A0A087XVA1_POEFO Loading...

BCL2 associated athanogene 3

AlphaFold DB , UniProt , Accession A0A087XVA1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 515 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.9Very low37.5Very low243 Ų243143.8 Ų143.8100%1.19782%0.815SS**  0140.10-68.5166.7169.700107.3
2S39.4Very low37.9Very low109 Ų109139.8 Ų139.876%0.76281%0.814SS**  trans38.8116.7171-53.50000118.8
3Q40.3Very low38Very low161 Ų161140.1 Ų140.175%0.75282%0.818SS**  53.6126.280.6-56.4-14696.800112.8
4Y42.1Very low37.7Very low211 Ų211144.4 Ų144.483%0.82782%0.822SS**  cis-140.2163.741.2-73-95.4000116.2
5S37.5Very low38.2Very low116 Ų116144.3 Ų144.381%0.81183%0.825SS**  trans-80.3177.2161.5-41.30000111.1
6A35Very low37.8Very low85 Ų85147.1 Ų147.170%0.70283%0.829SS**  cis-148.51644.700000109.7
7A38.3Very low37.5Very low93 Ų93144.2 Ų144.277%0.76982%0.821SS**  36.6138.299.600000116.2
8C33.7Very low37.6Very low136 Ų136142.7 Ų142.792%0.91982%0.817SS**  cis-147.5-179.229.9-1290000114.4
9N32.8Very low37.7Very low127 Ų127144.2 Ų144.268%0.67982%0.818SS**  trans-106.2161.4-174-170.517.9000113.1
10M41.1Very low38.1Very low140 Ų140143.2 Ų143.269%0.6982%0.818SS**  trans45.8124.8154.770.1-162.2174.400121.1
11N30.8Very low38.5Very low161 Ų161140.8 Ų140.886%0.86182%0.816SS**  -171.9159.7108.2-97.7-50.7000112.4
12A41.9Very low38.5Very low96 Ų96133.2 Ų133.279%0.79379%0.792SS**  trans-97.3140.3-172.400000113.5
13V38.7Very low38.7Very low143 Ų143137.2 Ų137.287%0.86780%0.801SS**  trans-136.9123.1164-76.90000112.8
14K34.6Very low38.6Very low201 Ų201133.6 Ų133.687%0.87480%0.798SS**  trans12.1136.8146.5-111.5167.1176.4174.20120.5
15T44.9Very low38.7Very low143 Ų143129.4 Ų129.488%0.87779%0.794SS**  trans-26.8126.9158.6-48.40000115.7
16Q32Very low39.3Very low188 Ų188129.7 Ų129.788%0.87979%0.787SS**  trans-146.6133.1157.6-163.8159.188.100110.5
17S33.2Very low40.1Very low99 Ų99132 Ų13269%0.69279%0.788SS**  trans-82.9141.1176.1-1730000110.3M19S17-M19 PolarHBondContact O-N 3.11Å
18P39.4Very low41Very low117 Ų117133.8 Ų133.876%0.7680%0.795SS**  trans-70.9114.5173.629-33.1000110.7P20P18-P20 WeakPolarHBondContact O-CD 3.39Å
19M37.9Very low42.8Very low170 Ų170132.8 Ų132.884%0.83778%0.776SS**  trans-77.1127.1170.5-80.9-175.8156.800111.6S17 A21S17-M19 PolarHBondContact O-N 3.11Å; M19-A21 VanDerWaalsContact C-N 3.34Å; M19-A21 HydrophobicContact CB-CB 4.43Å; M19-A21 PolarHBondContact O-N 3.31Å
20P47Very low45.1Very low125 Ų125132 Ų13281%0.81278%0.778SS**  trans-83.178.2158.233.7-31.2000109.7P18 A22P18-P20 WeakPolarHBondContact O-CD 3.39Å; P20-A22 VanDerWaalsContact C-N 3.32Å; P20-A22 PolarHBondContact O-N 2.87Å
21A45.5Very low47.2Very low93 Ų93127.5 Ų127.577%0.76976%0.757SS**  trans-83.166.6-177.600000113M19M19-A21 VanDerWaalsContact C-N 3.34Å; M19-A21 HydrophobicContact CB-CB 4.43Å; M19-A21 PolarHBondContact O-N 3.31Å
22A42.3Very low49.9Very low84 Ų84122.1 Ų122.169%0.69473%0.731SS**SBendtrans-155.8143.8167.100000112P20P20-A22 VanDerWaalsContact C-N 3.32Å; P20-A22 PolarHBondContact O-N 2.87Å
23M43.1Very low52.1Low193 Ų193125.4 Ų125.495%0.95173%0.734SS**SBendtrans66.951169.7-55.2-168.2177.300118.1
24A39.3Very low54.6Low84 Ų84120.1 Ų120.169%0.69471%0.708SS**  trans-137.80.2161.700000115.4N26A24-N26 VanDerWaalsContact C-N 3.34Å; A24-N26 PolarHBondContact O-N 3.27Å
25T44Very low57.4Low123 Ų123113.5 Ų113.576%0.75568%0.678SS**  trans-74.877.4-172.754.10000113.6D27T25-D27 WeakPolarHBondContact CA-OD2 3.44Å
26N49.9Very low59.7Low122 Ų122110 Ų11065%0.65265%0.652SS**  trans-114.352.6159.8-75.7-76.2000108.8A24 S28 R62A24-N26 VanDerWaalsContact C-N 3.34Å; A24-N26 PolarHBondContact O-N 3.27Å; N26-S28 VanDerWaalsContact C-N 3.32Å; N26-S28 PolarHBondContact O-N 3.43Å; N26-R62 PolarHBondContact O-NH1 2.83Å
27D52.3Low62.7Low135 Ų135104.4 Ų104.472%0.72263%0.63SS**THydrogen-bonded Turntrans-87.313-173.6-72.4-79.4000114.5T25 E29T25-D27 WeakPolarHBondContact CA-OD2 3.44Å; D27-E29 VanDerWaalsContact C-N 3.26Å; D27-E29 PolarHBondContact O-N 3.43Å
28S57.6Low65.5Low130 Ų130103.8 Ų103.891%0.90962%0.615SS**THydrogen-bonded Turntrans-74.2-11.4-177.9-57.40000114.6N26N26-S28 VanDerWaalsContact C-N 3.32Å; N26-S28 PolarHBondContact O-N 3.43Å
29E70.3Confident68.1Low114 Ų114103.2 Ų103.253%0.53360%0.604SS.*SBendtrans-147.6125.8178.7-173.3170.8-140.500109.4D27 R62D27-E29 VanDerWaalsContact C-N 3.26Å; D27-E29 PolarHBondContact O-N 3.43Å; E29-R62 WeakPolarHBondContact O-CD 3.47Å; E29-R62 PolarHBondContact O-NH1 3.33Å
30P80.5Confident70.7Confident112 Ų11296.6 Ų96.673%0.72757%0.572SS**PPolyproline II helixtrans-65.5153.1179.928.3-35.1000111.4
31L85.9Confident72.8Confident44 Ų4497 Ų9723%0.2358%0.575CS.*PPolyproline II helixtrans-61.8148.9169.3-68.9172.7000110.4W35 V37 F48 P61 R62L31-W35 HydrophobicContact CB-CB 4.05Å; L31-V37 HydrophobicContact CD1-CB 4Å; L31-V37 HydrophobicContact CD1-CG1 4.04Å; L31-F48 HydrophobicContact CD2-CD1 3.93Å; L31-F48 HydrophobicContact CD2-CE1 4.01Å; L31-P61 HydrophobicContact CD2-CG 4.03Å; L31-R62 HydrophobicContact CD2-CG 4.3Å
32P88.7Confident74.6Confident49 Ų49100.5 Ų100.532%0.31858%0.575SS.*PPolyproline II helixtrans-59.6159.1176.5-22.334.1000112.4G34 W35 P61P32-G34 PolarHBondContact O-N 3.13Å; P32-W35 HydrophobicContact CB-CG 4.39Å; P32-W35 WeakPolarHBondContact O-CB 3.28Å; P32-W35 PolarHBondContact O-N 3.39Å; P32-P61 HydrophobicContact CG-CB 4.15Å; P32-P61 HydrophobicContact CG-CG 4.24Å
33L87.5Confident77Confident164 Ų16499.9 Ų99.986%0.85956%0.563SS**THydrogen-bonded Turntrans-56.7130.4-175.6-125.179.6000111.9W35 N52L33-W35 VanDerWaalsContact C-N 3.33Å; L33-N52 PolarHBondContact O-ND2 3.22Å
34G89.8Confident79.4Confident32 Ų3293 Ų9333%0.3354%0.542SS..THydrogen-bonded Turntrans812.4-177.200000115.3P32 H51P32-G34 PolarHBondContact O-N 3.13Å; G34-H51 VanDerWaalsContact O-CB 3.27Å; G34-H51 WeakPolarHBondContact O-CB 3.47Å; G34-H51 PolarHBondContact O-N 3.37Å
35W94.2Very high82Confident62 Ų6297.4 Ų97.424%0.23554%0.541CS..EExtended strand (participates in β ladder)trans-94.7130.3175.3-71.172.2000112.5L31 P32 L33 F48 V49 D50 T57 P61L31-W35 HydrophobicContact CB-CB 4.05Å; P32-W35 HydrophobicContact CB-CG 4.39Å; P32-W35 WeakPolarHBondContact O-CB 3.28Å; P32-W35 PolarHBondContact O-N 3.39Å; L33-W35 VanDerWaalsContact C-N 3.33Å; W35-F48 HydrophobicContact CE3-CB 3.9Å; W35-F48 HydrophobicContact CZ3-CB 3.93Å; W35-V49 CarbonylContact C-O 3.58Å; W35-V49 VanDerWaalsContact CA-O 3.3Å; W35-V49 WeakPolarHBondContact CA-O 3.23Å; W35-D50 HydrophobicContact CD2-CB 4Å; W35-D50 HydrophobicContact CE3-CB 4.18Å; W35-D50 HydrophobicContact CH2-CB 3.98Å; W35-D50 HydrophobicContact CZ2-CB 3.73Å; W35-D50 WeakPolarHBondContact CZ2-OD2 3.42Å; W35-D50 HydrophobicContact CZ3-CB 4.19Å; W35-T57 HydrophobicContact CH2-CG2 4.02Å; W35-T57 HydrophobicContact CZ3-CG2 3.64Å; W35-P61 HydrophobicContact CD2-CB 3.94Å; W35-P61 HydrophobicContact CD2-CG 3.75Å; W35-P61 HydrophobicContact CE3-CB 3.89Å; W35-P61 HydrophobicContact CE3-CG 3.53Å; W35-P61 HydrophobicContact CG-CG 4.23Å; W35-P61 HydrophobicContact CH2-CB 3.95Å; W35-P61 HydrophobicContact CH2-CG 4.47Å; W35-P61 HydrophobicContact CZ2-CB 4.04Å; W35-P61 HydrophobicContact CZ3-CB 3.88Å; W35-P61 HydrophobicContact CZ3-CG 3.91Å
36E93.6Very high84.3Confident71 Ų7194.3 Ų94.333%0.33252%0.523SS..EExtended strand (participates in β ladder)trans-114.6145.5172.6-162.1-165.5147.300110.1K38 F48 V49 H51E36-K38 WeakPolarHBondContact OE1-CG 3.36Å; E36-K38 IonicContact OE1-NZ 3.26Å; E36-K38 PolarHBondContact OE1-NZ 3.09Å; E36-K38 IonicContact OE2-NZ 3.18Å; E36-K38 PolarHBondContact OE2-NZ 3.49Å; E36-F48 CarbonylContact O-C 3.56Å; E36-F48 WeakPolarHBondContact O-CA 3.46Å; E36-V49 PolarHBondContact N-O 3.12Å; E36-V49 PolarHBondContact O-N 3.33Å; E36-H51 IonicContact OE2-CE1 2.79Å; E36-H51 PolarHBondContact OE2-CE1 2.74Å; E36-H51 IonicContact OE2-NE2 3.08Å
37V94Very high86.4Confident70 Ų7090.5 Ų90.542%0.42450%0.5SS..EExtended strand (participates in β ladder)trans-101.1129.4165.560.80000109.7L31 P46 F47 F48L31-V37 HydrophobicContact CD1-CB 4Å; L31-V37 HydrophobicContact CD1-CG1 4.04Å; V37-P46 HydrophobicContact CG2-CB 3.96Å; V37-F47 WeakPolarHBondContact CA-O 3.18Å; V37-F48 HydrophobicContact CB-CD1 4.04Å; V37-F48 HydrophobicContact CB-CE1 4.1Å; V37-F48 HydrophobicContact CG2-CD1 4.15Å; V37-F48 HydrophobicContact CG2-CE1 3.93Å; V37-F48 HydrophobicContact CG2-CZ 4.43Å
38K93.4Very high88.4Confident85 Ų8584.9 Ų84.937%0.3747%0.469SS..EExtended strand (participates in β ladder)trans-121.8156.3175-82.6177.2155.561.40109.5E36 P46 F47 V49E36-K38 WeakPolarHBondContact OE1-CG 3.36Å; E36-K38 IonicContact OE1-NZ 3.26Å; E36-K38 PolarHBondContact OE1-NZ 3.09Å; E36-K38 IonicContact OE2-NZ 3.18Å; E36-K38 PolarHBondContact OE2-NZ 3.49Å; K38-P46 CarbonylContact O-C 3.56Å; K38-P46 WeakPolarHBondContact O-CA 3.25Å; K38-F47 HydrophobicContact CB-CD1 4.14Å; K38-F47 HydrophobicContact CB-CD2 4.41Å; K38-F47 HydrophobicContact CB-CE1 3.58Å; K38-F47 HydrophobicContact CB-CE2 3.9Å; K38-F47 HydrophobicContact CB-CZ 3.45Å; K38-F47 VanDerWaalsContact CB-CZ 3.45Å; K38-F47 HydrophobicContact CD-CE2 4.21Å; K38-F47 HydrophobicContact CD-CZ 3.93Å; K38-F47 HydrophobicContact CG-CZ 4.34Å; K38-F47 PolarHBondContact N-O 3.19Å; K38-F47 WeakPolarHBondContact O-CD1 3.23Å; K38-F47 PolarHBondContact O-N 2.66Å; K38-F47 VanDerWaalsContact O-O 3.12Å; K38-V49 HydrophobicContact CD-CG2 4.05Å
39I93.6Very high90.2Very high105 Ų10579.6 Ų79.654%0.53843%0.432SS..EExtended strand (participates in β ladder)trans-101.4131.7170.1-53.1-55.1000108.1P41 G44 P46I39-P41 WeakPolarHBondContact O-CD 3.45Å; I39-G44 WeakPolarHBondContact CG2-O 3.42Å; I39-P46 HydrophobicContact CD1-CB 3.88Å
40D92.3Very high91.2Very high31 Ų3174.4 Ų74.417%0.16641%0.408CS..  trans-70.4121.4172.4166.328.3000110H42 T43 G44 W45 F47 W58D40-H42 PolarHBondContact O-N 2.75Å; D40-H42 PolarHBondContact OD1-N 3.39Å; D40-T43 VanDerWaalsContact OD2-CB 3.23Å; D40-T43 WeakPolarHBondContact OD2-CB 3.44Å; D40-T43 WeakPolarHBondContact OD2-CG2 3.47Å; D40-T43 PolarHBondContact OD2-N 3Å; D40-T43 PolarHBondContact OD2-OG1 3.42Å; D40-G44 VanDerWaalsContact O-CA 3.3Å; D40-G44 WeakPolarHBondContact O-CA 3.46Å; D40-G44 PolarHBondContact O-N 3.03Å; D40-W45 PolarHBondContact N-O 2.87Å; D40-F47 HydrophobicContact CB-CD1 4.07Å; D40-F47 HydrophobicContact CB-CE1 4.11Å; D40-W58 HydrophobicContact CB-CH2 3.98Å; D40-W58 HydrophobicContact CB-CZ3 4.4Å
41P90.7Very high91.8Very high134 Ų13474 Ų7487%0.8740%0.396SS*.THydrogen-bonded Turntrans-66.6-16.6179.529.1-37.1000114I39I39-P41 WeakPolarHBondContact O-CD 3.45Å
42H84.6Confident92Very high167 Ų16776.8 Ų76.877%0.77341%0.411SS*.THydrogen-bonded Turntrans-84.8-49.7177.3-176.650.3000112.6D40D40-H42 PolarHBondContact O-N 2.75Å; D40-H42 PolarHBondContact OD1-N 3.39Å
43T92.3Very high92.2Very high70 Ų7080 Ų8043%0.42943%0.426SS..THydrogen-bonded Turntrans-100.6-17.2-173.867.70000114.4D40 W45D40-T43 VanDerWaalsContact OD2-CB 3.23Å; D40-T43 WeakPolarHBondContact OD2-CB 3.44Å; D40-T43 WeakPolarHBondContact OD2-CG2 3.47Å; D40-T43 PolarHBondContact OD2-N 3Å; D40-T43 PolarHBondContact OD2-OG1 3.42Å; T43-W45 VanDerWaalsContact C-N 3.28Å; T43-W45 PolarHBondContact O-N 2.94Å
44G92.8Very high92.4Very high50 Ų5083.2 Ų83.252%0.51543%0.426SS..  trans77.24.7-177.700000115.2I39 D40I39-G44 WeakPolarHBondContact CG2-O 3.42Å; D40-G44 VanDerWaalsContact O-CA 3.3Å; D40-G44 WeakPolarHBondContact O-CA 3.46Å; D40-G44 PolarHBondContact O-N 3.03Å
45W93.6Very high92.4Very high175 Ų17585.1 Ų85.166%0.66343%0.431SS*.  trans-86.8147.7-178.9-69.679.7000112.4D40 T43 W58D40-W45 PolarHBondContact N-O 2.87Å; T43-W45 VanDerWaalsContact C-N 3.28Å; T43-W45 PolarHBondContact O-N 2.94Å; W45-W58 HydrophobicContact CB-CE3 4.33Å; W45-W58 HydrophobicContact CB-CZ3 3.82Å
46P93.7Very high92.4Very high58 Ų5886.9 Ų86.938%0.37745%0.45SS..EExtended strand (participates in β ladder)trans-70.8133.917030-33.6000111V37 K38 I39V37-P46 HydrophobicContact CG2-CB 3.96Å; K38-P46 CarbonylContact O-C 3.56Å; K38-P46 WeakPolarHBondContact O-CA 3.25Å; I39-P46 HydrophobicContact CD1-CB 3.88Å
47F92.6Very high92.2Very high43 Ų4385.9 Ų85.919%0.18945%0.448CS..EExtended strand (participates in β ladder)trans-126.4153166.869.4-84.5000110V37 K38 D40 V49 T56 W58V37-F47 WeakPolarHBondContact CA-O 3.18Å; K38-F47 HydrophobicContact CB-CD1 4.14Å; K38-F47 HydrophobicContact CB-CD2 4.41Å; K38-F47 HydrophobicContact CB-CE1 3.58Å; K38-F47 HydrophobicContact CB-CE2 3.9Å; K38-F47 HydrophobicContact CB-CZ 3.45Å; K38-F47 VanDerWaalsContact CB-CZ 3.45Å; K38-F47 HydrophobicContact CD-CE2 4.21Å; K38-F47 HydrophobicContact CD-CZ 3.93Å; K38-F47 HydrophobicContact CG-CZ 4.34Å; K38-F47 PolarHBondContact N-O 3.19Å; K38-F47 WeakPolarHBondContact O-CD1 3.23Å; K38-F47 PolarHBondContact O-N 2.66Å; K38-F47 VanDerWaalsContact O-O 3.12Å; D40-F47 HydrophobicContact CB-CD1 4.07Å; D40-F47 HydrophobicContact CB-CE1 4.11Å; F47-V49 HydrophobicContact CD2-CG2 3.84Å; F47-V49 HydrophobicContact CE2-CG2 3.56Å; F47-T56 HydrophobicContact CD2-CG2 4.2Å; F47-T56 HydrophobicContact CE2-CG2 4.15Å; F47-W58 HydrophobicContact CB-CD2 4.22Å; F47-W58 HydrophobicContact CB-CE3 3.71Å; F47-W58 HydrophobicContact CB-CH2 4.32Å; F47-W58 HydrophobicContact CB-CZ3 3.76Å; F47-W58 HydrophobicContact CD1-CZ3 4.42Å
48F95.2Very high92.2Very high16 Ų1690 Ų907%0.0746%0.456CS..EExtended strand (participates in β ladder)trans-108.6136-175.7-53.9-92.2000109.2L31 W35 E36 V37 T56 T57 N59 D60L31-F48 HydrophobicContact CD2-CD1 3.93Å; L31-F48 HydrophobicContact CD2-CE1 4.01Å; W35-F48 HydrophobicContact CE3-CB 3.9Å; W35-F48 HydrophobicContact CZ3-CB 3.93Å; E36-F48 CarbonylContact O-C 3.56Å; E36-F48 WeakPolarHBondContact O-CA 3.46Å; V37-F48 HydrophobicContact CB-CD1 4.04Å; V37-F48 HydrophobicContact CB-CE1 4.1Å; V37-F48 HydrophobicContact CG2-CD1 4.15Å; V37-F48 HydrophobicContact CG2-CE1 3.93Å; V37-F48 HydrophobicContact CG2-CZ 4.43Å; F48-T56 CarbonylContact O-C 3.59Å; F48-T56 VanDerWaalsContact O-CA 3.31Å; F48-T56 WeakPolarHBondContact O-CA 3.35Å; F48-T57 HydrophobicContact CB-CG2 4.16Å; F48-T57 PolarHBondContact N-O 2.96Å; F48-T57 PolarHBondContact O-N 3.21Å; F48-N59 VanDerWaalsContact CD2-O 3.25Å; F48-N59 WeakPolarHBondContact CD2-O 3.37Å; F48-D60 HydrophobicContact CD2-CB 4.47Å; F48-D60 HydrophobicContact CE1-CB 4.04Å; F48-D60 VanDerWaalsContact CE2-CA 3.45Å; F48-D60 HydrophobicContact CE2-CB 3.75Å; F48-D60 HydrophobicContact CZ-CB 3.5Å; F48-D60 VanDerWaalsContact CZ-CB 3.5Å; F48-D60 WeakPolarHBondContact CZ-OD2 3.22Å
49V94.4Very high92.1Very high19 Ų1990.1 Ų90.112%0.11546%0.461CS..EExtended strand (participates in β ladder)trans-117122.2-178-167.40000108.7W35 E36 K38 F47 T55 T56W35-V49 CarbonylContact C-O 3.58Å; W35-V49 VanDerWaalsContact CA-O 3.3Å; W35-V49 WeakPolarHBondContact CA-O 3.23Å; E36-V49 PolarHBondContact N-O 3.12Å; E36-V49 PolarHBondContact O-N 3.33Å; K38-V49 HydrophobicContact CD-CG2 4.05Å; F47-V49 HydrophobicContact CD2-CG2 3.84Å; F47-V49 HydrophobicContact CE2-CG2 3.56Å; V49-T55 WeakPolarHBondContact CA-O 3.48Å; V49-T56 HydrophobicContact CB-CG2 4.49Å; V49-T56 HydrophobicContact CG1-CG2 4.13Å; V49-T56 HydrophobicContact CG2-CG2 4.09Å
50D92.8Very high91.8Very high6 Ų686.2 Ų86.23%0.03244%0.441CS..EExtended strand (participates in β ladder)trans-92.8106.2173.3-177.7-10.6000108.9W35 N52 N53 R54 T55W35-D50 HydrophobicContact CD2-CB 4Å; W35-D50 HydrophobicContact CE3-CB 4.18Å; W35-D50 HydrophobicContact CH2-CB 3.98Å; W35-D50 HydrophobicContact CZ2-CB 3.73Å; W35-D50 WeakPolarHBondContact CZ2-OD2 3.42Å; W35-D50 HydrophobicContact CZ3-CB 4.19Å; D50-N52 VanDerWaalsContact C-N 3.27Å; D50-N52 PolarHBondContact O-N 3.23Å; D50-N52 WeakPolarHBondContact OD1-CA 3.33Å; D50-N52 WeakPolarHBondContact OD1-CB 3.22Å; D50-N52 PolarHBondContact OD1-N 2.89Å; D50-N52 PolarHBondContact OD1-ND2 3.2Å; D50-N53 PolarHBondContact OD1-N 2.81Å; D50-N53 WeakPolarHBondContact OD2-CB 3.5Å; D50-N53 PolarHBondContact OD2-ND2 3.15Å; D50-R54 WeakPolarHBondContact O-CA 3.45Å; D50-R54 PolarHBondContact O-N 2.94Å; D50-T55 PolarHBondContact N-O 2.91Å; D50-T55 PolarHBondContact O-N 3.32Å
51H92.3Very high91.5Very high103 Ų10385.3 Ų85.348%0.47744%0.437SS..THydrogen-bonded Turntrans-74.5-15.5178.5-63158.7000113.6G34 E36G34-H51 VanDerWaalsContact O-CB 3.27Å; G34-H51 WeakPolarHBondContact O-CB 3.47Å; G34-H51 PolarHBondContact O-N 3.37Å; E36-H51 IonicContact OE2-CE1 2.79Å; E36-H51 PolarHBondContact OE2-CE1 2.74Å; E36-H51 IonicContact OE2-NE2 3.08Å
52N90.3Very high91.1Very high102 Ų10280.8 Ų80.855%0.54540%0.403SS..THydrogen-bonded Turntrans-72.8-49174.7-44.2-81.9000109.6L33 D50L33-N52 PolarHBondContact O-ND2 3.22Å; D50-N52 VanDerWaalsContact C-N 3.27Å; D50-N52 PolarHBondContact O-N 3.23Å; D50-N52 WeakPolarHBondContact OD1-CA 3.33Å; D50-N52 WeakPolarHBondContact OD1-CB 3.22Å; D50-N52 PolarHBondContact OD1-N 2.89Å; D50-N52 PolarHBondContact OD1-ND2 3.2Å
53N91.7Very high90.4Very high118 Ų11877.4 Ų77.463%0.63139%0.387SS*.THydrogen-bonded Turntrans-97.6-8.7-175.7-63.8-42.1000114.2D50 T55D50-N53 PolarHBondContact OD1-N 2.81Å; D50-N53 WeakPolarHBondContact OD2-CB 3.5Å; D50-N53 PolarHBondContact OD2-ND2 3.15Å; N53-T55 VanDerWaalsContact C-N 3.29Å; N53-T55 HydrophobicContact CB-CG2 4.35Å; N53-T55 PolarHBondContact O-N 3.37Å
54R93.3Very high89Confident230 Ų23076.2 Ų76.287%0.86838%0.378SS*.THydrogen-bonded Turntrans58.335-174.9-53.9-177.8-177.4176.81.2113.8D50D50-R54 WeakPolarHBondContact O-CA 3.45Å; D50-R54 PolarHBondContact O-N 2.94Å
55T89.4Confident87.4Confident72 Ų7277.6 Ų77.644%0.44238%0.376SS..EExtended strand (participates in β ladder)trans-106158.4178.650.50000111.4V49 D50 N53V49-T55 WeakPolarHBondContact CA-O 3.48Å; D50-T55 PolarHBondContact N-O 2.91Å; D50-T55 PolarHBondContact O-N 3.32Å; N53-T55 VanDerWaalsContact C-N 3.29Å; N53-T55 HydrophobicContact CB-CG2 4.35Å; N53-T55 PolarHBondContact O-N 3.37Å
56T93.8Very high85.5Confident100 Ų10076.8 Ų76.861%0.61337%0.373SS*.EExtended strand (participates in β ladder)trans-120.9150.7169.955.10000110.2F47 F48 V49F47-T56 HydrophobicContact CD2-CG2 4.2Å; F47-T56 HydrophobicContact CE2-CG2 4.15Å; F48-T56 CarbonylContact O-C 3.59Å; F48-T56 VanDerWaalsContact O-CA 3.31Å; F48-T56 WeakPolarHBondContact O-CA 3.35Å; V49-T56 HydrophobicContact CB-CG2 4.49Å; V49-T56 HydrophobicContact CG1-CG2 4.13Å; V49-T56 HydrophobicContact CG2-CG2 4.09Å
57T90.7Very high83.5Confident50 Ų5081.5 Ų81.531%0.30739%0.388SS..EExtended strand (participates in β ladder)trans-152.5152.3177.9178.20000111.2W35 F48 N59W35-T57 HydrophobicContact CH2-CG2 4.02Å; W35-T57 HydrophobicContact CZ3-CG2 3.64Å; F48-T57 HydrophobicContact CB-CG2 4.16Å; F48-T57 PolarHBondContact N-O 2.96Å; F48-T57 PolarHBondContact O-N 3.21Å; T57-N59 WeakPolarHBondContact CG2-O 3.22Å; T57-N59 PolarHBondContact OG1-N 3.06Å; T57-N59 VanDerWaalsContact OG1-N 3.14Å
58W93.8Very high81.3Confident155 Ų15585.9 Ų85.959%0.58741%0.412SS*.SBendtrans-88.7-10.3173.5-57.5100.3000112.5D40 W45 F47D40-W58 HydrophobicContact CB-CH2 3.98Å; D40-W58 HydrophobicContact CB-CZ3 4.4Å; W45-W58 HydrophobicContact CB-CE3 4.33Å; W45-W58 HydrophobicContact CB-CZ3 3.82Å; F47-W58 HydrophobicContact CB-CD2 4.22Å; F47-W58 HydrophobicContact CB-CE3 3.71Å; F47-W58 HydrophobicContact CB-CH2 4.32Å; F47-W58 HydrophobicContact CB-CZ3 3.76Å; F47-W58 HydrophobicContact CD1-CZ3 4.42Å
59N90.4Very high78.8Confident89 Ų8996.3 Ų96.348%0.47645%0.451SS..SBendtrans-85.4134.4173.5-85.131.1000111.3F48 T57 D64F48-N59 VanDerWaalsContact CD2-O 3.25Å; F48-N59 WeakPolarHBondContact CD2-O 3.37Å; T57-N59 WeakPolarHBondContact CG2-O 3.22Å; T57-N59 PolarHBondContact OG1-N 3.06Å; T57-N59 VanDerWaalsContact OG1-N 3.14Å; N59-D64 WeakPolarHBondContact CB-OD2 3.44Å; N59-D64 PolarHBondContact ND2-OD2 3.31Å
60D88.4Confident76.4Confident22 Ų22104.6 Ų104.612%0.11849%0.488CS..  trans-68.9122.8172.1-169.9-42.3000110.3F48 R62 H63F48-D60 HydrophobicContact CD2-CB 4.47Å; F48-D60 HydrophobicContact CE1-CB 4.04Å; F48-D60 VanDerWaalsContact CE2-CA 3.45Å; F48-D60 HydrophobicContact CE2-CB 3.75Å; F48-D60 HydrophobicContact CZ-CB 3.5Å; F48-D60 VanDerWaalsContact CZ-CB 3.5Å; F48-D60 WeakPolarHBondContact CZ-OD2 3.22Å; D60-R62 PolarHBondContact O-N 2.77Å; D60-R62 WeakPolarHBondContact OD1-CB 3.46Å; D60-R62 WeakPolarHBondContact OD1-CG 3.47Å; D60-R62 IonicContact OD1-CZ 2.69Å; D60-R62 PolarHBondContact OD1-N 2.69Å; D60-R62 IonicContact OD1-NE 3.17Å; D60-R62 PolarHBondContact OD1-NE 3.43Å; D60-R62 IonicContact OD2-CZ 1.77Å; D60-R62 IonicContact OD2-NE 3.54Å; D60-R62 PolarHBondContact OD2-NE 2.86Å; D60-R62 IonicContact OD2-NH2 2.47Å; D60-R62 PolarHBondContact OD2-NH2 2.88Å; D60-H63 HydrophobicContact CB-CB 4.18Å; D60-H63 WeakPolarHBondContact O-CA 3.25Å; D60-H63 WeakPolarHBondContact O-CB 3.39Å; D60-H63 PolarHBondContact O-N 3.09Å
61P84.3Confident74.2Confident12 Ų12110.5 Ų110.58%0.07852%0.524CS..Hα-helixtrans-60.7-30-178.627.7-38.3000112.6L31 P32 W35 H63 D64 T65L31-P61 HydrophobicContact CD2-CG 4.03Å; P32-P61 HydrophobicContact CG-CB 4.15Å; P32-P61 HydrophobicContact CG-CG 4.24Å; W35-P61 HydrophobicContact CD2-CB 3.94Å; W35-P61 HydrophobicContact CD2-CG 3.75Å; W35-P61 HydrophobicContact CE3-CB 3.89Å; W35-P61 HydrophobicContact CE3-CG 3.53Å; W35-P61 HydrophobicContact CG-CG 4.23Å; W35-P61 HydrophobicContact CH2-CB 3.95Å; W35-P61 HydrophobicContact CH2-CG 4.47Å; W35-P61 HydrophobicContact CZ2-CB 4.04Å; W35-P61 HydrophobicContact CZ3-CB 3.88Å; W35-P61 HydrophobicContact CZ3-CG 3.91Å; P61-H63 PolarHBondContact O-N 3.32Å; P61-D64 PolarHBondContact O-N 3.36Å; P61-T65 WeakPolarHBondContact O-CG2 3.29Å; P61-T65 PolarHBondContact O-N 3.21Å; P61-T65 PolarHBondContact O-OG1 3.22Å
62R82.4Confident71.8Confident39 Ų39111.6 Ų111.615%0.14754%0.544CS..Hα-helixtrans-65.6-18.2175.7-54.1172.2-68.6174.34.8112N26 E29 L31 D60 R66N26-R62 PolarHBondContact O-NH1 2.83Å; E29-R62 WeakPolarHBondContact O-CD 3.47Å; E29-R62 PolarHBondContact O-NH1 3.33Å; L31-R62 HydrophobicContact CD2-CG 4.3Å; D60-R62 PolarHBondContact O-N 2.77Å; D60-R62 WeakPolarHBondContact OD1-CB 3.46Å; D60-R62 WeakPolarHBondContact OD1-CG 3.47Å; D60-R62 IonicContact OD1-CZ 2.69Å; D60-R62 PolarHBondContact OD1-N 2.69Å; D60-R62 IonicContact OD1-NE 3.17Å; D60-R62 PolarHBondContact OD1-NE 3.43Å; D60-R62 IonicContact OD2-CZ 1.77Å; D60-R62 IonicContact OD2-NE 3.54Å; D60-R62 PolarHBondContact OD2-NE 2.86Å; D60-R62 IonicContact OD2-NH2 2.47Å; D60-R62 PolarHBondContact OD2-NH2 2.88Å; R62-R66 PolarHBondContact O-NH1 3.33Å
63H71.1Confident69.4Low97 Ų97111.7 Ų111.745%0.44956%0.558SS.*Hα-helixtrans-95.6-17.9-177.8-76.4-153.9000114D60 P61 R66D60-H63 HydrophobicContact CB-CB 4.18Å; D60-H63 WeakPolarHBondContact O-CA 3.25Å; D60-H63 WeakPolarHBondContact O-CB 3.39Å; D60-H63 PolarHBondContact O-N 3.09Å; P61-H63 PolarHBondContact O-N 3.32Å; H63-R66 PolarHBondContact CD2-NH1 3.36Å; H63-R66 PolarHBondContact CD2-NH2 3.03Å; H63-R66 PolarHBondContact CE1-NH2 3.17Å; H63-R66 PolarHBondContact ND1-NH2 3.46Å; H63-R66 PolarHBondContact NE2-NH1 3.07Å; H63-R66 PolarHBondContact NE2-NH2 2.9Å; H63-R66 WeakPolarHBondContact O-CG 3.38Å; H63-R66 PolarHBondContact O-NE 2.87Å
64D62.8Low67.2Low44 Ų44114.6 Ų114.624%0.23557%0.574CS.*Hα-helixtrans-103.4-28177.4-78.9-42.5000114.2N59 P61 R66 K67N59-D64 WeakPolarHBondContact CB-OD2 3.44Å; N59-D64 PolarHBondContact ND2-OD2 3.31Å; P61-D64 PolarHBondContact O-N 3.36Å; D64-R66 PolarHBondContact O-N 3.38Å; D64-R66 VanDerWaalsContact O-N 3.14Å; D64-K67 WeakPolarHBondContact O-CB 3.26Å; D64-K67 PolarHBondContact O-N 2.95Å; D64-K67 WeakPolarHBondContact OD1-CE 3.39Å; D64-K67 IonicContact OD1-NZ 3.34Å; D64-K67 PolarHBondContact OD1-NZ 3.29Å
65T58Low64.3Low79 Ų79107 Ų10749%0.48557%0.567SS.*G310 helixtrans-54.5-34.1174.548.60000113.2P61 K67 I68P61-T65 WeakPolarHBondContact O-CG2 3.29Å; P61-T65 PolarHBondContact O-N 3.21Å; P61-T65 PolarHBondContact O-OG1 3.22Å; T65-K67 PolarHBondContact O-N 3.35Å; T65-K67 VanDerWaalsContact O-N 3.13Å; T65-I68 PolarHBondContact O-N 3.45Å
66R55.3Low62.3Low159 Ų159109.7 Ų109.760%0.659%0.586SS**G310 helixtrans-701.517661.8-168.9-179-143.46.7115.4R62 H63 D64R62-R66 PolarHBondContact O-NH1 3.33Å; H63-R66 PolarHBondContact CD2-NH1 3.36Å; H63-R66 PolarHBondContact CD2-NH2 3.03Å; H63-R66 PolarHBondContact CE1-NH2 3.17Å; H63-R66 PolarHBondContact ND1-NH2 3.46Å; H63-R66 PolarHBondContact NE2-NH1 3.07Å; H63-R66 PolarHBondContact NE2-NH2 2.9Å; H63-R66 WeakPolarHBondContact O-CG 3.38Å; H63-R66 PolarHBondContact O-NE 2.87Å; D64-R66 PolarHBondContact O-N 3.38Å; D64-R66 VanDerWaalsContact O-N 3.14Å
67K49.8Very low59.6Low157 Ų157110.5 Ų110.568%0.68360%0.595SS**G310 helixtrans-102.2-6.4167.6-57.1171.7-173.9164.10113.2D64 T65D64-K67 WeakPolarHBondContact O-CB 3.26Å; D64-K67 PolarHBondContact O-N 2.95Å; D64-K67 WeakPolarHBondContact OD1-CE 3.39Å; D64-K67 IonicContact OD1-NZ 3.34Å; D64-K67 PolarHBondContact OD1-NZ 3.29Å; T65-K67 PolarHBondContact O-N 3.35Å; T65-K67 VanDerWaalsContact O-N 3.13Å
68I48.1Very low56.8Low135 Ų135113 Ų11369%0.69262%0.621SS**SBendtrans-107.4-4.4-166.8-71167.2000112.3T65 E70T65-I68 PolarHBondContact O-N 3.45Å; I68-E70 PolarHBondContact O-N 2.62Å
69R41.5Very low54.1Low234 Ų234111.4 Ų111.488%0.88363%0.634SS**SBendtrans-89.314-172.4-147.1-165.3169.8161.4-0.3116.2
70E44.1Very low51.4Low194 Ų194112.3 Ų112.391%0.90765%0.653SS**SBendtrans-13038.5-177.4-67.1-162.8145.600115.2I68I68-E70 PolarHBondContact O-N 2.62Å
71V45.9Very low49Very low129 Ų129120.7 Ų120.778%0.78269%0.692SS**SBendtrans-153.590.4157.359.20000113.5
72S43.5Very low46.7Very low127 Ų127125.5 Ų125.589%0.88873%0.726SS**  trans169.8106.2144.8-82.20000113
73A39.9Very low44.2Very low103 Ų103129.1 Ų129.185%0.85176%0.757SS**  trans-160.3119.3152.800000108.3
74N44.6Very low43Very low179 Ų179130.1 Ų130.196%0.95777%0.772SS**  trans-94.2132.9-177.1-80.2-44.3000112
75G33.4Very low42.1Very low70 Ų70134.4 Ų134.472%0.72280%0.8SS**  trans-168.1133.9172.400000110.1
76P46.4Very low41Very low129 Ų129138.4 Ų138.484%0.83881%0.813SS**  trans-96.4141.8-159.435.1-36.1000116.7
77S37Very low40.3Very low117 Ų117135.9 Ų135.982%0.81882%0.817SS**  trans45.5112.3142.2-160.60000121.4
78A31.9Very low39.5Very low102 Ų102135.5 Ų135.584%0.84382%0.822SS**  trans-152.5134.2135.200000109.7
79S38Very low39.1Very low123 Ų123137.7 Ų137.786%0.8683%0.826SS**  trans-87.5142.4-179.1-56.90000112.6
80A33.2Very low39Very low107 Ų107131.6 Ų131.688%0.88482%0.815SS**  trans-142.4115.1160.800000109.4
81E37.8Very low38.4Very low198 Ų198131.2 Ų131.293%0.92581%0.811SS**  trans-101.9116.4-177.1174.5177.563.700110.8
82S34.9Very low38.1Very low113 Ų113130.7 Ų130.779%0.7981%0.808SS**  trans-165.8109156.361.50000113.2
83S31.8Very low38.2Very low115 Ų115133.9 Ų133.980%0.80480%0.8SS**  trans9152.6135.5-158.60000120.8
84P44.8Very low38.3Very low118 Ų118137.1 Ų137.177%0.76680%0.798SS**  cis-127.3179.1-119.45.8000115.2
85V45Very low38.4Very low135 Ų135136.2 Ų136.282%0.81879%0.79SS**PPolyproline II helixtrans-56.6123.8175.3179.70000113.9
86E34.5Very low39.2Very low162 Ų162140.6 Ų140.676%0.75779%0.789SS**PPolyproline II helixtrans-99.6138.1147.5-85.3-154.4113.700109.7
87P40.1Very low40Very low107 Ų107141.9 Ų141.970%0.69578%0.783SS**PPolyproline II helixtrans-71.8131.3177.129-33.5000111.5K89P87-K89 PolarHBondContact O-N 2.87Å; P87-K89 VanDerWaalsContact O-N 3.13Å
88L32.9Very low41.1Very low149 Ų149141.6 Ų141.678%0.7878%0.779SS**PPolyproline II helixtrans-53.3116.2177.1-163171.5000110T90L88-T90 VanDerWaalsContact C-N 3.25Å; L88-T90 HydrophobicContact CD2-CG2 4.28Å; L88-T90 PolarHBondContact O-N 2.86Å
89K40Very low42.8Very low181 Ų181143.8 Ų143.879%0.78778%0.775SS**  trans-68.183.9174.4-74.8169.4-176.7151.70109.7P87 F91P87-K89 PolarHBondContact O-N 2.87Å; P87-K89 VanDerWaalsContact O-N 3.13Å; K89-F91 PolarHBondContact O-N 2.95Å
90T38.5Very low44.3Very low105 Ų105141.9 Ų141.964%0.64476%0.755SS**  trans-56.3111.3168.140.90000108.2L88 V92L88-T90 VanDerWaalsContact C-N 3.25Å; L88-T90 HydrophobicContact CD2-CG2 4.28Å; L88-T90 PolarHBondContact O-N 2.86Å; T90-V92 PolarHBondContact O-N 3.49Å
91F32.6Very low45.9Very low187 Ų187147 Ų14782%0.8275%0.751SS**  trans-70.481.1169-174.8-96.6000107.6K89 R93K89-F91 PolarHBondContact O-N 2.95Å; F91-R93 HydrophobicContact CD1-CB 4.16Å; F91-R93 HydrophobicContact CE1-CB 3.97Å; F91-R93 HydrophobicContact CE1-CG 4.49Å; F91-R93 PolarHBondContact O-N 2.95Å
92V39.8Very low47.3Very low117 Ų117144.3 Ų144.371%0.70975%0.75SS**  trans-68.183.1171.1-177.80000106.8T90 E94T90-V92 PolarHBondContact O-N 3.49Å; V92-E94 PolarHBondContact O-N 3.2Å
93R45.6Very low49.1Very low194 Ų194143 Ų14373%0.73275%0.754SS**  trans-54.4111.9162.3-176.4-179.4-166160.65.5105.9F91 M95F91-R93 HydrophobicContact CD1-CB 4.16Å; F91-R93 HydrophobicContact CE1-CB 3.97Å; F91-R93 HydrophobicContact CE1-CG 4.49Å; F91-R93 PolarHBondContact O-N 2.95Å; R93-M95 WeakPolarHBondContact O-CG 3.18Å; R93-M95 PolarHBondContact O-N 3.39Å
94E42.3Very low51.1Low171 Ų171145.3 Ų145.380%0.79975%0.747SS**  trans-55.5100.7-175.7-170.9-173.8145.300109.5V92 K96V92-E94 PolarHBondContact O-N 3.2Å; E94-K96 PolarHBondContact O-N 2.97Å
95M45.1Very low52.1Low160 Ų160146.3 Ų146.379%0.78874%0.744SS**  trans-7777.3179.3-70.2-165-179.400108R93 H97R93-M95 WeakPolarHBondContact O-CG 3.18Å; R93-M95 PolarHBondContact O-N 3.39Å; M95-H97 VanDerWaalsContact C-N 3.3Å; M95-H97 PolarHBondContact O-N 2.86Å; M95-H97 PolarHBondContact O-ND1 3.35Å
96K51.8Low52.8Low162 Ų162144.3 Ų144.370%0.70473%0.734SS**  trans-57.497.8166.5178.4175.4177.2174.80107.9E94E94-K96 PolarHBondContact O-N 2.97Å
97H61.3Low54Low156 Ų156143.6 Ų143.672%0.72273%0.734SS**  trans-46137.3176.9-64.384.8000110.1M95 I99M95-H97 VanDerWaalsContact C-N 3.3Å; M95-H97 PolarHBondContact O-N 2.86Å; M95-H97 PolarHBondContact O-ND1 3.35Å; H97-I99 PolarHBondContact O-N 2.96Å
98P61.7Low55.3Low112 Ų112142.5 Ų142.573%0.72773%0.727SS**  trans-59.5118.1178.124.9-33.1000108.6L100P98-L100 PolarHBondContact O-N 3.16Å
99I68Low56.5Low147 Ų147140.9 Ų140.975%0.75472%0.723SS**  trans-68.999.7177.7-58.9175.8000106.9H97H97-I99 PolarHBondContact O-N 2.96Å
100L68Low57.2Low84 Ų84141.7 Ų141.744%0.4472%0.723SS.*PPolyproline II helixtrans-60.9147.2177.1-61172.7000109.8P98 Y104P98-L100 PolarHBondContact O-N 3.16Å; L100-Y104 HydrophobicContact CB-CG 4.45Å; L100-Y104 HydrophobicContact CD1-CD1 3.92Å; L100-Y104 HydrophobicContact CD1-CG 4.48Å; L100-Y104 HydrophobicContact CD2-CD1 4.16Å; L100-Y104 HydrophobicContact CD2-CG 4.43Å; L100-Y104 HydrophobicContact CG-CD1 4.49Å
101R66.6Low57.8Low215 Ų215144 Ų14481%0.81173%0.726SS**PPolyproline II helixtrans-66149.4177.6-68.6-172.6179.8-176.71.3110.3G103 Y104R101-G103 PolarHBondContact O-N 2.92Å; R101-Y104 WeakPolarHBondContact O-CB 3.33Å; R101-Y104 PolarHBondContact O-N 3.22Å; R101-Y104 VanDerWaalsContact O-N 3.1Å
102P67.7Low58.8Low140 Ų140143.5 Ų143.591%0.90973%0.732SS**THydrogen-bonded Turntrans-50.2128.9172.1-26.935.1000111.3
103G72.4Confident59.3Low85 Ų85141.7 Ų141.788%0.87674%0.736SS**THydrogen-bonded Turntrans99.1-7.1-17600000115.7R101R101-G103 PolarHBondContact O-N 2.92Å
104Y75.1Confident59.3Low164 Ų164135.3 Ų135.364%0.64373%0.725SS**  trans-83.9135173.1-144.1-83.8000111.6L100 R101L100-Y104 HydrophobicContact CB-CG 4.45Å; L100-Y104 HydrophobicContact CD1-CD1 3.92Å; L100-Y104 HydrophobicContact CD1-CG 4.48Å; L100-Y104 HydrophobicContact CD2-CD1 4.16Å; L100-Y104 HydrophobicContact CD2-CG 4.43Å; L100-Y104 HydrophobicContact CG-CD1 4.49Å; R101-Y104 WeakPolarHBondContact O-CB 3.33Å; R101-Y104 PolarHBondContact O-N 3.22Å; R101-Y104 VanDerWaalsContact O-N 3.1Å
105I64.5Low59.4Low139 Ų139133.9 Ų133.971%0.71372%0.723SS**  trans-107.2126.7174.6-58.3175.6000108I107I105-I107 PolarHBondContact O-N 3.19Å
106P59.9Low59.9Low94 Ų94131.8 Ų131.861%0.6172%0.719SS**PPolyproline II helixtrans-71.2124.5174.729.2-32.9000110.2P108P106-P108 WeakPolarHBondContact O-CD 3.48Å
107I60.7Low59.7Low147 Ų147135 Ų13575%0.75473%0.727SS**PPolyproline II helixtrans-78.3123.6172.3-60.1172.6000108I105 V109I105-I107 PolarHBondContact O-N 3.19Å; I107-V109 PolarHBondContact O-N 3.22Å
108P65.9Low59.1Low83 Ų83135.4 Ų135.454%0.53973%0.729SS.*PPolyproline II helixtrans-66.1120.6174.5-19.332.6000110.7P106 Y110P106-P108 WeakPolarHBondContact O-CD 3.48Å; P108-Y110 HydrophobicContact CB-CD2 4.37Å; P108-Y110 HydrophobicContact CB-CE2 3.72Å; P108-Y110 HydrophobicContact CG-CE2 4.48Å; P108-Y110 PolarHBondContact O-N 2.88Å
109V59.7Low58.4Low115 Ų115135.5 Ų135.570%0.69772%0.72SS**  trans-85.8103.4170.2-179.90000107.8I107I107-V109 PolarHBondContact O-N 3.22Å
110Y55Low57.5Low199 Ų199136.7 Ų136.778%0.7872%0.722SS**  trans-83.4124.6168.6-60.2-77.7000108.9P108P108-Y110 HydrophobicContact CB-CD2 4.37Å; P108-Y110 HydrophobicContact CB-CE2 3.72Å; P108-Y110 HydrophobicContact CG-CE2 4.48Å; P108-Y110 PolarHBondContact O-N 2.88Å
111H50.3Low56.5Low154 Ų154141 Ų14171%0.71374%0.74SS**  trans-85111.5164.1-72.9-76.4000108G113 A114H111-G113 PolarHBondContact O-N 3.05Å; H111-A114 PolarHBondContact O-N 3.47Å
112D53Low55.4Low176 Ų176137.9 Ų137.994%0.94173%0.734SS**THydrogen-bonded Turntrans-60.2128.8174.6-156.4-103.8000109.3
113G49.8Very low54.1Low78 Ų78137.1 Ų137.180%0.80472%0.718SS**THydrogen-bonded Turntrans103.51.4-172.100000116.8H111H111-G113 PolarHBondContact O-N 3.05Å
114A46.6Very low52.5Low61 Ų61138.9 Ų138.950%0.50471%0.714SS.*  trans-91.2123.117100000112.6H111 V116H111-A114 PolarHBondContact O-N 3.47Å; A114-V116 PolarHBondContact O-N 2.88Å
115D44.2Very low50.6Low140 Ų140136.6 Ų136.675%0.74972%0.721SS**  trans-61.996.4179.6-94.4-70.6000113.5R117 Q118D115-R117 PolarHBondContact O-N 2.88Å; D115-Q118 PolarHBondContact O-N 2.9Å; D115-Q118 VanDerWaalsContact O-N 3.08Å
116V56.2Low49.4Very low116 Ų116141.4 Ų141.470%0.70373%0.732SS**Hα-helixtrans-48.4-31.5-179.1174.10000113.4A114 Q118A114-V116 PolarHBondContact O-N 2.88Å; V116-Q118 VanDerWaalsContact C-N 3.26Å; V116-Q118 PolarHBondContact O-N 3.4Å
117R47.6Very low48.1Very low231 Ų231141.7 Ų141.787%0.87274%0.736SS**Hα-helixtrans-68.1-18.1-176-149.5-176.678.5-161.82.7114.4D115D115-R117 PolarHBondContact O-N 2.88Å
118Q48.6Very low46.8Very low163 Ų163144 Ų14476%0.76274%0.737SS**Hα-helixtrans-98.6-30.1-178-135.6174.72800113.4D115 V116D115-Q118 PolarHBondContact O-N 2.9Å; D115-Q118 VanDerWaalsContact O-N 3.08Å; V116-Q118 VanDerWaalsContact C-N 3.26Å; V116-Q118 PolarHBondContact O-N 3.4Å
119Q46.9Very low45.5Very low115 Ų115147.3 Ų147.354%0.53775%0.748SS.*Hα-helixtrans-74.1-27.4-177-166.6168.412.800113.4Q121 Q122 H123Q119-Q121 PolarHBondContact O-N 3.44Å; Q119-Q122 PolarHBondContact O-N 3.14Å; Q119-Q122 VanDerWaalsContact O-N 3.1Å; Q119-H123 PolarHBondContact NE2-NE2 3.1Å
120Q48.3Very low44.3Very low172 Ų172148.9 Ų148.980%0.80475%0.748SS**THydrogen-bonded Turntrans-70.10.4-177-166.1154.563.800114.9
121Q46.8Very low43.5Very low174 Ų174144.9 Ų144.981%0.81375%0.746SS**THydrogen-bonded Turntrans-104.6-2.1171.1-64-168.51300114.5Q119Q119-Q121 PolarHBondContact O-N 3.44Å
122Q44Very low42.8Very low149 Ų149143.5 Ų143.570%0.69675%0.749SS**SBendtrans-112.410.7-173.3-71.5-67.7-14.600114.8Q119Q119-Q122 PolarHBondContact O-N 3.14Å; Q119-Q122 VanDerWaalsContact O-N 3.1Å
123H39.9Very low42.2Very low124 Ų124141.8 Ų141.857%0.57475%0.745SS**  trans-121.598.5178-65.4-43.8000111.3Q119 C125Q119-H123 PolarHBondContact NE2-NE2 3.1Å; H123-C125 PolarHBondContact O-N 2.93Å
124P39.3Very low41.7Very low122 Ų122142.5 Ų142.579%0.79274%0.743SS**  trans-57.6127.3166.6-21.933.5000109.9Y126P124-Y126 PolarHBondContact O-N 2.93Å
125C35.6Very low41Very low116 Ų116148.1 Ų148.178%0.78476%0.759SS**  trans-58.7127.3-172.6-58.60000112.1H123 S127H123-C125 PolarHBondContact O-N 2.93Å; C125-S127 VanDerWaalsContact C-N 3.3Å; C125-S127 PolarHBondContact O-N 3.24Å
126Y39.5Very low40.5Very low240 Ų240147.3 Ų147.394%0.94176%0.764SS**  trans-73.383.8172.8-121.7-84.9000110P124 Y128P124-Y126 PolarHBondContact O-N 2.93Å; Y126-Y128 PolarHBondContact O-N 3.06Å
127S32.3Very low39.5Very low100 Ų100147.6 Ų147.670%0.69977%0.766SS**  trans-63.4115.1176.2-690000110.9C125 I129C125-S127 VanDerWaalsContact C-N 3.3Å; C125-S127 PolarHBondContact O-N 3.24Å; S127-I129 PolarHBondContact O-N 3.48Å; S127-I129 VanDerWaalsContact O-N 3.15Å
128Y33.2Very low38.7Very low197 Ų197148.2 Ų148.277%0.77377%0.768SS**  trans-68108.7178.3-175.3-90.3000110.9Y126 Q130Y126-Y128 PolarHBondContact O-N 3.06Å; Y128-Q130 HydrophobicContact CD1-CG 4.08Å; Y128-Q130 HydrophobicContact CE1-CG 4.12Å; Y128-Q130 PolarHBondContact O-N 3.24Å
129I39.1Very low38.1Very low152 Ų152146.3 Ų146.378%0.77977%0.768SS**  trans-75110.9175-60.9174.5000108.6S127S127-I129 PolarHBondContact O-N 3.48Å; S127-I129 VanDerWaalsContact O-N 3.15Å
130Q33.3Very low37.3Very low148 Ų148149.5 Ų149.569%0.69278%0.783SS**  trans-72.4129.4168.3-65.7-1728.600110.1Y128 V132Y128-Q130 HydrophobicContact CD1-CG 4.08Å; Y128-Q130 HydrophobicContact CE1-CG 4.12Å; Y128-Q130 PolarHBondContact O-N 3.24Å; Q130-V132 PolarHBondContact O-N 2.92Å; Q130-V132 VanDerWaalsContact O-N 3.14Å
131P39Very low36.4Very low114 Ų114145 Ų14574%0.7478%0.783SS**  trans-75101.6172.529.9-32.7000110.3
132V36.1Very low35.6Very low126 Ų126142.3 Ų142.376%0.76478%0.783SS**  trans-72.3125.3172.1-70.60000110.9Q130 A134Q130-V132 PolarHBondContact O-N 2.92Å; Q130-V132 VanDerWaalsContact O-N 3.14Å; V132-A134 PolarHBondContact O-N 3.48Å
133T40.1Very low35.1Very low139 Ų139141 Ų14185%0.85379%0.786SS**  trans-78.486.8-179.350.30000111.6Q135T133-Q135 PolarHBondContact O-N 2.9Å
134A38.5Very low35Very low93 Ų93139.1 Ų139.177%0.76979%0.791SS**  trans-78.993.7170.600000110.9V132V132-A134 PolarHBondContact O-N 3.48Å
135Q33.5Very low35.4Very low180 Ų180138.1 Ų138.184%0.84179%0.785SS**  trans-69133.5159.7-67.1-172.714.600109T133T133-Q135 PolarHBondContact O-N 2.9Å
136S32.6Very low35.4Very low123 Ų123140.9 Ų140.986%0.8679%0.786SS**  trans-125.1118.2167.6-171.60000108.7
137V35.3Very low35Very low122 Ų122134.5 Ų134.574%0.73977%0.772SS**  trans-95.9149.1-175.8-700000111.5
138R30.6Very low35Very low243 Ų243135.4 Ų135.492%0.91778%0.778SS**  trans-137.5119.6154-86.9-166.3171-152.3-2.1109.6
139T36Very low34.9Very low124 Ų124129.1 Ų129.176%0.76177%0.774SS**  166.7123116.9-660000108.8
140E29.8Very low35Very low182 Ų182130.1 Ų130.185%0.8578%0.78SS**  trans17.3120152.6-45.2-49.8100.700119.2
141G30.2Very low35.8Very low78 Ų78127.4 Ų127.480%0.80478%0.775SS**  trans-150.3-4.3-175.200000120.2
142S29Very low35.6Very low116 Ų116130.9 Ų130.981%0.81178%0.781SS**  trans70.1146168.8-132.40000121.4
143T33.6Very low35.6Very low123 Ų123134.9 Ų134.976%0.75578%0.782SS**  trans57.576.3152.6-44.30000121.2
144A37.6Very low35.9Very low84 Ų84134.2 Ų134.269%0.69478%0.781SS**  18.4162.1105.900000121.3
145P48.5Very low35.8Very low100 Ų100138.2 Ų138.265%0.64978%0.781SS**  cis-147.6-168.2-36.442.7-24.9000114.6
146Q35.4Very low36.2Very low174 Ų174135 Ų13581%0.81378%0.778SS**  trans71.4154.8151.7-77.8-176.184.600118.6
147T31.5Very low36.9Very low106 Ų106135 Ų13565%0.6578%0.775SS**  cis-164.2156.4-16-175.30000110.7
148S31.3Very low36.9Very low119 Ų119136.3 Ų136.383%0.83278%0.777SS**  trans55.3147.2164-64.60000120.6
149G31.1Very low37.3Very low66 Ų66132.8 Ų132.868%0.6878%0.776SS**  cis158.6136.2-11.100000114.3
150L42.1Very low37Very low173 Ų173129.7 Ų129.791%0.90677%0.769SS**  trans63.4171.8166.8-56176.7000116.3
151P50.7Low37Very low91 Ų91129.6 Ų129.659%0.59177%0.768SS**  -127.8-173.8-62.137.6-23.7000111.7
152H33.8Very low37.3Very low187 Ų187130.3 Ų130.387%0.86676%0.761SS**  trans154.9156.9132.8-80.7-67.8000113.4
153R35.7Very low37.3Very low209 Ų209131.5 Ų131.579%0.78976%0.758SS**  trans-125.6143.7-173.5166.4176.7175.5152.6-1.9105.7
154P47.1Very low37.4Very low126 Ų126130.5 Ų130.582%0.81876%0.756SS**  -154.1-163.379.841.7-18.9000117.4
155K37.3Very low37Very low177 Ų177134.6 Ų134.677%0.7776%0.761SS**  trans-83.3168.8-172.3-63174.1168.9-176.30113.8
156S40.8Very low36.2Very low113 Ų113135.1 Ų135.179%0.7977%0.765SS**  trans-63.6164.2172-17.80000115.7
157P47.8Very low35.9Very low122 Ų122129.9 Ų129.979%0.79276%0.758SS**  trans-131.5-162.4140.238.9-25.9000113.9
158L36.1Very low36.1Very low150 Ų150135.1 Ų135.179%0.78577%0.772SS**  trans-121.2164.6-157.3-70.276.5000116
159L38.4Very low36.1Very low168 Ų168136.2 Ų136.288%0.8877%0.774SS**  trans75.7147.1139.6-83.9164.4000123.3
160G29.2Very low36.1Very low60 Ų60137 Ų13762%0.61978%0.782SS**  trans100.3158.4166.300000116.2
161H30.7Very low35.6Very low180 Ų180133.5 Ų133.583%0.83378%0.778SS**  cis-167.8154-22.5-132.4-81.8000110.3
162S35.3Very low35.8Very low93 Ų93134.5 Ų134.565%0.6578%0.784SS**  trans38.7121.3149.2-67.20000125.1
163D28.7Very low35.7Very low141 Ų141132.3 Ų132.375%0.75478%0.784SS**  77.4146.9123.6-117.1-69.6000126.4
164S35.6Very low35.9Very low101 Ų101127.9 Ų127.971%0.70679%0.785SS**  trans54.4152.6149.6-76.60000122.5
165E31Very low36.2Very low171 Ų171127.5 Ų127.580%0.79978%0.782SS**  cis-163.2172.3-20.4-154.4-154.760.100110
166C29.8Very low35.9Very low111 Ų111125.1 Ų125.175%0.7578%0.783SS**  trans77.7103.3147.3-149.90000123.2
167G29.7Very low35.6Very low64 Ų64123.8 Ų123.866%0.6677%0.773SS**  99122.710900000121.4
168K35.3Very low34.8Very low216 Ų216126.8 Ų126.894%0.93978%0.777SS**  -172.3160.1124.9-105.7163.1-173.4170.60115.6
169T32.7Very low34.7Very low142 Ų142126.3 Ų126.387%0.87178%0.78SS**  trans-86.2154.2-177.850.50000114.1
170G30Very low34.2Very low83 Ų83124.8 Ų124.886%0.85677%0.773SS**  trans164.5121.6156.900000116.9
171A32.8Very low34.3Very low98 Ų98130.3 Ų130.381%0.8178%0.784SS**  trans-142.4-179.5165.100000107.1
172P54.5Low34.3Very low113 Ų113126.4 Ų126.473%0.73478%0.783SS**  cis-132.7-173.9-2.143.2-26.9000113.8
173V31.7Very low34.1Very low141 Ų141126.4 Ų126.486%0.85579%0.789SS**  178.8158.9122.8-86.10000111.6
174S40.1Very low34.7Very low116 Ų116128.5 Ų128.581%0.81179%0.794SS**  trans-124.6-166.5-178.2-30.20000109.8
175P52.7Low34.7Very low117 Ų117132.3 Ų132.376%0.7680%0.8SS**  cis-124.8-157.31.936.1-12.7000111.7
176T31.9Very low35Very low127 Ų127132.6 Ų132.678%0.77980%0.801SS**  cis-156.6-178.71.2-10.20000105.7
177S33Very low35.3Very low85 Ų85132.9 Ų132.959%0.59480%0.802SS**  cis-157.21535-100.40000108.9
178E31.4Very low35.4Very low185 Ų185134.7 Ų134.786%0.86481%0.811SS**  trans58.5150.5153.3-64.9168121.600118.6
179V34Very low35.4Very low140 Ų140136 Ų13685%0.84881%0.81SS**  cis-137.5-175.14.975.90000110.7
180N27.8Very low35.4Very low137 Ų137134.8 Ų134.873%0.73381%0.807SS**  trans-86.4161.5-158.7-157.712.7000117.4
181M31.6Very low35.7Very low175 Ų175136.7 Ų136.786%0.86281%0.807SS**  trans-33.4147-178.6-65.6172176.800120.2
182A30.6Very low36.1Very low98 Ų98137.4 Ų137.481%0.8181%0.807SS**  -170.4162.7112.500000114.6
183A30.3Very low35.7Very low94 Ų94137.1 Ų137.178%0.77781%0.807SS**  trans71111.816000000121.2
184H42Very low36.7Very low184 Ų184134.2 Ų134.285%0.85281%0.806SS**  trans-76.2127.8159.1-99.8-73.6000111.1
185H36Very low37.3Very low182 Ų182135 Ų13584%0.84380%0.801SS**  trans-143141.9155.1-84.5-77.8000111.7
186Q36.9Very low37.3Very low176 Ų176136.8 Ų136.882%0.82280%0.798SS**PPolyproline II helixtrans-89.8135179.9-72.6-85.9-12.400111
187P36.7Very low37.7Very low117 Ų117136.9 Ų136.976%0.7680%0.801SS**PPolyproline II helixtrans-73145.7162.1-12.628.9000111.3
188A32Very low38.7Very low103 Ų103136.3 Ų136.385%0.85181%0.809SS**PPolyproline II helixtrans-72.9152.9177.500000112.7
189R34Very low39.8Very low244 Ų244136.4 Ų136.492%0.92180%0.803SS**PPolyproline II helixtrans-73.6126.8177.9-70.3-179.4172.3-170.8-3.4111.6
190S34.1Very low41.1Very low116 Ų116136.9 Ų136.981%0.81180%0.799SS**  trans-83.7104.2164.154.80000110.6S192S190-S192 PolarHBondContact O-N 2.68Å
191S36.5Very low42Very low122 Ų122135.9 Ų135.985%0.85380%0.8SS**  trans-83.4101.4170.2-71.10000110.4
192S40.4Very low43.1Very low114 Ų114134.9 Ų134.980%0.79780%0.796SS**  trans-77.3130.9174.443.60000111.7S190 G194S190-S192 PolarHBondContact O-N 2.68Å; S192-G194 PolarHBondContact O-N 2.78Å
193S45.3Very low44.4Very low106 Ų106135.4 Ų135.474%0.74179%0.792SS**  trans-73.6112.5162.641.70000109.1L195S193-L195 PolarHBondContact O-N 3.16Å
194G54.2Low45.5Very low81 Ų81137 Ų13784%0.83579%0.792SS**  trans-7295.6179.500000112S192S192-G194 PolarHBondContact O-N 2.78Å
195L51Low45.7Very low133 Ų133134.9 Ų134.970%0.69679%0.785SS**  trans-116.4144.9169.6-67.6177.6000110.4S193S193-L195 PolarHBondContact O-N 3.16Å
196Q52.5Low46.1Very low153 Ų153134.8 Ų134.872%0.71578%0.784SS**  trans-69.5149.4-176.1-68.1-68.6-8.500111.9G198Q196-G198 PolarHBondContact O-N 2.96Å; Q196-G198 VanDerWaalsContact O-N 3.12Å
197P42Very low46.6Very low129 Ų129135 Ų13584%0.83879%0.786SS**THydrogen-bonded Turntrans-57.1117.1178.5-23.934.1000112.1
198G53.4Low47Very low74 Ų74132.8 Ų132.876%0.76378%0.784SS**THydrogen-bonded Turntrans138.8-20178.800000115Q196Q196-G198 PolarHBondContact O-N 2.96Å; Q196-G198 VanDerWaalsContact O-N 3.12Å
199Y54.6Low47.1Very low186 Ų186132 Ų13273%0.72979%0.786SS**PPolyproline II helixtrans-82.4126.6176.3-78.2-91.8000112.1
200I60.7Low47.3Very low151 Ų151124.7 Ų124.777%0.77479%0.786SS**PPolyproline II helixtrans-95.3118.3170.4-57.7175.4000107.8I202I200-I202 PolarHBondContact O-N 2.82Å
201P46.8Very low47.5Very low115 Ų115123 Ų12375%0.74779%0.787SS**PPolyproline II helixtrans-73.3122.1176.829-32.8000110.6
202I55.7Low47.7Very low154 Ų154126.3 Ų126.379%0.7979%0.789SS**PPolyproline II helixtrans-83.9121.9169.4-58177.3000107.6I200 V204I200-I202 PolarHBondContact O-N 2.82Å; I202-V204 PolarHBondContact O-N 2.82Å
203P57.5Low47.4Very low110 Ų110127.6 Ų127.671%0.71479%0.792SS**PPolyproline II helixtrans-70.5129.2177.428.4-33.2000110.6I205P203-I205 PolarHBondContact O-N 2.94Å
204V53Low47.4Very low127 Ų127128.2 Ų128.277%0.7779%0.794SS**  trans-73105.9170179.40000108.3I202 H206I202-V204 PolarHBondContact O-N 2.82Å; V204-H206 PolarHBondContact O-N 3.26Å
205I47Very low47.4Very low139 Ų139130 Ų13071%0.71379%0.79SS**  trans-67.5109.6169.228.6173.6000109.4P203 E207P203-I205 PolarHBondContact O-N 2.94Å; I205-E207 PolarHBondContact O-N 3.5Å
206H43.3Very low46.5Very low180 Ų180132 Ų13283%0.83380%0.796SS**  trans-79.9101.2157.3-99.559.4000107.8V204 G208V204-H206 PolarHBondContact O-N 3.26Å; H206-G208 PolarHBondContact O-N 3.25Å
207E48.5Very low45.7Very low181 Ų181131.5 Ų131.585%0.84680%0.795SS**  trans-75.585.817645.5-155.877.800111.4I205I205-E207 PolarHBondContact O-N 3.5Å
208G43.7Very low45.4Very low71 Ų71132.5 Ų132.573%0.73279%0.794SS**  trans-149.1117179.500000114H206H206-G208 PolarHBondContact O-N 3.25Å
209G36Very low45.3Very low87 Ų87134 Ų13490%0.89779%0.79SS**  trans84.190.5156.900000117.4
210G37.6Very low44.4Very low89 Ų89130.3 Ų130.392%0.91879%0.792SS**  trans-99.1117.2159.100000111.4
211G37.3Very low43.1Very low80 Ų80129.2 Ų129.283%0.82579%0.791SS**  trans-174.9133.5175.700000112
212Q40.6Very low42.4Very low192 Ų192134 Ų13490%0.89780%0.796SS**  trans-111137.9-172.8-64.6-17287.800113.2
213T35.8Very low41.3Very low141 Ų141130.5 Ų130.587%0.86579%0.79SS**  trans-163.2135.4145.443.40000111.2
214P44.6Very low40.1Very low120 Ų120134.6 Ų134.678%0.77980%0.8SS**  trans-111.3-179.2163.642.5-33.5000111.3
215P54.5Low39.3Very low117 Ų117139.8 Ų139.876%0.7681%0.805SS**  -119.3157.6-68.436.7-24.1000111.9
216H32.2Very low38.7Very low177 Ų177139.7 Ų139.782%0.81981%0.811SS**  trans-136.2158.4169.2-167.4-96.5000112.5
217M34Very low39.1Very low141 Ų141136.6 Ų136.670%0.69581%0.807SS**  trans-83.9155.2-167.1-57.9-6994.800114.3
218N37.1Very low38.3Very low151 Ų151137.5 Ų137.581%0.80780%0.804SS**  trans-106172.7158.4-103.6-69.9000108
219P51.3Low38Very low106 Ų106137.8 Ų137.869%0.68880%0.8SS**  cis-141.7173.520.543.6-25.8000118
220S35.7Very low37.6Very low108 Ų108140.3 Ų140.376%0.75579%0.788SS**  trans53.2142.1142.2-64.70000123.1
221V33.5Very low37.4Very low127 Ų127144.2 Ų144.277%0.7778%0.782SS**  -174.5126.4123.3138.40000112.4
222Y32.6Very low37.4Very low217 Ų217149.3 Ų149.385%0.85178%0.784SS**  trans55.2170.5158.5-79.8-121.6000120.4
223A31.5Very low38.1Very low80 Ų80145 Ų14566%0.66177%0.773SS**  167.4131.4-60.300000110.6
224Q31.9Very low39.3Very low196 Ų196142.2 Ų142.292%0.91676%0.757SS**  trans-159.5149.8152.2-151.5127.744.600113
225R37.1Very low38.8Very low235 Ų235144.5 Ų144.589%0.88776%0.755SS**  trans-122.2149.8165.1-66179.2-179.3167.9-2.5109.1
226V34.5Very low37.9Very low138 Ų138146.1 Ų146.184%0.83675%0.752SS**  trans-146144.4143-173.60000108.4
227P51.5Low38.1Very low115 Ų115145.1 Ų145.175%0.74775%0.748SS**  trans-123.5-164.8-173.144.5-32.4000115.6
228Y32.1Very low37.9Very low200 Ų200150.2 Ų150.278%0.78476%0.759SS**  trans83.1117175.5-114.7-121000115
229A35.9Very low38Very low77 Ų77149.6 Ų149.664%0.63676%0.755SS**  79.5149.164.600000112.8
230E27.8Very low36.9Very low139 Ų139152.6 Ų152.665%0.6576%0.76SS**  cis-151.5-165.221.6-153.8179.999.900112.4
231H34.5Very low36.6Very low172 Ų172152.1 Ų152.180%0.79675%0.753SS**  trans98.2107.2163.1-47.7-42.4000120.1
232Q36.5Very low36.4Very low187 Ų187154.5 Ų154.587%0.87476%0.755SS**  trans-149.6-179.2157-123.6-14816.400105.7
233P54.8Low36.4Very low102 Ų102151.3 Ų151.366%0.66275%0.753SS**  cis-129.5-137.77.138.1-13.8000109.2
234P61.5Low36.7Very low81 Ų81158.6 Ų158.653%0.52676%0.764SS.*  cis-136.4-171.5-1725.60.6000116.3
235F34.8Very low37.3Very low168 Ų168155 Ų15574%0.73776%0.758SS**  trans87.4129.1162.6-45.2-50.2000117.5
236H34.6Very low37.1Very low152 Ų152147 Ų14770%0.70475%0.748SS**  cis-154.3171.6-10.9-112.9-43.9000112.1
237H37.9Very low37.1Very low156 Ų156151.8 Ų151.872%0.72275%0.753SS**  trans-64.6156.2-163-48.3-86.3000118.9
238R28.9Very low36.8Very low247 Ų247152.4 Ų152.493%0.93276%0.757SS**  -146.9162112.2-149169.5-172.5170.93.2111.7
239L39.3Very low36.9Very low138 Ų138147.3 Ų147.372%0.72376%0.756SS**  trans-126.8156.1-174.1-83.9165.1000112.2
240Q28.2Very low36.9Very low169 Ų169148.4 Ų148.479%0.7977%0.765SS**  trans78.1138.2141.3-99.2178.8-47.900123.8
241T29.7Very low37.4Very low98 Ų98148.5 Ų148.560%0.60178%0.775SS**  trans90.1111.5134.3-65.90000120.5
242E29.3Very low37.6Very low177 Ų177148.2 Ų148.283%0.82777%0.774SS**  36.3153.4129-53.7169.490.200124
243D31.9Very low38.2Very low150 Ų150144.4 Ų144.480%0.80277%0.766SS**  trans94144.8147.5-151.8-149000120.1
244W38Very low37.7Very low233 Ų233146 Ų14688%0.88378%0.776SS**  trans-97.7133.2-179.3-7790.3000111.6
245P44.3Very low36.4Very low122 Ų122154 Ų15479%0.79280%0.795SS**  trans-130.1161.6132.219.7-0.6000110.8
246G32.5Very low36.6Very low67 Ų67155.4 Ų155.469%0.69180%0.804SS**  cis153.8143.74.600000108.4
247Y35.6Very low36.8Very low238 Ų238160 Ų16093%0.93382%0.815SS**PPolyproline II helixtrans-62.6139.8-175.3-87.4-99.2000112.5A249Y247-A249 PolarHBondContact O-N 3.43Å
248P44.5Very low36.5Very low127 Ų127157.2 Ų157.283%0.82582%0.82SS**PPolyproline II helixtrans-72.5124.6176.529.3-33.7000111.3
249A33.9Very low36.9Very low93 Ų93151 Ų15177%0.76981%0.814SS**PPolyproline II helixtrans-87.9140.4172.200000111.3Y247Y247-A249 PolarHBondContact O-N 3.43Å
250A35.4Very low37.5Very low101 Ų101150.1 Ų150.184%0.83582%0.817SS**PPolyproline II helixtrans-72.5136.3-179.900000112.5
251V38.9Very low37.8Very low141 Ų141148.8 Ų148.886%0.85582%0.82SS**PPolyproline II helixtrans-91138.1178.3-179.90000110.6
252Q38.1Very low37.9Very low166 Ų166148.7 Ų148.778%0.77683%0.829SS**  trans-120138.4174.1-77.3-77.7-19.700110.1
253P49.6Very low38.3Very low107 Ų107149.9 Ų149.970%0.69583%0.832SS**  trans-75.4160.8174.931.4-34.1000112.6
254P44.9Very low39.3Very low135 Ų135147.5 Ų147.588%0.87783%0.825SS**  trans-79.9163.2-167.432.4-37000114.5
255R35Very low39.3Very low248 Ų248144.3 Ų144.394%0.93682%0.82SS**  trans-120.8119.2-176.4-166.9177.2-167.7160.34.5111.2
256E37.5Very low38.8Very low198 Ų198144.8 Ų144.893%0.92581%0.811SS**  trans-76.9171.2178-66.3-159.4112.200113.7
257R39Very low39Very low248 Ų248150.8 Ų150.894%0.93681%0.813SS**  trans-129.5116.3-169.1172.8-163.7-73.1165.2-4.2111.8
258A32.7Very low38.9Very low98 Ų98145.8 Ų145.881%0.8180%0.802SS**  trans-159.8149.6151.700000111.7
259S36.7Very low38.6Very low118 Ų118143.7 Ų143.783%0.82580%0.796SS**  trans-132.3157.9165-50.90000107.3
260P52.8Low38.7Very low118 Ų118146.6 Ų146.677%0.76680%0.804SS**  -154.3154.393.638-19000118.2
261T33.4Very low38.6Very low142 Ų142146.6 Ų146.687%0.87180%0.804SS**  trans46.5117.9136-51.10000122.9
262A32.3Very low38.2Very low95 Ų95144.7 Ų144.779%0.78580%0.803SS**  -161152129.900000112.7
263F36.3Very low38Very low203 Ų203145.4 Ų145.489%0.8981%0.806SS**  trans-136.7160.6173.3-108.3-61.4000106.7
264P53.5Low37.5Very low100 Ų100147.5 Ų147.565%0.64981%0.81SS**  -154.9169.962.141.7-20.8000118.7
265Q38.8Very low37.7Very low166 Ų166146.4 Ų146.478%0.77680%0.804SS**  trans42.4158.2141.5-62174.2-90.900121.6
266H33.1Very low38.8Very low131 Ų131140 Ų14061%0.60679%0.794SS**  cis-161.7143.415.8-157.9-149.4000112.4
267R37.9Very low38.6Very low194 Ų194138.1 Ų138.173%0.73279%0.785SS**  trans55167.2150.8-81.1-177.5-173.4-144.34.1119.8
268D32.8Very low38.6Very low132 Ų132131.6 Ų131.671%0.70677%0.772SS**  cis-138.2176.1-2.1-130.3-27.2000111
269A37.4Very low38.6Very low84 Ų84138.5 Ų138.569%0.69478%0.778SS**  trans-118.5155.1-177.700000114.4
270T36.8Very low38.8Very low154 Ų154137.7 Ų137.795%0.94577%0.772SS**  trans-161.1158.4157.3-2.60000110.8
271A32.4Very low38Very low101 Ų101141 Ų14184%0.83578%0.776SS**  trans-152.4155.5-168.500000114.1
272A32.2Very low38.1Very low100 Ų100139.3 Ų139.383%0.82677%0.771SS**  trans-169.5159.5157.600000109
273H33.4Very low39Very low181 Ų181140.4 Ų140.484%0.83877%0.77SS**  cis-176153.1-36.7-156-84.7000104.3
274L37.9Very low38.9Very low151 Ų151137.2 Ų137.279%0.79177%0.767SS**  trans-112.4-165-179.8-61.6169.5000110.7
275P49.3Very low38.1Very low113 Ų113141.2 Ų141.273%0.73477%0.774SS**  -119.8-140.1-94.941.3-22.2000110.5
276P58.3Low38.2Very low112 Ų112141.6 Ų141.673%0.72778%0.779SS**  cis-136.8-160.4-18.232.2-7.2000114.8
277H33.7Very low38.3Very low160 Ų160143.1 Ų143.174%0.74179%0.787SS**  113.797.4129.5-143.7-99.8000122.8
278V38.4Very low38.2Very low111 Ų111140.2 Ų140.267%0.67379%0.79SS**  trans48122.7132.2-169.50000122.1
279R33.3Very low38.3Very low243 Ų243142.3 Ų142.392%0.91780%0.798SS**  -171.6163.6116.2-102.4-178.7-171.2-172.42.7114.7
280S41.3Very low38.1Very low100 Ų100141.4 Ų141.470%0.69980%0.797SS**  trans-107.6157.5-171.754.60000113.7
281H35.7Very low37.8Very low187 Ų187142.6 Ų142.687%0.86679%0.792SS**  trans-165.2146.7145.9-102.4-67.5000114.2
282S34.3Very low37.9Very low108 Ų108148.1 Ų148.176%0.75579%0.791SS**  trans-133.1158.7154.5-45.60000106.3
283P52.8Low37.9Very low118 Ų118147.5 Ų147.577%0.76679%0.786SS**  -157-175.179.137.2-14.5000115.8
284V34.5Very low37.8Very low136 Ų136148.4 Ų148.482%0.82479%0.791SS**  161152.6126.4160.60000110.7
285K35Very low37.7Very low183 Ų183145.2 Ų145.280%0.79679%0.786SS**  trans-112.4154.3-174.2-45.4172.6-176.61780111.9
286I40.8Very low37.6Very low175 Ų175145.5 Ų145.590%0.89779%0.788SS**  trans-133.7150.5144.8-63.9-174.2000108.2
287Q35Very low36.5Very low162 Ų162147.3 Ų147.376%0.75779%0.787SS**  trans-145.5167.3-176.6176.4173.1-8.300109.2
288V37.3Very low36.4Very low134 Ų134148.5 Ų148.581%0.81279%0.785SS**  trans113.3137.6174.1172.30000111.5
289M34Very low36Very low175 Ų175150.3 Ų150.386%0.86280%0.796SS**  cis151.1141-27.6172.2173.7177.900108.6
290G33Very low36.2Very low66 Ų66145.5 Ų145.568%0.6879%0.787SS**  trans86.7164.6174.100000115.7
291E31.4Very low35.6Very low178 Ų178146.2 Ų146.283%0.83279%0.793SS**  cis-161.4141.7-30.9-137.3-164.4115.500111.9
292R33.7Very low35.5Very low217 Ų217147.5 Ų147.582%0.81979%0.79SS**  trans28.3102145.5-166.8176.3178.5110.10.4121.9
293A33Very low35.1Very low88 Ų88149.5 Ų149.573%0.72779%0.787SS**  trans40.4130131.500000123.7
294Q31.6Very low33.9Very low200 Ų200151 Ų15194%0.93579%0.786SS**  -172.1168.7113.3-103.2-17444.200112.9
295A35.3Very low34.3Very low84 Ų84150.8 Ų150.869%0.69479%0.787SS**  trans-113.8165.117000000110
296P47.5Very low34Very low118 Ų118150.1 Ų150.177%0.76679%0.787SS**  -158.8162.210239-19.4000119.7
297Q35.1Very low33.2Very low151 Ų151153 Ų15371%0.70679%0.786SS**  trans73.3121.3143-77.8-162.924.500126
298R31.3Very low32.9Very low185 Ų185151 Ų15170%0.69879%0.786SS**  63126.6128.7-62.2-177.2-162.3-115.21.8123.5
299V30.8Very low32.5Very low149 Ų149153.3 Ų153.390%0.90379%0.788SS**  -137.8164.4122.7-179.30000108.3
300L37.1Very low32.2Very low141 Ų141153.6 Ų153.674%0.73879%0.787SS**  trans-130.9146.3-173.7-74.9164000113.6
301S28.7Very low32Very low116 Ų116158.3 Ų158.381%0.81179%0.791SS**  trans167.1136.9140.2-72.60000109.1
302R32.5Very low32Very low213 Ų213157.2 Ų157.280%0.80479%0.786SS**  62.6130.759.3-116.4-174.3100.6152.50.5111.3
303E26.2Very low31.8Very low150 Ų150154.3 Ų154.370%0.70178%0.781SS**  cis-146.5179.930.5-55.5-16497.300115.7
304M27.8Very low31.4Very low151 Ų151157.5 Ų157.574%0.74479%0.785SS**  trans-115.8161.5163.4-82.4-176.966.200110.2Q306M304-Q306 HydrophobicContact CE-CG 3.88Å
305P43.2Very low31.3Very low131 Ų131154.1 Ų154.185%0.85178%0.778SS**  -140.2179.1118.937-23.9000115.1
306Q28Very low31Very low168 Ų168157.8 Ų157.879%0.78578%0.78SS**  trans-120.6161.6-176.4-52.4164.9-7700112M304M304-Q306 HydrophobicContact CE-CG 3.88Å
307R25.8Very low30.1Very low235 Ų235161.5 Ų161.589%0.88779%0.787SS**  trans165.1123.7145.2-92176.7-178.4-143.6-2.1108.5
308T27.7Very low29.7Very low122 Ų122162.6 Ų162.675%0.74879%0.79SS**  62.4107.172.464.80000117.1
309E29.1Very low30.3Very low182 Ų182159 Ų15985%0.8579%0.791SS**  trans-167.9120.3134.5-141.9142.986.100105.5
310Q26.9Very low30Very low180 Ų180159.8 Ų159.884%0.84178%0.784SS**  79.5134.766.2-159.5165.610.800114.6
311E29.6Very low29.4Very low165 Ų165157.9 Ų157.977%0.77178%0.783SS**  trans-104.7149.6-169.1177-175.810000112.2
312H31.2Very low29.5Very low156 Ų156157.9 Ų157.972%0.72278%0.778SS**  trans156.9152.2156.8-79.2139.3000108.6
313Q28.8Very low29.9Very low155 Ų155153.5 Ų153.572%0.72478%0.777SS**  cis-170.9-178-23.2-162.2178.588.500106.8
314I26.5Very low30.1Very low155 Ų155151.9 Ų151.980%0.79578%0.777SS**  trans77.6135.7164.3-59.1162.5000114.6
315V27.6Very low30.8Very low130 Ų130150 Ų15079%0.78878%0.776SS**  cis-139.4179.2686.40000113.4
316Q28.8Very low30.1Very low161 Ų161152 Ų15275%0.75277%0.774SS**  trans-86.4156-171.8-48.9161.716.400115.8
317Q29.6Very low30.1Very low196 Ų196151.9 Ų151.992%0.91678%0.776SS**  -172.8154.9115-102.1159.4101.200114.5
318K26.3Very low30.3Very low174 Ų174146.8 Ų146.876%0.75777%0.765SS**  trans-154.1136.1179.9162174.2177.6-177.80107.6
319P44.8Very low30.5Very low110 Ų110148.4 Ų148.471%0.71476%0.764SS**  -142.1-179.996.642.1-24.8000112.4
320E23.6Very low30.6Very low165 Ų165144.8 Ų144.877%0.77176%0.755SS**  cis-154.3147.816.5-164.5157.590.800113.5
321S24.5Very low30.7Very low101 Ų101145 Ų14571%0.70676%0.755SS**  trans177.2132.9150.2220000111.3
322T30.5Very low30.9Very low116 Ų116141.2 Ų141.271%0.71275%0.753SS**  trans-160.1152.7174.9-4.70000108.4V324T322-V324 HydrophobicContact CG2-CG2 3.87Å
323P41.3Very low30.9Very low121 Ų121140.8 Ų140.879%0.78676%0.756SS**  -122.6159.273.34.719.4000113.1
324V31Very low31.3Very low116 Ų116139.3 Ų139.370%0.70376%0.757SS**  cis77.1142.638173.10000112.4T322T322-V324 HydrophobicContact CG2-CG2 3.87Å
325P43.2Very low32.2Very low111 Ų111137.1 Ų137.172%0.72175%0.753SS**  cis-112-162.1-0.644.9-35.2000112.6
326Q27.5Very low32.1Very low172 Ų172140.8 Ų140.880%0.80476%0.758SS**  cis-140.7161.5-2.9-78.3-171.613.400109.6
327M27.7Very low32.3Very low167 Ų167137.9 Ų137.982%0.82376%0.756SS**  157.5159.3124-83.2-141.272.600113.4
328L30.6Very low32.7Very low128 Ų128134.6 Ų134.667%0.6775%0.751SS**  trans-146.5161.5174-74.3165.7000106.8
329H31.6Very low33Very low156 Ų156135.3 Ų135.372%0.72276%0.757SS**  cis-133.8158.917.9-72.6-90.1000110
330T31.6Very low33Very low106 Ų106135.1 Ų135.165%0.6576%0.756SS**  50.2123.991-34.20000113.3
331E29.3Very low33.4Very low183 Ų183135.8 Ų135.886%0.85576%0.759SS**  cis-147.8-158.511.6-146.1159.169.600114.2
332A33.7Very low34.3Very low87 Ų87135.9 Ų135.972%0.71976%0.757SS**  trans-70.9179.9-176.700000113.6
333D30.6Very low34.2Very low147 Ų147137 Ų13779%0.78676%0.758SS**  cis-15516932.4-174.7-126.5000114.5
334V36.8Very low33.8Very low123 Ų123139.7 Ų139.775%0.74576%0.76SS**  trans-146.8129.2-170.9155.20000108.4
335P45.3Very low33.9Very low109 Ų109143 Ų14371%0.70877%0.768SS**  -154.9170.664.641.3-21.8000118.1
336K26.8Very low33.9Very low208 Ų208142.6 Ų142.690%0.90477%0.766SS**  175.1152.4107-151.9143.1-174.6169.80112.4
337S31.4Very low34Very low100 Ų100142.2 Ų142.270%0.69976%0.764SS**  trans-130154.4171.6-177.40000110
338P39.6Very low34.2Very low126 Ų126141.5 Ų141.582%0.81876%0.76SS**  -143.1-170.4109.738.4-22.4000115.4
339Q32.2Very low34.3Very low189 Ų189144.3 Ų144.388%0.88377%0.77SS**  trans-74.4171.3-165.9-89.4176.9-101.800118.1
340P44.7Very low34.4Very low107 Ų107145.1 Ų145.170%0.69577%0.773SS**  trans-107.4-172-166.442.6-37.7000116.6
341Q31.4Very low34.2Very low179 Ų179149.2 Ų149.284%0.83679%0.785SS**  trans86.3157.1165.6-72.8-169.112.500118.5
342P44.3Very low34.2Very low102 Ų102145 Ų14566%0.66278%0.782SS**  cis-139.2-169-14.431.2-7.6000116.3
343L28.5Very low34Very low140 Ų140146.5 Ų146.573%0.73379%0.787SS**  trans94127.7149.8-70.6159.2000123.8
344Q31.8Very low35Very low178 Ų178145 Ų14583%0.83279%0.785SS**  trans91.3135.1133.4-82.4166.8-12.400125.8
345Q32.9Very low34.8Very low184 Ų184148.2 Ų148.286%0.8679%0.792SS**  trans-80.3170.8161.6-77.3-178.50.100110.3
346P43.1Very low34.3Very low104 Ų104146.6 Ų146.668%0.67579%0.788SS**  cis-160.5175.647.944.8-21.1000122.2
347Q29.7Very low34.5Very low163 Ų163146.3 Ų146.376%0.76279%0.79SS**  trans52.7116.4142.4-74.3176-92.600125.6
348M33.2Very low34.4Very low153 Ų153150.2 Ų150.275%0.75479%0.794SS**  45.1102.5115.1-64.4-69.8-68.300122.3
349H31.3Very low34.5Very low186 Ų186149.9 Ų149.986%0.86179%0.792SS**  trans-144173.4157.2-66.8-77.3000112.1
350H34.3Very low34.5Very low173 Ų173148.3 Ų148.380%0.80179%0.785SS**  trans-116.5166.3-157-64.477.6000116.8
351E27Very low34.4Very low192 Ų192148.2 Ų148.290%0.89778%0.784SS**  trans80117.2138.4-167.4154.79000122.4
352A29.5Very low35.4Very low95 Ų95144.8 Ų144.879%0.78578%0.778SS**  trans-170.3153.2137.900000113.6
353S30.5Very low35.9Very low119 Ų119144.5 Ų144.583%0.83278%0.776SS**  trans-159.7174.5169.5-86.40000107.3
354P51.8Low36Very low114 Ų114145.7 Ų145.774%0.7478%0.777SS**  cis-140.2-177.314.344.1-26.1000116.6
355Q30.7Very low36Very low191 Ų191145.6 Ų145.689%0.89378%0.776SS**  trans148.6147.3144.5-85.4-170.5-112.900111.1
356A35Very low36.3Very low76 Ų76145.8 Ų145.863%0.62878%0.78SS**  cis-166.7162.3-2300000112.1
357Q32.3Very low35.8Very low202 Ų202146.2 Ų146.294%0.94479%0.785SS**  trans83.7147157-70.3175.5-9.500122.8
358K29.5Very low35.8Very low181 Ų181145.2 Ų145.279%0.78779%0.785SS**  trans-103-178.7178.8-120.7-166.9120.6179.50109
359P40.9Very low35.9Very low120 Ų120146.4 Ų146.478%0.77979%0.793SS**  cis-143.2-172.329.240.9-18.2000118.2
360E31.3Very low36Very low155 Ų155142.4 Ų142.472%0.72478%0.781SS**  trans-133.5171.1174.8-131.7-160.398.200105.6
361P43.5Very low36.2Very low106 Ų106140.8 Ų140.869%0.68878%0.783SS**  cis-139.8-125.918.732-2.1000115.8
362P52Low36.4Very low107 Ų107138.9 Ų138.970%0.69577%0.774SS**  -133.5-145.9-116.945.2-23.4000114.2
363P55.3Low36.8Very low95 Ų95141.4 Ų141.462%0.61777%0.773SS**  -124.3-162.2-51.926.6-3.8000113.9
364H29.8Very low37.5Very low166 Ų166141 Ų14177%0.76977%0.767SS**  trans93119.6162.2-55.8-77.1000119.6
365H33Very low37.2Very low176 Ų176141.4 Ų141.482%0.81577%0.77SS**  -174.6160.793.157.2-78.4000112.5
366M38.6Very low37.6Very low188 Ų188139.3 Ų139.393%0.92676%0.761SS**  trans-145.2119.8165.7-75.3179.372.800108.3
367S32.3Very low37.7Very low113 Ų113141.7 Ų141.779%0.7977%0.769SS**  trans-174.8160.4159.742.50000113.1
368D29.9Very low37.7Very low141 Ų141140 Ų14075%0.75476%0.762SS**  trans-53.4164.4-173.4-60.1-118.2000119
369I35.3Very low37.9Very low179 Ų179135.1 Ų135.192%0.91876%0.755SS**  -142.5147.2129.5-123.7170.1000112
370T34.5Very low37.4Very low102 Ų102137.1 Ų137.163%0.62675%0.754SS**  trans-116.7130.4-158.9-50.90000114.3
371V36.9Very low37.3Very low139 Ų139137.5 Ų137.584%0.84276%0.756SS**  trans-151.6117.3149.1-172.80000106
372Q31.4Very low37.1Very low152 Ų152136.7 Ų136.771%0.7176%0.758SS**  cis99.894.635.9-166.9177109.600113.9
373I38.6Very low36.9Very low148 Ų148137.5 Ų137.576%0.75976%0.763SS**  trans75.7129.4151.1-64.7170000119.1
374P45.1Very low36Very low109 Ų109137.4 Ų137.471%0.70877%0.77SS**  trans-91.1-178.3171.140.3-37.3000112.6
375P44.8Very low36.3Very low124 Ų124136.6 Ų136.681%0.80577%0.772SS**  -140.1155100.639-28.3000115.5
376Q38.7Very low36.7Very low147 Ų147134 Ų13469%0.68777%0.768SS**  trans-75.8151.2163.7-177-170.7-7.600110
377P38.2Very low37Very low125 Ų125130.4 Ų130.481%0.81276%0.758SS**  trans-111.7128.114133-29.3000110.6
378E32.6Very low37.2Very low167 Ų167129.6 Ų129.678%0.7876%0.759SS**  trans-91.7125.3177.4177.4179.4105.400109.7
379A32.3Very low37.5Very low78 Ų78127.5 Ų127.565%0.64576%0.761SS**  trans-174.1134.1155.900000114.3
380Q30.5Very low37.5Very low162 Ų162127.7 Ų127.776%0.75776%0.758SS**  trans73.4132.4138.7-71.2169.9-105.400123.7
381E30.2Very low37.6Very low164 Ų164129.4 Ų129.477%0.76677%0.768SS**  trans66.5112.6141-75.1162.589.700122
382A38.5Very low37.9Very low89 Ų89131.4 Ų131.474%0.73677%0.769SS**  trans-70.6164.6142.700000109.8
383P47.4Very low38.3Very low123 Ų123128.5 Ų128.580%0.79977%0.771SS**  cis-142-167.822.743.3-24.1000116.3
384A36.4Very low38.1Very low93 Ų93128.3 Ų128.377%0.76977%0.771SS**  trans101.9144.7150.200000120
385D36.5Very low38.2Very low150 Ų150128.2 Ų128.280%0.80277%0.77SS**  trans72.8161165.6-113-79.5000122.4
386V42.2Very low38.2Very low120 Ų120127.9 Ų127.973%0.72777%0.766SS**  trans-122.5179-160.7-70.10000109.4
387P45.1Very low38.6Very low113 Ų113127.3 Ų127.373%0.73477%0.767SS**  cis-143.2-179.513.144.6-25000118.3
388A36.5Very low39Very low96 Ų96130 Ų13079%0.79377%0.766SS**  trans48.5108144.700000120.5
389A36.2Very low39.5Very low98 Ų98126.3 Ų126.381%0.8176%0.757SS**  trans-137129142.400000109.3
390Q34Very low40.9Very low183 Ų183128.8 Ų128.886%0.85577%0.767SS**  trans-92.4121.4175.8-66.1165.9-90.800109.3
391T38.4Very low43.1Very low137 Ų137125 Ų12584%0.8475%0.754SS**  trans-100.185.1167.8-540000109.4A393T391-A393 PolarHBondContact O-N 3.31Å
392E42Very low45.8Very low182 Ų182118.8 Ų118.885%0.8573%0.725SS**  trans-78.5109.7161.3-71.6-161.2127.500109.7
393A39.1Very low48.2Very low91 Ų91118.2 Ų118.275%0.75271%0.714SS**  trans-171.59315700000111.7T391T391-A393 PolarHBondContact O-N 3.31Å
394D35.8Very low50.3Low144 Ų144112.5 Ų112.577%0.7768%0.678SS**  -171.5138.9112.1-152.542.8000108.7
395P47.5Very low53.1Low106 Ų106109.8 Ų109.869%0.68865%0.65SS**  trans-77.1151.6-169.231-33.3000112.4I397P395-I397 PolarHBondContact O-N 3.25Å
396T43.5Very low55.8Low117 Ų117104.4 Ų104.472%0.71863%0.626SS**  trans-56.399.6-171.3-42.40000113.5K398T396-K398 VanDerWaalsContact C-N 3.26Å; T396-K398 HydrophobicContact CG2-CG 3.69Å; T396-K398 PolarHBondContact O-N 2.96Å
397I46.7Very low58.4Low136 Ų136104 Ų10470%0.69762%0.615SS**  trans-63.595.4155.4-57.2-178.9000106.5P395 C399P395-I397 PolarHBondContact O-N 3.25Å; I397-C399 PolarHBondContact O-N 2.94Å
398K47.5Very low60.8Low182 Ų18298.6 Ų98.679%0.79158%0.58SS**  trans-7273.8169.5-68.7-176-179.6177.50108.4T396 P400T396-K398 VanDerWaalsContact C-N 3.26Å; T396-K398 HydrophobicContact CG2-CG 3.69Å; T396-K398 PolarHBondContact O-N 2.96Å; K398-P400 WeakPolarHBondContact O-CD 3.3Å; K398-P400 VanDerWaalsContact O-N 3.17Å
399C42.3Very low63.7Low88 Ų8899 Ų9960%0.59557%0.565SS**  trans-44.5121.7167.4-67.40000108I397 V401I397-C399 PolarHBondContact O-N 2.94Å; C399-V401 PolarHBondContact O-N 2.68Å
400P62.9Low66.6Low131 Ų13199.9 Ų99.985%0.85155%0.552SS**  trans-58.1102.5-176.1-28.536.6000110.8K398 H402K398-P400 WeakPolarHBondContact O-CD 3.3Å; K398-P400 VanDerWaalsContact O-N 3.17Å; P400-H402 PolarHBondContact O-N 2.66Å
401V76.6Confident69.7Low82 Ų8291.4 Ų91.450%0.49751%0.513SS..  trans-66.2112.2-177.5-176.20000107.3C399 L405 A406C399-V401 PolarHBondContact O-N 2.68Å; V401-L405 HydrophobicContact CG1-CB 4.24Å; V401-L405 HydrophobicContact CG1-CD2 4.33Å; V401-L405 HydrophobicContact CG1-CG 4.35Å; V401-A406 HydrophobicContact CG1-CB 4Å
402H85.8Confident72.5Confident33 Ų3386.9 Ų86.915%0.15348%0.483CS..  trans-53.7139.3-177.8176.3-96.8000111.2P400 G404 L405 A406 E454 R456P400-H402 PolarHBondContact O-N 2.66Å; H402-G404 PolarHBondContact ND1-N 2.93Å; H402-G404 VanDerWaalsContact ND1-N 3.15Å; H402-G404 PolarHBondContact O-N 3.02Å; H402-G404 VanDerWaalsContact O-N 3.14Å; H402-L405 HydrophobicContact CB-CB 4.37Å; H402-L405 PolarHBondContact O-N 3.35Å; H402-A406 PolarHBondContact O-N 2.85Å; H402-E454 IonicContact CD2-OE2 2.69Å; H402-E454 VanDerWaalsContact CE1-CG 3.45Å; H402-E454 WeakPolarHBondContact CE1-CG 3.2Å; H402-E454 IonicContact CE1-OE1 3.17Å; H402-E454 PolarHBondContact CE1-OE1 2.86Å; H402-E454 IonicContact CE1-OE2 2.66Å; H402-E454 WeakPolarHBondContact NE2-CG 3.34Å; H402-E454 IonicContact NE2-OE1 3.73Å; H402-E454 PolarHBondContact NE2-OE1 3.38Å; H402-E454 CovalentContact NE2-OE2 1.77Å; H402-E454 IonicContact NE2-OE2 2.68Å; H402-E454 PolarHBondContact NE2-OE2 2.9Å; H402-R456 PolarHBondContact CD2-NE 2.98Å; H402-R456 PolarHBondContact ND1-NE 3.38Å; H402-R456 PolarHBondContact ND1-NH2 3.32Å
403P89.6Confident75.1Confident78 Ų7883.4 Ų83.451%0.50647%0.467SS..Hα-helixtrans-55.8-35.5-174.120.1-34.2000113.7K407P403-K407 WeakPolarHBondContact O-CB 3.43Å; P403-K407 VanDerWaalsContact O-CG 3.26Å; P403-K407 WeakPolarHBondContact O-CG 3.41Å; P403-K407 PolarHBondContact O-N 3.08Å
404G92.3Very high78Confident3 Ų383.3 Ų83.33%0.03145%0.447CS..Hα-helixtrans-65.3-43.3173.900000112.8H402 K407 V408 V451H402-G404 PolarHBondContact ND1-N 2.93Å; H402-G404 VanDerWaalsContact ND1-N 3.15Å; H402-G404 PolarHBondContact O-N 3.02Å; H402-G404 VanDerWaalsContact O-N 3.14Å; G404-K407 PolarHBondContact O-N 3.35Å; G404-V408 WeakPolarHBondContact O-CG2 3.31Å; G404-V408 PolarHBondContact O-N 2.74Å; G404-V408 VanDerWaalsContact O-N 3.08Å; G404-V451 WeakPolarHBondContact O-CG1 3.21Å
405L93.7Very high80.9Confident36 Ų3676.4 Ų76.419%0.18841%0.411CS..Hα-helixtrans-67.9-40.7177.9-17062000111.8V401 H402 V408 Q409 V459 A462V401-L405 HydrophobicContact CG1-CB 4.24Å; V401-L405 HydrophobicContact CG1-CD2 4.33Å; V401-L405 HydrophobicContact CG1-CG 4.35Å; H402-L405 HydrophobicContact CB-CB 4.37Å; H402-L405 PolarHBondContact O-N 3.35Å; L405-V408 PolarHBondContact O-N 3.11Å; L405-Q409 WeakPolarHBondContact O-CG 3.31Å; L405-Q409 PolarHBondContact O-N 3.46Å; L405-V459 HydrophobicContact CB-CG2 4.3Å; L405-A462 HydrophobicContact CD1-CB 3.84Å
406A94.4Very high83.4Confident37 Ų3773.2 Ų73.231%0.30639%0.393SS..Hα-helixtrans-62.4-42.2175.400000112.1V401 H402 Q409 Q410V401-A406 HydrophobicContact CG1-CB 4Å; H402-A406 PolarHBondContact O-N 2.85Å; A406-Q409 PolarHBondContact O-N 2.94Å; A406-Q410 PolarHBondContact O-N 2.9Å
407K95.7Very high85.9Confident110 Ų11072.9 Ų72.948%0.47838%0.382SS..Hα-helixtrans-57.4-48.1172-77.4172.4178.3-1780111.5P403 G404 Q409 Q410 I411 V451P403-K407 WeakPolarHBondContact O-CB 3.43Å; P403-K407 VanDerWaalsContact O-CG 3.26Å; P403-K407 WeakPolarHBondContact O-CG 3.41Å; P403-K407 PolarHBondContact O-N 3.08Å; G404-K407 PolarHBondContact O-N 3.35Å; K407-Q409 PolarHBondContact O-N 3.03Å; K407-Q410 PolarHBondContact O-N 3.28Å; K407-I411 VanDerWaalsContact O-CG1 3.32Å; K407-I411 WeakPolarHBondContact O-CG1 3.45Å; K407-I411 PolarHBondContact O-N 2.93Å; K407-V451 HydrophobicContact CB-CG2 4.04Å
408V97.1Very high88.3Confident0 Ų067 Ų670%035%0.352CS..Hα-helixtrans-61.6-42.1177.9173.60000111.5G404 L405 Q410 I411 L412 L448 V451 V459 A462 R463G404-V408 WeakPolarHBondContact O-CG2 3.31Å; G404-V408 PolarHBondContact O-N 2.74Å; G404-V408 VanDerWaalsContact O-N 3.08Å; L405-V408 PolarHBondContact O-N 3.11Å; V408-Q410 PolarHBondContact O-N 3.31Å; V408-I411 PolarHBondContact O-N 3.46Å; V408-L412 HydrophobicContact CG1-CD1 3.87Å; V408-L412 HydrophobicContact CG1-CG 4.27Å; V408-L412 WeakPolarHBondContact O-CB 3.36Å; V408-L412 VanDerWaalsContact O-CG 3.31Å; V408-L412 WeakPolarHBondContact O-CG 3.44Å; V408-L412 PolarHBondContact O-N 2.96Å; V408-L448 HydrophobicContact CG1-CD2 4.07Å; V408-L448 HydrophobicContact CG2-CD2 4.29Å; V408-V451 HydrophobicContact CG2-CB 4.19Å; V408-V451 HydrophobicContact CG2-CG1 3.97Å; V408-V451 HydrophobicContact CG2-CG2 4.04Å; V408-V459 HydrophobicContact CG2-CG1 4.37Å; V408-A462 HydrophobicContact CG1-CB 3.75Å; V408-R463 HydrophobicContact CG2-CB 4.31Å
409Q96.8Very high90.7Very high104 Ų10460 Ų6049%0.48632%0.321SS..Hα-helixtrans-61.6-43.1175.4-73.2173.8-33.200112.1L405 A406 K407 I411 L412 E413L405-Q409 WeakPolarHBondContact O-CG 3.31Å; L405-Q409 PolarHBondContact O-N 3.46Å; A406-Q409 PolarHBondContact O-N 2.94Å; K407-Q409 PolarHBondContact O-N 3.03Å; Q409-I411 VanDerWaalsContact C-N 3.31Å; Q409-I411 PolarHBondContact O-N 2.89Å; Q409-L412 PolarHBondContact O-N 2.89Å; Q409-E413 PolarHBondContact O-N 3.35Å
410Q97.7Very high93.3Very high117 Ų11761 Ų6155%0.54732%0.318SS..Hα-helixtrans-67.7-28.5176.6-166.3-170.811.100113A406 K407 V408 R414A406-Q410 PolarHBondContact O-N 2.9Å; K407-Q410 PolarHBondContact O-N 3.28Å; V408-Q410 PolarHBondContact O-N 3.31Å; Q410-R414 PolarHBondContact O-NE 3.02Å
411I97.7Very high94.9Very high5 Ų558.2 Ų58.23%0.02630%0.295CS..Hα-helixtrans-71.6-49.1169.5-63.8159.1000109.8K407 V408 Q409 E413 R414 V415 E444 A447 L448 V451K407-I411 VanDerWaalsContact O-CG1 3.32Å; K407-I411 WeakPolarHBondContact O-CG1 3.45Å; K407-I411 PolarHBondContact O-N 2.93Å; V408-I411 PolarHBondContact O-N 3.46Å; Q409-I411 VanDerWaalsContact C-N 3.31Å; Q409-I411 PolarHBondContact O-N 2.89Å; I411-E413 PolarHBondContact O-N 2.77Å; I411-R414 WeakPolarHBondContact O-CA 3.35Å; I411-R414 WeakPolarHBondContact O-CB 3Å; I411-R414 PolarHBondContact O-N 2.69Å; I411-V415 HydrophobicContact CG2-CG2 3.97Å; I411-V415 WeakPolarHBondContact O-CG2 3.37Å; I411-V415 PolarHBondContact O-N 2.87Å; I411-E444 HydrophobicContact CG2-CB 3.92Å; I411-E444 HydrophobicContact CG2-CG 4.31Å; I411-E444 VanDerWaalsContact CG2-OE2 3.26Å; I411-E444 WeakPolarHBondContact CG2-OE2 3.48Å; I411-A447 HydrophobicContact CD1-CB 3.82Å; I411-A447 HydrophobicContact CG1-CB 4.07Å; I411-L448 HydrophobicContact CB-CD2 4.09Å; I411-L448 HydrophobicContact CB-CG 4.36Å; I411-L448 HydrophobicContact CD1-CD2 3.89Å; I411-L448 HydrophobicContact CD1-CG 4.08Å; I411-L448 HydrophobicContact CG2-CD1 4.09Å; I411-L448 HydrophobicContact CG2-CD2 3.84Å; I411-L448 HydrophobicContact CG2-CG 3.63Å; I411-V451 HydrophobicContact CD1-CG2 3.97Å
412L97.4Very high95.9Very high42 Ų4254.6 Ų54.622%0.2227%0.274CS..Hα-helixtrans-57.2-33.6178.7-75.1170.4000113.2V408 Q409 A416V408-L412 HydrophobicContact CG1-CD1 3.87Å; V408-L412 HydrophobicContact CG1-CG 4.27Å; V408-L412 WeakPolarHBondContact O-CB 3.36Å; V408-L412 VanDerWaalsContact O-CG 3.31Å; V408-L412 WeakPolarHBondContact O-CG 3.44Å; V408-L412 PolarHBondContact O-N 2.96Å; Q409-L412 PolarHBondContact O-N 2.89Å; L412-A416 WeakPolarHBondContact O-CB 3.3Å; L412-A416 PolarHBondContact O-N 3.46Å
413E98Very high96.2Very high109 Ų10959.3 Ų59.351%0.50929%0.294SS..Hα-helixtrans-66.1-39.1173.4-162.2-152.6138.800112.5Q409 I411 A416 K417Q409-E413 PolarHBondContact O-N 3.35Å; I411-E413 PolarHBondContact O-N 2.77Å; E413-A416 PolarHBondContact O-N 3.15Å; E413-K417 WeakPolarHBondContact O-CG 3.49Å; E413-K417 PolarHBondContact O-N 3.43Å; E413-K417 VanDerWaalsContact OE1-CE 3.29Å; E413-K417 WeakPolarHBondContact OE1-CE 3.15Å; E413-K417 IonicContact OE1-NZ 2.69Å; E413-K417 PolarHBondContact OE1-NZ 2.93Å
414R98.3Very high96.4Very high89 Ų8958.6 Ų58.634%0.33629%0.291SS..Hα-helixtrans-70.7-42.9174.8-73.5175.1-77.9141.1-8.2111.4Q410 I411 A416 K417 L418 E444Q410-R414 PolarHBondContact O-NE 3.02Å; I411-R414 WeakPolarHBondContact O-CA 3.35Å; I411-R414 WeakPolarHBondContact O-CB 3Å; I411-R414 PolarHBondContact O-N 2.69Å; R414-A416 VanDerWaalsContact C-N 3.28Å; R414-A416 PolarHBondContact O-N 2.76Å; R414-K417 WeakPolarHBondContact O-CB 3.46Å; R414-K417 PolarHBondContact O-N 3.14Å; R414-L418 WeakPolarHBondContact O-CG 3.47Å; R414-L418 PolarHBondContact O-N 3.46Å; R414-E444 VanDerWaalsContact CB-OE1 3.3Å; R414-E444 WeakPolarHBondContact CB-OE1 3.36Å; R414-E444 WeakPolarHBondContact CD-OE1 3.26Å; R414-E444 IonicContact CZ-OE1 2.62Å; R414-E444 IonicContact CZ-OE2 2.86Å; R414-E444 VanDerWaalsContact CZ-OE2 3.3Å; R414-E444 IonicContact NE-OE1 2.68Å; R414-E444 IonicContact NH1-OE1 3.53Å; R414-E444 PolarHBondContact NH1-OE1 3.12Å; R414-E444 IonicContact NH1-OE2 3.12Å; R414-E444 PolarHBondContact NH1-OE2 3.06Å; R414-E444 IonicContact NH2-OE2 3.21Å
415V98.3Very high96.5Very high0 Ų059.3 Ų59.30%029%0.293CS..Hα-helixtrans-57.9-39.1172.6173.20000111.6I411 K417 L418 E419 E444 R469 V470 I473I411-V415 HydrophobicContact CG2-CG2 3.97Å; I411-V415 WeakPolarHBondContact O-CG2 3.37Å; I411-V415 PolarHBondContact O-N 2.87Å; V415-K417 VanDerWaalsContact C-N 3.31Å; V415-K417 PolarHBondContact O-N 3.44Å; V415-L418 PolarHBondContact O-N 3Å; V415-E419 WeakPolarHBondContact O-CB 3.43Å; V415-E419 PolarHBondContact O-N 3.44Å; V415-E444 HydrophobicContact CG2-CB 3.72Å; V415-E444 HydrophobicContact CG2-CG 3.88Å; V415-R469 HydrophobicContact CG1-CG 4.17Å; V415-V470 HydrophobicContact CB-CG2 4.17Å; V415-V470 HydrophobicContact CG1-CG2 3.6Å; V415-V470 HydrophobicContact CG2-CG2 3.39Å; V415-I473 HydrophobicContact CG1-CD1 3.49Å; V415-I473 VanDerWaalsContact CG1-CD1 3.49Å
416A98.2Very high96.2Very high39 Ų3963.3 Ų63.332%0.32232%0.324SS..Hα-helixtrans-66.8-29.3176.200000113.4L412 E413 R414 Q420L412-A416 WeakPolarHBondContact O-CB 3.3Å; L412-A416 PolarHBondContact O-N 3.46Å; E413-A416 PolarHBondContact O-N 3.15Å; R414-A416 VanDerWaalsContact C-N 3.28Å; R414-A416 PolarHBondContact O-N 2.76Å; A416-Q420 PolarHBondContact O-N 3.46Å
417K97.9Very high95.9Very high110 Ų11063 Ų6348%0.47832%0.324SS..Hα-helixtrans-74-47.1172.8-66.3167.9-168.3174.70110.7E413 R414 V415 E419 Q420 D421E413-K417 WeakPolarHBondContact O-CG 3.49Å; E413-K417 PolarHBondContact O-N 3.43Å; E413-K417 VanDerWaalsContact OE1-CE 3.29Å; E413-K417 WeakPolarHBondContact OE1-CE 3.15Å; E413-K417 IonicContact OE1-NZ 2.69Å; E413-K417 PolarHBondContact OE1-NZ 2.93Å; R414-K417 WeakPolarHBondContact O-CB 3.46Å; R414-K417 PolarHBondContact O-N 3.14Å; V415-K417 VanDerWaalsContact C-N 3.31Å; V415-K417 PolarHBondContact O-N 3.44Å; K417-E419 VanDerWaalsContact C-N 3.28Å; K417-E419 PolarHBondContact O-N 3.02Å; K417-Q420 CarbonylContact O-C 3.3Å; K417-Q420 WeakPolarHBondContact O-CA 3.32Å; K417-Q420 WeakPolarHBondContact O-CB 3.26Å; K417-Q420 PolarHBondContact O-N 2.92Å; K417-D421 PolarHBondContact O-N 3.14Å
418L97.2Very high95.6Very high13 Ų1364.5 Ų64.57%0.06833%0.331CS..Hα-helixtrans-57.5-39.9173.5-63.9171.4000111.9R414 V415 Q420 D421 V422 L437 L440 L441 E444R414-L418 WeakPolarHBondContact O-CG 3.47Å; R414-L418 PolarHBondContact O-N 3.46Å; V415-L418 PolarHBondContact O-N 3Å; L418-Q420 VanDerWaalsContact C-N 3.26Å; L418-Q420 PolarHBondContact O-N 3.21Å; L418-D421 PolarHBondContact O-N 3.26Å; L418-V422 WeakPolarHBondContact O-CB 3.3Å; L418-V422 VanDerWaalsContact O-CG2 3.22Å; L418-V422 WeakPolarHBondContact O-CG2 3.31Å; L418-V422 PolarHBondContact O-N 3.08Å; L418-L437 HydrophobicContact CD2-CD2 3.97Å; L418-L440 HydrophobicContact CD1-CB 3.94Å; L418-L440 HydrophobicContact CD2-CB 3.67Å; L418-L440 HydrophobicContact CD2-CD1 3.87Å; L418-L440 HydrophobicContact CD2-CG 4.42Å; L418-L440 HydrophobicContact CG-CB 4.48Å; L418-L441 HydrophobicContact CB-CD2 3.79Å; L418-L441 HydrophobicContact CB-CG 4.3Å; L418-L441 HydrophobicContact CD1-CD2 3.92Å; L418-L441 HydrophobicContact CD1-CG 4.15Å; L418-L441 HydrophobicContact CG-CD2 4.49Å; L418-E444 HydrophobicContact CD1-CG 3.95Å
419E96.9Very high95.2Very high33 Ų3368.8 Ų68.815%0.15435%0.349CS..Hα-helixtrans-58.6-37173.2-172.4-179.3147.300112.4V415 K417 K423 R469 I473V415-E419 WeakPolarHBondContact O-CB 3.43Å; V415-E419 PolarHBondContact O-N 3.44Å; K417-E419 VanDerWaalsContact C-N 3.28Å; K417-E419 PolarHBondContact O-N 3.02Å; E419-K423 HydrophobicContact CG-CD 4.44Å; E419-K423 WeakPolarHBondContact O-CB 3.43Å; E419-K423 VanDerWaalsContact O-CG 3.23Å; E419-K423 WeakPolarHBondContact O-CG 3.36Å; E419-K423 PolarHBondContact O-N 2.75Å; E419-K423 VanDerWaalsContact OE1-CE 3.28Å; E419-K423 WeakPolarHBondContact OE1-CE 3.29Å; E419-K423 IonicContact OE1-NZ 3.77Å; E419-K423 PolarHBondContact OE1-NZ 3.4Å; E419-R469 IonicContact OE2-CZ 2.66Å; E419-R469 IonicContact OE2-NE 3.85Å; E419-R469 PolarHBondContact OE2-NE 2.94Å; E419-R469 IonicContact OE2-NH2 3.19Å; E419-R469 PolarHBondContact OE2-NH2 3.03Å; E419-I473 HydrophobicContact CB-CD1 3.69Å; E419-I473 HydrophobicContact CB-CG1 4.13Å; E419-I473 HydrophobicContact CG-CD1 4.01Å; E419-I473 HydrophobicContact CG-CG1 3.98Å
420Q97.8Very high94.9Very high110 Ų11070.3 Ų70.351%0.51436%0.361SS..Hα-helixtrans-76.5-34.6176.9-171.557.133.200112.4A416 K417 L418 V422 K423 S424A416-Q420 PolarHBondContact O-N 3.46Å; K417-Q420 CarbonylContact O-C 3.3Å; K417-Q420 WeakPolarHBondContact O-CA 3.32Å; K417-Q420 WeakPolarHBondContact O-CB 3.26Å; K417-Q420 PolarHBondContact O-N 2.92Å; L418-Q420 VanDerWaalsContact C-N 3.26Å; L418-Q420 PolarHBondContact O-N 3.21Å; Q420-V422 VanDerWaalsContact C-N 3.32Å; Q420-K423 PolarHBondContact O-N 2.73Å; Q420-S424 WeakPolarHBondContact O-CB 3.4Å; Q420-S424 PolarHBondContact O-N 3.26Å; Q420-S424 PolarHBondContact O-OG 3.36Å
421D95.9Very high94.7Very high72 Ų7267.9 Ų67.939%0.38535%0.352SS..Hα-helixtrans-70.2-29174.9-66.4-35.9000112.5K417 L418 S424 F425 K433 L437K417-D421 PolarHBondContact O-N 3.14Å; L418-D421 PolarHBondContact O-N 3.26Å; D421-S424 WeakPolarHBondContact CA-OG 3.32Å; D421-S424 CarbonylContact O-C 3.55Å; D421-S424 VanDerWaalsContact O-C 3.3Å; D421-S424 PolarHBondContact O-OG 3.44Å; D421-F425 PolarHBondContact O-N 3.11Å; D421-K433 PolarHBondContact O-NZ 3.25Å; D421-L437 HydrophobicContact CB-CD2 3.61Å
422V96.3Very high94.6Very high7 Ų776.6 Ų76.64%0.04239%0.39CS..Hα-helixtrans-74.9-43.91701710000111.3L418 Q420 S424 F425 L437 L441 I473 L477L418-V422 WeakPolarHBondContact O-CB 3.3Å; L418-V422 VanDerWaalsContact O-CG2 3.22Å; L418-V422 WeakPolarHBondContact O-CG2 3.31Å; L418-V422 PolarHBondContact O-N 3.08Å; Q420-V422 VanDerWaalsContact C-N 3.32Å; V422-S424 PolarHBondContact O-N 3.12Å; V422-F425 VanDerWaalsContact O-CB 3.25Å; V422-F425 WeakPolarHBondContact O-CB 3.4Å; V422-F425 PolarHBondContact O-N 2.94Å; V422-L437 HydrophobicContact CG2-CB 4.36Å; V422-L437 HydrophobicContact CG2-CD1 4Å; V422-L437 HydrophobicContact CG2-CD2 4.36Å; V422-L437 HydrophobicContact CG2-CG 4.47Å; V422-L441 HydrophobicContact CG2-CD1 4.17Å; V422-I473 HydrophobicContact CB-CG2 4.19Å; V422-I473 HydrophobicContact CG1-CG2 4.26Å; V422-I473 HydrophobicContact CG2-CG2 3.87Å; V422-L477 HydrophobicContact CG1-CB 4.09Å; V422-L477 HydrophobicContact CG1-CD1 4.33Å; V422-L477 HydrophobicContact CG2-CB 4.46Å; V422-L477 HydrophobicContact CG2-CD1 4.29Å; V422-L477 HydrophobicContact CG2-CD2 4.36Å
423K93.9Very high94.5Very high131 Ų13178.9 Ų78.957%0.5740%0.398SS*.Hα-helixtrans-61.5-22.6171.5-75.6167-173.4165.60113.5E419 Q420E419-K423 HydrophobicContact CG-CD 4.44Å; E419-K423 WeakPolarHBondContact O-CB 3.43Å; E419-K423 VanDerWaalsContact O-CG 3.23Å; E419-K423 WeakPolarHBondContact O-CG 3.36Å; E419-K423 PolarHBondContact O-N 2.75Å; E419-K423 VanDerWaalsContact OE1-CE 3.28Å; E419-K423 WeakPolarHBondContact OE1-CE 3.29Å; E419-K423 IonicContact OE1-NZ 3.77Å; E419-K423 PolarHBondContact OE1-NZ 3.4Å; Q420-K423 PolarHBondContact O-N 2.73Å
424S93.6Very high94.4Very high64 Ų6474.5 Ų74.545%0.44838%0.377SS..THydrogen-bonded Turntrans-10921.4172.861.20000112.3Q420 D421 V422 K433Q420-S424 WeakPolarHBondContact O-CB 3.4Å; Q420-S424 PolarHBondContact O-N 3.26Å; Q420-S424 PolarHBondContact O-OG 3.36Å; D421-S424 WeakPolarHBondContact CA-OG 3.32Å; D421-S424 CarbonylContact O-C 3.55Å; D421-S424 VanDerWaalsContact O-C 3.3Å; D421-S424 PolarHBondContact O-OG 3.44Å; V422-S424 PolarHBondContact O-N 3.12Å; S424-K433 PolarHBondContact O-NZ 2.92Å
425F94.3Very high94.2Very high17 Ų1774.4 Ų74.48%0.07538%0.383CS..  trans-84.2129.9168.7-177.6-100000109.7D421 V422 G427 K433 Y434 L437 L477 L480D421-F425 PolarHBondContact O-N 3.11Å; V422-F425 VanDerWaalsContact O-CB 3.25Å; V422-F425 WeakPolarHBondContact O-CB 3.4Å; V422-F425 PolarHBondContact O-N 2.94Å; F425-G427 WeakPolarHBondContact CE1-O 3.39Å; F425-K433 HydrophobicContact CD2-CB 4.29Å; F425-K433 HydrophobicContact CD2-CD 3.77Å; F425-K433 HydrophobicContact CD2-CG 3.82Å; F425-K433 HydrophobicContact CE2-CB 3.95Å; F425-K433 HydrophobicContact CE2-CD 4.25Å; F425-K433 HydrophobicContact CE2-CG 4.01Å; F425-Y434 HydrophobicContact CE1-CD2 4.18Å; F425-Y434 HydrophobicContact CZ-CD2 4.29Å; F425-L437 HydrophobicContact CB-CD1 4.22Å; F425-L437 HydrophobicContact CD2-CD1 3.99Å; F425-L437 HydrophobicContact CG-CD1 4.34Å; F425-L477 HydrophobicContact CD1-CD1 4Å; F425-L477 HydrophobicContact CE1-CD1 4.48Å; F425-L477 HydrophobicContact CG-CD1 4.19Å; F425-L480 HydrophobicContact CD1-CD1 4.2Å
426S86.9Confident94.1Very high121 Ų12178.7 Ų78.785%0.84641%0.405SS*.  trans-142.5119.1170.2-177.80000105.9
427G88Confident94.1Very high30 Ų3077.2 Ų77.231%0.30939%0.391SS..SBendtrans158-173.9-166.600000111.6F425 D431F425-G427 WeakPolarHBondContact CE1-O 3.39Å; G427-D431 WeakPolarHBondContact CA-OD2 3.32Å
428K89.3Confident94Very high142 Ų14275.3 Ų75.362%0.61738%0.384SS*.  trans-111.8160.2-178.9-60.6178.8-178.7-178.30110.4N430 D431K428-N430 PolarHBondContact O-N 3.28Å; K428-N430 VanDerWaalsContact O-N 3.09Å; K428-D431 PolarHBondContact N-OD2 3.25Å; K428-D431 VanDerWaalsContact O-CB 3.23Å; K428-D431 WeakPolarHBondContact O-CB 3.41Å; K428-D431 PolarHBondContact O-N 2.79Å
429K89.6Confident94Very high89 Ų8980.3 Ų80.339%0.38741%0.407SS..THydrogen-bonded Turntrans-60.4-21.8178.964.9171.6163.8-158.40116D431 Y434 E481K429-D431 VanDerWaalsContact C-N 3.27Å; K429-D431 PolarHBondContact O-N 3.08Å; K429-Y434 VanDerWaalsContact CA-CG 3.49Å; K429-Y434 HydrophobicContact CB-CD1 3.94Å; K429-Y434 HydrophobicContact CB-CD2 4Å; K429-Y434 HydrophobicContact CB-CE1 3.84Å; K429-Y434 HydrophobicContact CB-CE2 3.83Å; K429-Y434 HydrophobicContact CB-CG 4.08Å; K429-Y434 WeakPolarHBondContact O-CD1 3.46Å; K429-E481 VanDerWaalsContact CD-OE2 3.31Å; K429-E481 WeakPolarHBondContact CD-OE2 3.45Å; K429-E481 WeakPolarHBondContact CE-OE1 3.3Å; K429-E481 VanDerWaalsContact CE-OE2 3.31Å; K429-E481 WeakPolarHBondContact CE-OE2 3.41Å; K429-E481 IonicContact NZ-OE1 2.68Å; K429-E481 PolarHBondContact NZ-OE1 3.03Å; K429-E481 IonicContact NZ-OE2 3.26Å; K429-E481 PolarHBondContact NZ-OE2 2.85Å
430N88.8Confident94Very high137 Ų13781.2 Ų81.273%0.73341%0.413SS*.THydrogen-bonded Turntrans-79.5-6.4174.2-60.4-68.9000113.5K428K428-N430 PolarHBondContact O-N 3.28Å; K428-N430 VanDerWaalsContact O-N 3.09Å
431D94.8Very high94Very high65 Ų6576 Ų7635%0.34839%0.389SS..SBendtrans-78.8140.9-177.6-63.8-14.9000110.8G427 K428 K429 K433 Y434 L435G427-D431 WeakPolarHBondContact CA-OD2 3.32Å; K428-D431 PolarHBondContact N-OD2 3.25Å; K428-D431 VanDerWaalsContact O-CB 3.23Å; K428-D431 WeakPolarHBondContact O-CB 3.41Å; K428-D431 PolarHBondContact O-N 2.79Å; K429-D431 VanDerWaalsContact C-N 3.27Å; K429-D431 PolarHBondContact O-N 3.08Å; D431-K433 PolarHBondContact O-N 2.9Å; D431-Y434 WeakPolarHBondContact O-CB 3.26Å; D431-Y434 PolarHBondContact O-N 3.45Å; D431-L435 PolarHBondContact O-N 3.5Å
432K94.9Very high94.1Very high189 Ų18975.5 Ų75.582%0.82239%0.388SS*.Hα-helixtrans-57.7-26.7-178.6-63.7179.9-179.7-179.30113.8L436K432-L436 VanDerWaalsContact O-CB 3.26Å; K432-L436 WeakPolarHBondContact O-CB 3.5Å; K432-L436 PolarHBondContact O-N 2.85Å
433K95.1Very high94.2Very high90 Ų9080.9 Ų80.939%0.39141%0.411SS..Hα-helixtrans-72.9-34.2174-176.5-175.9171.3-174.80111.9D421 S424 F425 D431 L437D421-K433 PolarHBondContact O-NZ 3.25Å; S424-K433 PolarHBondContact O-NZ 2.92Å; F425-K433 HydrophobicContact CD2-CB 4.29Å; F425-K433 HydrophobicContact CD2-CD 3.77Å; F425-K433 HydrophobicContact CD2-CG 3.82Å; F425-K433 HydrophobicContact CE2-CB 3.95Å; F425-K433 HydrophobicContact CE2-CD 4.25Å; F425-K433 HydrophobicContact CE2-CG 4.01Å; D431-K433 PolarHBondContact O-N 2.9Å; K433-L437 HydrophobicContact CG-CD1 4.14Å; K433-L437 VanDerWaalsContact O-CG 3.25Å; K433-L437 WeakPolarHBondContact O-CG 3.46Å; K433-L437 PolarHBondContact O-N 3.26Å; K433-L437 VanDerWaalsContact O-N 3.16Å
434Y95.5Very high94.4Very high16 Ų1675.2 Ų75.26%0.06339%0.386CS..Hα-helixtrans-64.8-55.9174.2177.7-81.1000110.1F425 K429 D431 L436 L437 E438 L477F425-Y434 HydrophobicContact CE1-CD2 4.18Å; F425-Y434 HydrophobicContact CZ-CD2 4.29Å; K429-Y434 VanDerWaalsContact CA-CG 3.49Å; K429-Y434 HydrophobicContact CB-CD1 3.94Å; K429-Y434 HydrophobicContact CB-CD2 4Å; K429-Y434 HydrophobicContact CB-CE1 3.84Å; K429-Y434 HydrophobicContact CB-CE2 3.83Å; K429-Y434 HydrophobicContact CB-CG 4.08Å; K429-Y434 WeakPolarHBondContact O-CD1 3.46Å; D431-Y434 WeakPolarHBondContact O-CB 3.26Å; D431-Y434 PolarHBondContact O-N 3.45Å; Y434-L436 PolarHBondContact O-N 3.3Å; Y434-L437 PolarHBondContact O-N 3.24Å; Y434-E438 HydrophobicContact CE1-CB 4.24Å; Y434-E438 HydrophobicContact CE1-CG 4.48Å; Y434-E438 VanDerWaalsContact CE1-OE1 3.3Å; Y434-E438 WeakPolarHBondContact CE1-OE1 3.38Å; Y434-E438 PolarHBondContact O-N 3.39Å; Y434-E438 PolarHBondContact OH-OE1 1.77Å; Y434-E438 VanDerWaalsContact OH-OE1 3.11Å; Y434-L477 HydrophobicContact CD2-CD1 3.64Å; Y434-L477 HydrophobicContact CD2-CD2 4.38Å; Y434-L477 HydrophobicContact CD2-CG 3.8Å; Y434-L477 HydrophobicContact CE2-CD1 3.88Å; Y434-L477 HydrophobicContact CE2-CD2 4.28Å; Y434-L477 HydrophobicContact CE2-CG 3.55Å; Y434-L477 WeakPolarHBondContact CE2-O 3.44Å; Y434-L477 HydrophobicContact CG-CD1 4.48Å
435L95.1Very high94.6Very high88 Ų8873.7 Ų73.746%0.46137%0.373SS..Hα-helixtrans-58.9-36.9-176-62.2170.9000112D431 E439D431-L435 PolarHBondContact O-N 3.5Å; L435-E439 VanDerWaalsContact O-CB 3.3Å; L435-E439 WeakPolarHBondContact O-CB 3.44Å; L435-E439 PolarHBondContact O-N 2.47Å
436L96.5Very high94.8Very high90 Ų9078.9 Ų78.947%0.47140%0.401SS..Hα-helixtrans-68.5-38.3174.6-179.462.3000112.9K432 Y434 L440K432-L436 VanDerWaalsContact O-CB 3.26Å; K432-L436 WeakPolarHBondContact O-CB 3.5Å; K432-L436 PolarHBondContact O-N 2.85Å; Y434-L436 PolarHBondContact O-N 3.3Å; L436-L440 HydrophobicContact CD1-CD1 3.93Å; L436-L440 HydrophobicContact CD1-CG 4.12Å; L436-L440 HydrophobicContact CG-CD1 3.93Å; L436-L440 HydrophobicContact CG-CG 4.49Å; L436-L440 VanDerWaalsContact O-CB 3.32Å; L436-L440 WeakPolarHBondContact O-CB 3.18Å; L436-L440 WeakPolarHBondContact O-CD1 3.44Å; L436-L440 WeakPolarHBondContact O-CG 3.21Å; L436-L440 PolarHBondContact O-N 3.18Å
437L96.8Very high95.3Very high7 Ų774.1 Ų74.14%0.03737%0.369CS..Hα-helixtrans-68.7-42.2176.3-72.7169.9000111.2L418 D421 V422 F425 K433 Y434 L440 L441 L477L418-L437 HydrophobicContact CD2-CD2 3.97Å; D421-L437 HydrophobicContact CB-CD2 3.61Å; V422-L437 HydrophobicContact CG2-CB 4.36Å; V422-L437 HydrophobicContact CG2-CD1 4Å; V422-L437 HydrophobicContact CG2-CD2 4.36Å; V422-L437 HydrophobicContact CG2-CG 4.47Å; F425-L437 HydrophobicContact CB-CD1 4.22Å; F425-L437 HydrophobicContact CD2-CD1 3.99Å; F425-L437 HydrophobicContact CG-CD1 4.34Å; K433-L437 HydrophobicContact CG-CD1 4.14Å; K433-L437 VanDerWaalsContact O-CG 3.25Å; K433-L437 WeakPolarHBondContact O-CG 3.46Å; K433-L437 PolarHBondContact O-N 3.26Å; K433-L437 VanDerWaalsContact O-N 3.16Å; Y434-L437 PolarHBondContact O-N 3.24Å; L437-L440 PolarHBondContact O-N 3.38Å; L437-L441 WeakPolarHBondContact O-CB 3.3Å; L437-L441 WeakPolarHBondContact O-CD1 3.44Å; L437-L441 WeakPolarHBondContact O-CG 3.45Å; L437-L441 PolarHBondContact O-N 3.15Å; L437-L477 HydrophobicContact CB-CD2 3.82Å
438E96Very high95.8Very high70 Ų7072.7 Ų72.733%0.32736%0.355SS..Hα-helixtrans-61.6-45.8174.5-175.3175.5-110.700112Y434 T442 L474 L477Y434-E438 HydrophobicContact CE1-CB 4.24Å; Y434-E438 HydrophobicContact CE1-CG 4.48Å; Y434-E438 VanDerWaalsContact CE1-OE1 3.3Å; Y434-E438 WeakPolarHBondContact CE1-OE1 3.38Å; Y434-E438 PolarHBondContact O-N 3.39Å; Y434-E438 PolarHBondContact OH-OE1 1.77Å; Y434-E438 VanDerWaalsContact OH-OE1 3.11Å; E438-T442 VanDerWaalsContact O-CB 3.29Å; E438-T442 WeakPolarHBondContact O-CB 3.48Å; E438-T442 PolarHBondContact O-N 3.07Å; E438-T442 PolarHBondContact O-OG1 2.89Å; E438-L474 HydrophobicContact CG-CD2 4.26Å; E438-L477 HydrophobicContact CB-CD2 4.28Å
439E97.4Very high96.1Very high119 Ų11970.1 Ų70.156%0.55635%0.348SS*.Hα-helixtrans-58.3-49.5173.2-175.3-168.2175.800111.3L435 T442 K443L435-E439 VanDerWaalsContact O-CB 3.3Å; L435-E439 WeakPolarHBondContact O-CB 3.44Å; L435-E439 PolarHBondContact O-N 2.47Å; E439-T442 PolarHBondContact O-N 2.61Å; E439-K443 VanDerWaalsContact O-CB 3.26Å; E439-K443 WeakPolarHBondContact O-CB 3.17Å; E439-K443 PolarHBondContact O-N 3.4Å
440L98.1Very high96.4Very high52 Ų5269.8 Ų69.827%0.27236%0.356SS..Hα-helixtrans-67.9-38.9-177.3-70.8171.7000112.4L418 L436 L437 K443 E444L418-L440 HydrophobicContact CD1-CB 3.94Å; L418-L440 HydrophobicContact CD2-CB 3.67Å; L418-L440 HydrophobicContact CD2-CD1 3.87Å; L418-L440 HydrophobicContact CD2-CG 4.42Å; L418-L440 HydrophobicContact CG-CB 4.48Å; L436-L440 HydrophobicContact CD1-CD1 3.93Å; L436-L440 HydrophobicContact CD1-CG 4.12Å; L436-L440 HydrophobicContact CG-CD1 3.93Å; L436-L440 HydrophobicContact CG-CG 4.49Å; L436-L440 VanDerWaalsContact O-CB 3.32Å; L436-L440 WeakPolarHBondContact O-CB 3.18Å; L436-L440 WeakPolarHBondContact O-CD1 3.44Å; L436-L440 WeakPolarHBondContact O-CG 3.21Å; L436-L440 PolarHBondContact O-N 3.18Å; L437-L440 PolarHBondContact O-N 3.38Å; L440-K443 HydrophobicContact CD2-CD 4.4Å; L440-K443 WeakPolarHBondContact O-CB 3.42Å; L440-K443 PolarHBondContact O-N 3.07Å; L440-E444 WeakPolarHBondContact O-CG 3.43Å; L440-E444 PolarHBondContact O-N 3.32Å
441L97.8Very high96.7Very high0 Ų063.4 Ų63.40%032%0.322CS..Hα-helixtrans-64.9-45173.8-72.3163.5000111.2L418 V422 L437 K443 E444 L445 V470 I473 L474 L477L418-L441 HydrophobicContact CB-CD2 3.79Å; L418-L441 HydrophobicContact CB-CG 4.3Å; L418-L441 HydrophobicContact CD1-CD2 3.92Å; L418-L441 HydrophobicContact CD1-CG 4.15Å; L418-L441 HydrophobicContact CG-CD2 4.49Å; V422-L441 HydrophobicContact CG2-CD1 4.17Å; L437-L441 WeakPolarHBondContact O-CB 3.3Å; L437-L441 WeakPolarHBondContact O-CD1 3.44Å; L437-L441 WeakPolarHBondContact O-CG 3.45Å; L437-L441 PolarHBondContact O-N 3.15Å; L441-K443 VanDerWaalsContact C-N 3.26Å; L441-K443 PolarHBondContact O-N 3.46Å; L441-E444 PolarHBondContact O-N 3.4Å; L441-E444 VanDerWaalsContact O-N 3.08Å; L441-L445 PolarHBondContact O-N 3.44Å; L441-V470 HydrophobicContact CB-CG1 4.02Å; L441-V470 HydrophobicContact CD2-CG1 4.03Å; L441-V470 WeakPolarHBondContact O-CG1 3.4Å; L441-I473 HydrophobicContact CD1-CG2 3.74Å; L441-I473 HydrophobicContact CD2-CB 4.07Å; L441-I473 HydrophobicContact CD2-CD1 4.49Å; L441-I473 HydrophobicContact CD2-CG2 3.67Å; L441-I473 HydrophobicContact CG-CG2 4.38Å; L441-L474 HydrophobicContact CB-CD1 4.35Å; L441-L474 HydrophobicContact CB-CD2 3.66Å; L441-L474 HydrophobicContact CB-CG 3.88Å; L441-L474 HydrophobicContact CD1-CD2 3.8Å; L441-L474 HydrophobicContact CD1-CG 4.09Å; L441-L474 HydrophobicContact CG-CD2 4.39Å; L441-L477 HydrophobicContact CD1-CD2 4.1Å
442T97.9Very high96.6Very high61 Ų6165.5 Ų65.537%0.37433%0.334SS..Hα-helixtrans-60.4-37.8175-57.10000111.6E438 E439 L445 L446E438-T442 VanDerWaalsContact O-CB 3.29Å; E438-T442 WeakPolarHBondContact O-CB 3.48Å; E438-T442 PolarHBondContact O-N 3.07Å; E438-T442 PolarHBondContact O-OG1 2.89Å; E439-T442 PolarHBondContact O-N 2.61Å; T442-L445 WeakPolarHBondContact O-CB 3.19Å; T442-L445 PolarHBondContact O-N 3.43Å; T442-L446 WeakPolarHBondContact O-CG 3.46Å; T442-L446 PolarHBondContact O-N 2.91Å; T442-L446 VanDerWaalsContact O-N 3.11Å
443K98.3Very high96.4Very high121 Ų12158 Ų5853%0.52630%0.304SS..Hα-helixtrans-65.4-35.1174.1-174.9177.2-177.1173.10112.8E439 L440 L441 A447E439-K443 VanDerWaalsContact O-CB 3.26Å; E439-K443 WeakPolarHBondContact O-CB 3.17Å; E439-K443 PolarHBondContact O-N 3.4Å; L440-K443 HydrophobicContact CD2-CD 4.4Å; L440-K443 WeakPolarHBondContact O-CB 3.42Å; L440-K443 PolarHBondContact O-N 3.07Å; L441-K443 VanDerWaalsContact C-N 3.26Å; L441-K443 PolarHBondContact O-N 3.46Å; K443-A447 WeakPolarHBondContact O-CB 3.48Å; K443-A447 PolarHBondContact O-N 2.84Å
444E98.1Very high96.1Very high11 Ų1159.4 Ų59.45%0.05131%0.312CS..Hα-helixtrans-73.8-28.9173.1-61.9-55.5172.700113.2I411 R414 V415 L418 L440 L441 A447 L448 V470I411-E444 HydrophobicContact CG2-CB 3.92Å; I411-E444 HydrophobicContact CG2-CG 4.31Å; I411-E444 VanDerWaalsContact CG2-OE2 3.26Å; I411-E444 WeakPolarHBondContact CG2-OE2 3.48Å; R414-E444 VanDerWaalsContact CB-OE1 3.3Å; R414-E444 WeakPolarHBondContact CB-OE1 3.36Å; R414-E444 WeakPolarHBondContact CD-OE1 3.26Å; R414-E444 IonicContact CZ-OE1 2.62Å; R414-E444 IonicContact CZ-OE2 2.86Å; R414-E444 VanDerWaalsContact CZ-OE2 3.3Å; R414-E444 IonicContact NE-OE1 2.68Å; R414-E444 IonicContact NH1-OE1 3.53Å; R414-E444 PolarHBondContact NH1-OE1 3.12Å; R414-E444 IonicContact NH1-OE2 3.12Å; R414-E444 PolarHBondContact NH1-OE2 3.06Å; R414-E444 IonicContact NH2-OE2 3.21Å; V415-E444 HydrophobicContact CG2-CB 3.72Å; V415-E444 HydrophobicContact CG2-CG 3.88Å; L418-E444 HydrophobicContact CD1-CG 3.95Å; L440-E444 WeakPolarHBondContact O-CG 3.43Å; L440-E444 PolarHBondContact O-N 3.32Å; L441-E444 PolarHBondContact O-N 3.4Å; L441-E444 VanDerWaalsContact O-N 3.08Å; E444-A447 PolarHBondContact O-N 3.18Å; E444-L448 WeakPolarHBondContact O-CB 3.47Å; E444-L448 VanDerWaalsContact O-CG 3.3Å; E444-L448 WeakPolarHBondContact O-CG 3.49Å; E444-L448 PolarHBondContact O-N 3.34Å; E444-V470 HydrophobicContact CB-CG2 4.47Å
445L98Very high95.8Very high33 Ų3361.6 Ų61.617%0.17334%0.34CS..Hα-helixtrans-60.8-51.6167.9-70.8176.3000111L441 T442 A447 L448 D449 V467 V470 Q471 L474L441-L445 PolarHBondContact O-N 3.44Å; T442-L445 WeakPolarHBondContact O-CB 3.19Å; T442-L445 PolarHBondContact O-N 3.43Å; L445-A447 VanDerWaalsContact C-N 3.28Å; L445-A447 PolarHBondContact O-N 3.12Å; L445-L448 PolarHBondContact O-N 3.39Å; L445-L448 VanDerWaalsContact O-N 3.12Å; L445-D449 PolarHBondContact O-N 2.68Å; L445-V467 HydrophobicContact CD2-CB 4.41Å; L445-V467 HydrophobicContact CD2-CG1 4.08Å; L445-V467 HydrophobicContact CD2-CG2 4.41Å; L445-V470 HydrophobicContact CD1-CG1 4.33Å; L445-V470 HydrophobicContact CD2-CB 3.68Å; L445-V470 HydrophobicContact CD2-CG1 3.72Å; L445-V470 HydrophobicContact CG-CB 4.17Å; L445-V470 HydrophobicContact CG-CG1 3.62Å; L445-Q471 HydrophobicContact CD2-CG 4.38Å; L445-L474 HydrophobicContact CD1-CD1 3.89Å
446L97.8Very high95.6Very high125 Ų12561.1 Ų61.165%0.65433%0.332SS*.Hα-helixtrans-59.3-39.9177.2-68.9165.4000111.6T442 S450T442-L446 WeakPolarHBondContact O-CG 3.46Å; T442-L446 PolarHBondContact O-N 2.91Å; T442-L446 VanDerWaalsContact O-N 3.11Å; L446-S450 WeakPolarHBondContact O-CB 3.5Å; L446-S450 PolarHBondContact O-N 2.94Å; L446-S450 PolarHBondContact O-OG 3.25Å
447A97.6Very high95.4Very high22 Ų2261.5 Ų61.518%0.18234%0.338CS..Hα-helixtrans-62.4-44.4174.500000111.9I411 K443 E444 L445 S450I411-A447 HydrophobicContact CD1-CB 3.82Å; I411-A447 HydrophobicContact CG1-CB 4.07Å; K443-A447 WeakPolarHBondContact O-CB 3.48Å; K443-A447 PolarHBondContact O-N 2.84Å; E444-A447 PolarHBondContact O-N 3.18Å; L445-A447 VanDerWaalsContact C-N 3.28Å; L445-A447 PolarHBondContact O-N 3.12Å; A447-S450 PolarHBondContact O-N 2.75Å; A447-S450 PolarHBondContact O-OG 3.44Å
448L97.4Very high95.2Very high0 Ų064 Ų640%035%0.351CS..Hα-helixtrans-64.4-44.4178.6-77.1165.1000112.1V408 I411 E444 L445 S450 V451 R463 G466 V467 V470V408-L448 HydrophobicContact CG1-CD2 4.07Å; V408-L448 HydrophobicContact CG2-CD2 4.29Å; I411-L448 HydrophobicContact CB-CD2 4.09Å; I411-L448 HydrophobicContact CB-CG 4.36Å; I411-L448 HydrophobicContact CD1-CD2 3.89Å; I411-L448 HydrophobicContact CD1-CG 4.08Å; I411-L448 HydrophobicContact CG2-CD1 4.09Å; I411-L448 HydrophobicContact CG2-CD2 3.84Å; I411-L448 HydrophobicContact CG2-CG 3.63Å; E444-L448 WeakPolarHBondContact O-CB 3.47Å; E444-L448 VanDerWaalsContact O-CG 3.3Å; E444-L448 WeakPolarHBondContact O-CG 3.49Å; E444-L448 PolarHBondContact O-N 3.34Å; L445-L448 PolarHBondContact O-N 3.39Å; L445-L448 VanDerWaalsContact O-N 3.12Å; L448-S450 VanDerWaalsContact C-N 3.29Å; L448-S450 PolarHBondContact O-N 2.92Å; L448-V451 WeakPolarHBondContact O-CB 3.15Å; L448-V451 PolarHBondContact O-N 3.41Å; L448-R463 HydrophobicContact CB-CG 4.45Å; L448-R463 WeakPolarHBondContact O-CD 3.43Å; L448-R463 WeakPolarHBondContact O-CG 3.2Å; L448-R463 PolarHBondContact O-NE 3.08Å; L448-G466 VanDerWaalsContact CD1-C 3.46Å; L448-V467 HydrophobicContact CB-CG2 3.94Å; L448-V467 HydrophobicContact CD1-CG2 4.05Å; L448-V470 HydrophobicContact CD1-CG2 4.19Å
449D96.1Very high95.2Very high88 Ų8860.7 Ų60.747%0.47134%0.336SS..Hα-helixtrans-70.2-26.3179.7-82.6-33.6000113.4L445 V451 R463L445-D449 PolarHBondContact O-N 2.68Å; D449-V451 PolarHBondContact O-N 3.21Å; D449-R463 PolarHBondContact O-NH1 2.81Å; D449-R463 PolarHBondContact O-NH2 3.14Å; D449-R463 IonicContact OD1-CZ 2.76Å; D449-R463 VanDerWaalsContact OD1-CZ 3.26Å; D449-R463 IonicContact OD1-NE 3.26Å; D449-R463 PolarHBondContact OD1-NE 2.66Å; D449-R463 VanDerWaalsContact OD1-NE 3.12Å; D449-R463 IonicContact OD1-NH2 2.73Å; D449-R463 PolarHBondContact OD1-NH2 3.24Å
450S95.9Very high95.1Very high82 Ų8259.9 Ų59.957%0.57333%0.327SS*.THydrogen-bonded Turntrans-73.2-2.2169.1790000114.8L446 A447 L448 D452L446-S450 WeakPolarHBondContact O-CB 3.5Å; L446-S450 PolarHBondContact O-N 2.94Å; L446-S450 PolarHBondContact O-OG 3.25Å; A447-S450 PolarHBondContact O-N 2.75Å; A447-S450 PolarHBondContact O-OG 3.44Å; L448-S450 VanDerWaalsContact C-N 3.29Å; L448-S450 PolarHBondContact O-N 2.92Å; S450-D452 PolarHBondContact O-N 2.78Å
451V96.1Very high95.1Very high2 Ų260.8 Ų60.81%0.01233%0.33CS..  trans-82.4110.7172.4-176.10000111G404 K407 V408 I411 L448 D449 P453 V459 R463G404-V451 WeakPolarHBondContact O-CG1 3.21Å; K407-V451 HydrophobicContact CB-CG2 4.04Å; V408-V451 HydrophobicContact CG2-CB 4.19Å; V408-V451 HydrophobicContact CG2-CG1 3.97Å; V408-V451 HydrophobicContact CG2-CG2 4.04Å; I411-V451 HydrophobicContact CD1-CG2 3.97Å; L448-V451 WeakPolarHBondContact O-CB 3.15Å; L448-V451 PolarHBondContact O-N 3.41Å; D449-V451 PolarHBondContact O-N 3.21Å; V451-P453 WeakPolarHBondContact O-CD 3.34Å; V451-V459 HydrophobicContact CG1-CG1 3.93Å; V451-R463 PolarHBondContact O-NH1 3.13Å
452D92.9Very high95Very high110 Ų11061.7 Ų61.759%0.58834%0.338SS*.  trans-60124.2165.5-62.1-60.7000111.5S450 E454S450-D452 PolarHBondContact O-N 2.78Å; D452-E454 VanDerWaalsContact C-N 3.35Å
453P89.7Confident95Very high31 Ų3161.9 Ų61.920%0.20133%0.332CS..  trans-84.6-6177.932.6-34.5000114.1V451 G455 R456 V459 R460V451-P453 WeakPolarHBondContact O-CD 3.34Å; P453-G455 PolarHBondContact O-N 3.44Å; P453-R456 WeakPolarHBondContact O-CB 3.27Å; P453-R456 PolarHBondContact O-N 2.88Å; P453-V459 HydrophobicContact CB-CB 4.1Å; P453-V459 HydrophobicContact CB-CG1 4.27Å; P453-R460 HydrophobicContact CB-CG 3.44Å; P453-R460 VanDerWaalsContact CB-CG 3.44Å; P453-R460 HydrophobicContact CG-CG 3.88Å
454E89.6Confident95Very high119 Ų11962.9 Ų62.956%0.55633%0.332SS*.THydrogen-bonded Turntrans48.336.1-178.3-67.4172.7-129.500113.8H402 D452 R456H402-E454 IonicContact CD2-OE2 2.69Å; H402-E454 VanDerWaalsContact CE1-CG 3.45Å; H402-E454 WeakPolarHBondContact CE1-CG 3.2Å; H402-E454 IonicContact CE1-OE1 3.17Å; H402-E454 PolarHBondContact CE1-OE1 2.86Å; H402-E454 IonicContact CE1-OE2 2.66Å; H402-E454 WeakPolarHBondContact NE2-CG 3.34Å; H402-E454 IonicContact NE2-OE1 3.73Å; H402-E454 PolarHBondContact NE2-OE1 3.38Å; H402-E454 CovalentContact NE2-OE2 1.77Å; H402-E454 IonicContact NE2-OE2 2.68Å; H402-E454 PolarHBondContact NE2-OE2 2.9Å; D452-E454 VanDerWaalsContact C-N 3.35Å; E454-R456 HydrophobicContact CB-CG 4.36Å; E454-R456 WeakPolarHBondContact O-CG 3.3Å; E454-R456 PolarHBondContact O-N 2.83Å; E454-R456 VanDerWaalsContact O-N 3.12Å
455G87.8Confident94.9Very high63 Ų6365.2 Ų65.265%0.64935%0.345SS*.THydrogen-bonded Turntrans71.3-3.7-176.100000115.4P453 R460P453-G455 PolarHBondContact O-N 3.44Å; G455-R460 PolarHBondContact O-NH1 3.35Å
456R91.5Very high94.9Very high77 Ų7763.7 Ų63.729%0.29134%0.337SS..  trans-84.2137.5-175.4-40.3-162.3-49.996.316.3112.2H402 P453 E454 D458 V459 R460H402-R456 PolarHBondContact CD2-NE 2.98Å; H402-R456 PolarHBondContact ND1-NE 3.38Å; H402-R456 PolarHBondContact ND1-NH2 3.32Å; P453-R456 WeakPolarHBondContact O-CB 3.27Å; P453-R456 PolarHBondContact O-N 2.88Å; E454-R456 HydrophobicContact CB-CG 4.36Å; E454-R456 WeakPolarHBondContact O-CG 3.3Å; E454-R456 PolarHBondContact O-N 2.83Å; E454-R456 VanDerWaalsContact O-N 3.12Å; R456-D458 WeakPolarHBondContact CB-OD1 3.37Å; R456-D458 IonicContact CZ-OD1 2.66Å; R456-D458 VanDerWaalsContact CZ-OD1 3.26Å; R456-D458 IonicContact CZ-OD2 2.7Å; R456-D458 VanDerWaalsContact NH1-CG 3.3Å; R456-D458 IonicContact NH1-OD1 3.59Å; R456-D458 PolarHBondContact NH1-OD1 3Å; R456-D458 VanDerWaalsContact NH1-OD1 3.08Å; R456-D458 IonicContact NH1-OD2 3.38Å; R456-D458 PolarHBondContact NH1-OD2 2.9Å; R456-D458 IonicContact NH2-OD1 3.3Å; R456-D458 PolarHBondContact NH2-OD1 2.78Å; R456-D458 IonicContact NH2-OD2 2.78Å; R456-D458 PolarHBondContact NH2-OD2 3.41Å; R456-V459 HydrophobicContact CB-CG2 4.33Å; R456-R460 PolarHBondContact O-N 2.98Å; R456-R460 PolarHBondContact O-NH1 2.73Å
457V93.1Very high95Very high98 Ų9858.8 Ų58.859%0.59431%0.312SS*.Hα-helixtrans-75.8-37.6-169.4-177.10000111.9R460 Q461V457-R460 PolarHBondContact O-N 3.21Å; V457-Q461 WeakPolarHBondContact O-CB 3.46Å; V457-Q461 PolarHBondContact O-N 3.02Å
458D92.8Very high95Very high60 Ų6063.3 Ų63.332%0.32133%0.325SS..Hα-helixtrans-57.1-46.7175.859.6-29.4000112.5R456 Q461 A462R456-D458 WeakPolarHBondContact CB-OD1 3.37Å; R456-D458 IonicContact CZ-OD1 2.66Å; R456-D458 VanDerWaalsContact CZ-OD1 3.26Å; R456-D458 IonicContact CZ-OD2 2.7Å; R456-D458 VanDerWaalsContact NH1-CG 3.3Å; R456-D458 IonicContact NH1-OD1 3.59Å; R456-D458 PolarHBondContact NH1-OD1 3Å; R456-D458 VanDerWaalsContact NH1-OD1 3.08Å; R456-D458 IonicContact NH1-OD2 3.38Å; R456-D458 PolarHBondContact NH1-OD2 2.9Å; R456-D458 IonicContact NH2-OD1 3.3Å; R456-D458 PolarHBondContact NH2-OD1 2.78Å; R456-D458 IonicContact NH2-OD2 2.78Å; R456-D458 PolarHBondContact NH2-OD2 3.41Å; D458-Q461 PolarHBondContact O-N 3.28Å; D458-A462 WeakPolarHBondContact O-CB 3.37Å; D458-A462 PolarHBondContact O-N 3.14Å
459V95.3Very high95Very high0 Ų068 Ų680%034%0.342CS..Hα-helixtrans-66.6-42.1177.5-165.80000111L405 V408 V451 P453 R456 Q461 R463L405-V459 HydrophobicContact CB-CG2 4.3Å; V408-V459 HydrophobicContact CG2-CG1 4.37Å; V451-V459 HydrophobicContact CG1-CG1 3.93Å; P453-V459 HydrophobicContact CB-CB 4.1Å; P453-V459 HydrophobicContact CB-CG1 4.27Å; R456-V459 HydrophobicContact CB-CG2 4.33Å; V459-Q461 VanDerWaalsContact C-N 3.27Å; V459-Q461 PolarHBondContact O-N 2.96Å; V459-R463 WeakPolarHBondContact O-CB 3.42Å; V459-R463 PolarHBondContact O-N 2.81Å
460R95.8Very high95.1Very high102 Ų10263.8 Ų63.839%0.38532%0.32SS..Hα-helixtrans-62.5-34.7174.3-68.9-162.4-58.4-7820.6112.4P453 G455 R456 V457 R464P453-R460 HydrophobicContact CB-CG 3.44Å; P453-R460 VanDerWaalsContact CB-CG 3.44Å; P453-R460 HydrophobicContact CG-CG 3.88Å; G455-R460 PolarHBondContact O-NH1 3.35Å; R456-R460 PolarHBondContact O-N 2.98Å; R456-R460 PolarHBondContact O-NH1 2.73Å; V457-R460 PolarHBondContact O-N 3.21Å; R460-R464 WeakPolarHBondContact O-CB 3.4Å; R460-R464 WeakPolarHBondContact O-CG 3.31Å; R460-R464 PolarHBondContact O-N 3.2Å; R460-R464 PolarHBondContact O-NE 3.28Å
461Q96.9Very high95.2Very high72 Ų7264.8 Ų64.834%0.33632%0.315SS..Hα-helixtrans-70-57.9177.2-174.35537.100110.3V457 D458 V459 R463 R464 D465V457-Q461 WeakPolarHBondContact O-CB 3.46Å; V457-Q461 PolarHBondContact O-N 3.02Å; D458-Q461 PolarHBondContact O-N 3.28Å; V459-Q461 VanDerWaalsContact C-N 3.27Å; V459-Q461 PolarHBondContact O-N 2.96Å; Q461-R463 VanDerWaalsContact C-N 3.29Å; Q461-R463 PolarHBondContact O-N 2.9Å; Q461-R464 PolarHBondContact O-N 3.35Å; Q461-D465 WeakPolarHBondContact CG-OD2 3.33Å; Q461-D465 VanDerWaalsContact NE2-CG 3.29Å; Q461-D465 PolarHBondContact NE2-OD1 2.99Å; Q461-D465 VanDerWaalsContact NE2-OD1 3.15Å; Q461-D465 PolarHBondContact NE2-OD2 3.17Å; Q461-D465 PolarHBondContact O-N 3.19Å; Q461-D465 VanDerWaalsContact O-OD2 3.13Å
462A96.5Very high95.3Very high19 Ų1967.5 Ų67.516%0.15733%0.332CS..Hα-helixtrans-57.5-38.6-179.300000112.9L405 V408 D458 D465 G466L405-A462 HydrophobicContact CD1-CB 3.84Å; V408-A462 HydrophobicContact CG1-CB 3.75Å; D458-A462 WeakPolarHBondContact O-CB 3.37Å; D458-A462 PolarHBondContact O-N 3.14Å; A462-D465 PolarHBondContact O-N 3.13Å; A462-G466 PolarHBondContact O-N 2.93Å
463R97.6Very high95.5Very high64 Ų6462.4 Ų62.424%0.24231%0.305CS..Hα-helixtrans-62.6-47.1173.5177.6-179.6150.9177.7-5.8111.9V408 L448 D449 V451 V459 Q461 D465 G466 V467V408-R463 HydrophobicContact CG2-CB 4.31Å; L448-R463 HydrophobicContact CB-CG 4.45Å; L448-R463 WeakPolarHBondContact O-CD 3.43Å; L448-R463 WeakPolarHBondContact O-CG 3.2Å; L448-R463 PolarHBondContact O-NE 3.08Å; D449-R463 PolarHBondContact O-NH1 2.81Å; D449-R463 PolarHBondContact O-NH2 3.14Å; D449-R463 IonicContact OD1-CZ 2.76Å; D449-R463 VanDerWaalsContact OD1-CZ 3.26Å; D449-R463 IonicContact OD1-NE 3.26Å; D449-R463 PolarHBondContact OD1-NE 2.66Å; D449-R463 VanDerWaalsContact OD1-NE 3.12Å; D449-R463 IonicContact OD1-NH2 2.73Å; D449-R463 PolarHBondContact OD1-NH2 3.24Å; V451-R463 PolarHBondContact O-NH1 3.13Å; V459-R463 WeakPolarHBondContact O-CB 3.42Å; V459-R463 PolarHBondContact O-N 2.81Å; Q461-R463 VanDerWaalsContact C-N 3.29Å; Q461-R463 PolarHBondContact O-N 2.9Å; R463-D465 PolarHBondContact O-N 2.77Å; R463-G466 PolarHBondContact O-N 3.46Å; R463-V467 WeakPolarHBondContact O-CG2 3.47Å; R463-V467 PolarHBondContact O-N 2.89Å
464R97.8Very high95.8Very high142 Ų14262.7 Ų62.754%0.53630%0.304SS..Hα-helixtrans-66.5-34.6177.5-71.9-176.8-54.21675.5112.8R460 Q461 R468R460-R464 WeakPolarHBondContact O-CB 3.4Å; R460-R464 WeakPolarHBondContact O-CG 3.31Å; R460-R464 PolarHBondContact O-N 3.2Å; R460-R464 PolarHBondContact O-NE 3.28Å; Q461-R464 PolarHBondContact O-N 3.35Å; R464-R468 PolarHBondContact O-N 3.1Å; R464-R468 VanDerWaalsContact O-N 3.14Å; R464-R468 PolarHBondContact O-NE 2.9Å; R464-R468 PolarHBondContact O-NH2 3.44Å
465D97.8Very high96.1Very high61 Ų6161.6 Ų61.633%0.32630%0.299SS..Hα-helixtrans-67.5-40.8173.2-68.5-43.2000111.3Q461 A462 R463 R468 R469Q461-D465 WeakPolarHBondContact CG-OD2 3.33Å; Q461-D465 VanDerWaalsContact NE2-CG 3.29Å; Q461-D465 PolarHBondContact NE2-OD1 2.99Å; Q461-D465 VanDerWaalsContact NE2-OD1 3.15Å; Q461-D465 PolarHBondContact NE2-OD2 3.17Å; Q461-D465 PolarHBondContact O-N 3.19Å; Q461-D465 VanDerWaalsContact O-OD2 3.13Å; A462-D465 PolarHBondContact O-N 3.13Å; R463-D465 PolarHBondContact O-N 2.77Å; D465-R468 IonicContact OD1-CZ 2.66Å; D465-R468 IonicContact OD1-NH1 3.02Å; D465-R468 PolarHBondContact OD1-NH1 3.41Å; D465-R468 IonicContact OD1-NH2 3.95Å; D465-R468 PolarHBondContact OD1-NH2 3.18Å; D465-R469 WeakPolarHBondContact O-CB 3.49Å; D465-R469 PolarHBondContact O-N 3.38Å
466G97.9Very high96.4Very high0 Ų063.4 Ų63.40%029%0.289CS..Hα-helixtrans-62.5-47.6173.500000113.3L448 A462 R463 R468 R469 V470L448-G466 VanDerWaalsContact CD1-C 3.46Å; A462-G466 PolarHBondContact O-N 2.93Å; R463-G466 PolarHBondContact O-N 3.46Å; G466-R468 PolarHBondContact O-N 2.91Å; G466-R469 PolarHBondContact O-N 2.7Å; G466-R469 VanDerWaalsContact O-N 3.14Å; G466-V470 WeakPolarHBondContact O-CG2 3.44Å; G466-V470 PolarHBondContact O-N 2.83Å
467V98.3Very high96.5Very high23 Ų2359.8 Ų59.814%0.13928%0.276CS..Hα-helixtrans-60.3-46.7178.9167.20000110.4L445 L448 R463 R469 V470 Q471L445-V467 HydrophobicContact CD2-CB 4.41Å; L445-V467 HydrophobicContact CD2-CG1 4.08Å; L445-V467 HydrophobicContact CD2-CG2 4.41Å; L448-V467 HydrophobicContact CB-CG2 3.94Å; L448-V467 HydrophobicContact CD1-CG2 4.05Å; R463-V467 WeakPolarHBondContact O-CG2 3.47Å; R463-V467 PolarHBondContact O-N 2.89Å; V467-R469 PolarHBondContact O-N 2.66Å; V467-V470 PolarHBondContact O-N 2.79Å; V467-Q471 WeakPolarHBondContact O-CG 3.19Å; V467-Q471 PolarHBondContact O-N 3.2Å
468R98.3Very high96.4Very high116 Ų11660.6 Ų60.644%0.43827%0.273SS..Hα-helixtrans-58.2-44.8173.2-88.1-178.2-82.7106.82.3112.4R464 D465 G466 V470 Q471 T472R464-R468 PolarHBondContact O-N 3.1Å; R464-R468 VanDerWaalsContact O-N 3.14Å; R464-R468 PolarHBondContact O-NE 2.9Å; R464-R468 PolarHBondContact O-NH2 3.44Å; D465-R468 IonicContact OD1-CZ 2.66Å; D465-R468 IonicContact OD1-NH1 3.02Å; D465-R468 PolarHBondContact OD1-NH1 3.41Å; D465-R468 IonicContact OD1-NH2 3.95Å; D465-R468 PolarHBondContact OD1-NH2 3.18Å; G466-R468 PolarHBondContact O-N 2.91Å; R468-V470 PolarHBondContact O-N 2.58Å; R468-Q471 PolarHBondContact O-N 2.92Å; R468-T472 PolarHBondContact O-N 3.02Å; R468-T472 PolarHBondContact O-OG1 3.31Å
469R98Very high96.2Very high99 Ų9961.8 Ų61.837%0.37428%0.277SS..Hα-helixtrans-60.2-45.2178.2-173.8178-175.3167.71.2111.8V415 E419 D465 G466 V467 T472 I473V415-R469 HydrophobicContact CG1-CG 4.17Å; E419-R469 IonicContact OE2-CZ 2.66Å; E419-R469 IonicContact OE2-NE 3.85Å; E419-R469 PolarHBondContact OE2-NE 2.94Å; E419-R469 IonicContact OE2-NH2 3.19Å; E419-R469 PolarHBondContact OE2-NH2 3.03Å; D465-R469 WeakPolarHBondContact O-CB 3.49Å; D465-R469 PolarHBondContact O-N 3.38Å; G466-R469 PolarHBondContact O-N 2.7Å; G466-R469 VanDerWaalsContact O-N 3.14Å; V467-R469 PolarHBondContact O-N 2.66Å; R469-T472 PolarHBondContact O-N 2.87Å; R469-I473 HydrophobicContact CG-CD1 3.94Å; R469-I473 WeakPolarHBondContact O-CD1 3.38Å; R469-I473 WeakPolarHBondContact O-CG1 3.49Å; R469-I473 PolarHBondContact O-N 2.82Å; R469-I473 VanDerWaalsContact O-N 3.1Å
470V98.3Very high95.4Very high0 Ų065.3 Ų65.30%030%0.295CS..Hα-helixtrans-66.1-41.5178.8179.70000111.6V415 L441 E444 L445 L448 G466 V467 R468 T472 I473 L474V415-V470 HydrophobicContact CB-CG2 4.17Å; V415-V470 HydrophobicContact CG1-CG2 3.6Å; V415-V470 HydrophobicContact CG2-CG2 3.39Å; L441-V470 HydrophobicContact CB-CG1 4.02Å; L441-V470 HydrophobicContact CD2-CG1 4.03Å; L441-V470 WeakPolarHBondContact O-CG1 3.4Å; E444-V470 HydrophobicContact CB-CG2 4.47Å; L445-V470 HydrophobicContact CD1-CG1 4.33Å; L445-V470 HydrophobicContact CD2-CB 3.68Å; L445-V470 HydrophobicContact CD2-CG1 3.72Å; L445-V470 HydrophobicContact CG-CB 4.17Å; L445-V470 HydrophobicContact CG-CG1 3.62Å; L448-V470 HydrophobicContact CD1-CG2 4.19Å; G466-V470 WeakPolarHBondContact O-CG2 3.44Å; G466-V470 PolarHBondContact O-N 2.83Å; V467-V470 PolarHBondContact O-N 2.79Å; R468-V470 PolarHBondContact O-N 2.58Å; V470-T472 PolarHBondContact O-N 2.92Å; V470-I473 PolarHBondContact O-N 3.34Å; V470-L474 HydrophobicContact CG1-CD1 4.24Å; V470-L474 PolarHBondContact O-N 3.4Å
471Q98.1Very high94Very high102 Ų10263.4 Ų63.448%0.47729%0.291SS..Hα-helixtrans-57.8-47.5173.9-73.3170-28.700111.6L445 V467 R468 I473 L474 E475L445-Q471 HydrophobicContact CD2-CG 4.38Å; V467-Q471 WeakPolarHBondContact O-CG 3.19Å; V467-Q471 PolarHBondContact O-N 3.2Å; R468-Q471 PolarHBondContact O-N 2.92Å; Q471-I473 PolarHBondContact O-N 3.41Å; Q471-L474 PolarHBondContact O-N 3.03Å; Q471-E475 WeakPolarHBondContact O-CB 3.48Å; Q471-E475 PolarHBondContact O-N 3.36Å
472T98.1Very high92.3Very high59 Ų5966.7 Ų66.736%0.36231%0.306SS..Hα-helixtrans-65.2-19.6175.2-59.40000113.8R468 R469 V470 K476R468-T472 PolarHBondContact O-N 3.02Å; R468-T472 PolarHBondContact O-OG1 3.31Å; R469-T472 PolarHBondContact O-N 2.87Å; V470-T472 PolarHBondContact O-N 2.92Å; T472-K476 WeakPolarHBondContact O-CD 3.39Å; T472-K476 VanDerWaalsContact O-CG 3.22Å; T472-K476 WeakPolarHBondContact O-CG 3.25Å; T472-K476 PolarHBondContact O-N 3.38Å
473I97Very high90.2Very high4 Ų471.6 Ų71.62%0.02133%0.325CS..Hα-helixtrans-84.5-39.4174-63.5157.9000110.8V415 E419 V422 L441 R469 V470 Q471 K476 L477V415-I473 HydrophobicContact CG1-CD1 3.49Å; V415-I473 VanDerWaalsContact CG1-CD1 3.49Å; E419-I473 HydrophobicContact CB-CD1 3.69Å; E419-I473 HydrophobicContact CB-CG1 4.13Å; E419-I473 HydrophobicContact CG-CD1 4.01Å; E419-I473 HydrophobicContact CG-CG1 3.98Å; V422-I473 HydrophobicContact CB-CG2 4.19Å; V422-I473 HydrophobicContact CG1-CG2 4.26Å; V422-I473 HydrophobicContact CG2-CG2 3.87Å; L441-I473 HydrophobicContact CD1-CG2 3.74Å; L441-I473 HydrophobicContact CD2-CB 4.07Å; L441-I473 HydrophobicContact CD2-CD1 4.49Å; L441-I473 HydrophobicContact CD2-CG2 3.67Å; L441-I473 HydrophobicContact CG-CG2 4.38Å; R469-I473 HydrophobicContact CG-CD1 3.94Å; R469-I473 WeakPolarHBondContact O-CD1 3.38Å; R469-I473 WeakPolarHBondContact O-CG1 3.49Å; R469-I473 PolarHBondContact O-N 2.82Å; R469-I473 VanDerWaalsContact O-N 3.1Å; V470-I473 PolarHBondContact O-N 3.34Å; Q471-I473 PolarHBondContact O-N 3.41Å; I473-K476 PolarHBondContact O-N 2.76Å; I473-L477 WeakPolarHBondContact O-CB 3.48Å; I473-L477 PolarHBondContact O-N 2.83Å
474L95.9Very high88Confident36 Ų3671.6 Ų71.619%0.18834%0.335CS..Hα-helixtrans-60.9-47.2171.3-75.9165.2000111.1E438 L441 L445 V470 Q471 K476 L477 E478E438-L474 HydrophobicContact CG-CD2 4.26Å; L441-L474 HydrophobicContact CB-CD1 4.35Å; L441-L474 HydrophobicContact CB-CD2 3.66Å; L441-L474 HydrophobicContact CB-CG 3.88Å; L441-L474 HydrophobicContact CD1-CD2 3.8Å; L441-L474 HydrophobicContact CD1-CG 4.09Å; L441-L474 HydrophobicContact CG-CD2 4.39Å; L445-L474 HydrophobicContact CD1-CD1 3.89Å; V470-L474 HydrophobicContact CG1-CD1 4.24Å; V470-L474 PolarHBondContact O-N 3.4Å; Q471-L474 PolarHBondContact O-N 3.03Å; L474-K476 VanDerWaalsContact C-N 3.28Å; L474-K476 PolarHBondContact O-N 3.34Å; L474-L477 WeakPolarHBondContact O-CA 3.41Å; L474-L477 WeakPolarHBondContact O-CB 3.23Å; L474-L477 PolarHBondContact O-N 3.17Å; L474-E478 PolarHBondContact O-N 3.06Å
475E95.6Very high85.7Confident96 Ų9668.2 Ų68.245%0.44934%0.337SS..Hα-helixtrans-56.6-40.4175.7-170-166.517100112Q471 E478 Q479Q471-E475 WeakPolarHBondContact O-CB 3.48Å; Q471-E475 PolarHBondContact O-N 3.36Å; E475-E478 PolarHBondContact O-N 3.31Å; E475-Q479 WeakPolarHBondContact O-CB 3.49Å; E475-Q479 VanDerWaalsContact O-CG 3.22Å; E475-Q479 WeakPolarHBondContact O-CG 3.43Å; E475-Q479 PolarHBondContact O-N 3.12Å; E475-Q479 PolarHBondContact OE1-NE2 3.21Å; E475-Q479 VanDerWaalsContact OE1-NE2 3.17Å
476K93.8Very high83.4Confident102 Ų10268.2 Ų68.244%0.44334%0.342SS..Hα-helixtrans-70.2-34.9174.6-76.4171-175.11750113.3T472 I473 L474 E478 L480T472-K476 WeakPolarHBondContact O-CD 3.39Å; T472-K476 VanDerWaalsContact O-CG 3.22Å; T472-K476 WeakPolarHBondContact O-CG 3.25Å; T472-K476 PolarHBondContact O-N 3.38Å; I473-K476 PolarHBondContact O-N 2.76Å; L474-K476 VanDerWaalsContact C-N 3.28Å; L474-K476 PolarHBondContact O-N 3.34Å; K476-E478 VanDerWaalsContact C-N 3.33Å; K476-L480 WeakPolarHBondContact O-CG 3.34Å; K476-L480 PolarHBondContact O-N 2.69Å
477L93.1Very high81.1Confident1 Ų175.8 Ų75.81%0.00538%0.378CS..Hα-helixtrans-66.6-38.1176.3-178.558.4000110.5V422 F425 Y434 L437 E438 L441 I473 L474V422-L477 HydrophobicContact CG1-CB 4.09Å; V422-L477 HydrophobicContact CG1-CD1 4.33Å; V422-L477 HydrophobicContact CG2-CB 4.46Å; V422-L477 HydrophobicContact CG2-CD1 4.29Å; V422-L477 HydrophobicContact CG2-CD2 4.36Å; F425-L477 HydrophobicContact CD1-CD1 4Å; F425-L477 HydrophobicContact CE1-CD1 4.48Å; F425-L477 HydrophobicContact CG-CD1 4.19Å; Y434-L477 HydrophobicContact CD2-CD1 3.64Å; Y434-L477 HydrophobicContact CD2-CD2 4.38Å; Y434-L477 HydrophobicContact CD2-CG 3.8Å; Y434-L477 HydrophobicContact CE2-CD1 3.88Å; Y434-L477 HydrophobicContact CE2-CD2 4.28Å; Y434-L477 HydrophobicContact CE2-CG 3.55Å; Y434-L477 WeakPolarHBondContact CE2-O 3.44Å; Y434-L477 HydrophobicContact CG-CD1 4.48Å; L437-L477 HydrophobicContact CB-CD2 3.82Å; E438-L477 HydrophobicContact CB-CD2 4.28Å; L441-L477 HydrophobicContact CD1-CD2 4.1Å; I473-L477 WeakPolarHBondContact O-CB 3.48Å; I473-L477 PolarHBondContact O-N 2.83Å; L474-L477 WeakPolarHBondContact O-CA 3.41Å; L474-L477 WeakPolarHBondContact O-CB 3.23Å; L474-L477 PolarHBondContact O-N 3.17Å
478E90.9Very high78.8Confident115 Ų11578.3 Ų78.354%0.53740%0.401SS..Hα-helixtrans-68.4-48.6172.4-173.8173.6-15300112.2L474 E475 K476 L480 E481L474-E478 PolarHBondContact O-N 3.06Å; E475-E478 PolarHBondContact O-N 3.31Å; K476-E478 VanDerWaalsContact C-N 3.33Å; E478-L480 PolarHBondContact O-N 3.36Å; E478-L480 VanDerWaalsContact O-N 3.07Å; E478-E481 WeakPolarHBondContact O-CB 3.21Å; E478-E481 WeakPolarHBondContact O-CG 3.38Å; E478-E481 PolarHBondContact O-N 3.25Å
479Q88.8Confident76.6Confident85 Ų8575.8 Ų75.840%0.39741%0.405SS..Hα-helixtrans-58.3-24.3179.5-77.3170.59.200114.3E475 E481 E482 H483E475-Q479 WeakPolarHBondContact O-CB 3.49Å; E475-Q479 VanDerWaalsContact O-CG 3.22Å; E475-Q479 WeakPolarHBondContact O-CG 3.43Å; E475-Q479 PolarHBondContact O-N 3.12Å; E475-Q479 PolarHBondContact OE1-NE2 3.21Å; E475-Q479 VanDerWaalsContact OE1-NE2 3.17Å; Q479-E481 PolarHBondContact O-N 2.98Å; Q479-E482 PolarHBondContact O-N 3.23Å; Q479-H483 PolarHBondContact O-ND1 3.45Å
480L78.9Confident74.6Confident74 Ų7478 Ų7839%0.38742%0.423SS..Hα-helixtrans-65.6-20.2172.7-74.7169.1000113F425 K476 E478F425-L480 HydrophobicContact CD1-CD1 4.2Å; K476-L480 WeakPolarHBondContact O-CG 3.34Å; K476-L480 PolarHBondContact O-N 2.69Å; E478-L480 PolarHBondContact O-N 3.36Å; E478-L480 VanDerWaalsContact O-N 3.07Å
481E67.2Low72.1Confident62 Ų6284.4 Ų84.429%0.2946%0.458SS..Hα-helixtrans-71.9-47.5174.195.8167.2-85.400111.8K429 E478 Q479 H483 S484 A485K429-E481 VanDerWaalsContact CD-OE2 3.31Å; K429-E481 WeakPolarHBondContact CD-OE2 3.45Å; K429-E481 WeakPolarHBondContact CE-OE1 3.3Å; K429-E481 VanDerWaalsContact CE-OE2 3.31Å; K429-E481 WeakPolarHBondContact CE-OE2 3.41Å; K429-E481 IonicContact NZ-OE1 2.68Å; K429-E481 PolarHBondContact NZ-OE1 3.03Å; K429-E481 IonicContact NZ-OE2 3.26Å; K429-E481 PolarHBondContact NZ-OE2 2.85Å; E478-E481 WeakPolarHBondContact O-CB 3.21Å; E478-E481 WeakPolarHBondContact O-CG 3.38Å; E478-E481 PolarHBondContact O-N 3.25Å; Q479-E481 PolarHBondContact O-N 2.98Å; E481-H483 PolarHBondContact O-N 2.78Å; E481-S484 PolarHBondContact O-N 2.8Å; E481-S484 PolarHBondContact O-OG 2.84Å; E481-A485 PolarHBondContact O-N 3.37Å
482E61.3Low69.8Low140 Ų14089.8 Ų89.865%0.65447%0.474SS*.Hα-helixtrans-71.8-34.7-168.2-170.6169.7-144.500112.4Q479 A485 S486Q479-E482 PolarHBondContact O-N 3.23Å; E482-A485 PolarHBondContact O-N 2.9Å; E482-S486 PolarHBondContact O-N 3.12Å; E482-S486 VanDerWaalsContact O-N 3.15Å; E482-S486 PolarHBondContact O-OG 2.83Å
483H51.4Low67.3Low123 Ų12393.7 Ų93.757%0.56949%0.492SS*.Hα-helixtrans-67.8-39.2174.3-67.776.5000111.4Q479 E481 A485 S486 E487Q479-H483 PolarHBondContact O-ND1 3.45Å; E481-H483 PolarHBondContact O-N 2.78Å; H483-A485 VanDerWaalsContact C-N 3.26Å; H483-A485 PolarHBondContact O-N 3.19Å; H483-S486 WeakPolarHBondContact CA-OG 3.49Å; H483-S486 PolarHBondContact O-N 3.45Å; H483-S486 PolarHBondContact O-OG 3.05Å; H483-E487 PolarHBondContact O-N 2.89Å; H483-E487 VanDerWaalsContact O-N 3.12Å
484S52.1Low64.8Low64 Ų6498.4 Ų98.445%0.44853%0.526SS..Hα-helixtrans-66.4-26.3176.680.80000113.8E481E481-S484 PolarHBondContact O-N 2.8Å; E481-S484 PolarHBondContact O-OG 2.84Å
485A50.2Low62.5Low70 Ų70104.3 Ų104.358%0.57956%0.557SS**Hα-helixtrans-83.8-31.1178.600000112.9E481 E482 H483E481-A485 PolarHBondContact O-N 3.37Å; E482-A485 PolarHBondContact O-N 2.9Å; H483-A485 VanDerWaalsContact C-N 3.26Å; H483-A485 PolarHBondContact O-N 3.19Å
486S49.2Very low60.1Low62 Ų62105 Ų10543%0.43457%0.568SS.*Hα-helixtrans-85.4-36.7-177.446.40000113.2E482 H483 A488 A489E482-S486 PolarHBondContact O-N 3.12Å; E482-S486 VanDerWaalsContact O-N 3.15Å; E482-S486 PolarHBondContact O-OG 2.83Å; H483-S486 WeakPolarHBondContact CA-OG 3.49Å; H483-S486 PolarHBondContact O-N 3.45Å; H483-S486 PolarHBondContact O-OG 3.05Å; S486-A488 VanDerWaalsContact C-N 3.3Å; S486-A488 PolarHBondContact O-N 3.15Å; S486-A489 WeakPolarHBondContact O-CB 3.44Å; S486-A489 PolarHBondContact O-N 2.82Å; S486-A489 VanDerWaalsContact O-N 3.09Å
487E48.1Very low57.9Low159 Ų159109.9 Ų109.974%0.74359%0.592SS**Hα-helixtrans-62.2-39.3176.3-143.9175.7-161.400111.5H483 A489 L490H483-E487 PolarHBondContact O-N 2.89Å; H483-E487 VanDerWaalsContact O-N 3.12Å; E487-A489 PolarHBondContact O-N 3.1Å; E487-A489 VanDerWaalsContact O-N 3.13Å; E487-L490 PolarHBondContact O-N 3.27Å
488A51.4Low55.4Low75 Ų75117.9 Ų117.962%0.6263%0.627SS**Hα-helixtrans-66.1-10.4175.900000114.8S486S486-A488 VanDerWaalsContact C-N 3.3Å; S486-A488 PolarHBondContact O-N 3.15Å
489A51.8Low53.1Low63 Ų63115.9 Ų115.952%0.52164%0.636SS.*Hα-helixtrans-88.1-27.8175.900000112.9S486 E487S486-A489 WeakPolarHBondContact O-CB 3.44Å; S486-A489 PolarHBondContact O-N 2.82Å; S486-A489 VanDerWaalsContact O-N 3.09Å; E487-A489 PolarHBondContact O-N 3.1Å; E487-A489 VanDerWaalsContact O-N 3.13Å
490L54.8Low50.7Low147 Ų147119.4 Ų119.477%0.7765%0.653SS**Hα-helixtrans-86.1-27.6-172.2-66.1177.1000114E487 R492E487-L490 PolarHBondContact O-N 3.27Å; L490-R492 PolarHBondContact O-N 3.28Å
491D46.8Very low49.4Very low134 Ų134121.3 Ų121.372%0.71767%0.67SS**G310 helixtrans-70.7-20.1178.9-159.5-123000112.8D493 S494D491-D493 PolarHBondContact O-N 3.27Å; D491-S494 PolarHBondContact O-N 3.03Å
492R49.7Very low47.9Very low215 Ų215124 Ų12481%0.81170%0.696SS**G310 helixtrans-75.2-21-171.8-169.6167.7178.5169.10.1114.9L490L490-R492 PolarHBondContact O-N 3.28Å
493D46.2Very low47.1Very low140 Ų140123 Ų12375%0.74970%0.699SS**G310 helixtrans-83.6-11.5178-105.7-55000113.4D491 L495D491-D493 PolarHBondContact O-N 3.27Å; D493-L495 VanDerWaalsContact C-N 3.29Å; D493-L495 PolarHBondContact O-N 3.21Å
494S43.8Very low47Very low104 Ų104125.4 Ų125.473%0.72771%0.714SS**G310 helixtrans-8513-175.5-124.70000115.1D491D491-S494 PolarHBondContact O-N 3.03Å
495L47.7Very low46.8Very low160 Ų160128 Ų12884%0.83873%0.727SS**G310 helixtrans-136.840-176.3-15569.7000115D493D493-L495 VanDerWaalsContact C-N 3.29Å; D493-L495 PolarHBondContact O-N 3.21Å
496T44.8Very low46.4Very low111 Ų111133.4 Ų133.468%0.68174%0.74SS**  trans-131.216.1172.961.20000116.5K498T496-K498 PolarHBondContact O-N 3.14Å
497Q47.5Very low46.2Very low203 Ų203136.7 Ų136.795%0.94976%0.763SS**  trans-77.975.4166.1-71.5-154.312.600112.7G499Q497-G499 PolarHBondContact O-N 3.02Å
498K41.6Very low46.3Very low170 Ų170136.6 Ų136.674%0.73977%0.767SS**  trans-4.1106.8145.7-173-169-178.6-165.60114.8T496 E500T496-K498 PolarHBondContact O-N 3.14Å; K498-E500 IonicContact NZ-OE2 2.61Å
499G40.9Very low46Very low72 Ų72141.6 Ų141.674%0.74278%0.778SS**  trans-81.2138.8160.100000111.4Q497Q497-G499 PolarHBondContact O-N 3.02Å
500E39.2Very low45.5Very low160 Ų160147.9 Ų147.975%0.74880%0.799SS**  trans-147.2155.2151.7-95.9-164.6111.400108.8K498K498-E500 IonicContact NZ-OE2 2.61Å
501P52.7Low45.4Very low113 Ų113145.6 Ų145.673%0.73480%0.801SS**PPolyproline II helixtrans-85.2136.4-159.232-35.4000114.2
502S35.5Very low45.6Very low120 Ų120148.8 Ų148.884%0.83981%0.808SS**PPolyproline II helixtrans-82.1125.4167.5-165.10000110.6
503V42.9Very low45.4Very low119 Ų119147.3 Ų147.372%0.72181%0.811SS**PPolyproline II helixtrans-78.2136-175.7-87.20000112.8T505V503-T505 PolarHBondContact O-N 3.21Å; V503-T505 VanDerWaalsContact O-N 3.11Å
504I50.3Low45.4Very low172 Ų172151.8 Ų151.888%0.88282%0.817SS**  trans-8478.3177.1-52.8170.9000109.9
505T47.6Very low45Very low118 Ų118159 Ų15972%0.72485%0.846SS**  trans-156.590.6164.347.20000111.9V503V503-T505 PolarHBondContact O-N 3.21Å; V503-T505 VanDerWaalsContact O-N 3.11Å
506E41.4Very low44.9Very low184 Ų184159 Ų15986%0.8685%0.847SS**  trans-165120.2131-140.7157.682.100109.8
507S45.9Very low44.9Very low131 Ų131161.5 Ų161.592%0.91686%0.855SS**  trans-139.832.2179.8-60.40000111.6
508L49.7Very low44.7Very low157 Ų157159.2 Ų159.282%0.82285%0.85SS**  trans-155.583.2-175.8-174.569.5000111.7
509E45.4Very low44.9Very low180 Ų180158.5 Ų158.584%0.84186%0.857SS**  trans-171.765.3131.4-167.9150.2-164.400111.7
510M40.1Very low45.2Very low195 Ų195163.9 Ų163.996%0.96186%0.864SS**  trans-134.872.3163.4-83.4-158.7-70.400110.8
511A53.2Low45.6Very low99 Ų99164.2 Ų164.282%0.81887%0.872SS**  trans-145.742177.300000112.1
512K51.9Low45.1Very low201 Ų201167.9 Ų167.987%0.87488%0.882SS**  trans-151.331.9-178-134.7174.2-172.11760119.2
513E45Very low45.8Very low185 Ų185171.5 Ų171.586%0.86489%0.885SS**SBendtrans-14990.2152.9-153.8-178.3122.300113.7
514R45.3Very low46Very low233 Ų233175.9 Ų175.988%0.87990%0.898SS**  trans179126.4138.7-100.6163.8-170.3-161.71.8110.7
515L36.5Very low45.6Very low256 Ų256176.3 Ų176.3100%1.3490%0.9SS**  trans65.90-179.6-69.9143.3000114.5

Retrieved 515 of 515 residues in 594.8 ms (Link to these results)