K161-Q164 PolarHBondContact O-N 2.83Å; K161-Q165 WeakPolarHBondContact O-CG 3.26Å; K161-Q165 PolarHBondContact O-N 3.45Å
162Q94.6Very high94.4Very high119 Ų119108.8 Ų108.856%0.55650%0.504SS*.Hα-helixtrans-65.3-44.6178.9-66.7178-0.700110.9F159 Q164 Q165 A166F159-Q162 PolarHBondContact O-N 3.35Å; Q162-Q164 VanDerWaalsContact C-N 3.33Å; Q162-Q164 PolarHBondContact O-N 3.45Å; Q162-Q165 PolarHBondContact O-N 2.89Å; Q162-A166 WeakPolarHBondContact O-CB 3.35Å; Q162-A166 PolarHBondContact O-N 3.29Å
163V94.9Very high94.4Very high83 Ų83110.2 Ų110.250%0.50351%0.51SS..Hα-helixtrans-59.8-43.9174.5173.90000110.6F159 Q165 A166 V167F159-V163 HydrophobicContact CB-CG2 4.25Å; F159-V163 WeakPolarHBondContact O-CG2 3.49Å; F159-V163 PolarHBondContact O-N 2.96Å; V163-Q165 PolarHBondContact O-N 3.47Å; V163-A166 PolarHBondContact O-N 2.73Å; V163-V167 HydrophobicContact CG1-CG2 4.23Å; V163-V167 WeakPolarHBondContact O-CB 3.34Å; V163-V167 WeakPolarHBondContact O-CG2 3.17Å; V163-V167 PolarHBondContact O-N 3.3Å
164Q93Very high94.2Very high102 Ų102109.5 Ų109.548%0.47751%0.505SS..Hα-helixtrans-64-40177.5-174.362.153.600112.6G160 K161 Q162 N168G160-Q164 VanDerWaalsContact O-CB 3.32Å; G160-Q164 WeakPolarHBondContact O-CB 3.47Å; G160-Q164 PolarHBondContact O-N 2.9Å; K161-Q164 PolarHBondContact O-N 2.83Å; Q162-Q164 VanDerWaalsContact C-N 3.33Å; Q162-Q164 PolarHBondContact O-N 3.45Å; Q164-N168 PolarHBondContact NE2-ND2 2.88Å; Q164-N168 PolarHBondContact NE2-OD1 2.97Å; Q164-N168 WeakPolarHBondContact O-CB 3.23Å; Q164-N168 PolarHBondContact O-N 3.12Å; Q164-N168 PolarHBondContact O-ND2 3.32Å
165Q95.1Very high94Very high119 Ų119108.7 Ų108.756%0.55651%0.506SS*.Hα-helixtrans-66.5-47.1176.2-75.1174.2-17.500111.4K161 Q162 V163 N168 Q169K161-Q165 WeakPolarHBondContact O-CG 3.26Å; K161-Q165 PolarHBondContact O-N 3.45Å; Q162-Q165 PolarHBondContact O-N 2.89Å; V163-Q165 PolarHBondContact O-N 3.47Å; Q165-N168 PolarHBondContact O-N 3.1Å; Q165-N168 VanDerWaalsContact O-N 3.17Å; Q165-Q169 WeakPolarHBondContact O-CG 3.49Å; Q165-Q169 PolarHBondContact O-N 3.13Å
166A95.2Very high93.9Very high44 Ų44112.4 Ų112.436%0.36452%0.516SS..Hα-helixtrans-59.1-48.5176.400000111.4Q162 V163 N168 Q169 T170Q162-A166 WeakPolarHBondContact O-CB 3.35Å; Q162-A166 PolarHBondContact O-N 3.29Å; V163-A166 PolarHBondContact O-N 2.73Å; A166-N168 VanDerWaalsContact C-N 3.26Å; A166-N168 PolarHBondContact O-N 3.39Å; A166-Q169 WeakPolarHBondContact O-CB 2.99Å; A166-Q169 PolarHBondContact O-N 3.22Å; A166-Q169 VanDerWaalsContact O-N 3.08Å; A166-T170 WeakPolarHBondContact O-CG2 3.4Å; A166-T170 PolarHBondContact O-N 3.42Å; A166-T170 PolarHBondContact O-OG1 2.9Å
167V95.6Very high93.9Very high50 Ų50109.8 Ų109.830%0.30351%0.51SS..Hα-helixtrans-60.1-36176.2169.80000112V163 T170 R171V163-V167 HydrophobicContact CG1-CG2 4.23Å; V163-V167 WeakPolarHBondContact O-CB 3.34Å; V163-V167 WeakPolarHBondContact O-CG2 3.17Å; V163-V167 PolarHBondContact O-N 3.3Å; V167-T170 PolarHBondContact O-OG1 3.33Å; V167-T170 VanDerWaalsContact O-OG1 3.06Å; V167-R171 WeakPolarHBondContact O-CB 3.18Å; V167-R171 WeakPolarHBondContact O-CD 3.37Å; V167-R171 WeakPolarHBondContact O-CG 3.44Å; V167-R171 PolarHBondContact O-N 3.2Å; V167-R171 VanDerWaalsContact O-N 3.15Å
168N94.7Very high93.6Very high66 Ų66102.6 Ų102.635%0.35349%0.487SS..Hα-helixtrans-73.6-33.9176.3-73.8-16.7000112.3Q164 Q165 A166 K172Q164-N168 PolarHBondContact NE2-ND2 2.88Å; Q164-N168 PolarHBondContact NE2-OD1 2.97Å; Q164-N168 WeakPolarHBondContact O-CB 3.23Å; Q164-N168 PolarHBondContact O-N 3.12Å; Q164-N168 PolarHBondContact O-ND2 3.32Å; Q165-N168 PolarHBondContact O-N 3.1Å; Q165-N168 VanDerWaalsContact O-N 3.17Å; A166-N168 VanDerWaalsContact C-N 3.26Å; A166-N168 PolarHBondContact O-N 3.39Å; N168-K172 VanDerWaalsContact O-CG 3.28Å; N168-K172 WeakPolarHBondContact O-CG 3.16Å; N168-K172 PolarHBondContact O-N 2.91Å; N168-K172 VanDerWaalsContact O-N 3.09Å
169Q95.5Very high93.3Very high114 Ų11498.4 Ų98.453%0.53348%0.475SS..Hα-helixtrans-68-49.9175-74.4169.1-3.700110.8Q165 A166 R171 K172 E173Q165-Q169 WeakPolarHBondContact O-CG 3.49Å; Q165-Q169 PolarHBondContact O-N 3.13Å; A166-Q169 WeakPolarHBondContact O-CB 2.99Å; A166-Q169 PolarHBondContact O-N 3.22Å; A166-Q169 VanDerWaalsContact O-N 3.08Å; Q169-R171 VanDerWaalsContact C-N 3.31Å; Q169-R171 PolarHBondContact O-N 2.94Å; Q169-K172 WeakPolarHBondContact O-CA 3.31Å; Q169-K172 WeakPolarHBondContact O-CB 3.42Å; Q169-K172 PolarHBondContact O-N 3.23Å; Q169-E173 WeakPolarHBondContact O-CG 3.18Å; Q169-E173 PolarHBondContact O-N 2.78Å
170T93.9Very high93.1Very high63 Ų6398.8 Ų98.839%0.38748%0.477SS..Hα-helixtrans-57.8-44.1176.861.30000111.2A166 V167 K172 E173 E174A166-T170 WeakPolarHBondContact O-CG2 3.4Å; A166-T170 PolarHBondContact O-N 3.42Å; A166-T170 PolarHBondContact O-OG1 2.9Å; V167-T170 PolarHBondContact O-OG1 3.33Å; V167-T170 VanDerWaalsContact O-OG1 3.06Å; T170-K172 VanDerWaalsContact C-N 3.33Å; T170-K172 PolarHBondContact O-N 3.36Å; T170-E173 PolarHBondContact O-N 3.33Å; T170-E174 WeakPolarHBondContact O-CB 3.34Å; T170-E174 VanDerWaalsContact O-CG 3.28Å; T170-E174 WeakPolarHBondContact O-CG 3.24Å; T170-E174 PolarHBondContact O-N 3.06Å
171R92.1Very high92.8Very high129 Ų12998.4 Ų98.449%0.48747%0.472SS..Hα-helixtrans-61.5-36.5174.5-76.3173.4178.9-178-0.4113.6V167 Q169 K175V167-R171 WeakPolarHBondContact O-CB 3.18Å; V167-R171 WeakPolarHBondContact O-CD 3.37Å; V167-R171 WeakPolarHBondContact O-CG 3.44Å; V167-R171 PolarHBondContact O-N 3.2Å; V167-R171 VanDerWaalsContact O-N 3.15Å; Q169-R171 VanDerWaalsContact C-N 3.31Å; Q169-R171 PolarHBondContact O-N 2.94Å; R171-K175 WeakPolarHBondContact O-CB 3.3Å; R171-K175 VanDerWaalsContact O-CG 3.24Å; R171-K175 WeakPolarHBondContact O-CG 3.48Å; R171-K175 PolarHBondContact O-N 3.17Å; R171-K175 VanDerWaalsContact O-N 3.08Å
172K94.4Very high92.3Very high155 Ų15592.4 Ų92.467%0.67445%0.449SS*.Hα-helixtrans-70.4-41.5176.4-78.3176.3179.8-173.50110.9N168 Q169 T170 K175 R176N168-K172 VanDerWaalsContact O-CG 3.28Å; N168-K172 WeakPolarHBondContact O-CG 3.16Å; N168-K172 PolarHBondContact O-N 2.91Å; N168-K172 VanDerWaalsContact O-N 3.09Å; Q169-K172 WeakPolarHBondContact O-CA 3.31Å; Q169-K172 WeakPolarHBondContact O-CB 3.42Å; Q169-K172 PolarHBondContact O-N 3.23Å; T170-K172 VanDerWaalsContact C-N 3.33Å; T170-K172 PolarHBondContact O-N 3.36Å; K172-K175 PolarHBondContact O-N 3.11Å; K172-R176 WeakPolarHBondContact O-CB 3.25Å; K172-R176 PolarHBondContact O-N 3.44Å
173E94.4Very high91.9Very high106 Ų10693.4 Ų93.450%0.49545%0.452SS..Hα-helixtrans-64.6-45176.3-71.7170.4-165.100111.8Q169 T170 R176 K177Q169-E173 WeakPolarHBondContact O-CG 3.18Å; Q169-E173 PolarHBondContact O-N 2.78Å; T170-E173 PolarHBondContact O-N 3.33Å; E173-R176 WeakPolarHBondContact O-CB 3.34Å; E173-R176 PolarHBondContact O-N 3.07Å; E173-K177 WeakPolarHBondContact O-CB 3.29Å; E173-K177 VanDerWaalsContact O-CG 3.32Å; E173-K177 WeakPolarHBondContact O-CG 3.34Å; E173-K177 PolarHBondContact O-N 3.45Å
174E89.8Confident91.4Very high70 Ų7092 Ų9233%0.32745%0.445SS..Hα-helixtrans-58.7-47.6173.6-74.3165.8-15600111.5T170 R176 K177 L178 Y208T170-E174 WeakPolarHBondContact O-CB 3.34Å; T170-E174 VanDerWaalsContact O-CG 3.28Å; T170-E174 WeakPolarHBondContact O-CG 3.24Å; T170-E174 PolarHBondContact O-N 3.06Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 3.42Å; E174-K177 PolarHBondContact O-N 3.38Å; E174-L178 WeakPolarHBondContact O-CB 3.29Å; E174-L178 PolarHBondContact O-N 2.79Å; E174-Y208 PolarHBondContact OE2-OH 2.82Å
175K91.9Very high90.8Very high143 Ų14387.6 Ų87.662%0.62243%0.426SS*.Hα-helixtrans-60.1-42.1174.5-77.2179.6-180-168.60111.9R171 K172 L178 T179R171-K175 WeakPolarHBondContact O-CB 3.3Å; R171-K175 VanDerWaalsContact O-CG 3.24Å; R171-K175 WeakPolarHBondContact O-CG 3.48Å; R171-K175 PolarHBondContact O-N 3.17Å; R171-K175 VanDerWaalsContact O-N 3.08Å; K172-K175 PolarHBondContact O-N 3.11Å; K175-L178 PolarHBondContact O-N 2.83Å; K175-T179 WeakPolarHBondContact O-CG2 3.48Å; K175-T179 PolarHBondContact O-N 2.87Å; K175-T179 PolarHBondContact O-OG1 3.36Å
176R92.5Very high90Very high161 Ų16189.4 Ų89.461%0.60843%0.428SS*.Hα-helixtrans-62-50.6177.2-178.4179.6171.6-177.4-2.9110.6K172 E173 E174 L178 T179 E180K172-R176 WeakPolarHBondContact O-CB 3.25Å; K172-R176 PolarHBondContact O-N 3.44Å; E173-R176 WeakPolarHBondContact O-CB 3.34Å; E173-R176 PolarHBondContact O-N 3.07Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 3.42Å; R176-L178 VanDerWaalsContact C-N 3.32Å; R176-L178 PolarHBondContact O-N 3.12Å; R176-T179 WeakPolarHBondContact CA-OG1 3.45Å; R176-T179 PolarHBondContact O-N 2.55Å; R176-T179 VanDerWaalsContact O-N 3.12Å; R176-T179 PolarHBondContact O-OG1 3.4Å; R176-E180 HydrophobicContact CG-CG 4.36Å; R176-E180 WeakPolarHBondContact CG-OE1 3.4Å; R176-E180 IonicContact CZ-OE1 3.42Å; R176-E180 IonicContact NE-OE1 2.75Å; R176-E180 PolarHBondContact NE-OE1 3.27Å; R176-E180 IonicContact NH2-OE1 3.19Å; R176-E180 PolarHBondContact NH2-OE1 3.27Å; R176-E180 WeakPolarHBondContact O-CB 3.33Å; R176-E180 WeakPolarHBondContact O-CG 3.26Å; R176-E180 PolarHBondContact O-N 3.15Å
177K91Very high89.1Confident127 Ų12795.7 Ų95.755%0.55245%0.446SS*.Hα-helixtrans-55.7-45175.8-72.9175.3-178.4179.90111.6E173 E174 E180 A181 F204E173-K177 WeakPolarHBondContact O-CB 3.29Å; E173-K177 VanDerWaalsContact O-CG 3.32Å; E173-K177 WeakPolarHBondContact O-CG 3.34Å; E173-K177 PolarHBondContact O-N 3.45Å; E174-K177 PolarHBondContact O-N 3.38Å; K177-E180 PolarHBondContact O-N 3.09Å; K177-A181 VanDerWaalsContact O-CB 3.23Å; K177-A181 WeakPolarHBondContact O-CB 3.46Å; K177-A181 PolarHBondContact O-N 3.34Å; K177-F204 HydrophobicContact CB-CZ 4.27Å
178L88.3Confident87.8Confident53 Ų5399.9 Ų99.928%0.27746%0.461SS..Hα-helixtrans-60.8-48.1175.1179.563.5000111.5E174 K175 R176 E180 A181 V182 I200 F204E174-L178 WeakPolarHBondContact O-CB 3.29Å; E174-L178 PolarHBondContact O-N 2.79Å; K175-L178 PolarHBondContact O-N 2.83Å; R176-L178 VanDerWaalsContact C-N 3.32Å; R176-L178 PolarHBondContact O-N 3.12Å; L178-E180 PolarHBondContact O-N 3.11Å; L178-A181 PolarHBondContact O-N 3.45Å; L178-V182 HydrophobicContact CD1-CG2 4.39Å; L178-V182 WeakPolarHBondContact O-CB 3.36Å; L178-V182 VanDerWaalsContact O-CG2 3.26Å; L178-V182 WeakPolarHBondContact O-CG2 3.5Å; L178-V182 PolarHBondContact O-N 2.97Å; L178-I200 HydrophobicContact CD1-CG2 4.07Å; L178-F204 HydrophobicContact CB-CD1 4.23Å; L178-F204 HydrophobicContact CB-CE1 3.96Å; L178-F204 HydrophobicContact CB-CZ 4.19Å; L178-F204 HydrophobicContact CD1-CB 4.36Å; L178-F204 HydrophobicContact CD1-CD1 4.27Å; L178-F204 HydrophobicContact CD1-CD2 3.87Å; L178-F204 HydrophobicContact CD1-CE2 4.17Å; L178-F204 HydrophobicContact CD1-CG 3.91Å; L178-F204 HydrophobicContact CD1-CZ 4.5Å
179T89Confident86Confident71 Ų71104 Ų10444%0.43649%0.489SS..Hα-helixtrans-66.8-34.7179.158.80000113.3K175 R176 K183K175-T179 WeakPolarHBondContact O-CG2 3.48Å; K175-T179 PolarHBondContact O-N 2.87Å; K175-T179 PolarHBondContact O-OG1 3.36Å; R176-T179 WeakPolarHBondContact CA-OG1 3.45Å; R176-T179 PolarHBondContact O-N 2.55Å; R176-T179 VanDerWaalsContact O-N 3.12Å; R176-T179 PolarHBondContact O-OG1 3.4Å; T179-K183 WeakPolarHBondContact O-CB 3.36Å; T179-K183 VanDerWaalsContact O-CG 3.24Å; T179-K183 WeakPolarHBondContact O-CG 3.47Å; T179-K183 PolarHBondContact O-N 2.76Å
180E90.3Very high84.5Confident93 Ų93101 Ų10144%0.43549%0.488SS..Hα-helixtrans-70.1-42.5175.5-75.4175.8178.800110.8R176 K177 L178 K183 S184R176-E180 HydrophobicContact CG-CG 4.36Å; R176-E180 WeakPolarHBondContact CG-OE1 3.4Å; R176-E180 IonicContact CZ-OE1 3.42Å; R176-E180 IonicContact NE-OE1 2.75Å; R176-E180 PolarHBondContact NE-OE1 3.27Å; R176-E180 IonicContact NH2-OE1 3.19Å; R176-E180 PolarHBondContact NH2-OE1 3.27Å; R176-E180 WeakPolarHBondContact O-CB 3.33Å; R176-E180 WeakPolarHBondContact O-CG 3.26Å; R176-E180 PolarHBondContact O-N 3.15Å; K177-E180 PolarHBondContact O-N 3.09Å; L178-E180 PolarHBondContact O-N 3.11Å; E180-K183 PolarHBondContact O-N 3.01Å; E180-S184 VanDerWaalsContact O-CB 3.28Å; E180-S184 WeakPolarHBondContact O-CB 3.36Å; E180-S184 PolarHBondContact O-N 3.43Å; E180-S184 PolarHBondContact O-OG 3.06Å
181A86.9Confident82.8Confident24 Ų24106.3 Ų106.320%0.19851%0.512CS..Hα-helixtrans-58.9-49173.500000110.8K177 L178 S184 T185 I200K177-A181 VanDerWaalsContact O-CB 3.23Å; K177-A181 WeakPolarHBondContact O-CB 3.46Å; K177-A181 PolarHBondContact O-N 3.34Å; L178-A181 PolarHBondContact O-N 3.45Å; A181-S184 PolarHBondContact O-N 3.28Å; A181-S184 PolarHBondContact O-OG 3.31Å; A181-T185 PolarHBondContact O-N 3.37Å; A181-T185 VanDerWaalsContact O-N 3.08Å; A181-T185 PolarHBondContact O-OG1 3.21Å; A181-I200 HydrophobicContact CB-CD1 4.18Å; A181-I200 HydrophobicContact CB-CG2 3.97Å
182V85.2Confident81.7Confident49 Ų49104.8 Ų104.830%0.29751%0.514SS..Hα-helixtrans-60.9-47.9174.31740000111.4L178 S184 T185 W186 L197L178-V182 HydrophobicContact CD1-CG2 4.39Å; L178-V182 WeakPolarHBondContact O-CB 3.36Å; L178-V182 VanDerWaalsContact O-CG2 3.26Å; L178-V182 WeakPolarHBondContact O-CG2 3.5Å; L178-V182 PolarHBondContact O-N 2.97Å; V182-S184 VanDerWaalsContact C-N 3.27Å; V182-S184 PolarHBondContact O-N 2.98Å; V182-T185 PolarHBondContact O-N 2.82Å; V182-T185 PolarHBondContact O-OG1 3.27Å; V182-W186 PolarHBondContact O-N 2.79Å; V182-L197 HydrophobicContact CG1-CD2 4.24Å; V182-L197 HydrophobicContact CG2-CD2 4.42Å
183K86.7Confident80.6Confident140 Ų140102.2 Ų102.261%0.60950%0.5SS*.Hα-helixtrans-61.5-36.8177.8-76.9174.5-179.7-178.60112.5T179 E180 W186 K187T179-K183 WeakPolarHBondContact O-CB 3.36Å; T179-K183 VanDerWaalsContact O-CG 3.24Å; T179-K183 WeakPolarHBondContact O-CG 3.47Å; T179-K183 PolarHBondContact O-N 2.76Å; E180-K183 PolarHBondContact O-N 3.01Å; K183-W186 PolarHBondContact O-N 3.43Å; K183-K187 WeakPolarHBondContact O-CG 3.38Å; K183-K187 PolarHBondContact O-N 3.08Å
184S84.6Confident79.6Confident52 Ų52104.6 Ų104.636%0.36451%0.511SS..Hα-helixtrans-68-33.9179.279.50000112.4E180 A181 V182 K188E180-S184 VanDerWaalsContact O-CB 3.28Å; E180-S184 WeakPolarHBondContact O-CB 3.36Å; E180-S184 PolarHBondContact O-N 3.43Å; E180-S184 PolarHBondContact O-OG 3.06Å; A181-S184 PolarHBondContact O-N 3.28Å; A181-S184 PolarHBondContact O-OG 3.31Å; V182-S184 VanDerWaalsContact C-N 3.27Å; V182-S184 PolarHBondContact O-N 2.98Å; S184-K188 WeakPolarHBondContact O-CG 3.29Å; S184-K188 PolarHBondContact O-N 3.3Å
185T80.9Confident79.1Confident10 Ų10106.4 Ų106.46%0.06152%0.52CS..Hα-helixtrans-74.2-33.6173.155.20000111.9A181 V182 K188 K196 L197 I200A181-T185 PolarHBondContact O-N 3.37Å; A181-T185 VanDerWaalsContact O-N 3.08Å; A181-T185 PolarHBondContact O-OG1 3.21Å; V182-T185 PolarHBondContact O-N 2.82Å; V182-T185 PolarHBondContact O-OG1 3.27Å; T185-K188 PolarHBondContact O-N 3.23Å; T185-K196 HydrophobicContact CG2-CB 4.38Å; T185-K196 HydrophobicContact CG2-CG 4.48Å; T185-L197 WeakPolarHBondContact OG1-CD2 3.49Å; T185-I200 HydrophobicContact CG2-CD1 3.37Å
186W76.8Confident78.4Confident158 Ų158104.8 Ų104.860%0.59851%0.512SS*.Hα-helixtrans-67.8-32.1174.3-79.859.8000113.5V182 K183V182-W186 PolarHBondContact O-N 2.79Å; K183-W186 PolarHBondContact O-N 3.43Å
187K76.5Confident77.8Confident175 Ų17599.1 Ų99.176%0.76149%0.494SS*.Hα-helixtrans-77.1-23.1176.4-74.3-176.9178.2-171.30113.9K183 T189K183-K187 WeakPolarHBondContact O-CG 3.38Å; K183-K187 PolarHBondContact O-N 3.08Å; K187-T189 PolarHBondContact O-N 3.02Å
188K69Low77.3Confident139 Ų13999 Ų9960%0.60450%0.495SS*.SBendtrans-85.698.3179.4-72.6175.7-177.8-178.50108.9S184 T185 G190S184-K188 WeakPolarHBondContact O-CG 3.29Å; S184-K188 PolarHBondContact O-N 3.3Å; T185-K188 PolarHBondContact O-N 3.23Å; K188-G190 PolarHBondContact O-N 3.21Å
189T56.2Low77Confident153 Ų153102.4 Ų102.494%0.93951%0.51SS*.  trans-66.9110.4172.2-28.90000108.7K187K187-T189 PolarHBondContact O-N 3.02Å
190G63.6Low76.6Confident51 Ų51100.1 Ų100.153%0.52650%0.495SS..  trans-172.3154.6-178.800000112.9K188 N192K188-G190 PolarHBondContact O-N 3.21Å; G190-N192 PolarHBondContact O-N 2.73Å; G190-N192 VanDerWaalsContact O-N 3.11Å
191I59.7Low76.2Confident173 Ų173100.9 Ų100.989%0.88750%0.501SS*.THydrogen-bonded Turntrans-68.3-7-166.1-67.5162.6000114.4
192N69.1Low76Confident97 Ų97104.2 Ų104.252%0.51952%0.516SS..THydrogen-bonded Turntrans-118.840.2-177.7-60.114.4000112.9G190 E195 K196G190-N192 PolarHBondContact O-N 2.73Å; G190-N192 VanDerWaalsContact O-N 3.11Å; N192-E195 PolarHBondContact ND2-OE2 2.65Å; N192-K196 PolarHBondContact O-N 2.8Å
193R70.7Confident75.8Confident101 Ų101108.3 Ų108.338%0.38153%0.532SS..Hα-helixtrans-65.5-43.5-174.6178.4177.2170.1178.8-6.1113.2L197R193-L197 HydrophobicContact CG-CD1 4.01Å; R193-L197 WeakPolarHBondContact O-CG 3.48Å; R193-L197 PolarHBondContact O-N 3.49Å; R193-L197 VanDerWaalsContact O-N 3.13Å
194E73.9Confident75.4Confident156 Ų156103.8 Ų103.873%0.72951%0.512SS*.Hα-helixtrans-68-48.7-175.7-68.8177.1174.700110.8K196 L197 E198E194-K196 VanDerWaalsContact C-N 3.27Å; E194-K196 PolarHBondContact O-N 2.87Å; E194-L197 WeakPolarHBondContact O-CB 3.48Å; E194-L197 PolarHBondContact O-N 3.42Å; E194-L197 VanDerWaalsContact O-N 3.1Å; E194-E198 WeakPolarHBondContact O-CG 3.49Å; E194-E198 PolarHBondContact O-N 2.96Å
195E78.6Confident75.1Confident109 Ų109106.6 Ų106.651%0.50952%0.518SS..Hα-helixtrans-55.8-41176.6-61.3178.7167.400112.5N192 E198 Q199N192-E195 PolarHBondContact ND2-OE2 2.65Å; E195-E198 PolarHBondContact O-N 3.18Å; E195-Q199 WeakPolarHBondContact O-CB 3.46Å; E195-Q199 VanDerWaalsContact O-CG 3.26Å; E195-Q199 WeakPolarHBondContact O-CG 3.32Å; E195-Q199 PolarHBondContact O-N 2.99Å
196K76.6Confident74.6Confident108 Ų108113.8 Ų113.847%0.4755%0.548SS..Hα-helixtrans-71.6-35.5-179.9-132.3167.4-169157.60112.5T185 N192 E194 I200T185-K196 HydrophobicContact CG2-CB 4.38Å; T185-K196 HydrophobicContact CG2-CG 4.48Å; N192-K196 PolarHBondContact O-N 2.8Å; E194-K196 VanDerWaalsContact C-N 3.27Å; E194-K196 PolarHBondContact O-N 2.87Å; K196-I200 WeakPolarHBondContact O-CD1 3.34Å; K196-I200 VanDerWaalsContact O-CG1 3.28Å; K196-I200 WeakPolarHBondContact O-CG1 3.36Å; K196-I200 PolarHBondContact O-N 3.19Å
197L79.4Confident74.2Confident43 Ų43112.5 Ų112.523%0.22555%0.553CS.*Hα-helixtrans-67.8-40.6173.4-78166.8000111V182 T185 R193 E194 I200 L201V182-L197 HydrophobicContact CG1-CD2 4.24Å; V182-L197 HydrophobicContact CG2-CD2 4.42Å; T185-L197 WeakPolarHBondContact OG1-CD2 3.49Å; R193-L197 HydrophobicContact CG-CD1 4.01Å; R193-L197 WeakPolarHBondContact O-CG 3.48Å; R193-L197 PolarHBondContact O-N 3.49Å; R193-L197 VanDerWaalsContact O-N 3.13Å; E194-L197 WeakPolarHBondContact O-CB 3.48Å; E194-L197 PolarHBondContact O-N 3.42Å; E194-L197 VanDerWaalsContact O-N 3.1Å; L197-I200 PolarHBondContact O-N 3.29Å; L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 PolarHBondContact O-N 2.74Å
198E80.2Confident73.6Confident123 Ų123110.9 Ų110.958%0.57554%0.543SS*.Hα-helixtrans-65.5-40.5175.6-73.3-174.4176.400112.4E194 E195 L201 N202E194-E198 WeakPolarHBondContact O-CG 3.49Å; E194-E198 PolarHBondContact O-N 2.96Å; E195-E198 PolarHBondContact O-N 3.18Å; E198-L201 PolarHBondContact O-N 2.94Å; E198-N202 VanDerWaalsContact O-CB 3.24Å; E198-N202 WeakPolarHBondContact O-CB 3.45Å; E198-N202 VanDerWaalsContact O-CG 3.29Å; E198-N202 PolarHBondContact O-N 3.32Å; E198-N202 PolarHBondContact O-ND2 2.96Å
199Q83.1Confident73.2Confident125 Ų125109.5 Ų109.558%0.58454%0.539SS*.Hα-helixtrans-59.8-48.6174.2-76.4170.811.800111.8E195 L201 N202 E203E195-Q199 WeakPolarHBondContact O-CB 3.46Å; E195-Q199 VanDerWaalsContact O-CG 3.26Å; E195-Q199 WeakPolarHBondContact O-CG 3.32Å; E195-Q199 PolarHBondContact O-N 2.99Å; Q199-L201 PolarHBondContact O-N 3.39Å; Q199-N202 PolarHBondContact O-N 3.05Å; Q199-E203 WeakPolarHBondContact O-CB 3.31Å; Q199-E203 PolarHBondContact O-N 3.45Å
200I80.8Confident73.1Confident24 Ų24107.2 Ų107.212%0.12353%0.527CS..Hα-helixtrans-61.9-46.3177.1-67163.6000109.9L178 A181 T185 K196 L197 N202 E203 F204L178-I200 HydrophobicContact CD1-CG2 4.07Å; A181-I200 HydrophobicContact CB-CD1 4.18Å; A181-I200 HydrophobicContact CB-CG2 3.97Å; T185-I200 HydrophobicContact CG2-CD1 3.37Å; K196-I200 WeakPolarHBondContact O-CD1 3.34Å; K196-I200 VanDerWaalsContact O-CG1 3.28Å; K196-I200 WeakPolarHBondContact O-CG1 3.36Å; K196-I200 PolarHBondContact O-N 3.19Å; L197-I200 PolarHBondContact O-N 3.29Å; I200-N202 VanDerWaalsContact C-N 3.31Å; I200-N202 PolarHBondContact O-N 2.9Å; I200-E203 PolarHBondContact O-N 3.27Å; I200-F204 HydrophobicContact CG2-CD2 3.99Å; I200-F204 HydrophobicContact CG2-CE2 4.02Å; I200-F204 VanDerWaalsContact O-CD2 3.26Å; I200-F204 WeakPolarHBondContact O-CD2 3.39Å; I200-F204 PolarHBondContact O-N 3.06Å; I200-F204 VanDerWaalsContact O-N 3.13Å
201L82.6Confident72.8Confident108 Ų108113 Ų11357%0.56554%0.537SS*.Hα-helixtrans-64-38.4-179.5-170.664000111.8L197 E198 Q199 K205L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 PolarHBondContact O-N 2.74Å; E198-L201 PolarHBondContact O-N 2.94Å; Q199-L201 PolarHBondContact O-N 3.39Å; L201-K205 WeakPolarHBondContact O-CB 3.33Å; L201-K205 PolarHBondContact O-N 3.21Å
202N82.5Confident72.2Confident95 Ų95110.2 Ų110.251%0.50852%0.524SS..Hα-helixtrans-69.2-36.7177.4-79.7-26.3000112.8E198 Q199 I200 K205 K206E198-N202 VanDerWaalsContact O-CB 3.24Å; E198-N202 WeakPolarHBondContact O-CB 3.45Å; E198-N202 VanDerWaalsContact O-CG 3.29Å; E198-N202 PolarHBondContact O-N 3.32Å; E198-N202 PolarHBondContact O-ND2 2.96Å; Q199-N202 PolarHBondContact O-N 3.05Å; I200-N202 VanDerWaalsContact C-N 3.31Å; I200-N202 PolarHBondContact O-N 2.9Å; N202-K205 PolarHBondContact O-N 2.93Å; N202-K206 WeakPolarHBondContact O-CB 3.44Å; N202-K206 PolarHBondContact O-N 3.37Å
203E81.1Confident71.3Confident134 Ų134111.9 Ų111.963%0.62653%0.533SS*.Hα-helixtrans-62.3-50.8175.1-170.4174-165.200110.7Q199 I200 K205 K206Q199-E203 WeakPolarHBondContact O-CB 3.31Å; Q199-E203 PolarHBondContact O-N 3.45Å; I200-E203 PolarHBondContact O-N 3.27Å; E203-K205 VanDerWaalsContact C-N 3.35Å; E203-K205 PolarHBondContact O-N 3.25Å; E203-K206 PolarHBondContact O-N 2.87Å
204F78.3Confident70.1Confident46 Ų46115.5 Ų115.520%0.20255%0.552CS.*Hα-helixtrans-70-29.4177.4-78-97.5000113K177 L178 I200 K206 D207 Y208K177-F204 HydrophobicContact CB-CZ 4.27Å; L178-F204 HydrophobicContact CB-CD1 4.23Å; L178-F204 HydrophobicContact CB-CE1 3.96Å; L178-F204 HydrophobicContact CB-CZ 4.19Å; L178-F204 HydrophobicContact CD1-CB 4.36Å; L178-F204 HydrophobicContact CD1-CD1 4.27Å; L178-F204 HydrophobicContact CD1-CD2 3.87Å; L178-F204 HydrophobicContact CD1-CE2 4.17Å; L178-F204 HydrophobicContact CD1-CG 3.91Å; L178-F204 HydrophobicContact CD1-CZ 4.5Å; I200-F204 HydrophobicContact CG2-CD2 3.99Å; I200-F204 HydrophobicContact CG2-CE2 4.02Å; I200-F204 VanDerWaalsContact O-CD2 3.26Å; I200-F204 WeakPolarHBondContact O-CD2 3.39Å; I200-F204 PolarHBondContact O-N 3.06Å; I200-F204 VanDerWaalsContact O-N 3.13Å; F204-K206 VanDerWaalsContact C-N 3.35Å; F204-D207 PolarHBondContact O-N 3.43Å; F204-Y208 WeakPolarHBondContact O-CD2 3.21Å
205K77.3Confident68.5Low110 Ų110112.9 Ų112.948%0.47855%0.551SS.*Hα-helixtrans-67.4-35.8175.6-176-179.5176.2-168.80111.8L201 N202 E203 D207 Y208 E209L201-K205 WeakPolarHBondContact O-CB 3.33Å; L201-K205 PolarHBondContact O-N 3.21Å; N202-K205 PolarHBondContact O-N 2.93Å; E203-K205 VanDerWaalsContact C-N 3.35Å; E203-K205 PolarHBondContact O-N 3.25Å; K205-D207 PolarHBondContact O-N 3.42Å; K205-Y208 PolarHBondContact O-N 2.81Å; K205-Y208 VanDerWaalsContact O-N 3.16Å; K205-E209 WeakPolarHBondContact CE-OE1 3.32Å; K205-E209 HydrophobicContact CG-CG 4.49Å; K205-E209 PolarHBondContact O-N 3.25Å
206K70.6Confident66.7Low162 Ų162114.9 Ų114.970%0.70457%0.565SS**Hα-helixtrans-63.8-27.4178.9-162.6175.1-178179.30112.9N202 E203 F204N202-K206 WeakPolarHBondContact O-CB 3.44Å; N202-K206 PolarHBondContact O-N 3.37Å; E203-K206 PolarHBondContact O-N 2.87Å; F204-K206 VanDerWaalsContact C-N 3.35Å
207D67.8Low65.2Low131 Ų131116.4 Ų116.470%0.70158%0.583SS**Hα-helixtrans-81.3-23.6176.7-67.9-21.4000113.5F204 K205F204-D207 PolarHBondContact O-N 3.43Å; K205-D207 PolarHBondContact O-N 3.42Å
208Y63.9Low63.2Low140 Ų140124.8 Ų124.855%0.54962%0.618SS.*Hα-helixtrans-100.5-15.5-179.4-83.2-95.7000113.8E174 F204 K205 P210E174-Y208 PolarHBondContact OE2-OH 2.82Å; F204-Y208 WeakPolarHBondContact O-CD2 3.21Å; K205-Y208 PolarHBondContact O-N 2.81Å; K205-Y208 VanDerWaalsContact O-N 3.16Å; Y208-P210 WeakPolarHBondContact O-CD 3.26Å
209E60Low61.1Low111 Ų111121.4 Ų121.452%0.51962%0.615SS.*SBendtrans-69.7123168-86.9-171.817700109.5K205 K211K205-E209 WeakPolarHBondContact CE-OE1 3.32Å; K205-E209 HydrophobicContact CG-CG 4.49Å; K205-E209 PolarHBondContact O-N 3.25Å; E209-K211 PolarHBondContact O-N 3.43Å
210P55.8Low59Low105 Ų105121.1 Ų121.168%0.68263%0.627SS**  trans-61.6112.8172.226.1-30.6000106.3Y208 N212Y208-P210 WeakPolarHBondContact O-CD 3.26Å; P210-N212 VanDerWaalsContact C-N 3.29Å; P210-N212 PolarHBondContact O-N 3Å
211K55.8Low57.1Low172 Ų172125.1 Ų125.175%0.74866%0.657SS**  trans-49.5104.3163.9-70.5-174.9-179.3179.20106.1E209 D213E209-K211 PolarHBondContact O-N 3.43Å; K211-D213 PolarHBondContact O-N 3.35Å
212N48.9Very low55.5Low114 Ų114125.3 Ų125.361%0.6167%0.668SS**  trans-71.269.3167.7-92.1-43.7000105.6P210 K214P210-N212 VanDerWaalsContact C-N 3.29Å; P210-N212 PolarHBondContact O-N 3Å; N212-K214 PolarHBondContact O-N 3.09Å; N212-K214 PolarHBondContact OD1-NZ 2.73Å
213D48.6Very low54Low132 Ų132126.1 Ų126.171%0.70668%0.681SS**  trans-72.765.6157.5-67.9-24.8000106.2K211K211-D213 PolarHBondContact O-N 3.35Å
214K45.5Very low52.4Low178 Ų178126.5 Ų126.577%0.77469%0.687SS**  trans-112.749.4168.4-72.4-177.9-176.41560107.8N212N212-K214 PolarHBondContact O-N 3.09Å; N212-K214 PolarHBondContact OD1-NZ 2.73Å
215S41Very low50.8Low101 Ų101133.7 Ų133.771%0.70672%0.717SS**SBendtrans-91.7119.5156.347.40000107.6
216N40.6Very low49.3Very low150 Ų150131.6 Ų131.680%0.80272%0.717SS**SBendtrans65.368.8164.2-78.6-15.9000120.5
217V45.2Very low48.6Very low141 Ų141132.6 Ų132.686%0.85572%0.721SS**  trans-137.965140.6-166.70000110G219V217-G219 PolarHBondContact O-N 2.87Å
218K37.8Very low48.4Very low219 Ų219131.8 Ų131.895%0.95271%0.713SS**  trans-85.988.3159-83.1-179.7177.51730107.3
219G36.6Very low48.5Very low51 Ų51129.4 Ų129.453%0.52671%0.713SS.*SBendtrans168107.5174.300000114.5V217V217-G219 PolarHBondContact O-N 2.87Å
220S38.4Very low49.1Very low119 Ų119128.1 Ų128.183%0.83272%0.722SS**  trans73.692.1166.286.80000117.7
221S40.6Very low49.8Very low108 Ų108130.7 Ų130.776%0.75572%0.722SS**  trans-133.829.2169.776.60000114.4S223S221-S223 VanDerWaalsContact C-N 3.31Å; S221-S223 PolarHBondContact O-N 2.73Å
222S48.6Very low50.2Low113 Ų113125.5 Ų125.579%0.7970%0.703SS**SBendtrans-78.4-7.9175.256.30000114.5
223S50.8Low50.9Low112 Ų112127.2 Ų127.278%0.78370%0.702SS**SBendtrans-121.2-3.8-168.8-155.90000116.6S221S221-S223 VanDerWaalsContact C-N 3.31Å; S221-S223 PolarHBondContact O-N 2.73Å
224L48Very low51.9Low142 Ų142123.6 Ų123.674%0.74369%0.69SS**  trans-112.657.9-176-73.4160.3000112.6S226L224-S226 PolarHBondContact O-N 2.99Å
225K45.9Very low52.8Low196 Ų196118.8 Ų118.885%0.85267%0.673SS**  trans-8674.6173.2-69.8177.8-176.8170.30110.7
226S45Very low53.8Low66 Ų66121 Ų12146%0.46267%0.666SS.*  trans-134.343.8170.390.20000113.6L224L224-S226 PolarHBondContact O-N 2.99Å
227F55.6Low54.8Low183 Ų183124.6 Ų124.680%0.80367%0.668SS**SBendtrans-139.6125.5160.2-67.1-76.3000108.5T229F227-T229 PolarHBondContact O-N 3.43Å
228H64.7Low56Low114 Ų114124.9 Ų124.953%0.52866%0.658SS.*  trans-59111.4179.7-68.6-54.8000109.6D232 Y233 R236H228-D232 WeakPolarHBondContact CA-OD2 3.41Å; H228-D232 HydrophobicContact CB-CB 4.21Å; H228-D232 IonicContact ND1-OD2 3.75Å; H228-Y233 HydrophobicContact CB-CD2 4.26Å; H228-Y233 HydrophobicContact CB-CE2 3.92Å; H228-R236 PolarHBondContact CD2-NH2 3.38Å; H228-R236 PolarHBondContact CE1-NH2 3.01Å; H228-R236 PolarHBondContact ND1-NH2 3.37Å; H228-R236 PolarHBondContact NE2-NH2 2.9Å; H228-R236 VanDerWaalsContact NE2-NH2 3.12Å
229T65.3Low57.7Low90 Ų90120.2 Ų120.255%0.55264%0.642SS**  trans-69.3158.7179.8-17.70000109.2F227 K231 D232 Y233F227-T229 PolarHBondContact O-N 3.43Å; T229-K231 PolarHBondContact O-N 3.24Å; T229-D232 PolarHBondContact N-OD2 3Å; T229-D232 WeakPolarHBondContact O-CA 3.33Å; T229-D232 WeakPolarHBondContact O-CB 3.17Å; T229-D232 PolarHBondContact O-N 3.17Å; T229-Y233 PolarHBondContact O-N 3.5Å
230A72Confident59.7Low84 Ų84122.3 Ų122.369%0.69464%0.641SS**Hα-helixtrans-52.5-30.3173.700000112.4Y233 A234A230-Y233 PolarHBondContact O-N 3.39Å; A230-A234 PolarHBondContact O-N 3.46Å
231K70.4Confident61.8Low159 Ų159123.1 Ų123.169%0.69163%0.632SS**Hα-helixtrans-65.4-33.5172.6-158.6169.5-172.7169.70113.6T229 A234 N235T229-K231 PolarHBondContact O-N 3.24Å; K231-A234 PolarHBondContact O-N 2.98Å; K231-N235 WeakPolarHBondContact O-CB 3.48Å; K231-N235 PolarHBondContact O-N 3.28Å; K231-N235 PolarHBondContact O-ND2 3.28Å
232D64.8Low63.8Low64 Ų64125.9 Ų125.934%0.34263%0.63SS.*Hα-helixtrans-71.9-35.7174-70.3-21.7000112H228 T229 R236H228-D232 WeakPolarHBondContact CA-OD2 3.41Å; H228-D232 HydrophobicContact CB-CB 4.21Å; H228-D232 IonicContact ND1-OD2 3.75Å; T229-D232 PolarHBondContact N-OD2 3Å; T229-D232 WeakPolarHBondContact O-CA 3.33Å; T229-D232 WeakPolarHBondContact O-CB 3.17Å; T229-D232 PolarHBondContact O-N 3.17Å; D232-R236 PolarHBondContact O-N 3.46Å; D232-R236 VanDerWaalsContact O-N 3.15Å
233Y64.4Low65.3Low149 Ų149128.6 Ų128.658%0.58462%0.623SS**Hα-helixtrans-66.1-42.1171.2-85.2-82.9000111.6H228 T229 A230 R236 R237H228-Y233 HydrophobicContact CB-CD2 4.26Å; H228-Y233 HydrophobicContact CB-CE2 3.92Å; T229-Y233 PolarHBondContact O-N 3.5Å; A230-Y233 PolarHBondContact O-N 3.39Å; Y233-R236 PolarHBondContact O-N 3.48Å; Y233-R237 PolarHBondContact O-N 3.27Å
234A68Low66.9Low56 Ų56125.6 Ų125.646%0.46360%0.6SS.*Hα-helixtrans-64.2-39.5175.500000112.7A230 K231 R236 R237A230-A234 PolarHBondContact O-N 3.46Å; K231-A234 PolarHBondContact O-N 2.98Å; A234-R236 VanDerWaalsContact C-N 3.31Å; A234-R236 PolarHBondContact O-N 2.95Å; A234-R237 PolarHBondContact O-N 3.48Å
235N64.8Low68.6Low77 Ų77125.5 Ų125.541%0.41259%0.591SS.*Hα-helixtrans-69.7-25.4176-77.2-37.5000113.2K231 K238K231-N235 WeakPolarHBondContact O-CB 3.48Å; K231-N235 PolarHBondContact O-N 3.28Å; K231-N235 PolarHBondContact O-ND2 3.28Å; N235-K238 PolarHBondContact O-N 3.34Å; N235-K238 PolarHBondContact OD1-NZ 2.95Å
236R63.1Low70.5Confident147 Ų147122.5 Ų122.556%0.55558%0.578SS**Hα-helixtrans-73.1-23.8171.2-86.1-172.5-98.3-145.5-5.3114H228 D232 Y233 A234 K238H228-R236 PolarHBondContact CD2-NH2 3.38Å; H228-R236 PolarHBondContact CE1-NH2 3.01Å; H228-R236 PolarHBondContact ND1-NH2 3.37Å; H228-R236 PolarHBondContact NE2-NH2 2.9Å; H228-R236 VanDerWaalsContact NE2-NH2 3.12Å; D232-R236 PolarHBondContact O-N 3.46Å; D232-R236 VanDerWaalsContact O-N 3.15Å; Y233-R236 PolarHBondContact O-N 3.48Å; A234-R236 VanDerWaalsContact C-N 3.31Å; A234-R236 PolarHBondContact O-N 2.95Å; R236-K238 VanDerWaalsContact C-N 3.3Å
237R61.8Low72.3Confident226 Ų226123.8 Ų123.885%0.85358%0.579SS**THydrogen-bonded Turntrans-77.7-11.9172.3-74.3-172.4174.7179.6-1.1113.5Y233 A234 I239Y233-R237 PolarHBondContact O-N 3.27Å; A234-R237 PolarHBondContact O-N 3.48Å; R237-I239 PolarHBondContact O-N 2.74Å
238K69.8Low73.7Confident147 Ų147120.2 Ų120.264%0.63957%0.568SS**SBendtrans-64.9122.8171.8-72.8178.7177165.50108.8N235 R236 N240N235-K238 PolarHBondContact O-N 3.34Å; N235-K238 PolarHBondContact OD1-NZ 2.95Å; R236-K238 VanDerWaalsContact C-N 3.3Å; K238-N240 PolarHBondContact O-N 2.82Å
239I73Confident74.6Confident122 Ų122116.9 Ų116.963%0.62655%0.553SS**  trans-44.5113.9176.4-69.4169.3000109.1R237 Q241 V244R237-I239 PolarHBondContact O-N 2.74Å; I239-Q241 PolarHBondContact O-N 2.91Å; I239-V244 HydrophobicContact CG2-CB 4.42Å; I239-V244 HydrophobicContact CG2-CG2 3.11Å
240N78.3Confident75.4Confident94 Ų94118.7 Ų118.750%0.50355%0.55SS.*  trans-67.999.5176.6180-9.8000107.9K238 K242 R243 V244K238-N240 PolarHBondContact O-N 2.82Å; N240-K242 PolarHBondContact O-N 2.81Å; N240-K242 VanDerWaalsContact O-N 3.11Å; N240-K242 WeakPolarHBondContact OD1-CB 3.03Å; N240-K242 PolarHBondContact OD1-N 3.12Å; N240-K242 VanDerWaalsContact OD1-N 3.13Å; N240-R243 HydrophobicContact CB-CB 3.95Å; N240-R243 CarbonylContact O-C 3.59Å; N240-R243 WeakPolarHBondContact O-CA 3.49Å; N240-R243 WeakPolarHBondContact O-CB 3.3Å; N240-R243 PolarHBondContact O-N 3.35Å; N240-R243 PolarHBondContact OD1-N 3.21Å; N240-V244 PolarHBondContact O-N 3.01Å
241Q82.5Confident75.9Confident136 Ų136115.6 Ų115.664%0.63653%0.526SS*.Hα-helixtrans-54.9-31.5-177.7-67.5-67-600112.6I239 V244 Y245I239-Q241 PolarHBondContact O-N 2.91Å; Q241-V244 PolarHBondContact O-N 2.97Å; Q241-Y245 WeakPolarHBondContact O-CB 3.44Å; Q241-Y245 PolarHBondContact O-N 3.13Å
242K82.3Confident76.4Confident166 Ų166117.2 Ų117.272%0.72254%0.536SS*.Hα-helixtrans-66.4-37.3173.1-64.7-175177.8-178.20112.1N240 K246N240-K242 PolarHBondContact O-N 2.81Å; N240-K242 VanDerWaalsContact O-N 3.11Å; N240-K242 WeakPolarHBondContact OD1-CB 3.03Å; N240-K242 PolarHBondContact OD1-N 3.12Å; N240-K242 VanDerWaalsContact OD1-N 3.13Å; K242-K246 WeakPolarHBondContact O-CG 3.49Å; K242-K246 PolarHBondContact O-N 3.22Å; K242-K246 VanDerWaalsContact O-N 3.1Å
243R81.8Confident77.1Confident171 Ų171117.4 Ų117.465%0.64555%0.553SS**Hα-helixtrans-71.5-41.2175.7-174.8-177.4-96.6-143.3-3.6110.8N240 K246 N247N240-R243 HydrophobicContact CB-CB 3.95Å; N240-R243 CarbonylContact O-C 3.59Å; N240-R243 WeakPolarHBondContact O-CA 3.49Å; N240-R243 WeakPolarHBondContact O-CB 3.3Å; N240-R243 PolarHBondContact O-N 3.35Å; N240-R243 PolarHBondContact OD1-N 3.21Å; R243-K246 PolarHBondContact O-N 2.95Å; R243-N247 WeakPolarHBondContact O-CB 3.4Å; R243-N247 PolarHBondContact O-N 3.46Å
244V84.6Confident77.5Confident48 Ų48113.6 Ų113.629%0.29156%0.559SS.*Hα-helixtrans-59.2-48.9174.2174.60000111.1I239 N240 Q241 K246 N247 N248I239-V244 HydrophobicContact CG2-CB 4.42Å; I239-V244 HydrophobicContact CG2-CG2 3.11Å; N240-V244 PolarHBondContact O-N 3.01Å; Q241-V244 PolarHBondContact O-N 2.97Å; V244-K246 VanDerWaalsContact C-N 3.32Å; V244-K246 PolarHBondContact O-N 2.8Å; V244-N247 PolarHBondContact O-N 3.21Å; V244-N248 VanDerWaalsContact O-CG 3.27Å; V244-N248 PolarHBondContact O-N 3.48Å; V244-N248 PolarHBondContact O-OD1 3.04Å
245Y83.2Confident77.7Confident141 Ų141120.1 Ų120.155%0.55358%0.58SS**Hα-helixtrans-57.1-45176177.5-96000112.1Q241 N248 K249Q241-Y245 WeakPolarHBondContact O-CB 3.44Å; Q241-Y245 PolarHBondContact O-N 3.13Å; Y245-N248 PolarHBondContact O-N 3.38Å; Y245-K249 HydrophobicContact CE1-CD 3.97Å; Y245-K249 WeakPolarHBondContact O-CB 3.16Å; Y245-K249 PolarHBondContact O-N 3.23Å
246K84.4Confident78Confident133 Ų133118.6 Ų118.658%0.57857%0.57SS**Hα-helixtrans-66-38.5176.6-76.2-175.4178.1-1670112.8K242 R243 V244 K249 Y250 G251K242-K246 WeakPolarHBondContact O-CG 3.49Å; K242-K246 PolarHBondContact O-N 3.22Å; K242-K246 VanDerWaalsContact O-N 3.1Å; R243-K246 PolarHBondContact O-N 2.95Å; V244-K246 VanDerWaalsContact C-N 3.32Å; V244-K246 PolarHBondContact O-N 2.8Å; K246-K249 PolarHBondContact O-N 2.93Å; K246-Y250 WeakPolarHBondContact O-CA 3.39Å; K246-Y250 WeakPolarHBondContact O-CB 3.45Å; K246-Y250 PolarHBondContact O-N 3.35Å; K246-G251 PolarHBondContact O-N 2.95Å
247N84.7Confident78.4Confident92 Ų92120.7 Ų120.749%0.49258%0.583SS.*Hα-helixtrans-65.7-40.8175.8-796.9000110.9R243 V244 G251R243-N247 WeakPolarHBondContact O-CB 3.4Å; R243-N247 PolarHBondContact O-N 3.46Å; V244-N247 PolarHBondContact O-N 3.21Å; N247-G251 WeakPolarHBondContact O-CA 3.35Å; N247-G251 PolarHBondContact O-N 3.2Å
248N83.4Confident79Confident108 Ų108120.6 Ų120.658%0.57858%0.583SS**Hα-helixtrans-68.1-39.5176.7-66.1-2.4000112V244 Y245V244-N248 VanDerWaalsContact O-CG 3.27Å; V244-N248 PolarHBondContact O-N 3.48Å; V244-N248 PolarHBondContact O-OD1 3.04Å; Y245-N248 PolarHBondContact O-N 3.38Å
249K83.2Confident79.2Confident45 Ų45118.8 Ų118.820%0.19658%0.576CS.*Hα-helixtrans-78.4-39.1-179-168.6167.8-176.9173.40113.4Y245 K246 Q259Y245-K249 HydrophobicContact CE1-CD 3.97Å; Y245-K249 WeakPolarHBondContact O-CB 3.16Å; Y245-K249 PolarHBondContact O-N 3.23Å; K246-K249 PolarHBondContact O-N 2.93Å; K249-Q259 WeakPolarHBondContact CE-O 3.29Å
250Y83.5Confident79.3Confident128 Ų128119.2 Ų119.250%0.50257%0.574SS.*Hα-helixtrans-125.1-26-170.6-54-68.3000114.6K246 K256K246-Y250 WeakPolarHBondContact O-CA 3.39Å; K246-Y250 WeakPolarHBondContact O-CB 3.45Å; K246-Y250 PolarHBondContact O-N 3.35Å; Y250-K256 PolarHBondContact O-NZ 3.34Å
251G81.9Confident79.3Confident19 Ų19118 Ų11820%0.19657%0.572CS.*SBendtrans-75.8140.8-171.400000115K246 N247 K256K246-G251 PolarHBondContact O-N 2.95Å; N247-G251 WeakPolarHBondContact O-CA 3.35Å; N247-G251 PolarHBondContact O-N 3.2Å; G251-K256 WeakPolarHBondContact O-CE 3.39Å; G251-K256 PolarHBondContact O-NZ 3.1Å
252H81.1Confident79Confident192 Ų192118.2 Ų118.289%0.88958%0.578SS**SBendtrans-64.7138.7-170.2-59.2-91000113.4
253G79.7Confident78.5Confident69 Ų69114.3 Ų114.371%0.71157%0.568SS**SBendtrans106.9129.3-176.800000113.8
254G73.5Confident78Confident69 Ų69110.9 Ų110.971%0.71157%0.57SS**SBendtrans92.8155.7-179.600000115.2K256G254-K256 PolarHBondContact O-N 3Å
255Q72.1Confident77.1Confident193 Ų193115.9 Ų115.990%0.90259%0.591SS**  trans-64.8116176.1-79.9-171.3-12.700110.7
256K71.2Confident76.3Confident44 Ų44111.1 Ų111.119%0.19158%0.578CS.*  trans-108.410.9176.5-59.9-179.2-170164.70114Y250 G251 G254 R258 Q259Y250-K256 PolarHBondContact O-NZ 3.34Å; G251-K256 WeakPolarHBondContact O-CE 3.39Å; G251-K256 PolarHBondContact O-NZ 3.1Å; G254-K256 PolarHBondContact O-N 3Å; K256-R258 PolarHBondContact O-N 3.14Å; K256-Q259 PolarHBondContact O-N 2.8Å; K256-Q259 VanDerWaalsContact O-N 3.14Å
257K71.5Confident75.1Confident191 Ų191110 Ų11083%0.8358%0.582SS**THydrogen-bonded Turntrans-55.3127.1-176.8-81.5-174.2174.7-179.50108.8Q259K257-Q259 VanDerWaalsContact C-N 3.28Å; K257-Q259 PolarHBondContact O-N 3.47Å
258R72.8Confident73.8Confident225 Ų225111.4 Ų111.485%0.84959%0.59SS**THydrogen-bonded Turntrans69.3-1.4-179.9-50.2179.9178.8178.3-0.9117.8K256 K260 S261K256-R258 PolarHBondContact O-N 3.14Å; R258-K260 VanDerWaalsContact C-N 3.27Å; R258-K260 PolarHBondContact O-N 3.27Å; R258-S261 WeakPolarHBondContact CA-OG 3.49Å; R258-S261 PolarHBondContact O-OG 3.16Å
259Q74.2Confident72.4Confident108 Ų108110.3 Ų110.351%0.50558%0.583SS.*THydrogen-bonded Turntrans-72.9-21.8174.7-72-95.4-19.200113.1K249 K256 K257K249-Q259 WeakPolarHBondContact CE-O 3.29Å; K256-Q259 PolarHBondContact O-N 2.8Å; K256-Q259 VanDerWaalsContact O-N 3.14Å; K257-Q259 VanDerWaalsContact C-N 3.28Å; K257-Q259 PolarHBondContact O-N 3.47Å
260K76Confident70.8Confident131 Ų131112.1 Ų112.157%0.5761%0.614SS**THydrogen-bonded Turntrans-94.9-7.9179.6-62.4-176.8-179.6-177.10113.8R258R258-K260 VanDerWaalsContact C-N 3.27Å; R258-K260 PolarHBondContact O-N 3.27Å
261S77.8Confident69.3Low68 Ų68110.1 Ų110.148%0.47662%0.624SS.*SBendtrans-82.4147.2175.442.70000111R258 T263R258-S261 WeakPolarHBondContact CA-OG 3.49Å; R258-S261 PolarHBondContact O-OG 3.16Å; S261-T263 PolarHBondContact O-N 3.39Å
262N75.3Confident67.9Low142 Ų142120.9 Ų120.976%0.75966%0.659SS**PPolyproline II helixtrans-65.8122.3173.8-65.8-23.7000109.3S266N262-S266 WeakPolarHBondContact CA-OG 3.12Å; N262-S266 VanDerWaalsContact CB-OG 3.31Å; N262-S266 WeakPolarHBondContact CB-OG 3.43Å
263T72.5Confident66.7Low83 Ų83122 Ų12251%0.50966%0.656SS.*PPolyproline II helixtrans-85.7159.4166.349.50000109.5S261 E265 S266S261-T263 PolarHBondContact O-N 3.39Å; T263-E265 PolarHBondContact O-N 2.9Å; T263-S266 PolarHBondContact N-OG 3.37Å; T263-S266 WeakPolarHBondContact O-CA 3.17Å; T263-S266 WeakPolarHBondContact O-CB 3.3Å; T263-S266 PolarHBondContact O-N 3.15Å; T263-S266 PolarHBondContact O-OG 3.29Å
264S71.5Confident65.6Low99 Ų99123.8 Ų123.869%0.69265%0.648SS**Hα-helixtrans-52.8-30.2175.560.40000112.9V267S264-V267 PolarHBondContact O-N 2.8Å
265E66.2Low64.6Low153 Ų153128.4 Ų128.472%0.71565%0.649SS**Hα-helixtrans-64.5-38.1172.7-63.1-158.6151.100113T263 V267 N268 I269T263-E265 PolarHBondContact O-N 2.9Å; E265-V267 VanDerWaalsContact C-N 3.26Å; E265-V267 PolarHBondContact O-N 3.36Å; E265-N268 PolarHBondContact O-N 3.48Å; E265-I269 WeakPolarHBondContact O-CG1 3.5Å
266S65.3Low64Low41 Ų41120.9 Ų120.929%0.28762%0.618SS.*Hα-helixtrans-68.9-23-178.768.70000113.8N262 T263 N268N262-S266 WeakPolarHBondContact CA-OG 3.12Å; N262-S266 VanDerWaalsContact CB-OG 3.31Å; N262-S266 WeakPolarHBondContact CB-OG 3.43Å; T263-S266 PolarHBondContact N-OG 3.37Å; T263-S266 WeakPolarHBondContact O-CA 3.17Å; T263-S266 WeakPolarHBondContact O-CB 3.3Å; T263-S266 PolarHBondContact O-N 3.15Å; T263-S266 PolarHBondContact O-OG 3.29Å; S266-N268 VanDerWaalsContact C-N 3.27Å; S266-N268 PolarHBondContact O-N 3.01Å
267V58.8Low63.3Low111 Ų111125 Ų12567%0.67364%0.638SS**Hα-helixtrans-72.6-23177.4-166.10000111.4S264 E265S264-V267 PolarHBondContact O-N 2.8Å; E265-V267 VanDerWaalsContact C-N 3.26Å; E265-V267 PolarHBondContact O-N 3.36Å
268N58Low62.7Low121 Ų121118.2 Ų118.265%0.64761%0.61SS**THydrogen-bonded Turntrans-99.64.2-176.5-85.1-53000115.1E265 S266E265-N268 PolarHBondContact O-N 3.48Å; S266-N268 VanDerWaalsContact C-N 3.27Å; S266-N268 PolarHBondContact O-N 3.01Å
269I54.1Low62.2Low85 Ų85115 Ų11544%0.43660%0.602SS.*SBendtrans-80.6-24.3-175.6-65.4174000112E265 A271 D274E265-I269 WeakPolarHBondContact O-CG1 3.5Å; I269-A271 PolarHBondContact O-N 3.32Å; I269-D274 WeakPolarHBondContact CG2-OD2 3.49Å
270G50.3Low61.5Low82 Ų82115.8 Ų115.885%0.84561%0.606SS**THydrogen-bonded Turntrans-74.2-15.9-172.600000117
271A50.6Low60.8Low87 Ų87118.5 Ų118.572%0.71962%0.621SS**THydrogen-bonded Turntrans-98-42-164.600000115.9I269I269-A271 PolarHBondContact O-N 3.32Å
272R52.5Low59.8Low244 Ų244116.6 Ų116.692%0.92161%0.609SS**THydrogen-bonded Turntrans-153.1-3.9-169-72-168.6165.8145.6-5.1118.2
273R55.9Low59.8Low217 Ų217114.1 Ų114.182%0.81960%0.599SS**THydrogen-bonded Turntrans-104.6-19.9-167.5-72.6-176.9173.3154.6-0.4116.2
274D57Low59.9Low105 Ų105115.4 Ų115.456%0.56161%0.609SS**SBendtrans-91.5-15.9-171.4-80.9-11.6000115.6I269 S276I269-D274 WeakPolarHBondContact CG2-OD2 3.49Å; D274-S276 VanDerWaalsContact C-N 3.32Å; D274-S276 PolarHBondContact O-N 3.31Å
275F53.4Low60.2Low166 Ų166116.9 Ų116.973%0.72861%0.609SS**  trans-78.981.6175-156.9-94.9000111.2Q277F275-Q277 HydrophobicContact CD1-CG 4.46Å; F275-Q277 HydrophobicContact CE1-CG 4.2Å
276S58.3Low60.8Low35 Ų35115.5 Ų115.525%0.24560%0.601CS.*  trans-85.7111.2168-1780000109.4D274 L278 K279 H280D274-S276 VanDerWaalsContact C-N 3.32Å; D274-S276 PolarHBondContact O-N 3.31Å; S276-L278 PolarHBondContact O-N 2.86Å; S276-L278 PolarHBondContact OG-N 3.05Å; S276-K279 PolarHBondContact O-N 3.27Å; S276-H280 PolarHBondContact O-N 3.43Å
277Q57.4Low61.3Low131 Ų131114.4 Ų114.461%0.61259%0.594SS**Hα-helixtrans-53.3-27.2169.8-72.5177.8-800112.4F275 K279 I290F275-Q277 HydrophobicContact CD1-CG 4.46Å; F275-Q277 HydrophobicContact CE1-CG 4.2Å; Q277-K279 VanDerWaalsContact C-N 3.3Å; Q277-K279 PolarHBondContact O-N 3.14Å; Q277-I290 HydrophobicContact CB-CD1 4.38Å
278L59.8Low62.4Low48 Ų48116.9 Ų116.925%0.25160%0.596SS.*Hα-helixtrans-67.3-28.8174-72.782000113.3S276 I290 R291S276-L278 PolarHBondContact O-N 2.86Å; S276-L278 PolarHBondContact OG-N 3.05Å; L278-I290 HydrophobicContact CD1-CB 3.74Å; L278-I290 HydrophobicContact CD1-CD1 4.07Å; L278-I290 HydrophobicContact CD1-CG2 3.32Å; L278-I290 HydrophobicContact CG-CB 4.2Å; L278-I290 HydrophobicContact CG-CD1 4.27Å; L278-I290 HydrophobicContact CG-CG2 4.31Å; L278-R291 HydrophobicContact CD2-CG 3.75Å
279K60.9Low63.5Low157 Ų157116.8 Ų116.868%0.68359%0.592SS**Hα-helixtrans-85.6-21.6-176.6-70.8-178.2-176.9172.90112.6S276 Q277S276-K279 PolarHBondContact O-N 3.27Å; Q277-K279 VanDerWaalsContact C-N 3.3Å; Q277-K279 PolarHBondContact O-N 3.14Å
280H60Low64.8Low125 Ų125114.2 Ų114.258%0.57958%0.578SS**Hα-helixtrans-111.2-29.4-166.6-72.9-74000116.4S276S276-H280 PolarHBondContact O-N 3.43Å
281Q61Low66.3Low189 Ų189118.7 Ų118.788%0.88357%0.57SS**THydrogen-bonded Turntrans-153.516.1179.6-67.2-166.8-2.100116.1
282A57.5Low67.8Low28 Ų28117 Ų11723%0.23155%0.553CS.*  trans-88.9121.8-174.800000113K286 A287A282-K286 HydrophobicContact CB-CB 4.16Å; A282-K286 HydrophobicContact CB-CG 4.43Å; A282-A287 HydrophobicContact CB-CB 4.21Å
283T74Confident69.4Low89 Ų89109.4 Ų109.455%0.54653%0.531SS..  trans-55.3153159.856.90000110N285 K286 A287T283-N285 PolarHBondContact O-N 2.9Å; T283-N285 VanDerWaalsContact O-N 3.07Å; T283-K286 PolarHBondContact O-N 3.16Å; T283-A287 PolarHBondContact O-N 2.83Å
284P76.5Confident70.7Confident111 Ų111103.3 Ų103.372%0.72151%0.514SS*.Hα-helixtrans-53.8-34.1-176.515.2-28.5000113.7A287 K288P284-A287 PolarHBondContact O-N 3.29Å; P284-K288 PolarHBondContact O-N 3.36Å; P284-K288 VanDerWaalsContact O-N 3.08Å
285N77.6Confident72Confident130 Ų130107.2 Ų107.270%0.69552%0.521SS*.Hα-helixtrans-65.2-46.2174.1-71.4-12000112.2T283 A287 K288 Q289T283-N285 PolarHBondContact O-N 2.9Å; T283-N285 VanDerWaalsContact O-N 3.07Å; N285-A287 VanDerWaalsContact C-N 3.32Å; N285-A287 PolarHBondContact O-N 3.21Å; N285-K288 PolarHBondContact O-N 3.06Å; N285-Q289 PolarHBondContact O-N 3.5Å; N285-Q289 VanDerWaalsContact O-N 3.09Å
286K77.6Confident73.5Confident123 Ų123105.8 Ų105.854%0.53552%0.515SS..Hα-helixtrans-65.8-36.4177.7-163.4156.9-173.5172.10111.4A282 T283 K288 Q289 I290A282-K286 HydrophobicContact CB-CB 4.16Å; A282-K286 HydrophobicContact CB-CG 4.43Å; T283-K286 PolarHBondContact O-N 3.16Å; K286-K288 PolarHBondContact O-N 3.33Å; K286-Q289 PolarHBondContact O-N 3.49Å; K286-I290 HydrophobicContact CG-CD1 4.24Å; K286-I290 VanDerWaalsContact O-CG1 3.27Å; K286-I290 WeakPolarHBondContact O-CG1 3.48Å; K286-I290 PolarHBondContact O-N 2.98Å
287A76.5Confident74.7Confident18 Ų18108.9 Ų108.915%0.14953%0.528CS..Hα-helixtrans-62.8-40.4173.500000112.5A282 T283 P284 N285 R291A282-A287 HydrophobicContact CB-CB 4.21Å; T283-A287 PolarHBondContact O-N 2.83Å; P284-A287 PolarHBondContact O-N 3.29Å; N285-A287 VanDerWaalsContact C-N 3.32Å; N285-A287 PolarHBondContact O-N 3.21Å; A287-R291 WeakPolarHBondContact O-CG 3.16Å; A287-R291 PolarHBondContact O-N 3.36Å; A287-R291 VanDerWaalsContact O-N 3.08Å
288K80.7Confident76Confident163 Ų163110.1 Ų110.171%0.70953%0.531SS*.Hα-helixtrans-63.6-41.9175.6-166.5178.1-179.1-1770111.6P284 N285 K286 R291 S292P284-K288 PolarHBondContact O-N 3.36Å; P284-K288 VanDerWaalsContact O-N 3.08Å; N285-K288 PolarHBondContact O-N 3.06Å; K286-K288 PolarHBondContact O-N 3.33Å; K288-R291 PolarHBondContact O-N 3.12Å; K288-S292 PolarHBondContact O-N 3.37Å
289Q82.7Confident77.2Confident120 Ų120113.4 Ų113.456%0.56155%0.545SS*.Hα-helixtrans-66.8-42.2178.2-163.917711.800112.7N285 K286 R291 S292 N293N285-Q289 PolarHBondContact O-N 3.5Å; N285-Q289 VanDerWaalsContact O-N 3.09Å; K286-Q289 PolarHBondContact O-N 3.49Å; Q289-R291 VanDerWaalsContact C-N 3.33Å; Q289-R291 PolarHBondContact O-N 3.46Å; Q289-S292 PolarHBondContact O-N 3.16Å; Q289-S292 PolarHBondContact O-OG 3.16Å; Q289-N293 PolarHBondContact O-N 3.45Å
290I80Confident78.3Confident30 Ų30113.5 Ų113.515%0.15455%0.545CS..Hα-helixtrans-67.8-36.5177.1-56.1160.6000110.7Q277 L278 K286 N293 N294Q277-I290 HydrophobicContact CB-CD1 4.38Å; L278-I290 HydrophobicContact CD1-CB 3.74Å; L278-I290 HydrophobicContact CD1-CD1 4.07Å; L278-I290 HydrophobicContact CD1-CG2 3.32Å; L278-I290 HydrophobicContact CG-CB 4.2Å; L278-I290 HydrophobicContact CG-CD1 4.27Å; L278-I290 HydrophobicContact CG-CG2 4.31Å; K286-I290 HydrophobicContact CG-CD1 4.24Å; K286-I290 VanDerWaalsContact O-CG1 3.27Å; K286-I290 WeakPolarHBondContact O-CG1 3.48Å; K286-I290 PolarHBondContact O-N 2.98Å; I290-N293 PolarHBondContact O-N 2.94Å; I290-N294 WeakPolarHBondContact O-CB 3.32Å; I290-N294 PolarHBondContact O-N 2.85Å
291R81.9Confident79.4Confident176 Ų176116 Ų11666%0.66455%0.55SS**Hα-helixtrans-61.6-43.6173.5-75-178.9-174.2177.12.2112.1L278 A287 K288 Q289 N294 R295L278-R291 HydrophobicContact CD2-CG 3.75Å; A287-R291 WeakPolarHBondContact O-CG 3.16Å; A287-R291 PolarHBondContact O-N 3.36Å; A287-R291 VanDerWaalsContact O-N 3.08Å; K288-R291 PolarHBondContact O-N 3.12Å; Q289-R291 VanDerWaalsContact C-N 3.33Å; Q289-R291 PolarHBondContact O-N 3.46Å; R291-N294 PolarHBondContact O-N 3.25Å; R291-R295 WeakPolarHBondContact O-CB 3.05Å; R291-R295 PolarHBondContact O-N 3.41Å
292S83.5Confident80.5Confident52 Ų52114.5 Ų114.536%0.36454%0.54SS..Hα-helixtrans-65.5-42.2178.2700000111.4K288 Q289 R295 K296K288-S292 PolarHBondContact O-N 3.37Å; Q289-S292 PolarHBondContact O-N 3.16Å; Q289-S292 PolarHBondContact O-OG 3.16Å; S292-R295 PolarHBondContact O-N 3Å; S292-K296 WeakPolarHBondContact O-CG 3.4Å; S292-K296 PolarHBondContact O-N 3.24Å
293N84.2Confident81.6Confident85 Ų85120.6 Ų120.646%0.45556%0.562SS.*Hα-helixtrans-62-44.7176.1-72.9-9.3000112.2Q289 I290 R295 K296 L297Q289-N293 PolarHBondContact O-N 3.45Å; I290-N293 PolarHBondContact O-N 2.94Å; N293-R295 VanDerWaalsContact C-N 3.31Å; N293-R295 PolarHBondContact O-N 2.87Å; N293-K296 PolarHBondContact O-N 2.98Å; N293-L297 WeakPolarHBondContact O-CB 2.79Å; N293-L297 PolarHBondContact O-N 3.44Å
294N83.3Confident81.8Confident88 Ų88121.8 Ų121.847%0.47156%0.563SS.*Hα-helixtrans-63.6-35.5175.6-84-26.4000112.8I290 R291 L297 K298I290-N294 WeakPolarHBondContact O-CB 3.32Å; I290-N294 PolarHBondContact O-N 2.85Å; R291-N294 PolarHBondContact O-N 3.25Å; N294-L297 PolarHBondContact O-N 3.48Å; N294-K298 PolarHBondContact O-N 2.91Å
295R84.7Confident81.9Confident188 Ų188121.3 Ų121.371%0.70956%0.557SS**Hα-helixtrans-66.4-43.9175.7-155.3176.6-172.1175.81.5110.9R291 S292 N293 K298 Q299R291-R295 WeakPolarHBondContact O-CB 3.05Å; R291-R295 PolarHBondContact O-N 3.41Å; S292-R295 PolarHBondContact O-N 3Å; N293-R295 VanDerWaalsContact C-N 3.31Å; N293-R295 PolarHBondContact O-N 2.87Å; R295-K298 PolarHBondContact O-N 3.32Å; R295-Q299 WeakPolarHBondContact O-CG 3.15Å; R295-Q299 PolarHBondContact O-N 3.42Å
296K84.6Confident81.8Confident136 Ų136123.7 Ų123.759%0.59156%0.562SS**Hα-helixtrans-60.6-42.7173.2-71.6-178.7178.6-1760111.8S292 N293 Q299 K300S292-K296 WeakPolarHBondContact O-CG 3.4Å; S292-K296 PolarHBondContact O-N 3.24Å; N293-K296 PolarHBondContact O-N 2.98Å; K296-Q299 PolarHBondContact O-N 3.08Å; K296-K300 PolarHBondContact O-N 2.86Å
297L84.6Confident81.5Confident100 Ų100128.2 Ų128.252%0.52458%0.575SS.*Hα-helixtrans-64.5-43178.8-149.9100.9000112N293 N294 Q299 K300 R301N293-L297 WeakPolarHBondContact O-CB 2.79Å; N293-L297 PolarHBondContact O-N 3.44Å; N294-L297 PolarHBondContact O-N 3.48Å; L297-Q299 PolarHBondContact O-N 3.31Å; L297-K300 PolarHBondContact O-N 3.48Å; L297-R301 WeakPolarHBondContact O-CG 3.43Å; L297-R301 PolarHBondContact O-N 2.94Å
298K84.8Confident80.9Confident157 Ų157137.9 Ų137.968%0.68361%0.608SS**Hα-helixtrans-61.5-41.3173.7-86.3-171.6175.2-174.80112.2N294 R295 R301 K302N294-K298 PolarHBondContact O-N 2.91Å; R295-K298 PolarHBondContact O-N 3.32Å; K298-R301 PolarHBondContact O-N 3.42Å; K298-K302 PolarHBondContact O-N 2.97Å
299Q84.1Confident79.9Confident116 Ų116136 Ų13654%0.54264%0.635SS.*Hα-helixtrans-64.9-43.2175.9-74.8176.2-1900111.9R295 K296 L297 K302 K303R295-Q299 WeakPolarHBondContact O-CG 3.15Å; R295-Q299 PolarHBondContact O-N 3.42Å; K296-Q299 PolarHBondContact O-N 3.08Å; L297-Q299 PolarHBondContact O-N 3.31Å; Q299-K302 PolarHBondContact O-N 3.36Å; Q299-K303 PolarHBondContact O-N 3Å
300K85.1Confident79.7Confident159 Ų159136.8 Ų136.869%0.69164%0.639SS**Hα-helixtrans-58.5-46.8172.7-92.2-170.2173.5-173.90111.8K296 L297 K302 K303 M304K296-K300 PolarHBondContact O-N 2.86Å; L297-K300 PolarHBondContact O-N 3.48Å; K300-K302 PolarHBondContact O-N 2.9Å; K300-K303 PolarHBondContact O-N 3.36Å; K300-M304 WeakPolarHBondContact O-CG 3.2Å; K300-M304 PolarHBondContact O-N 2.81Å
301R83.3Confident79.7Confident179 Ų179142.4 Ų142.468%0.67566%0.664SS**Hα-helixtrans-61.9-43.5178.2-70.2178.894.7159.26112L297 K298 K303 M304 T305L297-R301 WeakPolarHBondContact O-CG 3.43Å; L297-R301 PolarHBondContact O-N 2.94Å; K298-R301 PolarHBondContact O-N 3.42Å; R301-K303 VanDerWaalsContact C-N 3.32Å; R301-K303 PolarHBondContact O-N 3.13Å; R301-M304 PolarHBondContact O-N 3.02Å; R301-T305 WeakPolarHBondContact O-CG2 3.18Å; R301-T305 PolarHBondContact O-N 3.41Å; R301-T305 PolarHBondContact O-OG1 3.39Å
302K82.7Confident79.6Confident156 Ų156140.6 Ų140.668%0.67866%0.664SS**Hα-helixtrans-61.4-36.8174.7-77.8-169.9174.7-166.60113.2K298 Q299 K300 T305 K306K298-K302 PolarHBondContact O-N 2.97Å; Q299-K302 PolarHBondContact O-N 3.36Å; K300-K302 PolarHBondContact O-N 2.9Å; K302-T305 PolarHBondContact O-OG1 3.38Å; K302-T305 VanDerWaalsContact O-OG1 3.06Å; K302-K306 PolarHBondContact O-N 3.37Å
303K81.5Confident79.3Confident157 Ų157145.8 Ų145.868%0.68368%0.682SS**Hα-helixtrans-70-37.3175-75.6-171.4176.1-170.40112.2Q299 K300 R301 R307Q299-K303 PolarHBondContact O-N 3Å; K300-K303 PolarHBondContact O-N 3.36Å; R301-K303 VanDerWaalsContact C-N 3.32Å; R301-K303 PolarHBondContact O-N 3.13Å; K303-R307 PolarHBondContact O-N 3.16Å
304M78.1Confident79Confident114 Ų114149.6 Ų149.656%0.56270%0.696SS**Hα-helixtrans-69.8-38.7177.2-69.9-72.5-73.300112.4K300 R301 K306 R307 R308K300-M304 WeakPolarHBondContact O-CG 3.2Å; K300-M304 PolarHBondContact O-N 2.81Å; R301-M304 PolarHBondContact O-N 3.02Å; M304-K306 VanDerWaalsContact C-N 3.35Å; M304-R307 PolarHBondContact O-N 3.16Å; M304-R308 PolarHBondContact O-N 3.35Å
305T77.3Confident78.8Confident100 Ų100153.7 Ų153.761%0.61371%0.711SS**Hα-helixtrans-69.3-33.4176.754.70000112.2R301 K302 R307 R308R301-T305 WeakPolarHBondContact O-CG2 3.18Å; R301-T305 PolarHBondContact O-N 3.41Å; R301-T305 PolarHBondContact O-OG1 3.39Å; K302-T305 PolarHBondContact O-OG1 3.38Å; K302-T305 VanDerWaalsContact O-OG1 3.06Å; T305-R307 PolarHBondContact O-N 3.17Å; T305-R308 PolarHBondContact O-N 3.02Å
306K75.7Confident78.3Confident181 Ų181151.2 Ų151.279%0.78771%0.711SS**THydrogen-bonded Turntrans-73-10172.1-84.7-166.8172.9-164.50114.5K302 M304K302-K306 PolarHBondContact O-N 3.37Å; M304-K306 VanDerWaalsContact C-N 3.35Å
307R71.3Confident77.8Confident217 Ų217152.4 Ų152.482%0.81972%0.72SS**THydrogen-bonded Turntrans-100.7-2.4175.8-83.9-175155.3-175.4-7.3112.9K303 M304 T305K303-R307 PolarHBondContact O-N 3.16Å; M304-R307 PolarHBondContact O-N 3.16Å; T305-R307 PolarHBondContact O-N 3.17Å
308R65.5Low77.3Confident222 Ų222156.8 Ų156.884%0.83874%0.737SS**  trans-116.84.9-176-82-170.1163.8-164.9-5.1113.7M304 T305M304-R308 PolarHBondContact O-N 3.35Å; T305-R308 PolarHBondContact O-N 3.02Å
309G58Low76.6Confident123 Ų123156.7 Ų156.7100%1.26874%0.741SS**  trans-132.30164.200000107.6

Retrieved 309 of 309 residues in 175.1 ms (Link to these results)