A0A087YEV3_POEFO Loading...

Serine/threonine-protein phosphatase 1 regulatory subunit 10

AlphaFold DB , UniProt , Accession A0A087YEV3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 805 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
1M37.5Very low75.5Confident241 Ų241111.3 Ų111.3100%1.18761%0.605SS**  0111.60-69.5172.1173.200108.5K3M1-K3 PolarHBondContact O-N 2.91Å
2A41Very low76.8Confident108 Ų108107 Ų10789%0.89358%0.581SS**  trans-76.5117.6169.300000108.6G4A2-G4 PolarHBondContact O-N 3.01Å
3K60.6Low77.9Confident187 Ų187110.9 Ų110.981%0.81359%0.589SS**  trans-73.7117.2169.6-77.9-170.9175-174.40108.1M1 K43M1-K3 PolarHBondContact O-N 2.91Å; K3-K43 PolarHBondContact O-NZ 3.38Å
4G73.9Confident78.7Confident49 Ų49107.4 Ų107.451%0.50559%0.592SS.*  trans-61-165.7-179.800000115.3A2 K43A2-G4 PolarHBondContact O-N 3.01Å; G4-K43 PolarHBondContact O-NZ 3.33Å
5P79.9Confident79.7Confident134 Ų134100.5 Ų100.587%0.8756%0.555SS**PPolyproline II helixtrans-54.9150.5173.725.8-34.6000110.5
6V85.3Confident80.6Confident38 Ų38102.1 Ų102.123%0.2356%0.557CS.*PPolyproline II helixtrans-90.8121.4178.9-169.50000108.5P8 I11 K43 V45V6-P8 WeakPolarHBondContact O-CD 3.3Å; V6-I11 HydrophobicContact CG1-CD1 3.48Å; V6-I11 VanDerWaalsContact CG1-CD1 3.48Å; V6-I11 HydrophobicContact CG1-CG1 3.96Å; V6-K43 HydrophobicContact CG2-CB 4.23Å; V6-K43 HydrophobicContact CG2-CD 3.12Å; V6-K43 HydrophobicContact CG2-CG 4.3Å; V6-V45 HydrophobicContact CB-CB 4.4Å; V6-V45 HydrophobicContact CG1-CG1 4.48Å
7D89Confident81.4Confident65 Ų65102.3 Ų102.335%0.34858%0.575SS.*PPolyproline II helixtrans-76.3122.4165.8-173.1-7.6000109.4R9 E10D7-R9 PolarHBondContact O-N 2.87Å; D7-R9 VanDerWaalsContact O-N 3.16Å; D7-R9 VanDerWaalsContact OD1-CB 3.26Å; D7-R9 WeakPolarHBondContact OD1-CB 3.46Å; D7-R9 VanDerWaalsContact OD1-CG 3.26Å; D7-R9 WeakPolarHBondContact OD1-CG 3.35Å; D7-R9 PolarHBondContact OD1-N 3.27Å; D7-E10 HydrophobicContact CB-CB 4.34Å; D7-E10 HydrophobicContact CB-CG 4.03Å; D7-E10 PolarHBondContact O-N 3.3Å
8P90.5Very high82.1Confident55 Ų5598.4 Ų98.436%0.35755%0.552SS.*Hα-helixtrans-50.8-30.4167.6-26.535.3000113.8V6 I11 L12 V45 M49V6-P8 WeakPolarHBondContact O-CD 3.3Å; P8-I11 PolarHBondContact O-N 3.18Å; P8-L12 PolarHBondContact O-N 3.15Å; P8-V45 HydrophobicContact CB-CG1 4.37Å; P8-V45 HydrophobicContact CG-CG1 3.87Å; P8-M49 HydrophobicContact CB-CE 4.11Å; P8-M49 HydrophobicContact CB-CG 4.25Å; P8-M49 HydrophobicContact CB-SD 3.93Å
9R90.4Very high82.8Confident197 Ų19794.4 Ų94.474%0.74353%0.53SS*.Hα-helixtrans-72.5-36.1-179.2-56.1170.3174.2-157.2-2.5112.3D7 I11 L12 K13D7-R9 PolarHBondContact O-N 2.87Å; D7-R9 VanDerWaalsContact O-N 3.16Å; D7-R9 VanDerWaalsContact OD1-CB 3.26Å; D7-R9 WeakPolarHBondContact OD1-CB 3.46Å; D7-R9 VanDerWaalsContact OD1-CG 3.26Å; D7-R9 WeakPolarHBondContact OD1-CG 3.35Å; D7-R9 PolarHBondContact OD1-N 3.27Å; R9-I11 VanDerWaalsContact C-N 3.31Å; R9-I11 PolarHBondContact O-N 3.05Å; R9-L12 PolarHBondContact O-N 3.08Å; R9-K13 VanDerWaalsContact O-CB 3.3Å; R9-K13 WeakPolarHBondContact O-CB 3.48Å; R9-K13 PolarHBondContact O-N 3.21Å
10E90.9Very high83.3Confident135 Ų13590.4 Ų90.463%0.63151%0.51SS*.Hα-helixtrans-61.8-41.1173.2-76-176159.200111.4D7 K13 G14D7-E10 HydrophobicContact CB-CB 4.34Å; D7-E10 HydrophobicContact CB-CG 4.03Å; D7-E10 PolarHBondContact O-N 3.3Å; E10-K13 PolarHBondContact O-N 3.23Å; E10-G14 PolarHBondContact O-N 2.81Å
11I91.3Very high83.7Confident15 Ų1595.2 Ų95.28%0.07753%0.526CS..Hα-helixtrans-61.1-47.1176.2-63.1155.4000110.5V6 P8 R9 G14 V45 S46 M49 Y50V6-I11 HydrophobicContact CG1-CD1 3.48Å; V6-I11 VanDerWaalsContact CG1-CD1 3.48Å; V6-I11 HydrophobicContact CG1-CG1 3.96Å; P8-I11 PolarHBondContact O-N 3.18Å; R9-I11 VanDerWaalsContact C-N 3.31Å; R9-I11 PolarHBondContact O-N 3.05Å; I11-G14 PolarHBondContact O-N 2.71Å; I11-V45 HydrophobicContact CD1-CB 4.35Å; I11-V45 HydrophobicContact CD1-CG1 3.77Å; I11-S46 WeakPolarHBondContact CD1-OG 3.26Å; I11-M49 HydrophobicContact CD1-CG 4.1Å; I11-M49 HydrophobicContact CG2-CB 3.93Å; I11-M49 HydrophobicContact CG2-CG 4.41Å; I11-Y50 HydrophobicContact CG2-CD1 4.43Å; I11-Y50 HydrophobicContact CG2-CE1 3.71Å; I11-Y50 HydrophobicContact CG2-CE2 4.42Å
12L91.1Very high86.2Confident60 Ų6087.9 Ų87.931%0.31449%0.491SS..Hα-helixtrans-66.6-42.3178.5-70.7178.7000112.3P8 R9 G14 V15 E16 L19 M49 V53P8-L12 PolarHBondContact O-N 3.15Å; R9-L12 PolarHBondContact O-N 3.08Å; L12-G14 PolarHBondContact O-N 3.28Å; L12-V15 CarbonylContact O-C 3.49Å; L12-V15 VanDerWaalsContact O-CG2 3.29Å; L12-V15 WeakPolarHBondContact O-CG2 3.42Å; L12-V15 PolarHBondContact O-N 3.15Å; L12-E16 PolarHBondContact O-N 3.4Å; L12-L19 HydrophobicContact CD2-CD1 3.94Å; L12-M49 HydrophobicContact CD1-CE 3.56Å; L12-M49 HydrophobicContact CD2-CE 3.93Å; L12-M49 HydrophobicContact CG-CE 3.69Å; L12-V53 HydrophobicContact CD2-CG2 4.26Å
13K91.5Very high88.7Confident158 Ų15884 Ų8469%0.68746%0.461SS*.Hα-helixtrans-57.9-37176.1-170.4173.2-175.9177.20112R9 E10 V15 E16R9-K13 VanDerWaalsContact O-CB 3.3Å; R9-K13 WeakPolarHBondContact O-CB 3.48Å; R9-K13 PolarHBondContact O-N 3.21Å; E10-K13 PolarHBondContact O-N 3.23Å; K13-V15 PolarHBondContact O-N 3Å; K13-E16 PolarHBondContact O-N 3.29Å
14G89.2Confident90.4Very high62 Ų6276.7 Ų76.764%0.63943%0.43SS*.THydrogen-bonded Turntrans-65.1-13.3173.900000115.5E10 I11 L12E10-G14 PolarHBondContact O-N 2.81Å; I11-G14 PolarHBondContact O-N 2.71Å; L12-G14 PolarHBondContact O-N 3.28Å
15V93.6Very high91.4Very high4 Ų474.6 Ų74.62%0.02441%0.407CS..THydrogen-bonded Turntrans-125.42.8176.5-64.40000113.8L12 K13 A17 L18 L19 V34 L37 Y50L12-V15 CarbonylContact O-C 3.49Å; L12-V15 VanDerWaalsContact O-CG2 3.29Å; L12-V15 WeakPolarHBondContact O-CG2 3.42Å; L12-V15 PolarHBondContact O-N 3.15Å; K13-V15 PolarHBondContact O-N 3Å; V15-A17 VanDerWaalsContact C-N 3.32Å; V15-A17 PolarHBondContact O-N 3.05Å; V15-L18 WeakPolarHBondContact O-CA 3.42Å; V15-L18 VanDerWaalsContact O-CB 3.28Å; V15-L18 WeakPolarHBondContact O-CB 3.28Å; V15-L18 PolarHBondContact O-N 3.22Å; V15-L19 HydrophobicContact CG2-CD1 3.86Å; V15-L19 HydrophobicContact CG2-CD2 4.35Å; V15-L19 HydrophobicContact CG2-CG 4.06Å; V15-L19 PolarHBondContact O-N 2.94Å; V15-V34 HydrophobicContact CG1-CG2 4.15Å; V15-L37 HydrophobicContact CG1-CD1 3.44Å; V15-L37 VanDerWaalsContact CG1-CD1 3.44Å; V15-Y50 HydrophobicContact CG1-CE1 4.05Å
16E93.7Very high92Very high126 Ų12674.9 Ų74.959%0.58939%0.391SS*.G310 helixtrans-53.3-43.1-168.6-175.5173.4-177.700113.3L12 K13 L18 L19L12-E16 PolarHBondContact O-N 3.4Å; K13-E16 PolarHBondContact O-N 3.29Å; E16-L18 PolarHBondContact O-N 3.43Å; E16-L19 PolarHBondContact O-N 3.47Å
17A94.4Very high92.3Very high105 Ų10575.3 Ų75.387%0.86840%0.396SS*.G310 helixtrans-65.1-8.5176.400000114.9V15V15-A17 VanDerWaalsContact C-N 3.32Å; V15-A17 PolarHBondContact O-N 3.05Å
18L94.1Very high92.6Very high32 Ų3276.3 Ų76.317%0.16840%0.4CS..G310 helixtrans-103.5-11.7175.4-48.2177.7000112.4V15 E16 L25 R26 K33 V34V15-L18 WeakPolarHBondContact O-CA 3.42Å; V15-L18 VanDerWaalsContact O-CB 3.28Å; V15-L18 WeakPolarHBondContact O-CB 3.28Å; V15-L18 PolarHBondContact O-N 3.22Å; E16-L18 PolarHBondContact O-N 3.43Å; L18-L25 HydrophobicContact CB-CD2 4.21Å; L18-R26 PolarHBondContact O-N 2.87Å; L18-K33 HydrophobicContact CD1-CB 3.85Å; L18-K33 HydrophobicContact CD1-CD 4.16Å; L18-K33 HydrophobicContact CD2-CD 4.17Å; L18-V34 HydrophobicContact CD1-CG2 4.01Å
19L95.4Very high92.8Very high23 Ų2380.5 Ų80.512%0.1242%0.415CS..BIsolated β-bridgetrans-96.5164-172.8-62.1-169.3000113.4L12 V15 E16 E24 V53L12-L19 HydrophobicContact CD2-CD1 3.94Å; V15-L19 HydrophobicContact CG2-CD1 3.86Å; V15-L19 HydrophobicContact CG2-CD2 4.35Å; V15-L19 HydrophobicContact CG2-CG 4.06Å; V15-L19 PolarHBondContact O-N 2.94Å; E16-L19 PolarHBondContact O-N 3.47Å; L19-E24 CarbonylContact C-O 3.44Å; L19-E24 VanDerWaalsContact CA-O 3.24Å; L19-E24 WeakPolarHBondContact CA-O 3.24Å; L19-V53 HydrophobicContact CD1-CG2 4.14Å; L19-V53 HydrophobicContact CD2-CB 4.38Å; L19-V53 HydrophobicContact CD2-CG1 3.53Å; L19-V53 HydrophobicContact CD2-CG2 3.88Å
20G92.9Very high92.9Very high13 Ų1371.1 Ų71.113%0.13438%0.38CS..  trans-98.9174.1171.200000114.4D22 G23 E24 R26G20-D22 PolarHBondContact O-N 2.82Å; G20-G23 PolarHBondContact O-N 3.01Å; G20-E24 PolarHBondContact N-O 3.07Å; G20-R26 VanDerWaalsContact CA-NE 3.26Å
21K90.9Very high93.3Very high193 Ų19364.7 Ų64.784%0.83935%0.35SS*.THydrogen-bonded Turntrans-54.2-32.8172.7-72.2-179.8175.4-175.60111.4
22D91.4Very high93.5Very high87 Ų8766.2 Ų66.247%0.46536%0.361SS..THydrogen-bonded Turntrans-88.93.4-179.2-5621.7000113.3G20 E24 Q56 K58G20-D22 PolarHBondContact O-N 2.82Å; D22-E24 VanDerWaalsContact C-N 3.26Å; D22-E24 HydrophobicContact CB-CG 4.3Å; D22-E24 PolarHBondContact O-N 3.07Å; D22-Q56 WeakPolarHBondContact O-CG 3.33Å; D22-K58 IonicContact OD2-NZ 2.69Å; D22-K58 PolarHBondContact OD2-NZ 3.23Å
23G92.9Very high93.8Very high25 Ų2568.9 Ų68.926%0.25837%0.37SS..SBendtrans77.34-17300000115.3G20G20-G23 PolarHBondContact O-N 3.01Å
24E95.4Very high94Very high34 Ų3461.4 Ų61.416%0.15934%0.337CS..  trans-71151.5176.962.7-171.5-17900113.4L19 G20 D22 R26 Q56 K58L19-E24 CarbonylContact C-O 3.44Å; L19-E24 VanDerWaalsContact CA-O 3.24Å; L19-E24 WeakPolarHBondContact CA-O 3.24Å; G20-E24 PolarHBondContact N-O 3.07Å; D22-E24 VanDerWaalsContact C-N 3.26Å; D22-E24 HydrophobicContact CB-CG 4.3Å; D22-E24 PolarHBondContact O-N 3.07Å; E24-R26 PolarHBondContact O-N 3.34Å; E24-Q56 HydrophobicContact CB-CB 4.15Å; E24-Q56 WeakPolarHBondContact CB-O 3.3Å; E24-K58 IonicContact OE2-NZ 3.99Å; E24-K58 PolarHBondContact OE2-NZ 3.21Å
25L95.6Very high94.4Very high6 Ų660.2 Ų60.23%0.03132%0.315CS..BIsolated β-bridgetrans-71.4127.4167.6-100.4159000110.5L18 V31 V34 V53 L54 T57 I62L18-L25 HydrophobicContact CB-CD2 4.21Å; L25-V31 HydrophobicContact CD1-CG2 4.47Å; L25-V34 HydrophobicContact CD1-CB 4.21Å; L25-V34 HydrophobicContact CD1-CG1 4.28Å; L25-V34 HydrophobicContact CD1-CG2 4.19Å; L25-V34 HydrophobicContact CD2-CG2 3.95Å; L25-V34 HydrophobicContact CG-CG2 4.35Å; L25-V53 HydrophobicContact CB-CG1 4.48Å; L25-V53 HydrophobicContact CD1-CG1 4.05Å; L25-V53 HydrophobicContact CG-CG1 3.85Å; L25-L54 HydrophobicContact CD1-CD2 4.34Å; L25-T57 HydrophobicContact CB-CG2 4.11Å; L25-T57 PolarHBondContact N-OG1 3.44Å; L25-I62 HydrophobicContact CB-CG2 3.8Å; L25-I62 WeakPolarHBondContact O-CD1 3.34Å
26R92.8Very high94.6Very high140 Ų14063.5 Ų63.553%0.52834%0.338SS..  trans-96.4-23.3-177.6-82.6-172.9166.8154.7-3.3116.2L18 G20 E24L18-R26 PolarHBondContact O-N 2.87Å; G20-R26 VanDerWaalsContact CA-NE 3.26Å; E24-R26 PolarHBondContact O-N 3.34Å
27S92.1Very high94.7Very high47 Ų4760.8 Ų60.833%0.32933%0.327SS..  trans-129.4142.4-172.9174.80000112.9E29 G30S27-E29 PolarHBondContact O-N 2.83Å; S27-E29 PolarHBondContact OG-N 3.32Å; S27-E29 VanDerWaalsContact OG-N 3.15Å; S27-G30 PolarHBondContact O-N 3.47Å
28L95.2Very high94.9Very high85 Ų8555.8 Ų55.845%0.44529%0.286SS..THydrogen-bonded Turntrans-60-26.9171.8-68168.4000112.7P32 D61 I62 R65L28-P32 WeakPolarHBondContact O-CD 3.46Å; L28-D61 HydrophobicContact CD2-CB 4.22Å; L28-D61 WeakPolarHBondContact CD2-O 3.26Å; L28-I62 HydrophobicContact CD2-CG1 3.97Å; L28-I62 HydrophobicContact CG-CG1 4.39Å; L28-R65 HydrophobicContact CD2-CB 3.83Å; L28-R65 HydrophobicContact CD2-CG 4.24Å
29E93.8Very high95Very high144 Ų14461.7 Ų61.767%0.67331%0.31SS*.THydrogen-bonded Turntrans-78.2-21.1173.5-63.3-161.9130.800113.7S27 V31 P32S27-E29 PolarHBondContact O-N 2.83Å; S27-E29 PolarHBondContact OG-N 3.32Å; S27-E29 VanDerWaalsContact OG-N 3.15Å; E29-V31 VanDerWaalsContact C-N 3.26Å; E29-P32 WeakPolarHBondContact O-CD 3.24Å
30G93.7Very high95Very high0 Ų064.1 Ų64.10%033%0.333CS..Hα-helixtrans-70.3-27.617300000112S27 K33 V34S27-G30 PolarHBondContact O-N 3.47Å; G30-K33 WeakPolarHBondContact O-CB 3.38Å; G30-K33 PolarHBondContact O-N 3.17Å; G30-V34 PolarHBondContact O-N 3.02Å
31V97.5Very high95.1Very high0 Ų064 Ų640%033%0.33CS..Hα-helixtrans-63-48-172.9-176.70000113.7L25 E29 K33 F35 I62 R65 F66 V69L25-V31 HydrophobicContact CD1-CG2 4.47Å; E29-V31 VanDerWaalsContact C-N 3.26Å; V31-K33 VanDerWaalsContact C-N 3.29Å; V31-K33 PolarHBondContact O-N 3Å; V31-F35 VanDerWaalsContact O-CB 3.22Å; V31-F35 WeakPolarHBondContact O-CB 3.23Å; V31-F35 PolarHBondContact O-N 2.96Å; V31-I62 HydrophobicContact CG2-CB 4.41Å; V31-I62 HydrophobicContact CG2-CG2 3.46Å; V31-I62 VanDerWaalsContact CG2-CG2 3.46Å; V31-R65 HydrophobicContact CB-CB 4.43Å; V31-R65 HydrophobicContact CB-CG 3.9Å; V31-R65 HydrophobicContact CG1-CB 4.26Å; V31-R65 HydrophobicContact CG1-CG 3.98Å; V31-R65 HydrophobicContact CG2-CB 4.32Å; V31-R65 HydrophobicContact CG2-CG 4.19Å; V31-F66 VanDerWaalsContact CG1-CA 3.45Å; V31-F66 HydrophobicContact CG1-CB 3.76Å; V31-F66 HydrophobicContact CG1-CD2 4.26Å; V31-V69 HydrophobicContact CG1-CG2 4.21Å
32P97.4Very high95.1Very high47 Ų4760.3 Ų60.331%0.30532%0.324SS..Hα-helixtrans-62.7-35.4174.8-2133.1000112.8L28 E29 S36 V69L28-P32 WeakPolarHBondContact O-CD 3.46Å; E29-P32 WeakPolarHBondContact O-CD 3.24Å; P32-S36 WeakPolarHBondContact O-CB 3.5Å; P32-S36 PolarHBondContact O-N 3.39Å; P32-V69 HydrophobicContact CG-CG1 4.31Å
33K95.9Very high95.1Very high116 Ų11659.9 Ų59.950%0.50432%0.318SS..Hα-helixtrans-66-52.1179.6-62.1173.6-177.4172.50110.5L18 G30 V31 S36 L37L18-K33 HydrophobicContact CD1-CB 3.85Å; L18-K33 HydrophobicContact CD1-CD 4.16Å; L18-K33 HydrophobicContact CD2-CD 4.17Å; G30-K33 WeakPolarHBondContact O-CB 3.38Å; G30-K33 PolarHBondContact O-N 3.17Å; V31-K33 VanDerWaalsContact C-N 3.29Å; V31-K33 PolarHBondContact O-N 3Å; K33-S36 PolarHBondContact O-N 3.21Å; K33-L37 WeakPolarHBondContact O-CG 3.41Å; K33-L37 PolarHBondContact O-N 3.44Å
34V96.8Very high95.2Very high1 Ų161.6 Ų61.61%0.00632%0.32CS..Hα-helixtrans-63.5-41.2175.5175.80000111.5V15 L18 L25 G30 S36 L37 M38 Y50V15-V34 HydrophobicContact CG1-CG2 4.15Å; L18-V34 HydrophobicContact CD1-CG2 4.01Å; L25-V34 HydrophobicContact CD1-CB 4.21Å; L25-V34 HydrophobicContact CD1-CG1 4.28Å; L25-V34 HydrophobicContact CD1-CG2 4.19Å; L25-V34 HydrophobicContact CD2-CG2 3.95Å; L25-V34 HydrophobicContact CG-CG2 4.35Å; G30-V34 PolarHBondContact O-N 3.02Å; V34-S36 VanDerWaalsContact C-N 3.34Å; V34-S36 PolarHBondContact O-N 3.01Å; V34-L37 PolarHBondContact O-N 2.92Å; V34-M38 HydrophobicContact CG1-CG 4.33Å; V34-M38 HydrophobicContact CG1-SD 4.26Å; V34-M38 VanDerWaalsContact O-CG 3.3Å; V34-M38 WeakPolarHBondContact O-CG 3.22Å; V34-M38 PolarHBondContact O-N 3.22Å; V34-Y50 HydrophobicContact CG1-CD1 4.18Å
35F97.9Very high95.1Very high37 Ų3762.7 Ų62.716%0.16233%0.329CS..Hα-helixtrans-60.8-40175.4171.1-105.9000112.8V31 M38 K39 F66 V69 L74V31-F35 VanDerWaalsContact O-CB 3.22Å; V31-F35 WeakPolarHBondContact O-CB 3.23Å; V31-F35 PolarHBondContact O-N 2.96Å; F35-M38 WeakPolarHBondContact O-CB 3.41Å; F35-M38 PolarHBondContact O-N 3.26Å; F35-K39 WeakPolarHBondContact O-CB 3.21Å; F35-K39 PolarHBondContact O-N 3.22Å; F35-F66 HydrophobicContact CB-CE2 4.43Å; F35-F66 HydrophobicContact CD2-CE2 4.1Å; F35-V69 HydrophobicContact CB-CG2 3.86Å; F35-V69 HydrophobicContact CD1-CB 4.22Å; F35-V69 HydrophobicContact CD1-CG2 3.91Å; F35-V69 HydrophobicContact CD2-CG2 4.22Å; F35-V69 WeakPolarHBondContact CE1-O 3.49Å; F35-V69 HydrophobicContact CG-CG2 3.71Å; F35-V69 VanDerWaalsContact CZ-O 3.31Å; F35-V69 WeakPolarHBondContact CZ-O 3.38Å; F35-L74 HydrophobicContact CD2-CD2 4.14Å; F35-L74 HydrophobicContact CE2-CB 3.99Å; F35-L74 HydrophobicContact CE2-CD2 3.91Å
36S97.4Very high95.1Very high73 Ų7363.2 Ų63.251%0.5133%0.333SS..Hα-helixtrans-63.7-45.6175-1680000111.5P32 K33 V34 M38 K39 A40P32-S36 WeakPolarHBondContact O-CB 3.5Å; P32-S36 PolarHBondContact O-N 3.39Å; K33-S36 PolarHBondContact O-N 3.21Å; V34-S36 VanDerWaalsContact C-N 3.34Å; V34-S36 PolarHBondContact O-N 3.01Å; S36-M38 VanDerWaalsContact C-N 3.34Å; S36-M38 PolarHBondContact O-N 2.93Å; S36-K39 PolarHBondContact O-N 2.69Å; S36-A40 WeakPolarHBondContact O-CB 3.33Å; S36-A40 PolarHBondContact O-N 3.19Å
37L96.1Very high95.2Very high69 Ų6958.2 Ų58.236%0.36131%0.314SS..Hα-helixtrans-63.5-36.6175.6-68.7171000112.8V15 K33 V34 S41 Y50V15-L37 HydrophobicContact CG1-CD1 3.44Å; V15-L37 VanDerWaalsContact CG1-CD1 3.44Å; K33-L37 WeakPolarHBondContact O-CG 3.41Å; K33-L37 PolarHBondContact O-N 3.44Å; V34-L37 PolarHBondContact O-N 2.92Å; L37-S41 WeakPolarHBondContact O-CB 3.44Å; L37-S41 PolarHBondContact O-N 2.92Å; L37-Y50 HydrophobicContact CB-CE1 4.37Å; L37-Y50 HydrophobicContact CB-CE2 4.07Å
38M97.3Very high95.4Very high0 Ų057.6 Ų57.60%031%0.31CS..Hα-helixtrans-61.8-51.8169.8-72.717881.200110.8V34 F35 S36 A40 S41 Y50 L51 L54 F66 L74 W78V34-M38 HydrophobicContact CG1-CG 4.33Å; V34-M38 HydrophobicContact CG1-SD 4.26Å; V34-M38 VanDerWaalsContact O-CG 3.3Å; V34-M38 WeakPolarHBondContact O-CG 3.22Å; V34-M38 PolarHBondContact O-N 3.22Å; F35-M38 WeakPolarHBondContact O-CB 3.41Å; F35-M38 PolarHBondContact O-N 3.26Å; S36-M38 VanDerWaalsContact C-N 3.34Å; S36-M38 PolarHBondContact O-N 2.93Å; M38-A40 PolarHBondContact O-N 3.28Å; M38-S41 WeakPolarHBondContact O-CB 3.29Å; M38-S41 PolarHBondContact O-N 3.41Å; M38-S41 PolarHBondContact O-OG 3.29Å; M38-Y50 HydrophobicContact CB-CD2 4.3Å; M38-Y50 HydrophobicContact CG-CD2 3.58Å; M38-Y50 HydrophobicContact CG-CG 3.62Å; M38-L51 HydrophobicContact CE-CD2 4.29Å; M38-L54 HydrophobicContact CE-CD1 3.71Å; M38-L54 HydrophobicContact SD-CD1 3.89Å; M38-F66 HydrophobicContact CE-CE2 4.36Å; M38-F66 HydrophobicContact CE-CZ 4.08Å; M38-F66 HydrophobicContact SD-CE2 3.68Å; M38-F66 HydrophobicContact SD-CZ 4.01Å; M38-L74 HydrophobicContact CB-CD2 3.71Å; M38-W78 HydrophobicContact CB-CH2 3.93Å; M38-W78 HydrophobicContact CB-CZ2 4.35Å; M38-W78 HydrophobicContact CE-CE3 4.47Å; M38-W78 HydrophobicContact CE-CH2 3.75Å; M38-W78 HydrophobicContact CE-CZ3 3.53Å; M38-W78 HydrophobicContact CG-CH2 4.24Å; M38-W78 WeakPolarHBondContact O-CZ2 3.3Å
39K97.2Very high95.5Very high155 Ų15555.1 Ų55.167%0.67430%0.296SS*.Hα-helixtrans-58-37179.6-172.2-174.2175-168.80112.1F35 S36 S41 L74F35-K39 WeakPolarHBondContact O-CB 3.21Å; F35-K39 PolarHBondContact O-N 3.22Å; S36-K39 PolarHBondContact O-N 2.69Å; K39-S41 VanDerWaalsContact C-N 3.31Å; K39-S41 PolarHBondContact O-N 3.41Å; K39-L74 HydrophobicContact CB-CD2 4.42Å
40A95.8Very high95.6Very high74 Ų7449.1 Ų49.161%0.61227%0.268SS*.THydrogen-bonded Turntrans-77.4-8.8176.200000114.5S36 M38 T42S36-A40 WeakPolarHBondContact O-CB 3.33Å; S36-A40 PolarHBondContact O-N 3.19Å; M38-A40 PolarHBondContact O-N 3.28Å; A40-T42 PolarHBondContact O-N 3.21Å
41S94Very high95.8Very high10 Ų1049.1 Ų49.17%0.0727%0.268CS..  trans-79.1104.8-172.7680000113.5L37 M38 K39 R47L37-S41 WeakPolarHBondContact O-CB 3.44Å; L37-S41 PolarHBondContact O-N 2.92Å; M38-S41 WeakPolarHBondContact O-CB 3.29Å; M38-S41 PolarHBondContact O-N 3.41Å; M38-S41 PolarHBondContact O-OG 3.29Å; K39-S41 VanDerWaalsContact C-N 3.31Å; K39-S41 PolarHBondContact O-N 3.41Å; S41-R47 PolarHBondContact O-NE 3.2Å; S41-R47 PolarHBondContact O-NH2 2.89Å; S41-R47 WeakPolarHBondContact OG-CG 3.5Å
42T90.6Very high95.8Very high116 Ų11652.4 Ų52.471%0.71229%0.285SS*.  trans-83.4-37.4173.754.10000112.8A40 R47A40-T42 PolarHBondContact O-N 3.21Å; T42-R47 PolarHBondContact O-NH2 3.36Å
43K92.5Very high95.7Very high78 Ų7850.4 Ų50.434%0.33927%0.272SS..SBendtrans-82.7138.5-175.8-63.9-166.5174.1-167.50112K3 G4 V6 V45 S46K3-K43 PolarHBondContact O-NZ 3.38Å; G4-K43 PolarHBondContact O-NZ 3.33Å; V6-K43 HydrophobicContact CG2-CB 4.23Å; V6-K43 HydrophobicContact CG2-CD 3.12Å; V6-K43 HydrophobicContact CG2-CG 4.3Å; K43-V45 PolarHBondContact O-N 3.26Å; K43-S46 WeakPolarHBondContact O-CB 3.37Å; K43-S46 PolarHBondContact O-N 3.06Å
44M93.8Very high95.8Very high62 Ų6245 Ų4531%0.30525%0.249SC..Hα-helixtrans-57.6-46.4-173.1-167.46673.600113.5S46 R47 C48 Y81 L90M44-S46 VanDerWaalsContact C-N 3.28Å; M44-S46 PolarHBondContact O-N 3.21Å; M44-R47 WeakPolarHBondContact O-CB 3.23Å; M44-R47 PolarHBondContact O-N 3.02Å; M44-C48 PolarHBondContact O-N 2.81Å; M44-C48 VanDerWaalsContact O-N 3.14Å; M44-Y81 HydrophobicContact CE-CE1 4.19Å; M44-L90 HydrophobicContact CE-CD2 4.37Å; M44-L90 HydrophobicContact SD-CB 4.45Å; M44-L90 HydrophobicContact SD-CD2 3.66Å; M44-L90 HydrophobicContact SD-CG 4.45Å
45V94.5Very high95.8Very high56 Ų5646.4 Ų46.434%0.33926%0.256SS..Hα-helixtrans-52-47.4179.5-178.40000111.1V6 P8 I11 K43 R47 C48 M49V6-V45 HydrophobicContact CB-CB 4.4Å; V6-V45 HydrophobicContact CG1-CG1 4.48Å; P8-V45 HydrophobicContact CB-CG1 4.37Å; P8-V45 HydrophobicContact CG-CG1 3.87Å; I11-V45 HydrophobicContact CD1-CB 4.35Å; I11-V45 HydrophobicContact CD1-CG1 3.77Å; K43-V45 PolarHBondContact O-N 3.26Å; V45-R47 VanDerWaalsContact C-N 3.33Å; V45-R47 PolarHBondContact O-N 2.73Å; V45-C48 PolarHBondContact O-N 2.9Å; V45-M49 HydrophobicContact CG1-CG 4.3Å; V45-M49 WeakPolarHBondContact O-CG 3.33Å; V45-M49 PolarHBondContact O-N 2.78Å
46S94.8Very high95.7Very high18 Ų1849.6 Ų49.613%0.12627%0.271CS..Hα-helixtrans-59-40.9178.9-52.20000112.8I11 K43 M44 M49 Y50I11-S46 WeakPolarHBondContact CD1-OG 3.26Å; K43-S46 WeakPolarHBondContact O-CB 3.37Å; K43-S46 PolarHBondContact O-N 3.06Å; M44-S46 VanDerWaalsContact C-N 3.28Å; M44-S46 PolarHBondContact O-N 3.21Å; S46-M49 PolarHBondContact O-N 3.46Å; S46-Y50 WeakPolarHBondContact O-CD2 3.15Å; S46-Y50 PolarHBondContact O-N 3.16Å; S46-Y50 VanDerWaalsContact O-N 3.12Å
47R95.6Very high95.7Very high34 Ų3446.3 Ų46.313%0.12825%0.248CC..Hα-helixtrans-62.6-47.7177.2-60.8-178.2-178.5160.60.9110.9S41 T42 M44 V45 M49 Y50 L51 W78S41-R47 PolarHBondContact O-NE 3.2Å; S41-R47 PolarHBondContact O-NH2 2.89Å; S41-R47 WeakPolarHBondContact OG-CG 3.5Å; T42-R47 PolarHBondContact O-NH2 3.36Å; M44-R47 WeakPolarHBondContact O-CB 3.23Å; M44-R47 PolarHBondContact O-N 3.02Å; V45-R47 VanDerWaalsContact C-N 3.33Å; V45-R47 PolarHBondContact O-N 2.73Å; R47-M49 PolarHBondContact O-N 3.49Å; R47-Y50 PolarHBondContact O-N 3.17Å; R47-L51 VanDerWaalsContact O-CG 3.26Å; R47-L51 WeakPolarHBondContact O-CG 3.32Å; R47-L51 PolarHBondContact O-N 2.8Å; R47-W78 HydrophobicContact CB-CE3 4.36Å; R47-W78 HydrophobicContact CB-CH2 3.83Å; R47-W78 HydrophobicContact CB-CZ2 4.37Å; R47-W78 HydrophobicContact CB-CZ3 3.82Å; R47-W78 HydrophobicContact CG-CH2 3.68Å; R47-W78 HydrophobicContact CG-CZ2 3.74Å; R47-W78 HydrophobicContact CG-CZ3 4.11Å
48C96.3Very high95.6Very high34 Ų3449 Ų4923%0.2326%0.257CS..Hα-helixtrans-63.1-41.5178.5-60.40000112.3M44 V45 Y50 L51 N52 L93M44-C48 PolarHBondContact O-N 2.81Å; M44-C48 VanDerWaalsContact O-N 3.14Å; V45-C48 PolarHBondContact O-N 2.9Å; C48-Y50 PolarHBondContact O-N 3.42Å; C48-L51 PolarHBondContact O-N 3.2Å; C48-N52 VanDerWaalsContact O-CG 3.3Å; C48-N52 PolarHBondContact O-N 3.01Å; C48-N52 PolarHBondContact O-ND2 3.48Å; C48-L93 HydrophobicContact CB-CD2 3.88Å
49M96.1Very high95.6Very high34 Ų3451.2 Ų51.217%0.16727%0.273CS..Hα-helixtrans-62.6-43.3177.7-65.6-46.1-69.800112.5P8 I11 L12 V45 S46 R47 N52 V53P8-M49 HydrophobicContact CB-CE 4.11Å; P8-M49 HydrophobicContact CB-CG 4.25Å; P8-M49 HydrophobicContact CB-SD 3.93Å; I11-M49 HydrophobicContact CD1-CG 4.1Å; I11-M49 HydrophobicContact CG2-CB 3.93Å; I11-M49 HydrophobicContact CG2-CG 4.41Å; L12-M49 HydrophobicContact CD1-CE 3.56Å; L12-M49 HydrophobicContact CD2-CE 3.93Å; L12-M49 HydrophobicContact CG-CE 3.69Å; V45-M49 HydrophobicContact CG1-CG 4.3Å; V45-M49 WeakPolarHBondContact O-CG 3.33Å; V45-M49 PolarHBondContact O-N 2.78Å; S46-M49 PolarHBondContact O-N 3.46Å; R47-M49 PolarHBondContact O-N 3.49Å; M49-N52 PolarHBondContact O-N 3.46Å; M49-V53 WeakPolarHBondContact O-CG2 3.49Å; M49-V53 PolarHBondContact O-N 2.93Å; M49-V53 VanDerWaalsContact O-N 3.09Å
50Y97Very high95.5Very high18 Ų1849.4 Ų49.47%0.07127%0.266CS..Hα-helixtrans-71.7-31.1177.2-59.3-47.3000113.3I11 V15 V34 L37 M38 S46 R47 C48 V53 L54I11-Y50 HydrophobicContact CG2-CD1 4.43Å; I11-Y50 HydrophobicContact CG2-CE1 3.71Å; I11-Y50 HydrophobicContact CG2-CE2 4.42Å; V15-Y50 HydrophobicContact CG1-CE1 4.05Å; V34-Y50 HydrophobicContact CG1-CD1 4.18Å; L37-Y50 HydrophobicContact CB-CE1 4.37Å; L37-Y50 HydrophobicContact CB-CE2 4.07Å; M38-Y50 HydrophobicContact CB-CD2 4.3Å; M38-Y50 HydrophobicContact CG-CD2 3.58Å; M38-Y50 HydrophobicContact CG-CG 3.62Å; S46-Y50 WeakPolarHBondContact O-CD2 3.15Å; S46-Y50 PolarHBondContact O-N 3.16Å; S46-Y50 VanDerWaalsContact O-N 3.12Å; R47-Y50 PolarHBondContact O-N 3.17Å; C48-Y50 PolarHBondContact O-N 3.42Å; Y50-V53 PolarHBondContact O-N 2.66Å; Y50-L54 WeakPolarHBondContact O-CG 3.31Å; Y50-L54 PolarHBondContact O-N 2.83Å; Y50-L54 VanDerWaalsContact O-N 3.15Å
51L97.7Very high95.5Very high0 Ų051.1 Ų51.10%027%0.265CS..Hα-helixtrans-64.4-42170.2-69.5167.8000111.1M38 R47 C48 V53 L54 L55 L75 W78 L90 L93 I94 T97M38-L51 HydrophobicContact CE-CD2 4.29Å; R47-L51 VanDerWaalsContact O-CG 3.26Å; R47-L51 WeakPolarHBondContact O-CG 3.32Å; R47-L51 PolarHBondContact O-N 2.8Å; C48-L51 PolarHBondContact O-N 3.2Å; L51-V53 PolarHBondContact O-N 3.45Å; L51-L54 WeakPolarHBondContact O-CB 3.35Å; L51-L54 PolarHBondContact O-N 3.12Å; L51-L54 VanDerWaalsContact O-N 3.13Å; L51-L55 WeakPolarHBondContact O-CG 3.46Å; L51-L55 PolarHBondContact O-N 3.39Å; L51-L75 HydrophobicContact CD2-CD2 3.48Å; L51-L75 VanDerWaalsContact CD2-CD2 3.48Å; L51-W78 HydrophobicContact CD1-CE3 4.29Å; L51-W78 HydrophobicContact CD1-CZ3 4.26Å; L51-W78 HydrophobicContact CD2-CE3 4.39Å; L51-W78 HydrophobicContact CD2-CZ3 4.25Å; L51-W78 HydrophobicContact CG-CE3 4.47Å; L51-W78 HydrophobicContact CG-CZ3 4.09Å; L51-L90 HydrophobicContact CD1-CD1 3.65Å; L51-L93 HydrophobicContact CB-CD2 3.72Å; L51-L93 HydrophobicContact CB-CG 3.92Å; L51-L93 HydrophobicContact CD1-CB 4.39Å; L51-L93 HydrophobicContact CD1-CD2 3.85Å; L51-L93 HydrophobicContact CD1-CG 4.13Å; L51-L93 HydrophobicContact CG-CD2 4.44Å; L51-I94 HydrophobicContact CD1-CG1 3.87Å; L51-I94 HydrophobicContact CD2-CG1 4.45Å; L51-T97 HydrophobicContact CD2-CG2 4.05Å
52N96.7Very high95.7Very high69 Ų6951.2 Ų51.237%0.36927%0.265SS..Hα-helixtrans-59.9-42.5174.5-72.2-22.6000112.4C48 M49 L54 L55 Q56C48-N52 VanDerWaalsContact O-CG 3.3Å; C48-N52 PolarHBondContact O-N 3.01Å; C48-N52 PolarHBondContact O-ND2 3.48Å; M49-N52 PolarHBondContact O-N 3.46Å; N52-L54 VanDerWaalsContact C-N 3.31Å; N52-L54 PolarHBondContact O-N 3.37Å; N52-L55 PolarHBondContact O-N 3.31Å; N52-Q56 WeakPolarHBondContact O-CG 3.34Å; N52-Q56 PolarHBondContact O-N 3.26Å; N52-Q56 VanDerWaalsContact O-N 3.07Å
53V96.4Very high96.1Very high5 Ų545.9 Ų45.93%0.0323%0.232CC..Hα-helixtrans-57.2-43.8173167.60000111.5L12 L19 L25 M49 Y50 L51 Q56 T57L12-V53 HydrophobicContact CD2-CG2 4.26Å; L19-V53 HydrophobicContact CD1-CG2 4.14Å; L19-V53 HydrophobicContact CD2-CB 4.38Å; L19-V53 HydrophobicContact CD2-CG1 3.53Å; L19-V53 HydrophobicContact CD2-CG2 3.88Å; L25-V53 HydrophobicContact CB-CG1 4.48Å; L25-V53 HydrophobicContact CD1-CG1 4.05Å; L25-V53 HydrophobicContact CG-CG1 3.85Å; M49-V53 WeakPolarHBondContact O-CG2 3.49Å; M49-V53 PolarHBondContact O-N 2.93Å; M49-V53 VanDerWaalsContact O-N 3.09Å; Y50-V53 PolarHBondContact O-N 2.66Å; L51-V53 PolarHBondContact O-N 3.45Å; V53-Q56 PolarHBondContact O-N 3.19Å; V53-T57 PolarHBondContact O-N 2.81Å; V53-T57 PolarHBondContact O-OG1 2.89Å
54L97.2Very high96.3Very high3 Ų343.9 Ų43.92%0.01623%0.225CC..Hα-helixtrans-67.1-37.3176.6-68.1171.4000112.6L25 M38 Y50 L51 N52 Q56 T57 F66 T97L25-L54 HydrophobicContact CD1-CD2 4.34Å; M38-L54 HydrophobicContact CE-CD1 3.71Å; M38-L54 HydrophobicContact SD-CD1 3.89Å; Y50-L54 WeakPolarHBondContact O-CG 3.31Å; Y50-L54 PolarHBondContact O-N 2.83Å; Y50-L54 VanDerWaalsContact O-N 3.15Å; L51-L54 WeakPolarHBondContact O-CB 3.35Å; L51-L54 PolarHBondContact O-N 3.12Å; L51-L54 VanDerWaalsContact O-N 3.13Å; N52-L54 VanDerWaalsContact C-N 3.31Å; N52-L54 PolarHBondContact O-N 3.37Å; L54-Q56 VanDerWaalsContact C-N 3.34Å; L54-Q56 PolarHBondContact O-N 3.02Å; L54-T57 WeakPolarHBondContact O-CB 3.3Å; L54-T57 PolarHBondContact O-N 3.5Å; L54-T57 VanDerWaalsContact O-N 3.13Å; L54-F66 HydrophobicContact CD1-CD1 4.34Å; L54-F66 HydrophobicContact CD1-CD2 4.37Å; L54-F66 HydrophobicContact CD1-CE1 3.77Å; L54-F66 HydrophobicContact CD1-CE2 3.81Å; L54-F66 HydrophobicContact CD1-CZ 3.47Å; L54-F66 VanDerWaalsContact CD1-CZ 3.47Å; L54-F66 HydrophobicContact CD2-CD1 4.31Å; L54-F66 HydrophobicContact CD2-CD2 3.95Å; L54-F66 HydrophobicContact CD2-CE2 4.2Å; L54-F66 HydrophobicContact CD2-CG 4.01Å; L54-F66 HydrophobicContact CD2-CZ 4.48Å; L54-T97 HydrophobicContact CB-CG2 4.09Å; L54-T97 HydrophobicContact CD1-CG2 4.16Å
55L97Very high96.5Very high30 Ų3046.5 Ų46.516%0.15723%0.232CC..Hα-helixtrans-65.2-34.8177.8-72.7170.9000113.1L51 N52 T57 L93 L96 K100L51-L55 WeakPolarHBondContact O-CG 3.46Å; L51-L55 PolarHBondContact O-N 3.39Å; N52-L55 PolarHBondContact O-N 3.31Å; L55-T57 VanDerWaalsContact C-N 3.33Å; L55-L93 HydrophobicContact CD1-CD1 3.5Å; L55-L93 HydrophobicContact CD1-CG 4.22Å; L55-L96 HydrophobicContact CD1-CB 4.41Å; L55-L96 HydrophobicContact CD2-CB 3.73Å; L55-K100 HydrophobicContact CD2-CG 3.86Å
56Q96.5Very high96.7Very high103 Ų10344 Ų4448%0.48122%0.216SC..Hα-helixtrans-78.1-15.6173.6-59.4-664100113.2D22 E24 N52 V53 L54 K58D22-Q56 WeakPolarHBondContact O-CG 3.33Å; E24-Q56 HydrophobicContact CB-CB 4.15Å; E24-Q56 WeakPolarHBondContact CB-O 3.3Å; N52-Q56 WeakPolarHBondContact O-CG 3.34Å; N52-Q56 PolarHBondContact O-N 3.26Å; N52-Q56 VanDerWaalsContact O-N 3.07Å; V53-Q56 PolarHBondContact O-N 3.19Å; L54-Q56 VanDerWaalsContact C-N 3.34Å; L54-Q56 PolarHBondContact O-N 3.02Å; Q56-K58 WeakPolarHBondContact O-CG 3.39Å; Q56-K58 PolarHBondContact O-N 3.39Å
57T96.6Very high96.8Very high5 Ų543.8 Ų43.83%0.03121%0.214CC..  trans-73.198.1-175-62.80000111.6L25 V53 L54 L55 I62 L63L25-T57 HydrophobicContact CB-CG2 4.11Å; L25-T57 PolarHBondContact N-OG1 3.44Å; V53-T57 PolarHBondContact O-N 2.81Å; V53-T57 PolarHBondContact O-OG1 2.89Å; L54-T57 WeakPolarHBondContact O-CB 3.3Å; L54-T57 PolarHBondContact O-N 3.5Å; L54-T57 VanDerWaalsContact O-N 3.13Å; L55-T57 VanDerWaalsContact C-N 3.33Å; T57-I62 HydrophobicContact CG2-CB 3.94Å; T57-I62 HydrophobicContact CG2-CG2 3.56Å; T57-L63 HydrophobicContact CG2-CD2 4.03Å; T57-L63 HydrophobicContact CG2-CG 4.19Å; T57-L63 WeakPolarHBondContact O-CD1 3.39Å
58K94.4Very high96.9Very high124 Ų12452 Ų5254%0.53924%0.244SC..  trans-73.8-27.9-176.3-46.1-173.5-17079.50113.7D22 E24 Q56 H60D22-K58 IonicContact OD2-NZ 2.69Å; D22-K58 PolarHBondContact OD2-NZ 3.23Å; E24-K58 IonicContact OE2-NZ 3.99Å; E24-K58 PolarHBondContact OE2-NZ 3.21Å; Q56-K58 WeakPolarHBondContact O-CG 3.39Å; Q56-K58 PolarHBondContact O-N 3.39Å; K58-H60 PolarHBondContact O-N 3.46Å
59S95.9Very high97Very high47 Ų4752.3 Ų52.333%0.32925%0.245SC..  trans-73.5119.1-174.2176.50000112.7D61 I62 L63S59-D61 VanDerWaalsContact C-N 3.29Å; S59-D61 PolarHBondContact O-N 2.94Å; S59-I62 PolarHBondContact O-N 3.24Å; S59-L63 WeakPolarHBondContact O-CG 3.46Å; S59-L63 PolarHBondContact O-N 2.82Å; S59-L63 VanDerWaalsContact O-N 3.13Å
60H95.8Very high97Very high117 Ų11751.5 Ų51.554%0.54225%0.246SC..Hα-helixtrans-64.6-30178.3-81.949.3000113K58 N64K58-H60 PolarHBondContact O-N 3.46Å; H60-N64 VanDerWaalsContact O-CB 3.3Å; H60-N64 WeakPolarHBondContact O-CB 3.5Å; H60-N64 PolarHBondContact O-N 3.32Å; H60-N64 PolarHBondContact O-ND2 2.82Å
61D96.9Very high97.1Very high111 Ų11150.7 Ų50.759%0.59424%0.243SC*.Hα-helixtrans-71.2-36.6178-65.4-56.4000112.1L28 S59 N64 R65L28-D61 HydrophobicContact CD2-CB 4.22Å; L28-D61 WeakPolarHBondContact CD2-O 3.26Å; S59-D61 VanDerWaalsContact C-N 3.29Å; S59-D61 PolarHBondContact O-N 2.94Å; D61-N64 PolarHBondContact O-N 3Å; D61-R65 WeakPolarHBondContact O-CB 3.46Å; D61-R65 PolarHBondContact O-N 2.84Å
62I97.6Very high97.1Very high11 Ų1150.9 Ų50.96%0.05624%0.243CC..Hα-helixtrans-67.3-42.9175.4-61.7-176.8000110.1L25 L28 V31 T57 S59 R65 F66L25-I62 HydrophobicContact CB-CG2 3.8Å; L25-I62 WeakPolarHBondContact O-CD1 3.34Å; L28-I62 HydrophobicContact CD2-CG1 3.97Å; L28-I62 HydrophobicContact CG-CG1 4.39Å; V31-I62 HydrophobicContact CG2-CB 4.41Å; V31-I62 HydrophobicContact CG2-CG2 3.46Å; V31-I62 VanDerWaalsContact CG2-CG2 3.46Å; T57-I62 HydrophobicContact CG2-CB 3.94Å; T57-I62 HydrophobicContact CG2-CG2 3.56Å; S59-I62 PolarHBondContact O-N 3.24Å; I62-R65 PolarHBondContact O-N 3.2Å; I62-F66 PolarHBondContact O-N 2.98Å
63L97.9Very high97.1Very high5 Ų555.5 Ų55.53%0.02626%0.256CS..Hα-helixtrans-65.9-39.7173.2-65.8178.7000112.7T57 S59 F66 I67 K100 L101 P102T57-L63 HydrophobicContact CG2-CD2 4.03Å; T57-L63 HydrophobicContact CG2-CG 4.19Å; T57-L63 WeakPolarHBondContact O-CD1 3.39Å; S59-L63 WeakPolarHBondContact O-CG 3.46Å; S59-L63 PolarHBondContact O-N 2.82Å; S59-L63 VanDerWaalsContact O-N 3.13Å; L63-F66 WeakPolarHBondContact O-CB 3.47Å; L63-F66 PolarHBondContact O-N 2.91Å; L63-I67 WeakPolarHBondContact O-CG1 3.02Å; L63-I67 PolarHBondContact O-N 3.18Å; L63-K100 WeakPolarHBondContact CD1-O 3.29Å; L63-L101 HydrophobicContact CB-CD2 4.14Å; L63-L101 HydrophobicContact CD2-CD2 4.01Å; L63-P102 HydrophobicContact CB-CG 4.13Å
64N97.6Very high97.2Very high36 Ų3656.3 Ų56.319%0.19326%0.26CS..Hα-helixtrans-62.9-41.4172.4-88.3-74.5000111.7H60 D61 F66 I67 R68H60-N64 VanDerWaalsContact O-CB 3.3Å; H60-N64 WeakPolarHBondContact O-CB 3.5Å; H60-N64 PolarHBondContact O-N 3.32Å; H60-N64 PolarHBondContact O-ND2 2.82Å; D61-N64 PolarHBondContact O-N 3Å; N64-F66 VanDerWaalsContact C-N 3.3Å; N64-F66 PolarHBondContact O-N 2.94Å; N64-I67 PolarHBondContact O-N 3.33Å; N64-R68 WeakPolarHBondContact O-CG 3.46Å; N64-R68 PolarHBondContact O-N 3.4Å
65R97.8Very high97.2Very high117 Ų11756.2 Ų56.244%0.44226%0.259SS..Hα-helixtrans-61.7-39174-174.866.7173.7-173.81.9110.9L28 V31 D61 I62 R68 V69L28-R65 HydrophobicContact CD2-CB 3.83Å; L28-R65 HydrophobicContact CD2-CG 4.24Å; V31-R65 HydrophobicContact CB-CB 4.43Å; V31-R65 HydrophobicContact CB-CG 3.9Å; V31-R65 HydrophobicContact CG1-CB 4.26Å; V31-R65 HydrophobicContact CG1-CG 3.98Å; V31-R65 HydrophobicContact CG2-CB 4.32Å; V31-R65 HydrophobicContact CG2-CG 4.19Å; D61-R65 WeakPolarHBondContact O-CB 3.46Å; D61-R65 PolarHBondContact O-N 2.84Å; I62-R65 PolarHBondContact O-N 3.2Å; R65-R68 PolarHBondContact O-N 2.64Å; R65-V69 PolarHBondContact O-N 3.3Å
66F98.4Very high97.3Very high2 Ų255.7 Ų55.71%0.00926%0.257CS..Hα-helixtrans-63.5-42.1177178.5-102.3000111.9V31 F35 M38 L54 I62 L63 N64 V69 G71 L75 L101V31-F66 VanDerWaalsContact CG1-CA 3.45Å; V31-F66 HydrophobicContact CG1-CB 3.76Å; V31-F66 HydrophobicContact CG1-CD2 4.26Å; F35-F66 HydrophobicContact CB-CE2 4.43Å; F35-F66 HydrophobicContact CD2-CE2 4.1Å; M38-F66 HydrophobicContact CE-CE2 4.36Å; M38-F66 HydrophobicContact CE-CZ 4.08Å; M38-F66 HydrophobicContact SD-CE2 3.68Å; M38-F66 HydrophobicContact SD-CZ 4.01Å; L54-F66 HydrophobicContact CD1-CD1 4.34Å; L54-F66 HydrophobicContact CD1-CD2 4.37Å; L54-F66 HydrophobicContact CD1-CE1 3.77Å; L54-F66 HydrophobicContact CD1-CE2 3.81Å; L54-F66 HydrophobicContact CD1-CZ 3.47Å; L54-F66 VanDerWaalsContact CD1-CZ 3.47Å; L54-F66 HydrophobicContact CD2-CD1 4.31Å; L54-F66 HydrophobicContact CD2-CD2 3.95Å; L54-F66 HydrophobicContact CD2-CE2 4.2Å; L54-F66 HydrophobicContact CD2-CG 4.01Å; L54-F66 HydrophobicContact CD2-CZ 4.48Å; I62-F66 PolarHBondContact O-N 2.98Å; L63-F66 WeakPolarHBondContact O-CB 3.47Å; L63-F66 PolarHBondContact O-N 2.91Å; N64-F66 VanDerWaalsContact C-N 3.3Å; N64-F66 PolarHBondContact O-N 2.94Å; F66-V69 WeakPolarHBondContact O-CG2 3.35Å; F66-G71 VanDerWaalsContact CE1-CA 3.49Å; F66-G71 VanDerWaalsContact O-CA 3.31Å; F66-G71 WeakPolarHBondContact O-CA 3.47Å; F66-G71 PolarHBondContact O-N 3.35Å; F66-L75 HydrophobicContact CE1-CD1 4.04Å; F66-L75 HydrophobicContact CE1-CG 4.33Å; F66-L101 HydrophobicContact CD1-CD1 4.49Å; F66-L101 HydrophobicContact CD1-CD2 3.89Å; F66-L101 HydrophobicContact CE1-CD1 4.41Å
67I97.8Very high97.3Very high15 Ų1554.1 Ų54.18%0.07726%0.257CS..Hα-helixtrans-61.6-47.9173-61.3161.5000110.4L63 N64 V69 G70 L101 P102 L103L63-I67 WeakPolarHBondContact O-CG1 3.02Å; L63-I67 PolarHBondContact O-N 3.18Å; N64-I67 PolarHBondContact O-N 3.33Å; I67-V69 PolarHBondContact O-N 3.36Å; I67-G70 PolarHBondContact O-N 3.37Å; I67-L101 HydrophobicContact CD1-CB 4.43Å; I67-L101 HydrophobicContact CD1-CD2 4.24Å; I67-L101 HydrophobicContact CG1-CD2 4Å; I67-P102 HydrophobicContact CD1-CG 4.11Å; I67-L103 HydrophobicContact CD1-CD2 3.95Å; I67-L103 HydrophobicContact CG1-CD2 4.32Å
68R97.4Very high97.4Very high205 Ų20554.5 Ų54.577%0.77426%0.258SS*.Hα-helixtrans-61.5-34.9-177.7-71.7-179.7-166-145.211.9114N64 R65 G70N64-R68 WeakPolarHBondContact O-CG 3.46Å; N64-R68 PolarHBondContact O-N 3.4Å; R65-R68 PolarHBondContact O-N 2.64Å; R68-G70 PolarHBondContact O-N 3.13Å
69V97.7Very high97.6Very high41 Ų4148.7 Ų48.725%0.24823%0.233CC..THydrogen-bonded Turntrans-770.3175.6-59.30000113.7V31 P32 F35 R65 F66 I67V31-V69 HydrophobicContact CG1-CG2 4.21Å; P32-V69 HydrophobicContact CG-CG1 4.31Å; F35-V69 HydrophobicContact CB-CG2 3.86Å; F35-V69 HydrophobicContact CD1-CB 4.22Å; F35-V69 HydrophobicContact CD1-CG2 3.91Å; F35-V69 HydrophobicContact CD2-CG2 4.22Å; F35-V69 WeakPolarHBondContact CE1-O 3.49Å; F35-V69 HydrophobicContact CG-CG2 3.71Å; F35-V69 VanDerWaalsContact CZ-O 3.31Å; F35-V69 WeakPolarHBondContact CZ-O 3.38Å; R65-V69 PolarHBondContact O-N 3.3Å; F66-V69 WeakPolarHBondContact O-CG2 3.35Å; I67-V69 PolarHBondContact O-N 3.36Å
70G97.4Very high97.6Very high18 Ų1848.9 Ų48.919%0.18623%0.232CC..THydrogen-bonded Turntrans996.7179.500000114.8I67 R68 Y72 R73 L74I67-G70 PolarHBondContact O-N 3.37Å; R68-G70 PolarHBondContact O-N 3.13Å; G70-Y72 VanDerWaalsContact C-N 3.25Å; G70-Y72 PolarHBondContact O-N 3.12Å; G70-R73 WeakPolarHBondContact O-CA 3.43Å; G70-R73 WeakPolarHBondContact O-CB 3.31Å; G70-R73 PolarHBondContact O-N 3.03Å; G70-L74 PolarHBondContact O-N 3.43Å; G70-L74 VanDerWaalsContact O-N 3.15Å
71G97.9Very high97.7Very high0 Ų047.6 Ų47.60%022%0.223CC..Hα-helixtrans-53.7-38.917900000113.7F66 R73 L74 L75F66-G71 VanDerWaalsContact CE1-CA 3.49Å; F66-G71 VanDerWaalsContact O-CA 3.31Å; F66-G71 WeakPolarHBondContact O-CA 3.47Å; F66-G71 PolarHBondContact O-N 3.35Å; G71-R73 VanDerWaalsContact C-N 3.33Å; G71-R73 PolarHBondContact O-N 3.38Å; G71-L74 WeakPolarHBondContact O-CB 3.37Å; G71-L74 PolarHBondContact O-N 3.01Å; G71-L75 WeakPolarHBondContact O-CG 3.35Å; G71-L75 PolarHBondContact O-N 3.26Å
72Y97.7Very high97.6Very high4 Ų442.3 Ų42.32%0.01620%0.195CC..Hα-helixtrans-61.9-35.9174.2177.1-114.1000113.5G70 L75 N76 L98 L103 H107 N111 T113G70-Y72 VanDerWaalsContact C-N 3.25Å; G70-Y72 PolarHBondContact O-N 3.12Å; Y72-L75 PolarHBondContact O-N 3.41Å; Y72-N76 PolarHBondContact O-N 3.32Å; Y72-N76 VanDerWaalsContact O-N 3.08Å; Y72-L98 HydrophobicContact CD2-CD2 3.98Å; Y72-L98 HydrophobicContact CE2-CD2 3.89Å; Y72-L103 HydrophobicContact CD2-CD1 4.2Å; Y72-L103 HydrophobicContact CD2-CD2 3.53Å; Y72-L103 HydrophobicContact CE2-CD1 3.73Å; Y72-L103 HydrophobicContact CE2-CD2 3.73Å; Y72-L103 HydrophobicContact CE2-CG 4.41Å; Y72-L103 HydrophobicContact CG-CD2 4.1Å; Y72-H107 HydrophobicContact CD1-CB 4.25Å; Y72-H107 HydrophobicContact CE1-CB 4Å; Y72-H107 VanDerWaalsContact CE1-O 3.24Å; Y72-H107 WeakPolarHBondContact CE1-O 3.36Å; Y72-H107 PolarHBondContact OH-O 3.35Å; Y72-N111 WeakPolarHBondContact CE1-ND2 3.17Å; Y72-N111 PolarHBondContact OH-OD1 3.22Å; Y72-T113 HydrophobicContact CE2-CG2 4.31Å; Y72-T113 WeakPolarHBondContact OH-CB 3.38Å
73R97.3Very high97.5Very high166 Ų16644.5 Ų44.563%0.62620%0.204SC*.Hα-helixtrans-71.2-37.2176.4-61.4-176.4179.6-176.7-0111.3G70 G71 N76 S77G70-R73 WeakPolarHBondContact O-CA 3.43Å; G70-R73 WeakPolarHBondContact O-CB 3.31Å; G70-R73 PolarHBondContact O-N 3.03Å; G71-R73 VanDerWaalsContact C-N 3.33Å; G71-R73 PolarHBondContact O-N 3.38Å; R73-N76 PolarHBondContact O-N 3.49Å; R73-S77 PolarHBondContact O-N 3.4Å; R73-S77 VanDerWaalsContact O-N 3.11Å
74L98.1Very high97.4Very high23 Ų2349.2 Ų49.212%0.1223%0.233CC..Hα-helixtrans-63.5-44172.7-177.563000111.5F35 M38 K39 G70 G71 N76 S77 W78F35-L74 HydrophobicContact CD2-CD2 4.14Å; F35-L74 HydrophobicContact CE2-CB 3.99Å; F35-L74 HydrophobicContact CE2-CD2 3.91Å; M38-L74 HydrophobicContact CB-CD2 3.71Å; K39-L74 HydrophobicContact CB-CD2 4.42Å; G70-L74 PolarHBondContact O-N 3.43Å; G70-L74 VanDerWaalsContact O-N 3.15Å; G71-L74 WeakPolarHBondContact O-CB 3.37Å; G71-L74 PolarHBondContact O-N 3.01Å; L74-N76 VanDerWaalsContact C-N 3.32Å; L74-N76 PolarHBondContact O-N 3.44Å; L74-S77 WeakPolarHBondContact O-CB 3.49Å; L74-S77 PolarHBondContact O-N 3.13Å; L74-W78 HydrophobicContact CD1-CZ2 4.31Å; L74-W78 HydrophobicContact CD2-CZ2 4.14Å; L74-W78 HydrophobicContact CG-CD2 4.41Å; L74-W78 HydrophobicContact CG-CZ2 4.26Å; L74-W78 PolarHBondContact O-N 3Å
75L98.2Very high97.3Very high0 Ų050.7 Ų50.70%024%0.243CC..Hα-helixtrans-61.6-36.6174.7-68.3-178.5000112.6L51 F66 G71 Y72 W78 L79 T97 L98 L101L51-L75 HydrophobicContact CD2-CD2 3.48Å; L51-L75 VanDerWaalsContact CD2-CD2 3.48Å; F66-L75 HydrophobicContact CE1-CD1 4.04Å; F66-L75 HydrophobicContact CE1-CG 4.33Å; G71-L75 WeakPolarHBondContact O-CG 3.35Å; G71-L75 PolarHBondContact O-N 3.26Å; Y72-L75 PolarHBondContact O-N 3.41Å; L75-W78 HydrophobicContact CD2-CE3 4.37Å; L75-W78 PolarHBondContact O-N 3.13Å; L75-L79 VanDerWaalsContact O-CB 3.26Å; L75-L79 WeakPolarHBondContact O-CB 3.37Å; L75-L79 PolarHBondContact O-N 3.09Å; L75-T97 HydrophobicContact CD1-CG2 3.84Å; L75-T97 HydrophobicContact CD2-CG2 4.47Å; L75-L98 HydrophobicContact CB-CD2 4.34Å; L75-L98 HydrophobicContact CD1-CD2 4.11Å; L75-L101 HydrophobicContact CD1-CD1 3.39Å
76N97.9Very high97.1Very high20 Ų2050.2 Ų50.211%0.10725%0.25CC..Hα-helixtrans-65.8-38.6174.2-171.761.1000112.8Y72 R73 L74 L79 T80 N111 N112 T113Y72-N76 PolarHBondContact O-N 3.32Å; Y72-N76 VanDerWaalsContact O-N 3.08Å; R73-N76 PolarHBondContact O-N 3.49Å; L74-N76 VanDerWaalsContact C-N 3.32Å; L74-N76 PolarHBondContact O-N 3.44Å; N76-L79 PolarHBondContact O-N 3.15Å; N76-T80 WeakPolarHBondContact O-CB 3.49Å; N76-T80 PolarHBondContact O-N 2.68Å; N76-T80 PolarHBondContact O-OG1 3.25Å; N76-N111 WeakPolarHBondContact CB-ND2 3.23Å; N76-N112 PolarHBondContact ND2-OD1 3.34Å; N76-N112 PolarHBondContact OD1-OD1 2.8Å; N76-T113 WeakPolarHBondContact CB-OG1 3.4Å; N76-T113 WeakPolarHBondContact OD1-CA 3.41Å; N76-T113 WeakPolarHBondContact OD1-CB 3.47Å; N76-T113 PolarHBondContact OD1-N 3.06Å; N76-T113 PolarHBondContact OD1-OG1 2.83Å
77S97.8Very high96.9Very high69 Ų6952.2 Ų52.248%0.48326%0.26SS..Hα-helixtrans-62.4-45.5172.8174.10000111R73 L74 T80 Y81R73-S77 PolarHBondContact O-N 3.4Å; R73-S77 VanDerWaalsContact O-N 3.11Å; L74-S77 WeakPolarHBondContact O-CB 3.49Å; L74-S77 PolarHBondContact O-N 3.13Å; S77-T80 PolarHBondContact O-N 3.49Å; S77-Y81 WeakPolarHBondContact O-CB 3.46Å; S77-Y81 PolarHBondContact O-N 3.23Å
78W98Very high96.8Very high14 Ų1452.7 Ų52.75%0.05327%0.265CS..Hα-helixtrans-68.3-35.5177.7-69.92.6000113.4M38 R47 L51 L74 L75 T80 Y81 S82 I94M38-W78 HydrophobicContact CB-CH2 3.93Å; M38-W78 HydrophobicContact CB-CZ2 4.35Å; M38-W78 HydrophobicContact CE-CE3 4.47Å; M38-W78 HydrophobicContact CE-CH2 3.75Å; M38-W78 HydrophobicContact CE-CZ3 3.53Å; M38-W78 HydrophobicContact CG-CH2 4.24Å; M38-W78 WeakPolarHBondContact O-CZ2 3.3Å; R47-W78 HydrophobicContact CB-CE3 4.36Å; R47-W78 HydrophobicContact CB-CH2 3.83Å; R47-W78 HydrophobicContact CB-CZ2 4.37Å; R47-W78 HydrophobicContact CB-CZ3 3.82Å; R47-W78 HydrophobicContact CG-CH2 3.68Å; R47-W78 HydrophobicContact CG-CZ2 3.74Å; R47-W78 HydrophobicContact CG-CZ3 4.11Å; L51-W78 HydrophobicContact CD1-CE3 4.29Å; L51-W78 HydrophobicContact CD1-CZ3 4.26Å; L51-W78 HydrophobicContact CD2-CE3 4.39Å; L51-W78 HydrophobicContact CD2-CZ3 4.25Å; L51-W78 HydrophobicContact CG-CE3 4.47Å; L51-W78 HydrophobicContact CG-CZ3 4.09Å; L74-W78 HydrophobicContact CD1-CZ2 4.31Å; L74-W78 HydrophobicContact CD2-CZ2 4.14Å; L74-W78 HydrophobicContact CG-CD2 4.41Å; L74-W78 HydrophobicContact CG-CZ2 4.26Å; L74-W78 PolarHBondContact O-N 3Å; L75-W78 HydrophobicContact CD2-CE3 4.37Å; L75-W78 PolarHBondContact O-N 3.13Å; W78-T80 VanDerWaalsContact C-N 3.34Å; W78-Y81 PolarHBondContact O-N 3.27Å; W78-S82 WeakPolarHBondContact O-CB 3.45Å; W78-S82 PolarHBondContact O-N 3.22Å; W78-S82 PolarHBondContact O-OG 2.93Å; W78-S82 VanDerWaalsContact O-OG 3.06Å; W78-I94 HydrophobicContact CB-CD1 3.64Å
79L97.7Very high96.6Very high1 Ų147.4 Ų47.41%0.00526%0.257CS..Hα-helixtrans-64.5-39.6173.9-173.477.8000111.2L75 N76 S82 K83 L91 I94 L95 L98 T113 L116 V117 L120L75-L79 VanDerWaalsContact O-CB 3.26Å; L75-L79 WeakPolarHBondContact O-CB 3.37Å; L75-L79 PolarHBondContact O-N 3.09Å; N76-L79 PolarHBondContact O-N 3.15Å; L79-S82 PolarHBondContact O-OG 3.33Å; L79-K83 VanDerWaalsContact O-CB 3.29Å; L79-K83 WeakPolarHBondContact O-CB 3.31Å; L79-K83 PolarHBondContact O-N 3.07Å; L79-L91 HydrophobicContact CD1-CD1 3.71Å; L79-L91 HydrophobicContact CG-CD1 4.44Å; L79-I94 HydrophobicContact CB-CG2 4.08Å; L79-I94 HydrophobicContact CD1-CB 4.46Å; L79-I94 HydrophobicContact CD1-CG2 3.85Å; L79-L95 HydrophobicContact CD1-CD2 4.08Å; L79-L95 HydrophobicContact CD1-CG 4.41Å; L79-L98 HydrophobicContact CD1-CD1 4.45Å; L79-L98 HydrophobicContact CD2-CD1 4.34Å; L79-T113 HydrophobicContact CD2-CG2 4.07Å; L79-L116 HydrophobicContact CD2-CB 3.91Å; L79-L116 HydrophobicContact CD2-CD1 4.06Å; L79-V117 HydrophobicContact CD2-CG2 4.08Å; L79-L120 HydrophobicContact CD1-CD1 4.38Å
80T97.4Very high96.5Very high51 Ų5145.5 Ų45.531%0.31325%0.246SC..Hα-helixtrans-65.5-49.4174.7-540000109.8N76 S77 W78 K83 T84N76-T80 WeakPolarHBondContact O-CB 3.49Å; N76-T80 PolarHBondContact O-N 2.68Å; N76-T80 PolarHBondContact O-OG1 3.25Å; S77-T80 PolarHBondContact O-N 3.49Å; W78-T80 VanDerWaalsContact C-N 3.34Å; T80-K83 PolarHBondContact O-N 2.67Å; T80-T84 WeakPolarHBondContact O-CG2 3.44Å; T80-T84 PolarHBondContact O-N 2.82Å; T80-T84 PolarHBondContact O-OG1 3.48Å; T80-T84 VanDerWaalsContact O-OG1 3.1Å
81Y96.9Very high96.5Very high91 Ų9145.1 Ų45.136%0.35724%0.239SC..Hα-helixtrans-57.2-54.5177.6169.4-99.4000112.7M44 S77 W78 K83 T84 T85 L90M44-Y81 HydrophobicContact CE-CE1 4.19Å; S77-Y81 WeakPolarHBondContact O-CB 3.46Å; S77-Y81 PolarHBondContact O-N 3.23Å; W78-Y81 PolarHBondContact O-N 3.27Å; Y81-K83 VanDerWaalsContact C-N 3.26Å; Y81-K83 PolarHBondContact O-N 2.76Å; Y81-T84 WeakPolarHBondContact CA-OG1 3.29Å; Y81-T84 PolarHBondContact O-N 3.49Å; Y81-T84 PolarHBondContact O-OG1 3.02Å; Y81-T85 HydrophobicContact CD2-CG2 4.05Å; Y81-T85 HydrophobicContact CE2-CG2 3.66Å; Y81-T85 PolarHBondContact O-N 3.31Å; Y81-T85 PolarHBondContact O-OG1 3.26Å; Y81-L90 HydrophobicContact CD1-CD2 4.28Å; Y81-L90 HydrophobicContact CE1-CD2 4.34Å
82S95.9Very high96.5Very high0 Ų049.1 Ų49.10%026%0.258CS..Hα-helixtrans-64.3-32.2-177.160.40000112.4W78 L79 N86 N87 L91W78-S82 WeakPolarHBondContact O-CB 3.45Å; W78-S82 PolarHBondContact O-N 3.22Å; W78-S82 PolarHBondContact O-OG 2.93Å; W78-S82 VanDerWaalsContact O-OG 3.06Å; L79-S82 PolarHBondContact O-OG 3.33Å; S82-N86 PolarHBondContact O-N 3.24Å; S82-N87 PolarHBondContact O-N 3.01Å; S82-L91 WeakPolarHBondContact OG-CD1 3.47Å
83K94.8Very high96.5Very high57 Ų5750.2 Ų50.225%0.24826%0.264CS..Hα-helixtrans-67.2-43.1170-170.9-170.1175.1-154.30112.1L79 T80 Y81 T85 N86 L91 L116 L120L79-K83 VanDerWaalsContact O-CB 3.29Å; L79-K83 WeakPolarHBondContact O-CB 3.31Å; L79-K83 PolarHBondContact O-N 3.07Å; T80-K83 PolarHBondContact O-N 2.67Å; Y81-K83 VanDerWaalsContact C-N 3.26Å; Y81-K83 PolarHBondContact O-N 2.76Å; K83-T85 VanDerWaalsContact C-N 3.27Å; K83-T85 PolarHBondContact O-N 2.61Å; K83-N86 PolarHBondContact O-N 3.15Å; K83-N86 PolarHBondContact O-OD1 3.21Å; K83-L91 HydrophobicContact CB-CD1 4.24Å; K83-L116 HydrophobicContact CD-CD2 4.29Å; K83-L120 HydrophobicContact CD-CD2 4.29Å; K83-L120 HydrophobicContact CG-CD2 4.33Å
84T95.4Very high96.5Very high103 Ų10342.3 Ų42.363%0.63223%0.234SC*.Hα-helixtrans-71.1-18.8178.649.50000114.3T80 Y81T80-T84 WeakPolarHBondContact O-CG2 3.44Å; T80-T84 PolarHBondContact O-N 2.82Å; T80-T84 PolarHBondContact O-OG1 3.48Å; T80-T84 VanDerWaalsContact O-OG1 3.1Å; Y81-T84 WeakPolarHBondContact CA-OG1 3.29Å; Y81-T84 PolarHBondContact O-N 3.49Å; Y81-T84 PolarHBondContact O-OG1 3.02Å
85T95.6Very high96.5Very high67 Ų6741.2 Ų41.241%0.41123%0.228SC..THydrogen-bonded Turntrans-108.918.7176.570.40000112.9Y81 K83 N87Y81-T85 HydrophobicContact CD2-CG2 4.05Å; Y81-T85 HydrophobicContact CE2-CG2 3.66Å; Y81-T85 PolarHBondContact O-N 3.31Å; Y81-T85 PolarHBondContact O-OG1 3.26Å; K83-T85 VanDerWaalsContact C-N 3.27Å; K83-T85 PolarHBondContact O-N 2.61Å; T85-N87 PolarHBondContact O-N 2.94Å
86N94.1Very high96.5Very high108 Ų10844 Ų4458%0.57824%0.243SC*.THydrogen-bonded Turntrans42.136.5-176.7-60.95.3000114.6S82 K83 S88S82-N86 PolarHBondContact O-N 3.24Å; K83-N86 PolarHBondContact O-N 3.15Å; K83-N86 PolarHBondContact O-OD1 3.21Å; N86-S88 VanDerWaalsContact C-N 3.33Å; N86-S88 PolarHBondContact O-N 2.9Å
87N94.7Very high96.5Very high44 Ų4443 Ų4324%0.23524%0.238CC..  trans-88.174.9-176.7-164.6-57.9000110.2S82 T85 L90 L91S82-N87 PolarHBondContact O-N 3.01Å; T85-N87 PolarHBondContact O-N 2.94Å; N87-L90 HydrophobicContact CB-CB 4.31Å; N87-L90 PolarHBondContact O-N 3.22Å; N87-L90 WeakPolarHBondContact OD1-CB 3.26Å; N87-L90 PolarHBondContact OD1-N 2.93Å; N87-L91 WeakPolarHBondContact O-CB 3.35Å; N87-L91 PolarHBondContact O-N 3.4Å
88S94.3Very high96.5Very high25 Ų2539.8 Ų39.818%0.17522%0.215CC..Hα-helixtrans-52.8-40.1-177.8-71.40000114.7N86 L91 Q92N86-S88 VanDerWaalsContact C-N 3.33Å; N86-S88 PolarHBondContact O-N 2.9Å; S88-L91 WeakPolarHBondContact O-CB 3.5Å; S88-L91 PolarHBondContact O-N 2.74Å; S88-Q92 WeakPolarHBondContact O-CB 3.42Å; S88-Q92 PolarHBondContact O-N 2.89Å
89P94.7Very high96.4Very high94 Ų9443.8 Ų43.861%0.6123%0.234SC*.Hα-helixtrans-64.6-44.9174.9-24.135.5000114.1L91 Q92 L93P89-L91 VanDerWaalsContact C-N 3.31Å; P89-L91 PolarHBondContact O-N 2.91Å; P89-Q92 PolarHBondContact O-N 3.07Å; P89-L93 PolarHBondContact O-N 2.8Å; P89-L93 VanDerWaalsContact O-N 3.09Å
90L95.9Very high96.3Very high1 Ų149.7 Ų49.71%0.00526%0.26CS..Hα-helixtrans-65.6-38.1174.9176.461.8000110.9M44 L51 Y81 N87 L93 I94M44-L90 HydrophobicContact CE-CD2 4.37Å; M44-L90 HydrophobicContact SD-CB 4.45Å; M44-L90 HydrophobicContact SD-CD2 3.66Å; M44-L90 HydrophobicContact SD-CG 4.45Å; L51-L90 HydrophobicContact CD1-CD1 3.65Å; Y81-L90 HydrophobicContact CD1-CD2 4.28Å; Y81-L90 HydrophobicContact CE1-CD2 4.34Å; N87-L90 HydrophobicContact CB-CB 4.31Å; N87-L90 PolarHBondContact O-N 3.22Å; N87-L90 WeakPolarHBondContact OD1-CB 3.26Å; N87-L90 PolarHBondContact OD1-N 2.93Å; L90-L93 PolarHBondContact O-N 3.35Å; L90-I94 HydrophobicContact CD1-CD1 3.87Å; L90-I94 HydrophobicContact CD1-CG1 4.08Å; L90-I94 HydrophobicContact CD2-CD1 4.33Å; L90-I94 HydrophobicContact CG-CD1 3.73Å; L90-I94 HydrophobicContact CG-CG1 4.37Å; L90-I94 WeakPolarHBondContact O-CD1 3.32Å; L90-I94 VanDerWaalsContact O-CG1 3.25Å; L90-I94 WeakPolarHBondContact O-CG1 3.15Å; L90-I94 PolarHBondContact O-N 3.49Å
91L96.9Very high96.3Very high9 Ų947.7 Ų47.75%0.04725%0.247CC..Hα-helixtrans-59.7-47.4176.5-165.172.4000111.1L79 S82 K83 N87 S88 P89 L93 I94 L95 L120 L129L79-L91 HydrophobicContact CD1-CD1 3.71Å; L79-L91 HydrophobicContact CG-CD1 4.44Å; S82-L91 WeakPolarHBondContact OG-CD1 3.47Å; K83-L91 HydrophobicContact CB-CD1 4.24Å; N87-L91 WeakPolarHBondContact O-CB 3.35Å; N87-L91 PolarHBondContact O-N 3.4Å; S88-L91 WeakPolarHBondContact O-CB 3.5Å; S88-L91 PolarHBondContact O-N 2.74Å; P89-L91 VanDerWaalsContact C-N 3.31Å; P89-L91 PolarHBondContact O-N 2.91Å; L91-L93 PolarHBondContact O-N 3.44Å; L91-I94 PolarHBondContact O-N 3.47Å; L91-L95 VanDerWaalsContact O-CG 3.29Å; L91-L95 WeakPolarHBondContact O-CG 3.47Å; L91-L95 PolarHBondContact O-N 2.65Å; L91-L120 HydrophobicContact CD1-CD1 3.93Å; L91-L120 HydrophobicContact CD2-CD1 3.97Å; L91-L120 HydrophobicContact CD2-CD2 3.84Å; L91-L120 HydrophobicContact CG-CD1 4.12Å; L91-L129 HydrophobicContact CB-CD2 4.24Å; L91-L129 HydrophobicContact CD2-CD1 4.02Å; L91-L129 HydrophobicContact CD2-CD2 4.15Å; L91-L129 HydrophobicContact CG-CD2 4.22Å
92Q96.7Very high96.2Very high85 Ų8544.8 Ų44.840%0.39724%0.24SC..Hα-helixtrans-58.6-46.7175.6-171.8-180300111.3S88 P89 I94 L95 L96 L129 L132S88-Q92 WeakPolarHBondContact O-CB 3.42Å; S88-Q92 PolarHBondContact O-N 2.89Å; P89-Q92 PolarHBondContact O-N 3.07Å; Q92-I94 VanDerWaalsContact C-N 3.34Å; Q92-I94 PolarHBondContact O-N 3.14Å; Q92-L95 PolarHBondContact O-N 3.05Å; Q92-L96 WeakPolarHBondContact O-CG 3.48Å; Q92-L96 PolarHBondContact O-N 2.76Å; Q92-L129 HydrophobicContact CB-CD2 3.75Å; Q92-L129 HydrophobicContact CG-CD2 4.42Å; Q92-L132 HydrophobicContact CG-CD1 3.96Å
93L97.5Very high96.2Very high26 Ų2645.4 Ų45.414%0.13624%0.243CC..Hα-helixtrans-64.7-37.1-178.6-160.668.3000112.7C48 L51 L55 P89 L90 L91 T97C48-L93 HydrophobicContact CB-CD2 3.88Å; L51-L93 HydrophobicContact CB-CD2 3.72Å; L51-L93 HydrophobicContact CB-CG 3.92Å; L51-L93 HydrophobicContact CD1-CB 4.39Å; L51-L93 HydrophobicContact CD1-CD2 3.85Å; L51-L93 HydrophobicContact CD1-CG 4.13Å; L51-L93 HydrophobicContact CG-CD2 4.44Å; L55-L93 HydrophobicContact CD1-CD1 3.5Å; L55-L93 HydrophobicContact CD1-CG 4.22Å; P89-L93 PolarHBondContact O-N 2.8Å; P89-L93 VanDerWaalsContact O-N 3.09Å; L90-L93 PolarHBondContact O-N 3.35Å; L91-L93 PolarHBondContact O-N 3.44Å; L93-T97 WeakPolarHBondContact O-CB 3.41Å; L93-T97 PolarHBondContact O-N 3.19Å; L93-T97 VanDerWaalsContact O-N 3.07Å; L93-T97 PolarHBondContact O-OG1 3.38Å
94I98.2Very high96.1Very high0 Ų047.9 Ų47.90%025%0.253CS..Hα-helixtrans-68.5-41.5173.5-66.3164.2000110.9L51 W78 L79 L90 L91 Q92 T97 L98L51-I94 HydrophobicContact CD1-CG1 3.87Å; L51-I94 HydrophobicContact CD2-CG1 4.45Å; W78-I94 HydrophobicContact CB-CD1 3.64Å; L79-I94 HydrophobicContact CB-CG2 4.08Å; L79-I94 HydrophobicContact CD1-CB 4.46Å; L79-I94 HydrophobicContact CD1-CG2 3.85Å; L90-I94 HydrophobicContact CD1-CD1 3.87Å; L90-I94 HydrophobicContact CD1-CG1 4.08Å; L90-I94 HydrophobicContact CD2-CD1 4.33Å; L90-I94 HydrophobicContact CG-CD1 3.73Å; L90-I94 HydrophobicContact CG-CG1 4.37Å; L90-I94 WeakPolarHBondContact O-CD1 3.32Å; L90-I94 VanDerWaalsContact O-CG1 3.25Å; L90-I94 WeakPolarHBondContact O-CG1 3.15Å; L90-I94 PolarHBondContact O-N 3.49Å; L91-I94 PolarHBondContact O-N 3.47Å; Q92-I94 VanDerWaalsContact C-N 3.34Å; Q92-I94 PolarHBondContact O-N 3.14Å; I94-T97 WeakPolarHBondContact O-CB 3.44Å; I94-T97 PolarHBondContact O-N 3.4Å; I94-T97 VanDerWaalsContact O-N 3.16Å; I94-L98 HydrophobicContact CG2-CD1 3.99Å; I94-L98 HydrophobicContact CG2-CG 4.33Å; I94-L98 WeakPolarHBondContact O-CG 3.39Å; I94-L98 PolarHBondContact O-N 2.92Å
95L98.1Very high96Very high0 Ų043.5 Ų43.50%023%0.226CC..Hα-helixtrans-63.4-43.7177.2-70.2173.3000112.1L79 L91 Q92 T97 L98 Q99 V117 L120 L129 L132 A133 L136L79-L95 HydrophobicContact CD1-CD2 4.08Å; L79-L95 HydrophobicContact CD1-CG 4.41Å; L91-L95 VanDerWaalsContact O-CG 3.29Å; L91-L95 WeakPolarHBondContact O-CG 3.47Å; L91-L95 PolarHBondContact O-N 2.65Å; Q92-L95 PolarHBondContact O-N 3.05Å; L95-T97 VanDerWaalsContact C-N 3.27Å; L95-T97 PolarHBondContact O-N 2.86Å; L95-L98 PolarHBondContact O-N 3.36Å; L95-Q99 PolarHBondContact O-N 3.19Å; L95-V117 HydrophobicContact CD2-CB 4.43Å; L95-V117 HydrophobicContact CD2-CG1 3.97Å; L95-V117 HydrophobicContact CD2-CG2 3.68Å; L95-L120 HydrophobicContact CD1-CD1 4.42Å; L95-L120 HydrophobicContact CD2-CD1 4.44Å; L95-L129 HydrophobicContact CD1-CD2 3.83Å; L95-L132 HydrophobicContact CB-CD1 3.95Å; L95-L132 HydrophobicContact CB-CD2 3.76Å; L95-L132 HydrophobicContact CB-CG 4.47Å; L95-A133 HydrophobicContact CD1-CB 4.36Å; L95-L136 HydrophobicContact CD2-CD2 4Å
96L97.9Very high96Very high58 Ų5844.4 Ų44.430%0.30423%0.229SC..Hα-helixtrans-57.7-41.3171.1-68.4174.7000111.4L55 Q92 Q99 K100 L132L55-L96 HydrophobicContact CD1-CB 4.41Å; L55-L96 HydrophobicContact CD2-CB 3.73Å; Q92-L96 WeakPolarHBondContact O-CG 3.48Å; Q92-L96 PolarHBondContact O-N 2.76Å; L96-Q99 WeakPolarHBondContact O-CB 3.3Å; L96-Q99 PolarHBondContact O-N 2.9Å; L96-K100 PolarHBondContact O-N 3.09Å; L96-L132 HydrophobicContact CD2-CD1 3.85Å; L96-L132 HydrophobicContact CD2-CG 4.31Å; L96-L132 HydrophobicContact CG-CD1 3.98Å
97T97.9Very high96Very high1 Ų140.6 Ų40.61%0.00621%0.208CC..Hα-helixtrans-67.1-40.1179.1-54.20000111.1L51 L54 L75 L93 I94 L95 Q99 K100 L101L51-T97 HydrophobicContact CD2-CG2 4.05Å; L54-T97 HydrophobicContact CB-CG2 4.09Å; L54-T97 HydrophobicContact CD1-CG2 4.16Å; L75-T97 HydrophobicContact CD1-CG2 3.84Å; L75-T97 HydrophobicContact CD2-CG2 4.47Å; L93-T97 WeakPolarHBondContact O-CB 3.41Å; L93-T97 PolarHBondContact O-N 3.19Å; L93-T97 VanDerWaalsContact O-N 3.07Å; L93-T97 PolarHBondContact O-OG1 3.38Å; I94-T97 WeakPolarHBondContact O-CB 3.44Å; I94-T97 PolarHBondContact O-N 3.4Å; I94-T97 VanDerWaalsContact O-N 3.16Å; L95-T97 VanDerWaalsContact C-N 3.27Å; L95-T97 PolarHBondContact O-N 2.86Å; T97-Q99 VanDerWaalsContact C-N 3.29Å; T97-Q99 PolarHBondContact O-N 2.87Å; T97-K100 PolarHBondContact O-N 3.13Å; T97-L101 HydrophobicContact CG2-CD1 4.35Å; T97-L101 VanDerWaalsContact O-CG 3.29Å; T97-L101 WeakPolarHBondContact O-CG 3.46Å; T97-L101 PolarHBondContact O-N 3.46Å
98L97.8Very high96Very high1 Ų139.2 Ų39.21%0.00520%0.2CC..Hα-helixtrans-65.9-29.3173.9-72.3170.5000113Y72 L75 L79 I94 L95 L101 L103 T113 L136 W140Y72-L98 HydrophobicContact CD2-CD2 3.98Å; Y72-L98 HydrophobicContact CE2-CD2 3.89Å; L75-L98 HydrophobicContact CB-CD2 4.34Å; L75-L98 HydrophobicContact CD1-CD2 4.11Å; L79-L98 HydrophobicContact CD1-CD1 4.45Å; L79-L98 HydrophobicContact CD2-CD1 4.34Å; I94-L98 HydrophobicContact CG2-CD1 3.99Å; I94-L98 HydrophobicContact CG2-CG 4.33Å; I94-L98 WeakPolarHBondContact O-CG 3.39Å; I94-L98 PolarHBondContact O-N 2.92Å; L95-L98 PolarHBondContact O-N 3.36Å; L98-L101 HydrophobicContact CD2-CD1 4.47Å; L98-L103 HydrophobicContact CD2-CD1 4.2Å; L98-T113 HydrophobicContact CD1-CG2 3.93Å; L98-T113 HydrophobicContact CD2-CG2 4.39Å; L98-L136 HydrophobicContact CB-CD2 3.88Å; L98-W140 HydrophobicContact CB-CZ2 4.23Å
99Q96.1Very high95.9Very high97 Ų9745.2 Ų45.245%0.45322%0.223SC..Hα-helixtrans-73.5-32.5173.5-167.1-175.713.900112.8L95 L96 T97 L136L95-Q99 PolarHBondContact O-N 3.19Å; L96-Q99 WeakPolarHBondContact O-CB 3.3Å; L96-Q99 PolarHBondContact O-N 2.9Å; T97-Q99 VanDerWaalsContact C-N 3.29Å; T97-Q99 PolarHBondContact O-N 2.87Å; Q99-L136 HydrophobicContact CB-CD1 3.99Å; Q99-L136 HydrophobicContact CG-CD1 4.32Å
100K95.6Very high95.8Very high126 Ų12645.5 Ų45.555%0.54822%0.216SC..Hα-helixtrans-75.4-26.6174.8-70.8-68-171.91750113.6L55 L63 L96 T97L55-K100 HydrophobicContact CD2-CG 3.86Å; L63-K100 WeakPolarHBondContact CD1-O 3.29Å; L96-K100 PolarHBondContact O-N 3.09Å; T97-K100 PolarHBondContact O-N 3.13Å
101L96.6Very high95.7Very high9 Ų947.4 Ų47.45%0.04723%0.227CC..SBendtrans-74.9134.2-174.6-76.6166.6000112.4L63 F66 I67 L75 T97 L98 L103L63-L101 HydrophobicContact CB-CD2 4.14Å; L63-L101 HydrophobicContact CD2-CD2 4.01Å; F66-L101 HydrophobicContact CD1-CD1 4.49Å; F66-L101 HydrophobicContact CD1-CD2 3.89Å; F66-L101 HydrophobicContact CE1-CD1 4.41Å; I67-L101 HydrophobicContact CD1-CB 4.43Å; I67-L101 HydrophobicContact CD1-CD2 4.24Å; I67-L101 HydrophobicContact CG1-CD2 4Å; L75-L101 HydrophobicContact CD1-CD1 3.39Å; T97-L101 HydrophobicContact CG2-CD1 4.35Å; T97-L101 VanDerWaalsContact O-CG 3.29Å; T97-L101 WeakPolarHBondContact O-CG 3.46Å; T97-L101 PolarHBondContact O-N 3.46Å; L98-L101 HydrophobicContact CD2-CD1 4.47Å; L101-L103 HydrophobicContact CB-CD2 4.15Å; L101-L103 HydrophobicContact CB-CG 3.99Å; L101-L103 PolarHBondContact O-N 3.48Å
102P95.3Very high95.7Very high30 Ų3050.2 Ų50.220%0.19524%0.242CC..  trans-75.173.6176.931-34.5000111L63 I67L63-P102 HydrophobicContact CB-CG 4.13Å; I67-P102 HydrophobicContact CD1-CG 4.11Å
103L95.3Very high95.7Very high12 Ų1246.2 Ų46.26%0.06322%0.223CC..  trans-79.9123.8-177-63177.3000111.7I67 Y72 L98 L101 H107 L108 W140I67-L103 HydrophobicContact CD1-CD2 3.95Å; I67-L103 HydrophobicContact CG1-CD2 4.32Å; Y72-L103 HydrophobicContact CD2-CD1 4.2Å; Y72-L103 HydrophobicContact CD2-CD2 3.53Å; Y72-L103 HydrophobicContact CE2-CD1 3.73Å; Y72-L103 HydrophobicContact CE2-CD2 3.73Å; Y72-L103 HydrophobicContact CE2-CG 4.41Å; Y72-L103 HydrophobicContact CG-CD2 4.1Å; L98-L103 HydrophobicContact CD2-CD1 4.2Å; L101-L103 HydrophobicContact CB-CD2 4.15Å; L101-L103 HydrophobicContact CB-CG 3.99Å; L101-L103 PolarHBondContact O-N 3.48Å; L103-H107 HydrophobicContact CD2-CB 4.13Å; L103-L108 HydrophobicContact CB-CD2 4.34Å; L103-L108 HydrophobicContact CD1-CD2 4.2Å; L103-W140 HydrophobicContact CD1-CZ2 3.62Å
104K93.7Very high95.6Very high109 Ų10946.5 Ų46.547%0.47423%0.229SC..  trans-88161.7171.4-61.1-173.7179.4-171.70110.4D106 H107 L108K104-D106 PolarHBondContact O-N 3.03Å; K104-D106 VanDerWaalsContact O-N 3.15Å; K104-H107 PolarHBondContact N-ND1 3.36Å; K104-H107 WeakPolarHBondContact O-CA 3.42Å; K104-H107 WeakPolarHBondContact O-CB 3.43Å; K104-H107 PolarHBondContact O-N 3.47Å; K104-L108 PolarHBondContact O-N 2.96Å
105V94.1Very high95.5Very high11 Ų1154.5 Ų54.57%0.06726%0.264CS..Hα-helixtrans-53.8-35.4175.4178.90000111.9H107 L108 K109 T143 I144 Q147V105-H107 VanDerWaalsContact C-N 3.26Å; V105-H107 PolarHBondContact O-N 2.97Å; V105-L108 PolarHBondContact O-N 3.11Å; V105-K109 HydrophobicContact CG1-CD 4.08Å; V105-K109 HydrophobicContact CG1-CG 4.4Å; V105-K109 WeakPolarHBondContact O-CG 3.36Å; V105-K109 PolarHBondContact O-N 3.17Å; V105-T143 HydrophobicContact CG2-CG2 4.39Å; V105-I144 HydrophobicContact CG1-CG1 4.28Å; V105-I144 HydrophobicContact CG2-CB 4.39Å; V105-I144 HydrophobicContact CG2-CG1 3.83Å; V105-Q147 VanDerWaalsContact CB-OE1 3.29Å; V105-Q147 HydrophobicContact CG2-CB 4.42Å; V105-Q147 HydrophobicContact CG2-CG 4.19Å
106D93.9Very high95.5Very high86 Ų8655.4 Ų55.446%0.4627%0.268SS..Hα-helixtrans-68.2-23.2177.2-47.1-52.3000113.6K104 Q110K104-D106 PolarHBondContact O-N 3.03Å; K104-D106 VanDerWaalsContact O-N 3.15Å; D106-Q110 WeakPolarHBondContact O-CG 3.48Å; D106-Q110 PolarHBondContact O-NE2 3.4Å
107H94.6Very high95.5Very high29 Ų2952.6 Ų52.613%0.13425%0.254CS..Hα-helixtrans-76-48170.8-51164.3000109.1Y72 L103 K104 V105 K109 Q110Y72-H107 HydrophobicContact CD1-CB 4.25Å; Y72-H107 HydrophobicContact CE1-CB 4Å; Y72-H107 VanDerWaalsContact CE1-O 3.24Å; Y72-H107 WeakPolarHBondContact CE1-O 3.36Å; Y72-H107 PolarHBondContact OH-O 3.35Å; L103-H107 HydrophobicContact CD2-CB 4.13Å; K104-H107 PolarHBondContact N-ND1 3.36Å; K104-H107 WeakPolarHBondContact O-CA 3.42Å; K104-H107 WeakPolarHBondContact O-CB 3.43Å; K104-H107 PolarHBondContact O-N 3.47Å; V105-H107 VanDerWaalsContact C-N 3.26Å; V105-H107 PolarHBondContact O-N 2.97Å; H107-K109 PolarHBondContact O-N 3.33Å; H107-K109 VanDerWaalsContact O-N 3.17Å; H107-Q110 WeakPolarHBondContact O-CB 3.48Å; H107-Q110 PolarHBondContact O-N 3.08Å
108L94.3Very high95.5Very high14 Ų1458.4 Ų58.47%0.07328%0.279CS..Hα-helixtrans-62.2-23.6179.9-57.6177.6000113.8L103 K104 V105 W140 I144L103-L108 HydrophobicContact CB-CD2 4.34Å; L103-L108 HydrophobicContact CD1-CD2 4.2Å; K104-L108 PolarHBondContact O-N 2.96Å; V105-L108 PolarHBondContact O-N 3.11Å; L108-W140 HydrophobicContact CD1-CB 3.73Å; L108-W140 HydrophobicContact CD1-CD2 4.19Å; L108-W140 HydrophobicContact CD1-CG 3.7Å; L108-W140 HydrophobicContact CD2-CD2 3.62Å; L108-W140 HydrophobicContact CD2-CE3 3.96Å; L108-W140 HydrophobicContact CD2-CG 4Å; L108-W140 HydrophobicContact CD2-CH2 4.39Å; L108-W140 HydrophobicContact CD2-CZ2 4.07Å; L108-W140 HydrophobicContact CD2-CZ3 4.34Å; L108-I144 HydrophobicContact CD1-CD1 4.45Å
109K93.7Very high95.4Very high152 Ų15262.8 Ų62.866%0.66130%0.299SS*.THydrogen-bonded Turntrans-80.8-19.7173.5-74.4169.1176.8166.10114.5V105 H107 N111V105-K109 HydrophobicContact CG1-CD 4.08Å; V105-K109 HydrophobicContact CG1-CG 4.4Å; V105-K109 WeakPolarHBondContact O-CG 3.36Å; V105-K109 PolarHBondContact O-N 3.17Å; H107-K109 PolarHBondContact O-N 3.33Å; H107-K109 VanDerWaalsContact O-N 3.17Å; K109-N111 PolarHBondContact O-N 3.47Å
110Q92Very high95.4Very high100 Ų10058.5 Ų58.547%0.46728%0.28SS..SBendtrans-75.3-18-171.3-88171.566.300114.9D106 H107D106-Q110 WeakPolarHBondContact O-CG 3.48Å; D106-Q110 PolarHBondContact O-NE2 3.4Å; H107-Q110 WeakPolarHBondContact O-CB 3.48Å; H107-Q110 PolarHBondContact O-N 3.08Å
111N94Very high95.5Very high41 Ų4153.8 Ų53.822%0.21926%0.263CS..SBendtrans-154-170.6-171.768.120.3000112.1Y72 N76 K109 T113Y72-N111 WeakPolarHBondContact CE1-ND2 3.17Å; Y72-N111 PolarHBondContact OH-OD1 3.22Å; N76-N111 WeakPolarHBondContact CB-ND2 3.23Å; K109-N111 PolarHBondContact O-N 3.47Å; N111-T113 VanDerWaalsContact CG-OG1 3.31Å; N111-T113 PolarHBondContact ND2-OG1 3.35Å; N111-T113 WeakPolarHBondContact OD1-CB 3.33Å; N111-T113 PolarHBondContact OD1-N 3.39Å; N111-T113 PolarHBondContact OD1-OG1 2.93Å
112N95.6Very high95.5Very high68 Ų6861.3 Ų61.336%0.36430%0.295SS..SBendtrans-89.95.5177.562.8-25.7000114.8N76 A114 K115 L116N76-N112 PolarHBondContact ND2-OD1 3.34Å; N76-N112 PolarHBondContact OD1-OD1 2.8Å; N112-A114 VanDerWaalsContact C-N 3.33Å; N112-A114 PolarHBondContact O-N 2.8Å; N112-K115 WeakPolarHBondContact O-CA 3.44Å; N112-K115 WeakPolarHBondContact O-CB 3.27Å; N112-K115 PolarHBondContact O-N 3.17Å; N112-L116 WeakPolarHBondContact O-CG 3.35Å; N112-L116 PolarHBondContact O-N 2.92Å
113T97.3Very high95.4Very high0 Ų063.2 Ų63.20%031%0.309CS..Hα-helixtrans-53.3-48.5-178-600000111.5Y72 N76 L79 L98 N111 K115 L116 V117 W140Y72-T113 HydrophobicContact CE2-CG2 4.31Å; Y72-T113 WeakPolarHBondContact OH-CB 3.38Å; N76-T113 WeakPolarHBondContact CB-OG1 3.4Å; N76-T113 WeakPolarHBondContact OD1-CA 3.41Å; N76-T113 WeakPolarHBondContact OD1-CB 3.47Å; N76-T113 PolarHBondContact OD1-N 3.06Å; N76-T113 PolarHBondContact OD1-OG1 2.83Å; L79-T113 HydrophobicContact CD2-CG2 4.07Å; L98-T113 HydrophobicContact CD1-CG2 3.93Å; L98-T113 HydrophobicContact CD2-CG2 4.39Å; N111-T113 VanDerWaalsContact CG-OG1 3.31Å; N111-T113 PolarHBondContact ND2-OG1 3.35Å; N111-T113 WeakPolarHBondContact OD1-CB 3.33Å; N111-T113 PolarHBondContact OD1-N 3.39Å; N111-T113 PolarHBondContact OD1-OG1 2.93Å; T113-K115 VanDerWaalsContact C-N 3.26Å; T113-K115 PolarHBondContact O-N 3.32Å; T113-L116 PolarHBondContact O-N 2.96Å; T113-L116 VanDerWaalsContact O-N 3.15Å; T113-V117 HydrophobicContact CG2-CG2 4.24Å; T113-V117 WeakPolarHBondContact O-CG2 3.49Å; T113-V117 PolarHBondContact O-N 3.34Å; T113-W140 HydrophobicContact CG2-CH2 3.77Å; T113-W140 HydrophobicContact CG2-CZ3 4.29Å
114A95.9Very high95.3Very high33 Ų3363 Ų6327%0.27331%0.309SS..Hα-helixtrans-61.2-33.1179.300000113N112 K118 W140N112-A114 VanDerWaalsContact C-N 3.33Å; N112-A114 PolarHBondContact O-N 2.8Å; A114-K118 VanDerWaalsContact O-CB 3.24Å; A114-K118 WeakPolarHBondContact O-CB 3.23Å; A114-K118 PolarHBondContact O-N 3.44Å; A114-W140 HydrophobicContact CB-CE3 4.47Å; A114-W140 HydrophobicContact CB-CZ3 4.5Å
115K96.7Very high95.1Very high167 Ų16763.8 Ų63.873%0.72631%0.314SS*.Hα-helixtrans-73.4-41.7174.9-62.5-177.7178.7-179.20111.5N112 T113 K118 Q119N112-K115 WeakPolarHBondContact O-CA 3.44Å; N112-K115 WeakPolarHBondContact O-CB 3.27Å; N112-K115 PolarHBondContact O-N 3.17Å; T113-K115 VanDerWaalsContact C-N 3.26Å; T113-K115 PolarHBondContact O-N 3.32Å; K115-K118 PolarHBondContact O-N 3.24Å; K115-Q119 PolarHBondContact O-N 3.27Å
116L97.1Very high95Very high19 Ų1966.2 Ų66.210%0.09933%0.329CS..Hα-helixtrans-63.4-49.7178.2-71.1174000111.5L79 K83 N112 T113 K118 Q119 L120L79-L116 HydrophobicContact CD2-CB 3.91Å; L79-L116 HydrophobicContact CD2-CD1 4.06Å; K83-L116 HydrophobicContact CD-CD2 4.29Å; N112-L116 WeakPolarHBondContact O-CG 3.35Å; N112-L116 PolarHBondContact O-N 2.92Å; T113-L116 PolarHBondContact O-N 2.96Å; T113-L116 VanDerWaalsContact O-N 3.15Å; L116-K118 VanDerWaalsContact C-N 3.35Å; L116-K118 PolarHBondContact O-N 2.94Å; L116-Q119 WeakPolarHBondContact O-CB 3.45Å; L116-Q119 PolarHBondContact O-N 2.85Å; L116-Q119 VanDerWaalsContact O-N 3.08Å; L116-L120 WeakPolarHBondContact O-CG 3.26Å; L116-L120 PolarHBondContact O-N 3.16Å
117V97.6Very high95.1Very high0 Ų066.1 Ų66.10%033%0.326CS..Hα-helixtrans-63.8-39.7178.2-176.40000111.3L79 L95 T113 Q119 L120 S121 A133 L136 V137 W140L79-V117 HydrophobicContact CD2-CG2 4.08Å; L95-V117 HydrophobicContact CD2-CB 4.43Å; L95-V117 HydrophobicContact CD2-CG1 3.97Å; L95-V117 HydrophobicContact CD2-CG2 3.68Å; T113-V117 HydrophobicContact CG2-CG2 4.24Å; T113-V117 WeakPolarHBondContact O-CG2 3.49Å; T113-V117 PolarHBondContact O-N 3.34Å; V117-Q119 PolarHBondContact O-N 3.38Å; V117-L120 PolarHBondContact O-N 3.42Å; V117-L120 VanDerWaalsContact O-N 3.09Å; V117-S121 PolarHBondContact O-N 3.07Å; V117-A133 HydrophobicContact CG1-CB 3.8Å; V117-A133 WeakPolarHBondContact CG1-O 3.32Å; V117-L136 HydrophobicContact CG1-CB 4.3Å; V117-L136 HydrophobicContact CG1-CD2 4.03Å; V117-L136 HydrophobicContact CG1-CG 4.31Å; V117-L136 HydrophobicContact CG2-CD2 4.39Å; V117-V137 HydrophobicContact CB-CG2 4.4Å; V117-V137 HydrophobicContact CG1-CG2 3.93Å; V117-W140 HydrophobicContact CB-CH2 4.4Å; V117-W140 HydrophobicContact CB-CZ3 3.9Å; V117-W140 HydrophobicContact CG1-CZ3 4.29Å; V117-W140 HydrophobicContact CG2-CH2 3.84Å; V117-W140 HydrophobicContact CG2-CZ3 3.82Å
118K97.5Very high95Very high122 Ų12269.7 Ų69.753%0.5334%0.343SS..Hα-helixtrans-66.5-19174.2-174.5169.5-179.91740114.3A114 K115 L116 S121 V137A114-K118 VanDerWaalsContact O-CB 3.24Å; A114-K118 WeakPolarHBondContact O-CB 3.23Å; A114-K118 PolarHBondContact O-N 3.44Å; K115-K118 PolarHBondContact O-N 3.24Å; L116-K118 VanDerWaalsContact C-N 3.35Å; L116-K118 PolarHBondContact O-N 2.94Å; K118-S121 PolarHBondContact O-OG 3.24Å; K118-V137 HydrophobicContact CB-CG2 4.08Å
119Q96.6Very high95.1Very high93 Ų9369.1 Ų69.144%0.43534%0.34SS..Hα-helixtrans-80.5-43.5167.8-171.7179.70.700110.8K115 L116 V117 S121 K122 S123K115-Q119 PolarHBondContact O-N 3.27Å; L116-Q119 WeakPolarHBondContact O-CB 3.45Å; L116-Q119 PolarHBondContact O-N 2.85Å; L116-Q119 VanDerWaalsContact O-N 3.08Å; V117-Q119 PolarHBondContact O-N 3.38Å; Q119-S121 VanDerWaalsContact C-N 3.3Å; Q119-S121 PolarHBondContact O-N 2.92Å; Q119-K122 PolarHBondContact O-N 3.02Å; Q119-S123 PolarHBondContact O-N 3.42Å; Q119-S123 PolarHBondContact O-OG 3.09Å
120L96.9Very high95.2Very high8 Ų865.9 Ų65.94%0.04232%0.323CS..Hα-helixtrans-61.2-37.1176.9-64.2172.6000112.3L79 K83 L91 L95 L116 V117 K122 S123 A124 A133L79-L120 HydrophobicContact CD1-CD1 4.38Å; K83-L120 HydrophobicContact CD-CD2 4.29Å; K83-L120 HydrophobicContact CG-CD2 4.33Å; L91-L120 HydrophobicContact CD1-CD1 3.93Å; L91-L120 HydrophobicContact CD2-CD1 3.97Å; L91-L120 HydrophobicContact CD2-CD2 3.84Å; L91-L120 HydrophobicContact CG-CD1 4.12Å; L95-L120 HydrophobicContact CD1-CD1 4.42Å; L95-L120 HydrophobicContact CD2-CD1 4.44Å; L116-L120 WeakPolarHBondContact O-CG 3.26Å; L116-L120 PolarHBondContact O-N 3.16Å; V117-L120 PolarHBondContact O-N 3.42Å; V117-L120 VanDerWaalsContact O-N 3.09Å; L120-K122 PolarHBondContact O-N 3.22Å; L120-S123 PolarHBondContact O-N 3.5Å; L120-A124 HydrophobicContact CB-CB 4.44Å; L120-A124 WeakPolarHBondContact O-CB 3.25Å; L120-A124 PolarHBondContact O-N 3.07Å; L120-A133 HydrophobicContact CB-CB 3.94Å
121S97.4Very high95.5Very high27 Ų2765.8 Ų65.819%0.18932%0.321CS..Hα-helixtrans-67.30.8173.677.70000114.4V117 K118 Q119V117-S121 PolarHBondContact O-N 3.07Å; K118-S121 PolarHBondContact O-OG 3.24Å; Q119-S121 VanDerWaalsContact C-N 3.3Å; Q119-S121 PolarHBondContact O-N 2.92Å
122K96.6Very high95.6Very high166 Ų16664.9 Ų64.972%0.72232%0.316SS*.Hα-helixtrans-121.9-37.9173.7-69.5-168.5168-153.70113.2Q119 L120Q119-K122 PolarHBondContact O-N 3.02Å; L120-K122 PolarHBondContact O-N 3.22Å
123S93.3Very high95.8Very high71 Ų7161.6 Ų61.650%0.49730%0.299SS..Hα-helixtrans-131.722.5-167.880.90000113.9Q119 L120Q119-S123 PolarHBondContact O-N 3.42Å; Q119-S123 PolarHBondContact O-OG 3.09Å; L120-S123 PolarHBondContact O-N 3.5Å
124A92.3Very high95.8Very high7 Ų763.2 Ų63.26%0.05831%0.312CS..  trans-70.5138.4165.300000110.2L120 L129 R130L120-A124 HydrophobicContact CB-CB 4.44Å; L120-A124 WeakPolarHBondContact O-CB 3.25Å; L120-A124 PolarHBondContact O-N 3.07Å; A124-L129 HydrophobicContact CB-CB 3.75Å; A124-R130 HydrophobicContact CB-CB 4.33Å; A124-R130 PolarHBondContact O-NE 3.31Å; A124-R130 PolarHBondContact O-NH2 3.2Å
125E90.4Very high95.9Very high126 Ų12665.7 Ų65.759%0.58932%0.324SS*.SBendtrans-59.5-52.6179.5-63163.317500111.1R130E125-R130 PolarHBondContact O-NH2 2.67Å
126T92.1Very high95.9Very high61 Ų6158 Ų5837%0.37429%0.291SS..SBendtrans-86140.5-18077.80000111.9E128 L129 R130T126-E128 VanDerWaalsContact C-N 3.31Å; T126-E128 PolarHBondContact O-N 3.08Å; T126-L129 PolarHBondContact O-N 3.28Å; T126-L129 WeakPolarHBondContact OG1-CB 3.45Å; T126-L129 WeakPolarHBondContact OG1-CD1 3.42Å; T126-L129 WeakPolarHBondContact OG1-CG 3.15Å; T126-L129 PolarHBondContact OG1-N 3.46Å; T126-R130 PolarHBondContact O-N 3.29Å; T126-R130 VanDerWaalsContact O-N 3.17Å
127E94.6Very high95.9Very high85 Ų8558.1 Ų58.140%0.39729%0.292SS..Hα-helixtrans-62.7-37.4179.6179.454.8-155.200112L129 R130 K131E127-L129 PolarHBondContact O-N 3.26Å; E127-R130 WeakPolarHBondContact O-CB 3.49Å; E127-R130 PolarHBondContact O-N 3.21Å; E127-R130 VanDerWaalsContact O-N 3.1Å; E127-R130 IonicContact OE2-CZ 2.66Å; E127-R130 IonicContact OE2-NE 2.67Å; E127-R130 IonicContact OE2-NH1 2.74Å; E127-R130 PolarHBondContact OE2-NH1 3.28Å; E127-K131 HydrophobicContact CG-CD 4.16Å; E127-K131 HydrophobicContact CG-CG 4.43Å; E127-K131 WeakPolarHBondContact O-CG 3.47Å; E127-K131 PolarHBondContact O-N 3.17Å; E127-K131 VanDerWaalsContact OE1-CE 3.24Å; E127-K131 WeakPolarHBondContact OE1-CE 3.15Å; E127-K131 WeakPolarHBondContact OE1-CG 3.48Å
128E93.5Very high95.9Very high104 Ų10462.9 Ų62.949%0.48632%0.317SS..Hα-helixtrans-66-36.4177.8-61.1-49.3119.700113T126 R130 K131 L132T126-E128 VanDerWaalsContact C-N 3.31Å; T126-E128 PolarHBondContact O-N 3.08Å; E128-R130 VanDerWaalsContact C-N 3.32Å; E128-K131 IonicContact OE1-NZ 2.66Å; E128-K131 PolarHBondContact OE1-NZ 2.94Å; E128-L132 VanDerWaalsContact O-CB 3.22Å; E128-L132 WeakPolarHBondContact O-CB 3.48Å; E128-L132 PolarHBondContact O-N 3.27Å
129L95.5Very high95.8Very high2 Ų258.8 Ų58.81%0.0131%0.31CS..Hα-helixtrans-64.5-39170.7-81.2171.6000111.6L91 Q92 L95 A124 T126 E127 A133L91-L129 HydrophobicContact CB-CD2 4.24Å; L91-L129 HydrophobicContact CD2-CD1 4.02Å; L91-L129 HydrophobicContact CD2-CD2 4.15Å; L91-L129 HydrophobicContact CG-CD2 4.22Å; Q92-L129 HydrophobicContact CB-CD2 3.75Å; Q92-L129 HydrophobicContact CG-CD2 4.42Å; L95-L129 HydrophobicContact CD1-CD2 3.83Å; A124-L129 HydrophobicContact CB-CB 3.75Å; T126-L129 PolarHBondContact O-N 3.28Å; T126-L129 WeakPolarHBondContact OG1-CB 3.45Å; T126-L129 WeakPolarHBondContact OG1-CD1 3.42Å; T126-L129 WeakPolarHBondContact OG1-CG 3.15Å; T126-L129 PolarHBondContact OG1-N 3.46Å; E127-L129 PolarHBondContact O-N 3.26Å; L129-A133 WeakPolarHBondContact O-CB 3.45Å; L129-A133 PolarHBondContact O-N 3Å
130R97Very high95.8Very high83 Ų8355.2 Ų55.231%0.31329%0.292SS..Hα-helixtrans-66.5-48.9-179.2-159.2-177.9-58.4147.8-1.4111.3A124 E125 T126 E127 E128 A133 A134A124-R130 HydrophobicContact CB-CB 4.33Å; A124-R130 PolarHBondContact O-NE 3.31Å; A124-R130 PolarHBondContact O-NH2 3.2Å; E125-R130 PolarHBondContact O-NH2 2.67Å; T126-R130 PolarHBondContact O-N 3.29Å; T126-R130 VanDerWaalsContact O-N 3.17Å; E127-R130 WeakPolarHBondContact O-CB 3.49Å; E127-R130 PolarHBondContact O-N 3.21Å; E127-R130 VanDerWaalsContact O-N 3.1Å; E127-R130 IonicContact OE2-CZ 2.66Å; E127-R130 IonicContact OE2-NE 2.67Å; E127-R130 IonicContact OE2-NH1 2.74Å; E127-R130 PolarHBondContact OE2-NH1 3.28Å; E128-R130 VanDerWaalsContact C-N 3.32Å; R130-A133 PolarHBondContact O-N 3.37Å; R130-A134 WeakPolarHBondContact O-CB 3.45Å; R130-A134 PolarHBondContact O-N 3.37Å
131K97.1Very high95.7Very high98 Ų9858.7 Ų58.743%0.42631%0.309SS..Hα-helixtrans-56.5-52.2173.3-72.1168.3178.9163.50111.9E127 E128 A133 A134 V135E127-K131 HydrophobicContact CG-CD 4.16Å; E127-K131 HydrophobicContact CG-CG 4.43Å; E127-K131 WeakPolarHBondContact O-CG 3.47Å; E127-K131 PolarHBondContact O-N 3.17Å; E127-K131 VanDerWaalsContact OE1-CE 3.24Å; E127-K131 WeakPolarHBondContact OE1-CE 3.15Å; E127-K131 WeakPolarHBondContact OE1-CG 3.48Å; E128-K131 IonicContact OE1-NZ 2.66Å; E128-K131 PolarHBondContact OE1-NZ 2.94Å; K131-A133 PolarHBondContact O-N 3.5Å; K131-A134 WeakPolarHBondContact O-CB 3.48Å; K131-A134 PolarHBondContact O-N 2.87Å; K131-V135 WeakPolarHBondContact O-CG2 3.37Å; K131-V135 PolarHBondContact O-N 3.44Å
132L97.4Very high95.6Very high22 Ų2259.7 Ų59.712%0.11532%0.319CS..Hα-helixtrans-60.6-46.2-179-161.4-171.1000110.6Q92 L95 L96 E128 A134 V135 L136Q92-L132 HydrophobicContact CG-CD1 3.96Å; L95-L132 HydrophobicContact CB-CD1 3.95Å; L95-L132 HydrophobicContact CB-CD2 3.76Å; L95-L132 HydrophobicContact CB-CG 4.47Å; L96-L132 HydrophobicContact CD2-CD1 3.85Å; L96-L132 HydrophobicContact CD2-CG 4.31Å; L96-L132 HydrophobicContact CG-CD1 3.98Å; E128-L132 VanDerWaalsContact O-CB 3.22Å; E128-L132 WeakPolarHBondContact O-CB 3.48Å; E128-L132 PolarHBondContact O-N 3.27Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-A134 PolarHBondContact O-N 3.28Å; L132-V135 PolarHBondContact O-N 3.44Å; L132-L136 WeakPolarHBondContact O-CB 3.39Å; L132-L136 PolarHBondContact O-N 3.26Å
133A98.1Very high95.4Very high0 Ų053.9 Ų53.90%030%0.298CS..Hα-helixtrans-63.3-36.7176.600000112.8L95 V117 L120 L129 R130 K131 V137L95-A133 HydrophobicContact CD1-CB 4.36Å; V117-A133 HydrophobicContact CG1-CB 3.8Å; V117-A133 WeakPolarHBondContact CG1-O 3.32Å; L120-A133 HydrophobicContact CB-CB 3.94Å; L129-A133 WeakPolarHBondContact O-CB 3.45Å; L129-A133 PolarHBondContact O-N 3Å; R130-A133 PolarHBondContact O-N 3.37Å; K131-A133 PolarHBondContact O-N 3.5Å; A133-V137 WeakPolarHBondContact O-CG2 3.24Å; A133-V137 PolarHBondContact O-N 3.42Å
134A98Very high95.4Very high33 Ų3353.9 Ų53.927%0.27329%0.292SS..Hα-helixtrans-64.4-51.8174.800000111.7R130 K131 L132 L136 V137 D138R130-A134 WeakPolarHBondContact O-CB 3.45Å; R130-A134 PolarHBondContact O-N 3.37Å; K131-A134 WeakPolarHBondContact O-CB 3.48Å; K131-A134 PolarHBondContact O-N 2.87Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-A134 PolarHBondContact O-N 3.28Å; A134-L136 PolarHBondContact O-N 3Å; A134-V137 PolarHBondContact O-N 3.14Å; A134-D138 PolarHBondContact O-N 2.8Å
135V97.8Very high95.4Very high85 Ų8560.1 Ų60.152%0.51531%0.314SS..Hα-helixtrans-56-39.6176.6171.20000111.7K131 L132 D138 G139K131-V135 WeakPolarHBondContact O-CG2 3.37Å; K131-V135 PolarHBondContact O-N 3.44Å; L132-V135 PolarHBondContact O-N 3.44Å; V135-D138 PolarHBondContact O-N 2.97Å; V135-G139 PolarHBondContact O-N 3.36Å
136L97.4Very high95.4Very high6 Ų657.2 Ų57.23%0.03131%0.307CS..Hα-helixtrans-67.6-40.3176.9-174.656.2000112.5L95 L98 Q99 V117 L132 A134 W140L95-L136 HydrophobicContact CD2-CD2 4Å; L98-L136 HydrophobicContact CB-CD2 3.88Å; Q99-L136 HydrophobicContact CB-CD1 3.99Å; Q99-L136 HydrophobicContact CG-CD1 4.32Å; V117-L136 HydrophobicContact CG1-CB 4.3Å; V117-L136 HydrophobicContact CG1-CD2 4.03Å; V117-L136 HydrophobicContact CG1-CG 4.31Å; V117-L136 HydrophobicContact CG2-CD2 4.39Å; L132-L136 WeakPolarHBondContact O-CB 3.39Å; L132-L136 PolarHBondContact O-N 3.26Å; A134-L136 PolarHBondContact O-N 3Å; L136-W140 HydrophobicContact CD1-CD2 4.26Å; L136-W140 HydrophobicContact CD1-CH2 4.31Å; L136-W140 HydrophobicContact CD1-CZ2 3.58Å; L136-W140 HydrophobicContact CD2-CH2 3.75Å; L136-W140 HydrophobicContact CD2-CZ2 3.77Å; L136-W140 HydrophobicContact CD2-CZ3 4.43Å; L136-W140 HydrophobicContact CG-CD2 4.2Å; L136-W140 HydrophobicContact CG-CE3 4.38Å; L136-W140 HydrophobicContact CG-CH2 3.82Å; L136-W140 HydrophobicContact CG-CZ2 3.6Å; L136-W140 HydrophobicContact CG-CZ3 4.2Å; L136-W140 VanDerWaalsContact O-CG 3.28Å; L136-W140 PolarHBondContact O-N 3.03Å; L136-W140 VanDerWaalsContact O-N 3.09Å
137V97.4Very high94.8Very high21 Ų2157.8 Ų57.813%0.12731%0.306CS..Hα-helixtrans-64.4-43.7173.8167.20000111.3V117 K118 A133 A134 W140 M141V117-V137 HydrophobicContact CB-CG2 4.4Å; V117-V137 HydrophobicContact CG1-CG2 3.93Å; K118-V137 HydrophobicContact CB-CG2 4.08Å; A133-V137 WeakPolarHBondContact O-CG2 3.24Å; A133-V137 PolarHBondContact O-N 3.42Å; A134-V137 PolarHBondContact O-N 3.14Å; V137-W140 PolarHBondContact O-N 3.25Å; V137-M141 HydrophobicContact CG1-CG 4.24Å; V137-M141 WeakPolarHBondContact O-CB 3.4Å; V137-M141 VanDerWaalsContact O-CG 3.28Å; V137-M141 WeakPolarHBondContact O-CG 3.44Å; V137-M141 PolarHBondContact O-N 3.17Å
138D97Very high93.6Very high100 Ų10057.1 Ų57.154%0.53531%0.31SS..Hα-helixtrans-67.3-39.1-179.6-76-36.1000112.5A134 V135 M141 A142A134-D138 PolarHBondContact O-N 2.8Å; V135-D138 PolarHBondContact O-N 2.97Å; D138-M141 PolarHBondContact O-N 2.98Å; D138-A142 PolarHBondContact O-N 3.2Å
139G96Very high92.2Very high36 Ų3657 Ų5737%0.37132%0.316SS..Hα-helixtrans-57.9-47.6170.400000112.1V135 A142 T143V135-G139 PolarHBondContact O-N 3.36Å; G139-A142 WeakPolarHBondContact O-CB 3.22Å; G139-A142 PolarHBondContact O-N 3.44Å; G139-T143 PolarHBondContact O-N 3.35Å; G139-T143 PolarHBondContact O-OG1 3.15Å; G139-T143 VanDerWaalsContact O-OG1 3.07Å
140W96.3Very high90.4Very high19 Ų1960.8 Ų60.87%0.07234%0.343CS..Hα-helixtrans-65-38.3175.8-69.1-13.5000113.2L98 L103 L108 T113 A114 V117 L136 V137 A142 T143 I144L98-W140 HydrophobicContact CB-CZ2 4.23Å; L103-W140 HydrophobicContact CD1-CZ2 3.62Å; L108-W140 HydrophobicContact CD1-CB 3.73Å; L108-W140 HydrophobicContact CD1-CD2 4.19Å; L108-W140 HydrophobicContact CD1-CG 3.7Å; L108-W140 HydrophobicContact CD2-CD2 3.62Å; L108-W140 HydrophobicContact CD2-CE3 3.96Å; L108-W140 HydrophobicContact CD2-CG 4Å; L108-W140 HydrophobicContact CD2-CH2 4.39Å; L108-W140 HydrophobicContact CD2-CZ2 4.07Å; L108-W140 HydrophobicContact CD2-CZ3 4.34Å; T113-W140 HydrophobicContact CG2-CH2 3.77Å; T113-W140 HydrophobicContact CG2-CZ3 4.29Å; A114-W140 HydrophobicContact CB-CE3 4.47Å; A114-W140 HydrophobicContact CB-CZ3 4.5Å; V117-W140 HydrophobicContact CB-CH2 4.4Å; V117-W140 HydrophobicContact CB-CZ3 3.9Å; V117-W140 HydrophobicContact CG1-CZ3 4.29Å; V117-W140 HydrophobicContact CG2-CH2 3.84Å; V117-W140 HydrophobicContact CG2-CZ3 3.82Å; L136-W140 HydrophobicContact CD1-CD2 4.26Å; L136-W140 HydrophobicContact CD1-CH2 4.31Å; L136-W140 HydrophobicContact CD1-CZ2 3.58Å; L136-W140 HydrophobicContact CD2-CH2 3.75Å; L136-W140 HydrophobicContact CD2-CZ2 3.77Å; L136-W140 HydrophobicContact CD2-CZ3 4.43Å; L136-W140 HydrophobicContact CG-CD2 4.2Å; L136-W140 HydrophobicContact CG-CE3 4.38Å; L136-W140 HydrophobicContact CG-CH2 3.82Å; L136-W140 HydrophobicContact CG-CZ2 3.6Å; L136-W140 HydrophobicContact CG-CZ3 4.2Å; L136-W140 VanDerWaalsContact O-CG 3.28Å; L136-W140 PolarHBondContact O-N 3.03Å; L136-W140 VanDerWaalsContact O-N 3.09Å; V137-W140 PolarHBondContact O-N 3.25Å; W140-A142 VanDerWaalsContact C-N 3.32Å; W140-A142 PolarHBondContact O-N 2.89Å; W140-T143 PolarHBondContact O-N 3.43Å; W140-I144 WeakPolarHBondContact O-CD1 3.47Å; W140-I144 WeakPolarHBondContact O-CG1 3.5Å; W140-I144 PolarHBondContact O-N 2.99Å
141M95.1Very high88.2Confident80 Ų8061 Ų6139%0.39436%0.358SS..Hα-helixtrans-65.4-34.3173.8-72.3-64.7-6500111.8V137 D138 I144 R145V137-M141 HydrophobicContact CG1-CG 4.24Å; V137-M141 WeakPolarHBondContact O-CB 3.4Å; V137-M141 VanDerWaalsContact O-CG 3.28Å; V137-M141 WeakPolarHBondContact O-CG 3.44Å; V137-M141 PolarHBondContact O-N 3.17Å; D138-M141 PolarHBondContact O-N 2.98Å; M141-I144 HydrophobicContact SD-CD1 4.33Å; M141-R145 WeakPolarHBondContact O-CB 3.35Å; M141-R145 VanDerWaalsContact O-CG 3.31Å; M141-R145 WeakPolarHBondContact O-CG 3.48Å; M141-R145 PolarHBondContact O-N 2.82Å; M141-R145 PolarHBondContact O-NE 3.2Å; M141-R145 VanDerWaalsContact O-NE 3.08Å
142A94.8Very high85.7Confident48 Ų4861.1 Ų61.140%0.39737%0.37SS..Hα-helixtrans-64.9-44.1170.100000111.9D138 G139 W140 I144 R145 S146D138-A142 PolarHBondContact O-N 3.2Å; G139-A142 WeakPolarHBondContact O-CB 3.22Å; G139-A142 PolarHBondContact O-N 3.44Å; W140-A142 VanDerWaalsContact C-N 3.32Å; W140-A142 PolarHBondContact O-N 2.89Å; A142-I144 VanDerWaalsContact C-N 3.34Å; A142-I144 PolarHBondContact O-N 3.3Å; A142-R145 PolarHBondContact O-N 3.33Å; A142-S146 PolarHBondContact O-N 2.8Å; A142-S146 PolarHBondContact O-OG 3Å
143T92Very high83.1Confident45 Ų4564.7 Ų64.728%0.27640%0.398SS..Hα-helixtrans-62.8-36.3175.2-48.70000113.2V105 G139 W140 S146 Q147V105-T143 HydrophobicContact CG2-CG2 4.39Å; G139-T143 PolarHBondContact O-N 3.35Å; G139-T143 PolarHBondContact O-OG1 3.15Å; G139-T143 VanDerWaalsContact O-OG1 3.07Å; W140-T143 PolarHBondContact O-N 3.43Å; T143-S146 PolarHBondContact O-OG 3.49Å; T143-Q147 PolarHBondContact O-N 2.88Å
144I92.7Very high80.4Confident71 Ų7169.3 Ų69.336%0.36443%0.43SS..Hα-helixtrans-68.1-45.8174.9-69.4158.8000110.7V105 L108 W140 M141 A142 S148V105-I144 HydrophobicContact CG1-CG1 4.28Å; V105-I144 HydrophobicContact CG2-CB 4.39Å; V105-I144 HydrophobicContact CG2-CG1 3.83Å; L108-I144 HydrophobicContact CD1-CD1 4.45Å; W140-I144 WeakPolarHBondContact O-CD1 3.47Å; W140-I144 WeakPolarHBondContact O-CG1 3.5Å; W140-I144 PolarHBondContact O-N 2.99Å; M141-I144 HydrophobicContact SD-CD1 4.33Å; A142-I144 VanDerWaalsContact C-N 3.34Å; A142-I144 PolarHBondContact O-N 3.3Å; I144-S148 PolarHBondContact O-N 2.62Å
145R93.6Very high77.2Confident137 Ų13773.4 Ų73.452%0.51746%0.456SS..Hα-helixtrans-62.3-46.5178.7-75.1176.3-67.5-145.50.9111.9M141 A142 Q147 S148 V149M141-R145 WeakPolarHBondContact O-CB 3.35Å; M141-R145 VanDerWaalsContact O-CG 3.31Å; M141-R145 WeakPolarHBondContact O-CG 3.48Å; M141-R145 PolarHBondContact O-N 2.82Å; M141-R145 PolarHBondContact O-NE 3.2Å; M141-R145 VanDerWaalsContact O-NE 3.08Å; A142-R145 PolarHBondContact O-N 3.33Å; R145-Q147 VanDerWaalsContact C-N 3.35Å; R145-Q147 PolarHBondContact O-N 2.97Å; R145-S148 PolarHBondContact O-N 2.87Å; R145-S148 PolarHBondContact O-OG 3.32Å; R145-V149 PolarHBondContact O-N 3.16Å
146S89.3Confident74.9Confident65 Ų6575.7 Ų75.746%0.45547%0.473SS..Hα-helixtrans-60.5-41.8-178.761.10000112.8A142 T143 S148 V149 S150A142-S146 PolarHBondContact O-N 2.8Å; A142-S146 PolarHBondContact O-OG 3Å; T143-S146 PolarHBondContact O-OG 3.49Å; S146-S148 VanDerWaalsContact C-N 3.34Å; S146-S148 PolarHBondContact O-N 3.29Å; S146-V149 PolarHBondContact O-N 3.34Å; S146-S150 PolarHBondContact O-N 3.03Å; S146-S150 PolarHBondContact O-OG 3.3Å
147Q80.7Confident72.2Confident74 Ų7480.5 Ų80.535%0.34651%0.513SS..Hα-helixtrans-64.1-35.6177-71.2-165.3-3.500113.4V105 T143 R145 V149 S150 S151V105-Q147 VanDerWaalsContact CB-OE1 3.29Å; V105-Q147 HydrophobicContact CG2-CB 4.42Å; V105-Q147 HydrophobicContact CG2-CG 4.19Å; T143-Q147 PolarHBondContact O-N 2.88Å; R145-Q147 VanDerWaalsContact C-N 3.35Å; R145-Q147 PolarHBondContact O-N 2.97Å; Q147-V149 PolarHBondContact O-N 2.78Å; Q147-S150 PolarHBondContact O-N 3.05Å; Q147-S151 PolarHBondContact O-N 3.32Å; Q147-S151 VanDerWaalsContact O-N 3.11Å; Q147-S151 PolarHBondContact O-OG 3.4Å
148S69.8Low69.6Low71 Ų7185.5 Ų85.550%0.49754%0.539SS..Hα-helixtrans-62.8-29.2177.667.50000113.7I144 R145 S146 S151I144-S148 PolarHBondContact O-N 2.62Å; R145-S148 PolarHBondContact O-N 2.87Å; R145-S148 PolarHBondContact O-OG 3.32Å; S146-S148 VanDerWaalsContact C-N 3.34Å; S146-S148 PolarHBondContact O-N 3.29Å; S148-S151 WeakPolarHBondContact CA-OG 3.35Å; S148-S151 PolarHBondContact O-OG 3.43Å
149V63.8Low66.9Low100 Ų10088.8 Ų88.861%0.60655%0.549SS*.Hα-helixtrans-81.1-33.1175.6-176.80000111.6R145 S146 Q147 S151 S152R145-V149 PolarHBondContact O-N 3.16Å; S146-V149 PolarHBondContact O-N 3.34Å; Q147-V149 PolarHBondContact O-N 2.78Å; V149-S151 VanDerWaalsContact C-N 3.3Å; V149-S151 PolarHBondContact O-N 2.97Å; V149-S152 PolarHBondContact O-N 3.19Å; V149-S152 PolarHBondContact O-OG 3.1Å
150S57.8Low64Low82 Ų8296.6 Ų96.657%0.57357%0.573SS**Hα-helixtrans-70-25.2174.7-54.10000113.4S146 Q147 S153S146-S150 PolarHBondContact O-N 3.03Å; S146-S150 PolarHBondContact O-OG 3.3Å; Q147-S150 PolarHBondContact O-N 3.05Å; S150-S153 PolarHBondContact O-OG 2.95Å
151S49.7Very low61.1Low89 Ų89105.1 Ų105.162%0.62261%0.61SS**THydrogen-bonded Turntrans-78.9-11.2177.646.40000115Q147 S148 V149Q147-S151 PolarHBondContact O-N 3.32Å; Q147-S151 VanDerWaalsContact O-N 3.11Å; Q147-S151 PolarHBondContact O-OG 3.4Å; S148-S151 WeakPolarHBondContact CA-OG 3.35Å; S148-S151 PolarHBondContact O-OG 3.43Å; V149-S151 VanDerWaalsContact C-N 3.3Å; V149-S151 PolarHBondContact O-N 2.97Å
152S45.2Very low58.3Low99 Ų99110.5 Ų110.569%0.69263%0.631SS**THydrogen-bonded Turntrans-98.82.5-178.752.90000114.6V149V149-S152 PolarHBondContact O-N 3.19Å; V149-S152 PolarHBondContact O-OG 3.1Å
153S43.4Very low55.5Low98 Ų98116.7 Ų116.769%0.68565%0.649SS**SBendtrans-119.28.6-172.358.80000115.7S150S150-S153 PolarHBondContact O-OG 2.95Å
154S40.1Very low52.6Low96 Ų96123.8 Ų123.867%0.67168%0.68SS**  trans-114.889-176.465.30000114.1
155S30.9Very low50Low120 Ų120128.1 Ų128.184%0.83970%0.698SS**  trans-144.6140.2153.8-84.30000108.8
156P50.2Low47Very low132 Ų132126.4 Ų126.486%0.85771%0.707SS**  trans-92.9153.6-163.635.6-36.4000114.8
157A40.2Very low44.2Very low107 Ų107131.7 Ų131.788%0.88472%0.722SS**  trans-135156.6162.200000109.8
158D42.5Very low41.9Very low126 Ų126136.8 Ų136.867%0.67475%0.748SS**  trans-99.3155.8-150.9-128.5-25.4000115.9
159K40.8Very low40Very low170 Ų170138.3 Ų138.374%0.73977%0.765SS**  trans32.3133.4151.1-65154.3-175.280.40120.1
160K34.8Very low38.6Very low200 Ų200140.1 Ų140.187%0.8778%0.776SS**  168.7150.8101.8-167.6166.7-171.9174.60113.2
161K35.4Very low37.5Very low197 Ų197146.9 Ų146.986%0.85779%0.789SS**  trans64.4120.6-171.9-64.7-174.1176.5-176.80113.7
162K36.7Very low36.7Very low193 Ų193149.1 Ų149.184%0.83979%0.794SS**  cis90.698.624.9-166-176.5177-176.50114.9
163K35.8Very low36.4Very low178 Ų178150 Ų15077%0.77480%0.795SS**  trans47.6112.6141.5-171.7-174.6179.7-178.40118.5
164E31.8Very low35.8Very low195 Ų195154.7 Ų154.791%0.91180%0.803SS**  -145.4161.7119.8-153.8155.8143.800111.1
165E36.9Very low35.6Very low161 Ų161156.9 Ų156.975%0.75280%0.803SS**  trans-148.5124.4-171.6174.4-154.8149.200108.4
166S30.9Very low35.7Very low101 Ų101159.3 Ų159.371%0.70680%0.798SS**  trans-178135.4152.1-910000115
167K30.8Very low34.7Very low176 Ų176158.5 Ų158.577%0.76580%0.795SS**  trans43110.4135.7-65.6179.6179175.30119.1
168M32.7Very low34.1Very low182 Ų182156.9 Ų156.990%0.89779%0.79SS**  77.6109.180.8-74.1171.2178.600115.2
169A29.4Very low33.4Very low102 Ų102158.2 Ų158.284%0.84380%0.797SS**  trans-155.4157.9151.400000109.3
170V34.1Very low33Very low139 Ų139157.3 Ų157.384%0.84280%0.795SS**  trans-143.7158.9-173.9-176.10000109.1
171R35.7Very low32.8Very low223 Ų223150.4 Ų150.484%0.84278%0.78SS**  trans87.3147.8176.1-59.7-171170.8150.6-1115.4
172D32.1Very low32.8Very low136 Ų136151.8 Ų151.873%0.72778%0.78SS**  cis-152.2-175.7-6.5-129.6-59.6000114.2
173V39.8Very low32.7Very low119 Ų119151.7 Ų151.772%0.72178%0.78SS**  trans-79.6138.5-170.7172.40000116.4
174K30Very low32.7Very low195 Ų195151.8 Ų151.885%0.84878%0.78SS**  trans-158.8162.6138.9-148.559176.1177.40114.1
175E35.6Very low32.9Very low143 Ų143148.4 Ų148.467%0.66876%0.764SS**  trans-107.1176.7-174.2-43.6172.7100.700114.7
176K33.4Very low32.7Very low170 Ų170151 Ų15174%0.73977%0.773SS**  trans94105.7142.4-84.8174.7-176.1172.40122.6
177S29.4Very low33.1Very low115 Ų115149.9 Ų149.980%0.80477%0.765SS**  55.4137.5121.465.50000123.5
178G27.8Very low33.2Very low74 Ų74151 Ų15176%0.76377%0.77SS**  trans105.1117.3170.200000111.5
179D28.4Very low33.3Very low154 Ų154146.8 Ų146.882%0.82476%0.764SS**  cis96.2121.731.1-164.743.4000114.2
180E31.7Very low33.6Very low151 Ų151150.6 Ų150.671%0.70676%0.764SS**  trans40.3150.4-175.3-71.7-71.4134.200119.4R182E180-R182 IonicContact OE2-NE 2.69Å
181G31.4Very low33.9Very low54 Ų54147.5 Ų147.556%0.55775%0.753SS**  cis165.8138-7.700000113.7
182R35.3Very low34.3Very low227 Ų227142.7 Ų142.786%0.85775%0.75SS**  trans70.9138.2164.1-45.6170.4-170.5-146.5-3.5115.9E180E180-R182 IonicContact OE2-NE 2.69Å
183K33.6Very low34.4Very low191 Ų191141.1 Ų141.183%0.8375%0.75SS**  -161.6147.653.6-84175174.6167.40113.5
184K36.6Very low34.3Very low179 Ų179141.9 Ų141.978%0.77875%0.746SS**  trans48.1157.8136.3-69.7-161167.6-132.80122.3
185E35.7Very low34.2Very low125 Ų125137.9 Ų137.958%0.58474%0.738SS**  cis179.1133.9-24.6174.8-178.4170.300109.3
186K32.1Very low34.4Very low214 Ų214138.2 Ų138.293%0.9374%0.737SS**  trans-154.7152.3138.5-133.6166.1-174172.90111.2
187S38.6Very low34.3Very low78 Ų78135.3 Ų135.355%0.54573%0.729SS.*  trans-149.2162.7-156.1560000114.1
188K33.9Very low34.6Very low201 Ų201140.2 Ų140.287%0.87473%0.729SS**  trans133.7145.8150.7-77.1176.5-180-175.80111.8
189A33.7Very low35Very low92 Ų92140.8 Ų140.876%0.7672%0.722SS**  cis-170.2171.9-5.600000108
190H37.5Very low35.1Very low183 Ų183141.9 Ų141.985%0.84773%0.726SS**  cis-164.7160.5-32.9-172.7-83.5000108
191A39.2Very low34.9Very low73 Ų73137.7 Ų137.760%0.60372%0.724SS**  trans-82.6179.5175.600000113.7
192P45.3Very low34.9Very low122 Ų122142.9 Ų142.979%0.79274%0.737SS**  -136.5-169.487.842.2-29.7000111.5
193S34.5Very low34.8Very low104 Ų104140.2 Ų140.273%0.72774%0.735SS**  cis-153.5168.7-7.225.60000107.2
194H36.6Very low34.7Very low134 Ų134138.9 Ų138.962%0.6273%0.733SS**  cis81.7123.928.5-132.2-97000113.3K196H194-K196 PolarHBondContact NE2-NZ 3.07Å
195T28.9Very low34.3Very low112 Ų112138.2 Ų138.269%0.68773%0.733SS**  -165.6135.452.1-55.40000107.2
196K37.8Very low34Very low150 Ų150136.7 Ų136.765%0.65274%0.742SS**  62.4143.874.7-83.2174.2-174.6165.10113.5H194H194-K196 PolarHBondContact NE2-NZ 3.07Å
197I33.3Very low33.8Very low109 Ų109132 Ų13256%0.55974%0.736SS**  cis-173.6154-1-133.7171.2000112.4
198R34.3Very low33.4Very low217 Ų217134.6 Ų134.682%0.81974%0.744SS**  trans60.8170154.9-71.6176.3-164140.1-1.4120.2
199S35.8Very low33.4Very low87 Ų87131.1 Ų131.161%0.60874%0.742SS**  cis-177.1154.1-25.756.40000113.4
200I31.7Very low33.2Very low176 Ų176132 Ų13290%0.90374%0.738SS**  trans71.8151.4155.4-64.5156.7000118.4
201G27.9Very low34Very low64 Ų64128.7 Ų128.766%0.6673%0.733SS**  trans104.5142.7178.300000113.4
202L31.6Very low34.2Very low162 Ų162130.4 Ų130.485%0.84874%0.738SS**  cis57.3129.223.2-107.577.3000112.3
203E31.6Very low33.5Very low171 Ų171134 Ų13480%0.79974%0.741SS**  cis-147.8172.218.5-60.9174.3-177.400113.5
204M32.8Very low33.3Very low163 Ų163139.1 Ų139.180%0.80375%0.75SS**  trans37.5151.5148.9-127.159.5175.300126.4
205E27.3Very low33.1Very low165 Ų165139.4 Ų139.477%0.77176%0.762SS**  trans-25.7153.3173.1-61.5175.893.800123.3
206A30.6Very low33Very low93 Ų93140.1 Ų140.177%0.76977%0.771SS**  -171131114.400000115.6
207S27Very low32.6Very low116 Ų116138.5 Ų138.581%0.81178%0.779SS**  trans30.5116.2152.462.20000123.9
208N30.7Very low32.5Very low132 Ų132137.9 Ų137.971%0.70679%0.79SS**  trans-31.7158.7145.9-121.6-33.9000116.9
209P34.1Very low32.5Very low128 Ų128133.5 Ų133.583%0.83179%0.789SS**  -145.8156.98538.5-22000118.5
210T28.6Very low32.3Very low111 Ų111137.9 Ų137.968%0.68180%0.8SS**  trans-101.4176.2178.839.90000113.5
211P53.7Low32.4Very low113 Ų113137.4 Ų137.473%0.73480%0.799SS**  cis-115-92.7-15.628.3-6.1000111.6
212P44.7Very low32.4Very low110 Ų110138.1 Ų138.171%0.71481%0.806SS**  cis-118.5121.4-2535.5-17.3000115.8
213K30.4Very low32.6Very low196 Ų196139 Ų13985%0.85281%0.806SS**  trans19.3128.7151.3-59.1174.3-179.1174.80120.8
214K29.2Very low32.6Very low212 Ų212138.9 Ų138.992%0.92280%0.803SS**  -171.8161.8110.6-102.9162.4-172.81760114.3
215T32.9Very low32.6Very low141 Ų141140.3 Ų140.387%0.86580%0.8SS**  trans-109.7153.7-174.148.10000112.6
216S26.7Very low32.7Very low126 Ų126140.3 Ų140.388%0.88180%0.804SS**  trans-159.4161.6150.161.40000111.7
217S30.5Very low32.9Very low117 Ų117143.1 Ų143.182%0.81881%0.805SS**  trans-108.3164.8-176.253.70000112.8
218A31.4Very low33.3Very low95 Ų95146.5 Ų146.579%0.78580%0.804SS**  trans-73.3155.7-175.100000115.4
219P32.8Very low33.6Very low125 Ų125146 Ų14681%0.81281%0.809SS**  trans-99.5178.4149.236.8-29.6000112
220Q33.1Very low34.1Very low179 Ų179145.5 Ų145.584%0.83681%0.805SS**  trans-115.5175.5-166.1-57.5-177.9-33.100115.5
221L32.7Very low34.2Very low167 Ų167148.3 Ų148.387%0.87482%0.815SS**  trans88.2135.8153.5-69.5167.8000119.5
222G28.4Very low33.4Very low79 Ų79151 Ų15181%0.81482%0.823SS**  trans153.683.3-18000000112.2
223E35.6Very low33.1Very low180 Ų180155.4 Ų155.484%0.84183%0.831SS**  trans-70.1158173.1-56.5171.6108.700111.7
224K31.8Very low33.1Very low169 Ų169156.5 Ų156.574%0.73583%0.829SS**  -171.7158.1101.2-62.4-143.1-179.9-177.60111.9
225Y31.6Very low33.8Very low193 Ų193152.6 Ų152.676%0.75783%0.826SS**  trans67.795.5161.3-52.8-60.8000121.4
226I30.9Very low33.5Very low165 Ų165150.4 Ų150.485%0.84682%0.816SS**  trans-137.2136.6137.3-61.4-176.4000108.1
227I34Very low33.7Very low152 Ų152150.2 Ų150.278%0.77982%0.815SS**  trans-128.9148.5176.2-66.8177.2000109.9
228K34.6Very low33.6Very low186 Ų186148 Ų14881%0.80981%0.81SS**  trans-114.9141.3178.5-64.3176.6-179.1176.20112.2
229P37Very low34Very low122 Ų122149.8 Ų149.879%0.79281%0.814SS**  trans-85.7169.616733.6-30.7000112.7
230P45.8Very low34Very low117 Ų117149.4 Ų149.476%0.7681%0.814SS**  -129.9-173.5-124.741.4-26.6000117.5
231L29.5Very low33.6Very low170 Ų170148.9 Ų148.989%0.8982%0.817SS**  trans-121.8150.1171.3-73.4169.3000111
232L38.7Very low33.6Very low170 Ų170144.6 Ų144.689%0.8981%0.805SS**  trans-130.1169.9177.4-67.9175.3000112.1
233K37.1Very low34Very low203 Ų203146.6 Ų146.688%0.88380%0.804SS**  trans-138.9138.8-161-60.1175.2179.9173.40115.6
234R31.1Very low34.3Very low219 Ų219143.5 Ų143.583%0.82680%0.8SS**  trans59.1157.6144.8-109-169176150.93.2119.8
235P43.2Very low34.2Very low130 Ų130142 Ų14284%0.84480%0.799SS**  -129.5-143.464.536.6-17.9000115.9
236S27.9Very low34.3Very low95 Ų95142.1 Ų142.166%0.66481%0.807SS**  trans-158.9150.5-144.7-170.40000116.5
237S30.3Very low34.7Very low122 Ų122143.3 Ų143.385%0.85381%0.806SS**  trans-161.8164.7157.151.40000111.7
238G27.6Very low34.7Very low70 Ų70145.5 Ų145.572%0.72281%0.809SS**  trans-143.5-162.4175.600000110.1
239P39.9Very low34.5Very low133 Ų133148 Ų14886%0.86482%0.815SS**  cis-122.6-142.611.342.4-26.7000112.5
240S32.3Very low34.2Very low116 Ų116151.3 Ų151.381%0.81182%0.817SS**  175.8119.9-88.9179.30000112.5
241D25.9Very low33.9Very low168 Ų168151.8 Ų151.890%0.89882%0.821SS**  trans-150.7167.8151.6-139.6-28.4000113.3
242A32.4Very low33.8Very low77 Ų77152.2 Ų152.264%0.63682%0.823SS**  trans-117.1-178.6-157.600000115.5
243P36.4Very low33.4Very low122 Ų122150.6 Ų150.679%0.79282%0.815SS**  -142.9-155.391.345.7-28.4000113
244P41.8Very low33.1Very low114 Ų114146.4 Ų146.474%0.7481%0.807SS**  -131.7130.4-107.734.9-12.6000119.4
245L29.9Very low33.5Very low138 Ų138142 Ų14272%0.72381%0.806SS**  61.3103.4121.7-142.7170.8000121.7K247L245-K247 HydrophobicContact CD2-CD 4.47Å; L245-K247 HydrophobicContact CD2-CG 3.64Å
246E34.3Very low33Very low196 Ų196141.6 Ų141.692%0.91681%0.807SS**  trans-112.4157.3149.3-77.6-158.913400112
247K39.9Very low33Very low190 Ų190144.7 Ų144.783%0.82682%0.816SS**  trans-109142.1-168.5-65.9176.7-178.7172.20113.6L245L245-K247 HydrophobicContact CD2-CD 4.47Å; L245-K247 HydrophobicContact CD2-CG 3.64Å
248K33.1Very low33Very low197 Ų197142.8 Ų142.886%0.85781%0.807SS**  trans-119.8156.8173.8-63.7178.4179.3177.30110.7
249Y29.7Very low33.1Very low239 Ų239144.7 Ų144.794%0.93781%0.805SS**  trans-135.1167.5156.1-108.9-88.1000112.6
250K32.1Very low33Very low192 Ų192147 Ų14784%0.83580%0.801SS**  trans-123.3159.2-167.9-74.8178176176.70112
251P38.6Very low33Very low127 Ų127149.1 Ų149.183%0.82580%0.798SS**  trans-79157.2173.533.7-36.4000113.5
252L28.5Very low33.4Very low178 Ų178148 Ų14893%0.93279%0.791SS**  trans-144.1-178.3163.5-161.151.6000109.4
253N29.2Very low33.2Very low136 Ų136153.5 Ų153.573%0.72780%0.801SS**  trans-142.2178-141.1-167.313.4000114.5
254T31.1Very low33Very low116 Ų116153.3 Ų153.371%0.71280%0.797SS**  trans79.6162.9166.579.80000117.4
255P39.2Very low32.5Very low126 Ų126157.1 Ų157.182%0.81880%0.802SS**  cis-125.6-168.6-5.538.9-21.4000114.3
256S32.6Very low32.9Very low122 Ų122158.4 Ų158.485%0.85381%0.808SS**  trans-133141.9172.5175.80000111.1
257N27.3Very low33Very low160 Ų160156.3 Ų156.386%0.85680%0.801SS**  trans-158.2167.2160.3-152-16.8000110.3
258A32Very low32.9Very low81 Ų81152.8 Ų152.867%0.66980%0.798SS**  trans-121.6176.3-16900000114
259T29.2Very low32.8Very low111 Ų111148.1 Ų148.168%0.68180%0.796SS**  141.9134117.3-35.10000113.3
260K37Very low33.3Very low180 Ų180142.5 Ų142.578%0.78379%0.789SS**  trans71.8151.8166.3-34.9-175.8-177.9173.30115.5
261E32.8Very low34.1Very low161 Ų161139 Ų13975%0.75279%0.786SS**  cis-133.6129.75.7-73.2-174.5169.300110.7
262I34.5Very low33.8Very low145 Ų145141.8 Ų141.874%0.74479%0.79SS**  60.8112.797.5-53.9161.3000113.4
263K28Very low34.4Very low192 Ų192141.9 Ų141.984%0.83579%0.786SS**  173.6166.275.5-146.5174.1-175.9173.50114.3
264V31.5Very low34.7Very low118 Ų118139.7 Ų139.772%0.71579%0.787SS**  trans77.1101.4158.9-168.30000121.4
265K32.9Very low35.6Very low194 Ų194141 Ų14184%0.84380%0.795SS**  trans34123.9133.2-56.7-175.4177.2-175.60122
266I36.6Very low36.2Very low165 Ų165138.9 Ų138.985%0.84680%0.795SS**  trans-74.5149.3154.6-63.9161.5000110.3
267I37.4Very low36.7Very low152 Ų152141.4 Ų141.478%0.77979%0.791SS**  trans-126.1140.4161.9-63.7179.7000107.9
268P36.6Very low37.5Very low116 Ų116140.5 Ų140.575%0.75379%0.786SS**PPolyproline II helixtrans-69.2156-179.2-18.632.8000113.9
269A31.4Very low38.4Very low99 Ų99143.4 Ų143.482%0.81879%0.79SS**PPolyproline II helixtrans-85.1135.2174.500000112
270P41Very low39.3Very low121 Ų121141.8 Ų141.879%0.78679%0.788SS**PPolyproline II helixtrans-87.5153.1167.335.1-33000111.8
271P48.2Very low39.8Very low120 Ų120139.6 Ų139.678%0.77978%0.784SS**PPolyproline II helixtrans-93158.6173.337.3-34.2000112.5
272M31.9Very low40.7Very low185 Ų185138.1 Ų138.191%0.91178%0.782SS**  trans-172.4167.4135.9-107.1-177.977.700112.1
273E41.4Very low41.4Very low180 Ų180136.4 Ų136.484%0.84178%0.782SS**  trans-97.7166-172.6-52.2164.4133.200111.8
274A36.1Very low42Very low90 Ų90131.7 Ų131.774%0.74478%0.779SS**  166.6135.7124.500000114.5
275T50.5Low42.6Very low143 Ų143132 Ų13288%0.87778%0.783SS**  trans19.9117.4145.859.60000120.6
276G51.9Low42.5Very low81 Ų81129.3 Ų129.384%0.83578%0.783SS**  trans-147.710.2168.900000116.9
277F42.7Very low42.6Very low175 Ų175127 Ų12777%0.76878%0.779SS**SBendtrans-109.3-22.2-172.3-165-103.7000114.8
278L44.6Very low42.3Very low141 Ų141126.6 Ų126.674%0.73877%0.773SS**SBendtrans-81-17.1-170.3-125.1138.1000114.2N282L278-N282 PolarHBondContact O-ND2 2.95Å
279D49.5Very low42.2Very low142 Ų142129.2 Ų129.276%0.75978%0.779SS**G310 helixtrans-79.2-26.8-178.3-161.739.6000112.6L281D279-L281 PolarHBondContact O-N 3.4Å; D279-L281 VanDerWaalsContact O-N 3.12Å
280A49.4Very low42.6Very low78 Ų78131.4 Ų131.465%0.64577%0.77SS**G310 helixtrans-68.4-10.7-178.700000114.6
281L46.6Very low42.4Very low133 Ų133133.3 Ų133.370%0.69677%0.772SS**G310 helixtrans-102.5-4.2-172.7-63.6176.8000114.5D279D279-L281 PolarHBondContact O-N 3.4Å; D279-L281 VanDerWaalsContact O-N 3.12Å
282N51.5Low41.7Very low131 Ų131137.4 Ų137.470%0.70178%0.778SS**  trans-114.514-170.3-72.7-52.5000115.3L278L278-N282 PolarHBondContact O-ND2 2.95Å
283S50.8Low42.2Very low108 Ų108138 Ų13876%0.75578%0.776SS**PPolyproline II helixtrans-98.1134.2179.654.70000113.2
284A39.4Very low41.6Very low93 Ų93139.3 Ų139.377%0.76978%0.778SS**PPolyproline II helixtrans-103.7154.3-169.700000114.2
285P43.9Very low41.9Very low124 Ų124143.7 Ų143.781%0.80578%0.781SS**PPolyproline II helixtrans-102.6134.6-170.237.1-33.2000115.8
286V31.9Very low41.8Very low138 Ų138142 Ų14284%0.83677%0.772SS**  trans-151.7170.4172.5-121.80000110.9
287P38.2Very low41.4Very low116 Ų116144 Ų14475%0.75377%0.771SS**  -128.1-168.4-108.544.2-27.9000117.8
288E30.2Very low40.8Very low144 Ų144139.4 Ų139.467%0.67377%0.772SS**  trans-23.6144.6-177.9-61-169.1118.300121.5K290E288-K290 VanDerWaalsContact CD-CE 3.43Å; E288-K290 WeakPolarHBondContact OE1-CE 3.37Å; E288-K290 IonicContact OE1-NZ 3.83Å; E288-K290 WeakPolarHBondContact OE2-CE 3.49Å; E288-K290 IonicContact OE2-NZ 2.65Å; E288-K290 PolarHBondContact OE2-NZ 3.24Å
289I34.4Very low40.1Very low171 Ų171137.2 Ų137.288%0.87778%0.775SS**  trans-130.7142.6148.8-58.2-179.3000109.9
290K41Very low39.3Very low145 Ų145135.3 Ų135.363%0.6377%0.772SS**  trans-117151.7-172-64.1160.4-179.2154.20111.2E288E288-K290 VanDerWaalsContact CD-CE 3.43Å; E288-K290 WeakPolarHBondContact OE1-CE 3.37Å; E288-K290 IonicContact OE1-NZ 3.83Å; E288-K290 WeakPolarHBondContact OE2-CE 3.49Å; E288-K290 IonicContact OE2-NZ 2.65Å; E288-K290 PolarHBondContact OE2-NZ 3.24Å
291I37.1Very low38.9Very low161 Ų161139 Ų13983%0.82678%0.78SS**  trans-168.9116.4148.6-103.5148.8000115.7
292K33.7Very low39Very low207 Ų207138.1 Ų138.190%0.978%0.782SS**  trans43.3167.6139.1-60.1-178.1-179.7175.60123.6
293K40.7Very low38.1Very low198 Ų198135.9 Ų135.986%0.86178%0.782SS**  trans-142.9157.2-156.2169.5-179.2179.7174.60111.7
294K30.2Very low37.1Very low206 Ų206137.5 Ų137.590%0.89678%0.782SS**  trans-140.5152.5167.3-120.2178.3179.6-178.80112.9
295K42.9Very low36.9Very low182 Ų182138.8 Ų138.879%0.79178%0.78SS**  trans-125.4-170.9172.7-125.2-160.4174.6-175.40107.1
296P47.7Very low36.3Very low109 Ų109142.3 Ų142.371%0.70878%0.783SS**  cis-121.1-151.94.743.9-26.2000110.9
297P43.5Very low36.1Very low123 Ų123140.2 Ų140.280%0.79978%0.78SS**  cis-122.8-168.7-11.929.9-6000112.8
298G29.4Very low35.6Very low78 Ų78141.6 Ų141.680%0.80479%0.786SS**  cis-177.2-44.4-14.800000118
299A30.7Very low35.5Very low95 Ų95139.8 Ų139.879%0.78579%0.789SS**  trans-99.2131.5-165.900000113.5
300S33.2Very low35.9Very low101 Ų101137.2 Ų137.271%0.70678%0.783SS**  cis98.2131.428.375.40000112.6
301I40.3Very low35.2Very low157 Ų157136.3 Ų136.381%0.80579%0.79SS**  cis-176.6168-1.8-125.7166.5000107.7
302P47.9Very low34.9Very low114 Ų114133.8 Ų133.874%0.7479%0.787SS**  cis-133.4-153.6-19.243.5-24.2000114
303A32.9Very low34.6Very low84 Ų84129.4 Ų129.469%0.69478%0.778SS**  trans-61.1177.8175.300000115.3
304N31.1Very low34.1Very low141 Ų141129.3 Ų129.375%0.75478%0.777SS**  cis-153.1-163.435.6-141.71.7000110.7
305T34.5Very low33.8Very low121 Ų121125.3 Ų125.374%0.74277%0.77SS**  cis-143.7-127.217.9-38.90000112.2
306K30.2Very low33.7Very low198 Ų198124.3 Ų124.386%0.86177%0.774SS**  trans-153.2143.1-177.7-57.3171.5-177.6171.90111.4
307A27.5Very low33.3Very low94 Ų94125 Ų12578%0.77778%0.778SS**  trans177.8121147.800000107
308V29.3Very low32.7Very low145 Ų145128.3 Ų128.388%0.87978%0.78SS**  77.4125.967.8176.50000113.6
309S28.3Very low32.8Very low106 Ų106130.9 Ų130.974%0.74178%0.776SS**  trans-68.3-175179.1-31.80000112.7
310P41.6Very low32.6Very low116 Ų116131.7 Ų131.775%0.75378%0.776SS**  cis-144.4-178.915.444-23.2000119
311T27.5Very low32.5Very low126 Ų126136.6 Ų136.677%0.77378%0.784SS**  trans-31137.6156.6-320000116.3
312S29.1Very low33Very low109 Ų109134.5 Ų134.576%0.76278%0.781SS**  169.7150103.953.90000117.9
313T27.3Very low32.2Very low114 Ų114134 Ų13470%0.69979%0.786SS**  trans-27.7151.9168.649.70000123.7
314K30.4Very low31.8Very low196 Ų196133 Ų13385%0.85279%0.785SS**  trans70.4154154.6-65.1166.7177.7-174.80115.3
315T24.9Very low31.6Very low122 Ų122138 Ų13875%0.74880%0.795SS**  cis-146.2172.123.940.50000112.7
316N40.5Very low31.4Very low161 Ų161137.2 Ų137.286%0.86179%0.794SS**  trans-104.6151.9152.4-76.8-8.2000109.5
317P39.4Very low32.3Very low124 Ų124133.1 Ų133.181%0.80579%0.788SS**  -144.2179.3125.834.3-16.5000115.5
318F31.8Very low32.6Very low192 Ų192133.7 Ų133.784%0.84279%0.786SS**  trans-56.2171.7174.1-92.6-132000114.6
319D29.8Very low32.7Very low132 Ų132132.2 Ų132.271%0.70678%0.782SS**  cis-155.7171.814.7-151.5-22000112.1
320S27.5Very low32.6Very low113 Ų113131.8 Ų131.879%0.7979%0.785SS**  trans141.4133136-62.70000116.8
321K31.7Very low31.9Very low203 Ų203137.7 Ų137.788%0.88379%0.792SS**  trans-105.3-166.8165.9-116.3176.7-178.7171.80108.5
322P50.7Low32.9Very low114 Ų114137.1 Ų137.174%0.7479%0.791SS**  cis-141-165.412.844.2-23.9000116.7
323A30.2Very low32.7Very low103 Ų103136.8 Ų136.885%0.85179%0.794SS**  trans71.4144.5163.700000119
324G25.1Very low32.7Very low64 Ų64136.9 Ų136.966%0.6680%0.8SS**  cis152.7146.8-11.300000113
325Y26.4Very low33.6Very low246 Ų246131.9 Ų131.997%0.96579%0.787SS**  trans172.7166.8151.3-107.6-76.1000113.6
326S30Very low33.7Very low104 Ų104134.3 Ų134.373%0.72779%0.79SS**  trans-160.6-176.3176.6-143.30000107.8
327P49.8Very low33.1Very low112 Ų112132.2 Ų132.273%0.72778%0.783SS**  cis-147.6-175.87.745.1-24.4000119.1
328S32.6Very low32.7Very low106 Ų106131.1 Ų131.174%0.74178%0.779SS**  trans81146.8139.9-149.60000126
329S31.4Very low32.6Very low113 Ų113126.6 Ų126.679%0.7978%0.776SS**  trans75.6150.5151.1-67.40000120.6
330A26.8Very low32.6Very low97 Ų97125.3 Ų125.380%0.80278%0.778SS**  cis-161.3-179.6-10.200000113.3
331R26.8Very low32.7Very low241 Ų241125.3 Ų125.391%0.90978%0.778SS**  trans-98.9-165.8170.7-122.7-165180-170.10.9110
332P49.4Very low32.5Very low114 Ų114123.5 Ų123.574%0.7478%0.776SS**  cis-137.3-174.94.344.4-26.6000116.2
333A23.6Very low31.4Very low101 Ų101122.2 Ų122.284%0.83578%0.775SS**  trans171.6164133.300000113.8
334S27.1Very low31.3Very low117 Ų117121.7 Ų121.782%0.81877%0.771SS**  trans-146.1-167.7176-135.50000107.4
335P49.7Very low31.5Very low91 Ų91125.5 Ų125.559%0.59178%0.776SS**  cis-139.3-176.68.244.7-25.3000116.8
336E27.6Very low31.7Very low172 Ų172120.7 Ų120.780%0.80476%0.763SS**  trans49.3161137.6-72.8164.3169.900121.7
337T28.1Very low31.6Very low118 Ų118121.7 Ų121.772%0.72476%0.76SS**  cis-163.6175.2-0.4210000107.2
338S30.8Very low30.5Very low101 Ų101124.4 Ų124.471%0.70676%0.763SS**  cis-178.1165.1-35.8-85.80000109.5
339A29.4Very low30.3Very low96 Ų96128 Ų12879%0.79377%0.768SS**  trans68.3160.1165.900000118.1
340S30.2Very low30.9Very low106 Ų106127.4 Ų127.474%0.74176%0.761SS**  cis-171.8176.6-24.9-93.30000110.8
341S29.3Very low30.8Very low113 Ų113131.3 Ų131.379%0.7976%0.763SS**  trans77.5154.1155.276.30000119.7
342I27.3Very low30.9Very low164 Ų164128.3 Ų128.384%0.84176%0.759SS**  cis-170.6168.1-41.9-114.5160.7000109.6
343A27.5Very low30.7Very low87 Ų87127.6 Ų127.672%0.71976%0.755SS**  trans72.1131.4173.200000115.8
344A29.7Very low30.8Very low93 Ų93130.8 Ų130.877%0.76976%0.757SS**  cis86.8149.245.200000112.3
345D28.3Very low31.1Very low144 Ų144131.2 Ų131.277%0.7775%0.754SS**  cis-151.2-179.19.7-145.5-21.7000112.2
346E29.6Very low30.4Very low145 Ų145133 Ų13368%0.67877%0.766SS**  trans36153.4150.9-75.1-138.693.600123.6
347N29.2Very low30.7Very low125 Ų125132.2 Ų132.267%0.66877%0.766SS**  cis-174.2-179.7-26.9-154.9-11.6000109.6
348Q27.3Very low31.1Very low168 Ų168132.3 Ų132.379%0.78577%0.769SS**  trans83.6146.9154.5-69.417047.800121.9
349E27.2Very low31.1Very low183 Ų183131.2 Ų131.286%0.85577%0.765SS**  trans-105-159.2-174.1-126.2-169.898.700108.6
350P44.1Very low31.2Very low99 Ų99135.3 Ų135.364%0.64377%0.768SS**  cis-138.5-167.5-4.123.94000116
351E24.4Very low31.4Very low180 Ų180137.2 Ų137.284%0.84177%0.77SS**  trans95.1150150.1-56.4-143.5100.300122.3
352Q29.6Very low32.2Very low177 Ų177136.8 Ų136.883%0.82777%0.765SS**  trans-130.4-160.9173.1-47.6-174.5-2.800107
353P45.3Very low32.6Very low100 Ų100135.2 Ų135.265%0.64976%0.758SS**  cis-130.1-175.5-19.835.1-15.9000112.8
354L26.4Very low32.8Very low167 Ų167137 Ų13787%0.87476%0.76SS**  163.5156.9125.3-87167.3000112.5
355T31.7Very low32.9Very low126 Ų126137.2 Ų137.277%0.77376%0.762SS**  trans-124152.5168.652.20000109.9
356P34.8Very low33Very low128 Ų128136.5 Ų136.583%0.83176%0.758SS**  -145173.2112.237.2-22.1000114.8
357I34.8Very low32.9Very low157 Ų157136.7 Ų136.781%0.80576%0.763SS**  trans-110.4147.1174.2-41.5172.5000107.7
358P36.5Very low33Very low120 Ų120135.8 Ų135.878%0.77976%0.763SS**  -150.8127.1117.234-15000117.1
359A31.8Very low33.3Very low77 Ų77137 Ų13764%0.63677%0.769SS**  75.6163.111800000123.8
360E29.6Very low33.6Very low182 Ų182137.4 Ų137.485%0.8577%0.767SS**  trans71.9131.8166.6-45.5-5176.100122.7
361D34.5Very low33.1Very low147 Ų147138.8 Ų138.879%0.78678%0.776SS**  trans-116159169.1-178.924.9000106.6
362P47.4Very low33.2Very low104 Ų104137.9 Ų137.968%0.67578%0.777SS**  -158.6162.8107.640.3-21.2000119.4
363D34.2Very low33.6Very low130 Ų130133.7 Ų133.770%0.69577%0.773SS**  trans87.5100.5134.6-79.2-18.2000124.7
364T32.9Very low33.2Very low126 Ų126137.1 Ų137.177%0.77379%0.785SS**  93.4147.6118.962.70000124.4
365A32.5Very low33.4Very low97 Ų97133.8 Ų133.880%0.80278%0.782SS**  trans64.5124.9163.300000118
366D30.2Very low33.6Very low129 Ų129136.5 Ų136.569%0.6979%0.785SS**  cis120.1103.610.6178.131.9000110.7
367N27Very low33.5Very low148 Ų148136.4 Ų136.479%0.79179%0.785SS**  -159.3118.6129.6-117.8-88.8000114.1
368T31.4Very low33.2Very low106 Ų106139.8 Ų139.865%0.6579%0.787SS**  trans-10.1127.2149.2-55.20000118.8
369E32.7Very low33.1Very low195 Ų195138.6 Ų138.691%0.91179%0.788SS**  -154166125.5-123179.5-162.700113
370K33.6Very low33.2Very low190 Ų190142.5 Ų142.583%0.82680%0.798SS**PPolyproline II helixtrans-99.1139-162-62.4170.1-176.2166.70113.5N372K370-N372 PolarHBondContact O-N 3.42Å
371P33.5Very low33.4Very low129 Ų129142.3 Ų142.384%0.83880%0.797SS**PPolyproline II helixtrans-73.4119.8165.530.4-32.3000110.6
372N27.4Very low33.7Very low161 Ų161142 Ų14286%0.86179%0.791SS**PPolyproline II helixtrans-87.2117.7172.2-17218.6000110K370 L374K370-N372 PolarHBondContact O-N 3.42Å; N372-L374 PolarHBondContact O-N 2.84Å
373A37.4Very low32.9Very low89 Ų89142.5 Ų142.574%0.73680%0.797SS**  trans-91.895.2-174.400000111.9
374L36.2Very low33.1Very low171 Ų171142.9 Ų142.990%0.89580%0.798SS**  trans-173.997.4153.8-106.3163.9000111.1N372N372-L374 PolarHBondContact O-N 2.84Å
375A31.1Very low33.3Very low98 Ų98143.4 Ų143.481%0.8180%0.802SS**  trans-150.112416600000109.6
376E36.3Very low34Very low182 Ų182148.5 Ų148.585%0.8581%0.806SS**  trans-76.3129.8171.3-64.4-175.5142.900109.8R378E376-R378 PolarHBondContact O-N 2.96Å
377P32.5Very low34.9Very low127 Ų127152.7 Ų152.783%0.82582%0.818SS**  trans-72.5110.5166.429.5-31.1000109
378R29.1Very low36Very low227 Ų227148.9 Ų148.986%0.85781%0.813SS**  trans-64.9156.8163.3-78.4-177.6171162.6-1.6109.9E376E376-R378 PolarHBondContact O-N 2.96Å
379A33.9Very low37.4Very low95 Ų95153.9 Ų153.979%0.78583%0.826SS**  trans-74.4130.317300000110.4
380D33.4Very low39Very low160 Ų160154.1 Ų154.186%0.85682%0.824SS**  trans-115.4140.5162.4-77.6-50.2000108.8
381E34.8Very low40.6Very low178 Ų178153.9 Ų153.983%0.83282%0.823SS**  trans-87.1175.5-168.3-81.5-81.3114.900114.2
382E40.2Very low42.3Very low139 Ų139155.7 Ų155.765%0.6582%0.818SS**  trans-44.8145.1-169.4-62.4-169.2115.800118.3L384E382-L384 HydrophobicContact CB-CG 4.36Å; E382-L384 VanDerWaalsContact OE1-CD2 3.3Å; E382-L384 WeakPolarHBondContact OE1-CD2 3.22Å; E382-L384 WeakPolarHBondContact OE2-CD1 3.29Å
383S29.8Very low44.2Very low116 Ų116152.3 Ų152.381%0.81180%0.803SS**  trans-118.1104.3140.753.40000110.8T385S383-T385 PolarHBondContact O-N 3.19Å
384L39.5Very low45.6Very low137 Ų137153.7 Ų153.772%0.71780%0.802SS**  trans-75.6112.8-177.8-81.3167.3000112.3E382E382-L384 HydrophobicContact CB-CG 4.36Å; E382-L384 VanDerWaalsContact OE1-CD2 3.3Å; E382-L384 WeakPolarHBondContact OE1-CD2 3.22Å; E382-L384 WeakPolarHBondContact OE2-CD1 3.29Å
385T37.4Very low47.6Very low138 Ų138153 Ų15385%0.84779%0.794SS**  trans-123.3132.3163.652.60000111.4S383S383-T385 PolarHBondContact O-N 3.19Å
386K47Very low49.9Very low203 Ų203158.4 Ų158.488%0.88379%0.793SS**  trans-86157.2-172.5-69.4174.2179.81700111.9
387K49.7Very low52Low218 Ų218152 Ų15295%0.94877%0.772SS**  trans73.783.9172.3-57-179.8178.7177.50116.4
388G50.1Low54.4Low67 Ų67152.7 Ų152.769%0.69176%0.764SS**  trans-176.2109.9159.300000111.7K390G388-K390 VanDerWaalsContact C-N 3.32Å; G388-K390 PolarHBondContact O-N 3.46Å
389K60Low56.5Low211 Ų211148.5 Ų148.592%0.91775%0.754SS**  trans-71.790.3171.9-73.2-173179.2-178.60108.5K391K389-K391 PolarHBondContact O-N 3.04Å
390K66Low58.6Low201 Ų201152.2 Ų152.287%0.87476%0.755SS**  trans-50.4112.5172.3-65.2-174.3-178.9-178.10108G388 K392G388-K390 VanDerWaalsContact C-N 3.32Å; G388-K390 PolarHBondContact O-N 3.46Å; K390-K392 PolarHBondContact O-N 2.9Å
391K67.1Low60.5Low184 Ų184151.2 Ų151.280%0.875%0.746SS**  trans-61.3128.5178.5-66.5177.4-177.1173.30107.3K389 T393K389-K391 PolarHBondContact O-N 3.04Å; K391-T393 VanDerWaalsContact C-N 3.26Å; K391-T393 PolarHBondContact O-N 2.92Å
392K69.6Low62.7Low167 Ų167147.7 Ų147.773%0.72673%0.732SS**  trans-70.885.5172.9-69.4-173177.6-175.30108.9K390K390-K392 PolarHBondContact O-N 2.9Å
393T66.4Low64.6Low91 Ų91145.1 Ų145.156%0.55872%0.718SS**  trans-79120.8174.236.40000109.6K391 H395K391-T393 VanDerWaalsContact C-N 3.26Å; K391-T393 PolarHBondContact O-N 2.92Å; T393-H395 PolarHBondContact O-N 3.11Å; T393-H395 PolarHBondContact OG1-CE1 3.36Å; T393-H395 VanDerWaalsContact OG1-CE1 3.27Å
394V68.5Low66.8Low117 Ų117146.9 Ų146.971%0.70971%0.714SS**  trans-80104.9170.8178.80000107.3
395H76.8Confident68.7Low156 Ų156147.6 Ų147.672%0.72271%0.708SS**PPolyproline II helixtrans-94.2136.1163.8-56.3108.8000108.1T393T393-H395 PolarHBondContact O-N 3.11Å; T393-H395 PolarHBondContact OG1-CE1 3.36Å; T393-H395 VanDerWaalsContact OG1-CE1 3.27Å
396W80.4Confident70.3Confident212 Ų212149.4 Ų149.480%0.80370%0.704SS**PPolyproline II helixtrans-80.7148.8166.3-60.795.4000108.4
397A79.8Confident71.4Confident49 Ų49148.6 Ų148.641%0.40570%0.697SS.*PPolyproline II helixtrans-62.4153.3167.700000110Q401 L402A397-Q401 HydrophobicContact CB-CB 4.03Å; A397-L402 VanDerWaalsContact O-CD1 3.23Å; A397-L402 WeakPolarHBondContact O-CD1 3.45Å
398E83Confident72.2Confident141 Ų141147 Ų14766%0.65969%0.69SS**PPolyproline II helixtrans-66158.9-178.6-63.4179.4151.300111.4E400 Q401 L402E398-E400 PolarHBondContact O-N 3.37Å; E398-Q401 PolarHBondContact O-N 3.47Å; E398-L402 PolarHBondContact O-N 3.49Å
399E73.4Confident73.1Confident138 Ų138151 Ų15165%0.64570%0.696SS**THydrogen-bonded Turntrans-63.5-19.6-167.7-145.1-156.1122.700114.2K403E399-K403 PolarHBondContact O-NZ 2.76Å; E399-K403 IonicContact OE1-NZ 3.05Å; E399-K403 PolarHBondContact OE1-NZ 3.27Å
400E76.9Confident73.3Confident174 Ų174146.6 Ų146.681%0.81368%0.682SS**THydrogen-bonded Turntrans-78.2-40173.6-54.9-169.4168.200111.6E398E398-E400 PolarHBondContact O-N 3.37Å
401Q73.6Confident73.2Confident139 Ų139140.9 Ų140.965%0.6566%0.661SS**THydrogen-bonded Turntrans-77.9-21.8177.7-62.5-179.97.100112.8A397 E398 K403A397-Q401 HydrophobicContact CB-CB 4.03Å; E398-Q401 PolarHBondContact O-N 3.47Å; Q401-K403 PolarHBondContact O-N 3.15Å
402L81.2Confident73Confident104 Ų104140.4 Ų140.455%0.54566%0.662SS.*THydrogen-bonded Turntrans-65.4-8.4172.8-90163.5000114.3A397 E398A397-L402 VanDerWaalsContact O-CD1 3.23Å; A397-L402 WeakPolarHBondContact O-CD1 3.45Å; E398-L402 PolarHBondContact O-N 3.49Å
403K80.1Confident72.4Confident84 Ų84136.2 Ų136.237%0.36565%0.65SS.*  trans-129.396.3-174.2-54.7-174.2-163.790.20111.2E399 Q401 Y405E399-K403 PolarHBondContact O-NZ 2.76Å; E399-K403 IonicContact OE1-NZ 3.05Å; E399-K403 PolarHBondContact OE1-NZ 3.27Å; Q401-K403 PolarHBondContact O-N 3.15Å; K403-Y405 HydrophobicContact CB-CD2 4.41Å; K403-Y405 HydrophobicContact CB-CE2 3.67Å; K403-Y405 VanDerWaalsContact CD-OH 3.32Å; K403-Y405 WeakPolarHBondContact CD-OH 3.38Å; K403-Y405 WeakPolarHBondContact O-CD2 3.29Å
404H75.9Confident72.4Confident154 Ų154137.7 Ų137.771%0.71365%0.651SS**  trans-90.3113.2173.1-160.568.6000110.4F406H404-F406 AromaticContact CD2-CE1 3.97Å; H404-F406 AromaticContact CD2-CE2 3.64Å; H404-F406 AromaticContact CD2-CZ 3.51Å; H404-F406 AromaticContact NE2-CE1 3.88Å; H404-F406 AromaticContact NE2-CZ 3.78Å
405Y79.6Confident72Confident151 Ų151140.3 Ų140.359%0.59265%0.648SS**  trans-93.6104-176.7-63.8-85.3000110.9K403 Y407K403-Y405 HydrophobicContact CB-CD2 4.41Å; K403-Y405 HydrophobicContact CB-CE2 3.67Å; K403-Y405 VanDerWaalsContact CD-OH 3.32Å; K403-Y405 WeakPolarHBondContact CD-OH 3.38Å; K403-Y405 WeakPolarHBondContact O-CD2 3.29Å; Y405-Y407 PolarHBondContact O-N 2.75Å
406F71.3Confident71Confident176 Ų176135.9 Ų135.977%0.77263%0.631SS**  trans-80.5111.9162.3-68.3-70.6000109.2H404H404-F406 AromaticContact CD2-CE1 3.97Å; H404-F406 AromaticContact CD2-CE2 3.64Å; H404-F406 AromaticContact CD2-CZ 3.51Å; H404-F406 AromaticContact NE2-CE1 3.88Å; H404-F406 AromaticContact NE2-CZ 3.78Å
407Y71.2Confident69.8Low187 Ų187130.7 Ų130.773%0.73362%0.619SS**PPolyproline II helixtrans-78.8134.1163-58.7-84.1000108Y405Y405-Y407 PolarHBondContact O-N 2.75Å
408F65.5Low68.7Low183 Ų183133.1 Ų133.180%0.80363%0.629SS**PPolyproline II helixtrans-79.3117.1158.144.4-87.7000106.5L410F408-L410 PolarHBondContact O-N 2.89Å
409D69.1Low67.4Low151 Ų151133.2 Ų133.281%0.80763%0.634SS**PPolyproline II helixtrans-60.2124.8166.7-70.3-40.5000107.5D411D409-D411 VanDerWaalsContact C-N 3.27Å; D409-D411 PolarHBondContact O-N 3.09Å
410L63.1Low66.8Low119 Ų119134.4 Ų134.462%0.62364%0.637SS**  trans-77.386.6-177.4-162.5166.4000107.6F408 E412F408-L410 PolarHBondContact O-N 2.89Å; L410-E412 PolarHBondContact O-N 3.44Å
411D65.2Low66Low82 Ų82129.6 Ų129.644%0.43962%0.616SS.*  trans-56.8106.5-177.6-171.6-17.6000110.1D409 T413 E414D409-D411 VanDerWaalsContact C-N 3.27Å; D409-D411 PolarHBondContact O-N 3.09Å; D411-T413 VanDerWaalsContact CG-OG1 3.25Å; D411-T413 PolarHBondContact O-N 3.25Å; D411-T413 VanDerWaalsContact O-N 3.08Å; D411-T413 WeakPolarHBondContact OD1-CA 3.48Å; D411-T413 VanDerWaalsContact OD1-CB 3.26Å; D411-T413 WeakPolarHBondContact OD1-CB 3.3Å; D411-T413 WeakPolarHBondContact OD1-CG2 3.39Å; D411-T413 PolarHBondContact OD1-N 3.22Å; D411-T413 PolarHBondContact OD1-OG1 2.94Å; D411-T413 PolarHBondContact OD2-OG1 3.46Å; D411-E414 HydrophobicContact CB-CB 4.49Å; D411-E414 WeakPolarHBondContact O-CB 3.39Å; D411-E414 PolarHBondContact O-N 2.91Å
412E62.3Low65.3Low174 Ų174131.8 Ų131.881%0.81362%0.624SS**G310 helixtrans-62-17.9-179.9-59.3-168.9152.500111.8L410L410-E412 PolarHBondContact O-N 3.44Å
413T57Low64.5Low78 Ų78131 Ų13148%0.47962%0.62SS.*G310 helixtrans-79.2-19.3174.778.60000113.7D411 R415 V416D411-T413 VanDerWaalsContact CG-OG1 3.25Å; D411-T413 PolarHBondContact O-N 3.25Å; D411-T413 VanDerWaalsContact O-N 3.08Å; D411-T413 WeakPolarHBondContact OD1-CA 3.48Å; D411-T413 VanDerWaalsContact OD1-CB 3.26Å; D411-T413 WeakPolarHBondContact OD1-CB 3.3Å; D411-T413 WeakPolarHBondContact OD1-CG2 3.39Å; D411-T413 PolarHBondContact OD1-N 3.22Å; D411-T413 PolarHBondContact OD1-OG1 2.94Å; D411-T413 PolarHBondContact OD2-OG1 3.46Å; T413-R415 PolarHBondContact O-N 3.26Å; T413-R415 VanDerWaalsContact O-N 3.09Å; T413-V416 WeakPolarHBondContact O-CB 3.36Å; T413-V416 PolarHBondContact O-N 2.89Å
414E66Low63.9Low123 Ų123133.6 Ų133.658%0.57563%0.632SS**G310 helixtrans-55.3-31.1176.5-165.9-145.4147.500112.1D411D411-E414 HydrophobicContact CB-CB 4.49Å; D411-E414 WeakPolarHBondContact O-CB 3.39Å; D411-E414 PolarHBondContact O-N 2.91Å
415R60.6Low64.2Low172 Ų172129.1 Ų129.165%0.64963%0.627SS**G310 helixtrans-111.415.1-179.3-66-178.8-176.865.425.1113.7T413 N417T413-R415 PolarHBondContact O-N 3.26Å; T413-R415 VanDerWaalsContact O-N 3.09Å; R415-N417 PolarHBondContact O-N 3.46Å
416V56.5Low64.2Low62 Ų62127.1 Ų127.138%0.37662%0.623SS.*SBendtrans-72.7123.4167.4169.80000108.7T413 V418 K420T413-V416 WeakPolarHBondContact O-CB 3.36Å; T413-V416 PolarHBondContact O-N 2.89Å; V416-V418 PolarHBondContact O-N 3.47Å; V416-K420 HydrophobicContact CG1-CB 3.68Å
417N55.2Low64.5Low103 Ų103121.1 Ų121.155%0.55161%0.606SS**  trans-48.6131175.1179.6-0.2000110.5R415 N419 K420R415-N417 PolarHBondContact O-N 3.46Å; N417-N419 PolarHBondContact O-N 3.21Å; N417-K420 PolarHBondContact O-N 2.86Å
418V56.9Low65.1Low101 Ų101114.6 Ų114.661%0.61259%0.59SS**G310 helixtrans-49.7-30.1-173.3-66.60000114V416 K420 I421V416-V418 PolarHBondContact O-N 3.47Å; V418-K420 PolarHBondContact O-N 3.43Å; V418-I421 HydrophobicContact CB-CD1 4.25Å; V418-I421 HydrophobicContact CG1-CD1 4.34Å; V418-I421 PolarHBondContact O-N 2.82Å
419N55.9Low66.2Low142 Ų142113 Ų11376%0.75958%0.583SS**G310 helixtrans-71.38174.9-64.6-2.4000114.6N417N417-N419 PolarHBondContact O-N 3.21Å
420K60.2Low67Low164 Ų164112.4 Ų112.471%0.71357%0.57SS**G310 helixtrans-13411.7178.9-72.5-170.7177.2-178.60114.6V416 N417 V418 K422V416-K420 HydrophobicContact CG1-CB 3.68Å; N417-K420 PolarHBondContact O-N 2.86Å; V418-K420 PolarHBondContact O-N 3.43Å; K420-K422 PolarHBondContact O-N 2.91Å; K420-K422 VanDerWaalsContact O-N 3.12Å
421I59.1Low68.1Low72 Ų72113 Ų11337%0.36957%0.569SS.*  trans-64.8113175.3-60.2165.1000109.2V418 F424V418-I421 HydrophobicContact CB-CD1 4.25Å; V418-I421 HydrophobicContact CG1-CD1 4.34Å; V418-I421 PolarHBondContact O-N 2.82Å; I421-F424 HydrophobicContact CB-CD2 4.22Å; I421-F424 HydrophobicContact CB-CE1 4.49Å; I421-F424 HydrophobicContact CB-CE2 3.59Å; I421-F424 HydrophobicContact CB-CZ 3.75Å; I421-F424 HydrophobicContact CD1-CE1 4.31Å; I421-F424 HydrophobicContact CD1-CZ 3.91Å; I421-F424 HydrophobicContact CG1-CZ 4.45Å; I421-F424 HydrophobicContact CG2-CD1 4.14Å; I421-F424 HydrophobicContact CG2-CD2 3.68Å; I421-F424 HydrophobicContact CG2-CE1 3.99Å; I421-F424 HydrophobicContact CG2-CE2 3.52Å; I421-F424 HydrophobicContact CG2-CG 3.99Å; I421-F424 HydrophobicContact CG2-CZ 3.69Å; I421-F424 WeakPolarHBondContact O-CE2 3.45Å
422K60.4Low69.4Low186 Ų186115 Ų11581%0.80958%0.579SS**  trans-88.6-24.2172.7-92.1-176.6169.9-178.20113K420K420-K422 PolarHBondContact O-N 2.91Å; K420-K422 VanDerWaalsContact O-N 3.12Å
423D64Low70.7Confident88 Ų88112.6 Ų112.647%0.47157%0.569SS.*  trans-106.823.6-153.5-48.6-64.3000113.5G425 E426 A427D423-G425 PolarHBondContact O-N 3.2Å; D423-G425 VanDerWaalsContact O-N 3.13Å; D423-E426 PolarHBondContact O-N 3.11Å; D423-A427 PolarHBondContact O-N 3.26Å
424F67.9Low72.2Confident138 Ų138114.3 Ų114.361%0.60557%0.574SS**Hα-helixtrans-48.6-37.8170.9-71-73.2000112.5I421 E426 A427 A428I421-F424 HydrophobicContact CB-CD2 4.22Å; I421-F424 HydrophobicContact CB-CE1 4.49Å; I421-F424 HydrophobicContact CB-CE2 3.59Å; I421-F424 HydrophobicContact CB-CZ 3.75Å; I421-F424 HydrophobicContact CD1-CE1 4.31Å; I421-F424 HydrophobicContact CD1-CZ 3.91Å; I421-F424 HydrophobicContact CG1-CZ 4.45Å; I421-F424 HydrophobicContact CG2-CD1 4.14Å; I421-F424 HydrophobicContact CG2-CD2 3.68Å; I421-F424 HydrophobicContact CG2-CE1 3.99Å; I421-F424 HydrophobicContact CG2-CE2 3.52Å; I421-F424 HydrophobicContact CG2-CG 3.99Å; I421-F424 HydrophobicContact CG2-CZ 3.69Å; I421-F424 WeakPolarHBondContact O-CE2 3.45Å; F424-E426 VanDerWaalsContact C-N 3.32Å; F424-E426 PolarHBondContact O-N 3.47Å; F424-A427 PolarHBondContact O-N 3.48Å; F424-A428 WeakPolarHBondContact O-CB 3.44Å; F424-A428 PolarHBondContact O-N 3.18Å
425G81.4Confident73.4Confident60 Ų60113.5 Ų113.562%0.61957%0.573SS**Hα-helixtrans-68.5-25.8177.300000114.3D423 K429D423-G425 PolarHBondContact O-N 3.2Å; D423-G425 VanDerWaalsContact O-N 3.13Å; G425-K429 WeakPolarHBondContact O-CB 3.49Å; G425-K429 PolarHBondContact O-N 3.49Å
426E80.1Confident74.9Confident109 Ų109113 Ų11351%0.50957%0.571SS.*Hα-helixtrans-85.6-39.5173.6-162.9-178.5132.400111.6D423 F424 A428 K429 R430D423-E426 PolarHBondContact O-N 3.11Å; F424-E426 VanDerWaalsContact C-N 3.32Å; F424-E426 PolarHBondContact O-N 3.47Å; E426-A428 PolarHBondContact O-N 3.32Å; E426-K429 WeakPolarHBondContact O-CB 3.37Å; E426-K429 PolarHBondContact O-N 3.22Å; E426-R430 WeakPolarHBondContact O-CB 3.5Å; E426-R430 PolarHBondContact O-N 2.98Å; E426-R430 IonicContact OE1-CZ 3.86Å; E426-R430 IonicContact OE1-NH2 2.66Å; E426-R430 PolarHBondContact OE1-NH2 3.31Å
427A77.5Confident76.5Confident49 Ų49114.5 Ų114.541%0.40557%0.574SS.*Hα-helixtrans-55.8-51.6172.500000111.3D423 F424 K429 R430 E431D423-A427 PolarHBondContact O-N 3.26Å; F424-A427 PolarHBondContact O-N 3.48Å; A427-K429 VanDerWaalsContact C-N 3.28Å; A427-K429 PolarHBondContact O-N 3.02Å; A427-R430 WeakPolarHBondContact O-CB 3.48Å; A427-R430 PolarHBondContact O-N 3.28Å; A427-R430 VanDerWaalsContact O-N 3.08Å; A427-E431 WeakPolarHBondContact O-CB 3.43Å; A427-E431 PolarHBondContact O-N 3.41Å
428A83.7Confident78Confident50 Ų50113.7 Ų113.741%0.41357%0.573SS.*Hα-helixtrans-62.8-31.917700000113.1F424 E426 L432F424-A428 WeakPolarHBondContact O-CB 3.44Å; F424-A428 PolarHBondContact O-N 3.18Å; E426-A428 PolarHBondContact O-N 3.32Å; A428-L432 VanDerWaalsContact O-CB 3.23Å; A428-L432 WeakPolarHBondContact O-CB 3.49Å; A428-L432 PolarHBondContact O-N 3.19Å
429K88.9Confident79.4Confident149 Ų149115.7 Ų115.765%0.64857%0.573SS**Hα-helixtrans-69.6-36.2173.9-178.5-171.3178.4-1640111.9G425 E426 A427 M433G425-K429 WeakPolarHBondContact O-CB 3.49Å; G425-K429 PolarHBondContact O-N 3.49Å; E426-K429 WeakPolarHBondContact O-CB 3.37Å; E426-K429 PolarHBondContact O-N 3.22Å; A427-K429 VanDerWaalsContact C-N 3.28Å; A427-K429 PolarHBondContact O-N 3.02Å; K429-M433 WeakPolarHBondContact O-CB 3.32Å; K429-M433 PolarHBondContact O-N 3.22Å; K429-M433 VanDerWaalsContact O-N 3.17Å
430R84.4Confident80.9Confident139 Ų139111.9 Ų111.953%0.52555%0.551SS.*Hα-helixtrans-70.1-44.6177.2-162.4179.3-59.4132.60.9110.9E426 A427 M433 M434E426-R430 WeakPolarHBondContact O-CB 3.5Å; E426-R430 PolarHBondContact O-N 2.98Å; E426-R430 IonicContact OE1-CZ 3.86Å; E426-R430 IonicContact OE1-NH2 2.66Å; E426-R430 PolarHBondContact OE1-NH2 3.31Å; A427-R430 WeakPolarHBondContact O-CB 3.48Å; A427-R430 PolarHBondContact O-N 3.28Å; A427-R430 VanDerWaalsContact O-N 3.08Å; R430-M433 WeakPolarHBondContact O-CB 3.31Å; R430-M433 PolarHBondContact O-N 3.48Å; R430-M434 WeakPolarHBondContact O-CG 3.45Å; R430-M434 PolarHBondContact O-N 3.28Å
431E87.6Confident81.9Confident131 Ų131109.2 Ų109.261%0.61254%0.543SS*.Hα-helixtrans-57.5-53.4172.2-175.4174-146.800111.6A427 M433 M434 D435A427-E431 WeakPolarHBondContact O-CB 3.43Å; A427-E431 PolarHBondContact O-N 3.41Å; E431-M433 PolarHBondContact O-N 2.9Å; E431-M433 VanDerWaalsContact O-N 3.11Å; E431-M434 WeakPolarHBondContact O-CB 3.43Å; E431-M434 PolarHBondContact O-N 3.3Å; E431-D435 PolarHBondContact O-N 3.08Å
432L91.2Very high82.9Confident124 Ų124108.4 Ų108.465%0.64955%0.546SS*.Hα-helixtrans-56.3-30.5175.6-178.265.2000113.3A428 R436A428-L432 VanDerWaalsContact O-CB 3.23Å; A428-L432 WeakPolarHBondContact O-CB 3.49Å; A428-L432 PolarHBondContact O-N 3.19Å; L432-R436 WeakPolarHBondContact O-CB 3.42Å; L432-R436 PolarHBondContact O-N 2.89Å; L432-R436 VanDerWaalsContact O-N 3.09Å
433M90.2Very high84Confident124 Ų124106.5 Ų106.561%0.61153%0.534SS*.Hα-helixtrans-77.6-34.3177.2-166.1163.6-17900112.4K429 R430 E431 Q437K429-M433 WeakPolarHBondContact O-CB 3.32Å; K429-M433 PolarHBondContact O-N 3.22Å; K429-M433 VanDerWaalsContact O-N 3.17Å; R430-M433 WeakPolarHBondContact O-CB 3.31Å; R430-M433 PolarHBondContact O-N 3.48Å; E431-M433 PolarHBondContact O-N 2.9Å; E431-M433 VanDerWaalsContact O-N 3.11Å; M433-Q437 WeakPolarHBondContact O-CG 3.45Å; M433-Q437 PolarHBondContact O-N 3.03Å; M433-Q437 VanDerWaalsContact O-N 3.09Å
434M88.1Confident84.6Confident115 Ų115111.6 Ų111.657%0.56755%0.547SS*.Hα-helixtrans-68.5-44.4171.6-69.2-68.7-72.400111.6R430 E431 R436 Q437 T438R430-M434 WeakPolarHBondContact O-CG 3.45Å; R430-M434 PolarHBondContact O-N 3.28Å; E431-M434 WeakPolarHBondContact O-CB 3.43Å; E431-M434 PolarHBondContact O-N 3.3Å; M434-R436 VanDerWaalsContact C-N 3.32Å; M434-R436 PolarHBondContact O-N 3.45Å; M434-Q437 PolarHBondContact O-N 3.44Å; M434-T438 WeakPolarHBondContact O-CB 3.42Å; M434-T438 PolarHBondContact O-N 2.93Å; M434-T438 PolarHBondContact O-OG1 3.43Å
435D90.8Very high84.5Confident105 Ų105110.5 Ų110.556%0.56155%0.547SS*.Hα-helixtrans-57.6-45.5173.5-92.65.1000111.5E431 Q437 T438 F439E431-D435 PolarHBondContact O-N 3.08Å; D435-Q437 PolarHBondContact O-N 3.47Å; D435-T438 PolarHBondContact O-N 3.08Å; D435-F439 WeakPolarHBondContact O-CB 3.32Å; D435-F439 PolarHBondContact O-N 3.37Å
436R93.6Very high83.8Confident163 Ų163111.6 Ų111.662%0.61555%0.545SS*.Hα-helixtrans-60.6-44.6176.2179.6178167.3-161.9-12.7112L432 M434 T438 F439 E440L432-R436 WeakPolarHBondContact O-CB 3.42Å; L432-R436 PolarHBondContact O-N 2.89Å; L432-R436 VanDerWaalsContact O-N 3.09Å; M434-R436 VanDerWaalsContact C-N 3.32Å; M434-R436 PolarHBondContact O-N 3.45Å; R436-T438 VanDerWaalsContact C-N 3.35Å; R436-F439 PolarHBondContact O-N 2.94Å; R436-E440 IonicContact CZ-OE1 2.8Å; R436-E440 IonicContact NE-OE1 3.83Å; R436-E440 PolarHBondContact NE-OE1 3.09Å; R436-E440 IonicContact NH2-OE1 3.43Å; R436-E440 PolarHBondContact NH2-OE1 2.99Å; R436-E440 WeakPolarHBondContact O-CB 3.24Å; R436-E440 WeakPolarHBondContact O-CG 3.28Å; R436-E440 PolarHBondContact O-N 2.83Å
437Q89Confident83.1Confident93 Ų93113.4 Ų113.444%0.43555%0.553SS.*Hα-helixtrans-62.7-43.4176.6-73.7-179.330.100111.3M433 M434 D435 F439 E440 M441M433-Q437 WeakPolarHBondContact O-CG 3.45Å; M433-Q437 PolarHBondContact O-N 3.03Å; M433-Q437 VanDerWaalsContact O-N 3.09Å; M434-Q437 PolarHBondContact O-N 3.44Å; D435-Q437 PolarHBondContact O-N 3.47Å; Q437-F439 PolarHBondContact O-N 3.22Å; Q437-E440 PolarHBondContact O-N 3.31Å; Q437-M441 HydrophobicContact CB-CE 4.43Å; Q437-M441 WeakPolarHBondContact O-CG 3.46Å; Q437-M441 PolarHBondContact O-N 3.23Å
438T87.6Confident82.8Confident85 Ų85115 Ų11552%0.52156%0.555SS.*Hα-helixtrans-61.2-43.9178.3-54.90000111.2M434 D435 R436 M441 A442M434-T438 WeakPolarHBondContact O-CB 3.42Å; M434-T438 PolarHBondContact O-N 2.93Å; M434-T438 PolarHBondContact O-OG1 3.43Å; D435-T438 PolarHBondContact O-N 3.08Å; R436-T438 VanDerWaalsContact C-N 3.35Å; T438-M441 PolarHBondContact O-N 2.87Å; T438-A442 WeakPolarHBondContact O-CB 3.42Å; T438-A442 PolarHBondContact O-N 3.2Å
439F86Confident82.2Confident143 Ų143117 Ų11763%0.62756%0.562SS**Hα-helixtrans-66.7-38.9174.7-168.6-92.4000112.7D435 R436 Q437 A442 R443D435-F439 WeakPolarHBondContact O-CB 3.32Å; D435-F439 PolarHBondContact O-N 3.37Å; R436-F439 PolarHBondContact O-N 2.94Å; Q437-F439 PolarHBondContact O-N 3.22Å; F439-A442 PolarHBondContact O-N 3Å; F439-R443 WeakPolarHBondContact O-CB 3.19Å; F439-R443 PolarHBondContact O-N 3.15Å
440E86.4Confident81.5Confident62 Ų62117.1 Ų117.129%0.2957%0.566SS.*Hα-helixtrans-67.2-34174.7-77.1-172.1-153.500112.7R436 Q437 R444R436-E440 IonicContact CZ-OE1 2.8Å; R436-E440 IonicContact NE-OE1 3.83Å; R436-E440 PolarHBondContact NE-OE1 3.09Å; R436-E440 IonicContact NH2-OE1 3.43Å; R436-E440 PolarHBondContact NH2-OE1 2.99Å; R436-E440 WeakPolarHBondContact O-CB 3.24Å; R436-E440 WeakPolarHBondContact O-CG 3.28Å; R436-E440 PolarHBondContact O-N 2.83Å; Q437-E440 PolarHBondContact O-N 3.31Å; E440-R444 WeakPolarHBondContact O-CG 3.41Å; E440-R444 PolarHBondContact O-N 3.28Å
441M81.7Confident81.1Confident109 Ų109116 Ų11654%0.53757%0.567SS.*Hα-helixtrans-68.6-49.7170.8-68.7-171.4-141.800111.5Q437 T438 R443 R444 L445Q437-M441 HydrophobicContact CB-CE 4.43Å; Q437-M441 WeakPolarHBondContact O-CG 3.46Å; Q437-M441 PolarHBondContact O-N 3.23Å; T438-M441 PolarHBondContact O-N 2.87Å; M441-R443 PolarHBondContact O-N 2.87Å; M441-R444 WeakPolarHBondContact O-CB 3.5Å; M441-R444 PolarHBondContact O-N 3.09Å; M441-L445 PolarHBondContact O-N 2.93Å
442A81.6Confident80.6Confident54 Ų54116.2 Ų116.245%0.44657%0.568SS.*Hα-helixtrans-56.7-37.9177.900000112.1T438 F439 L445 S446T438-A442 WeakPolarHBondContact O-CB 3.42Å; T438-A442 PolarHBondContact O-N 3.2Å; F439-A442 PolarHBondContact O-N 3Å; A442-L445 CarbonylContact O-C 3.59Å; A442-L445 PolarHBondContact O-N 3.18Å; A442-S446 WeakPolarHBondContact O-CB 3.32Å; A442-S446 PolarHBondContact O-N 3.02Å
443R82.7Confident79.8Confident147 Ų147120.5 Ų120.556%0.55558%0.576SS**Hα-helixtrans-74.7-19.3176.2-160.7-171.668.2177.5-1.7114.3F439 M441 S446 H447F439-R443 WeakPolarHBondContact O-CB 3.19Å; F439-R443 PolarHBondContact O-N 3.15Å; M441-R443 PolarHBondContact O-N 2.87Å; R443-S446 PolarHBondContact O-OG 3Å; R443-H447 PolarHBondContact O-ND1 3.48Å
444R75.6Confident79.3Confident195 Ų195120.1 Ų120.174%0.73658%0.58SS**Hα-helixtrans-75.1-45.1167.6-70.7172.3-168.9-154.94.2110E440 M441 S446 H447E440-R444 WeakPolarHBondContact O-CG 3.41Å; E440-R444 PolarHBondContact O-N 3.28Å; M441-R444 WeakPolarHBondContact O-CB 3.5Å; M441-R444 PolarHBondContact O-N 3.09Å; R444-S446 VanDerWaalsContact C-N 3.32Å; R444-S446 PolarHBondContact O-N 3.44Å; R444-H447 PolarHBondContact O-N 3.43Å
445L67.3Low78.9Confident115 Ų115119.1 Ų119.160%0.60258%0.582SS**Hα-helixtrans-68.8-24.7176.2-76.4149.3000113.3M441 A442 H447 D448M441-L445 PolarHBondContact O-N 2.93Å; A442-L445 CarbonylContact O-C 3.59Å; A442-L445 PolarHBondContact O-N 3.18Å; L445-H447 PolarHBondContact O-N 3.01Å; L445-D448 VanDerWaalsContact O-CB 3.27Å; L445-D448 WeakPolarHBondContact O-CB 3.41Å; L445-D448 PolarHBondContact O-N 2.9Å
446S66.8Low78.4Confident82 Ų82123.1 Ų123.157%0.57359%0.59SS**THydrogen-bonded Turntrans-69.71.4177.279.60000114.9A442 R443 R444A442-S446 WeakPolarHBondContact O-CB 3.32Å; A442-S446 PolarHBondContact O-N 3.02Å; R443-S446 PolarHBondContact O-OG 3Å; R444-S446 VanDerWaalsContact C-N 3.32Å; R444-S446 PolarHBondContact O-N 3.44Å
447H63.8Low77.9Confident147 Ų147120.8 Ų120.868%0.68159%0.594SS**THydrogen-bonded Turntrans-114.86.2172.2-62.482.5000111.7R443 R444 L445 T449R443-H447 PolarHBondContact O-ND1 3.48Å; R444-H447 PolarHBondContact O-N 3.43Å; L445-H447 PolarHBondContact O-N 3.01Å; H447-T449 PolarHBondContact O-N 2.96Å
448D72.1Confident77.4Confident83 Ų83123.1 Ų123.144%0.44460%0.604SS.*  trans-77.7107.9168.2-167-14.1000108.7L445 M450L445-D448 VanDerWaalsContact O-CB 3.27Å; L445-D448 WeakPolarHBondContact O-CB 3.41Å; L445-D448 PolarHBondContact O-N 2.9Å; D448-M450 HydrophobicContact CB-CE 4.28Å; D448-M450 PolarHBondContact O-N 3.04Å; D448-M450 PolarHBondContact OD1-N 3.25Å; D448-M450 WeakPolarHBondContact OD2-CE 3.22Å
449T71.9Confident77.2Confident91 Ų91123.5 Ų123.556%0.55861%0.608SS**  trans-77.31.4177.239.90000113.1H447 E451H447-T449 PolarHBondContact O-N 2.96Å; T449-E451 VanDerWaalsContact CB-OE1 3.23Å; T449-E451 WeakPolarHBondContact CB-OE1 3.43Å; T449-E451 PolarHBondContact O-N 3.17Å; T449-E451 WeakPolarHBondContact OG1-CG 3.48Å; T449-E451 PolarHBondContact OG1-OE1 3.1Å
450M73Confident77Confident152 Ų152128 Ų12875%0.74962%0.621SS**  trans56.128.3-174.3-64.4-73.4154.100112.7D448D448-M450 HydrophobicContact CB-CE 4.28Å; D448-M450 PolarHBondContact O-N 3.04Å; D448-M450 PolarHBondContact OD1-N 3.25Å; D448-M450 WeakPolarHBondContact OD2-CE 3.22Å
451E77.4Confident76.6Confident116 Ų116132 Ų13254%0.54264%0.644SS.*  trans-69.3132.3175.7-78.3166.6-137.500111.2T449 R453T449-E451 VanDerWaalsContact CB-OE1 3.23Å; T449-E451 WeakPolarHBondContact CB-OE1 3.43Å; T449-E451 PolarHBondContact O-N 3.17Å; T449-E451 WeakPolarHBondContact OG1-CG 3.48Å; T449-E451 PolarHBondContact OG1-OE1 3.1Å; E451-R453 PolarHBondContact O-N 2.95Å
452E75.5Confident76.2Confident135 Ų135134 Ų13463%0.63166%0.656SS**  trans-67.389.2179.3-172.1177.7-156.400111.4V454 W456E452-V454 WeakPolarHBondContact CG-O 3.5Å; E452-V454 PolarHBondContact O-N 3.3Å; E452-W456 WeakPolarHBondContact OE1-CB 3.15Å; E452-W456 PolarHBondContact OE1-N 3.04Å
453R75.1Confident75.8Confident214 Ų214138.4 Ų138.481%0.80868%0.677SS**SBendtrans-65-18.6-178.3-69.9-64.8-177.8156.4-5.3114.7E451E451-R453 PolarHBondContact O-N 2.95Å
454V78.8Confident75.2Confident117 Ų117138.2 Ų138.271%0.70969%0.687SS**SBendtrans-140111.9175.8179.80000106.8E452 W456E452-V454 WeakPolarHBondContact CG-O 3.5Å; E452-V454 PolarHBondContact O-N 3.3Å; V454-W456 PolarHBondContact O-N 3.45Å
455P80.9Confident74.9Confident93 Ų93133.7 Ų133.760%0.60469%0.691SS**  trans-61.1127.5-178.924.9-33.8000110.4T457P455-T457 PolarHBondContact O-N 3.37Å
456W79.4Confident75Confident190 Ų190131.2 Ų131.272%0.7269%0.693SS**  trans-62.3120.5-179.7-174.293.1000110.3E452 V454 Q458E452-W456 WeakPolarHBondContact OE1-CB 3.15Å; E452-W456 PolarHBondContact OE1-N 3.04Å; V454-W456 PolarHBondContact O-N 3.45Å; W456-Q458 HydrophobicContact CH2-CB 3.87Å; W456-Q458 HydrophobicContact CH2-CG 4.09Å; W456-Q458 HydrophobicContact CZ3-CB 3.87Å
457T82.4Confident74.8Confident114 Ų114132 Ų13270%0.69970%0.698SS**  trans-110.2131.617353.10000108.7P455 P459P455-T457 PolarHBondContact O-N 3.37Å; T457-P459 WeakPolarHBondContact O-CD 3.49Å
458Q80.4Confident75Confident141 Ų141133.3 Ų133.366%0.65971%0.71SS**PPolyproline II helixtrans-54.2124.4177.5-172.9-178.812.100109.7W456 R460W456-Q458 HydrophobicContact CH2-CB 3.87Å; W456-Q458 HydrophobicContact CH2-CG 4.09Å; W456-Q458 HydrophobicContact CZ3-CB 3.87Å; Q458-R460 PolarHBondContact O-N 3.45Å
459P82.6Confident74.8Confident93 Ų93133.9 Ų133.960%0.60472%0.716SS**PPolyproline II helixtrans-55.9133.5177.5-26.935.2000110.8T457 L461T457-P459 WeakPolarHBondContact O-CD 3.49Å; P459-L461 PolarHBondContact O-N 2.87Å; P459-L461 VanDerWaalsContact O-N 3.15Å
460R81.5Confident74.9Confident237 Ų237134.8 Ų134.889%0.89472%0.722SS**PPolyproline II helixtrans-57.4123.1176.8-69.6-173.6179.4-168-0.9109.2Q458 L462Q458-R460 PolarHBondContact O-N 3.45Å; R460-L462 PolarHBondContact O-N 3.44Å
461L77.9Confident74.5Confident148 Ų148133.1 Ų133.178%0.77572%0.722SS**PPolyproline II helixtrans-55.9124176.1-62.6179000109.4P459 T463P459-L461 PolarHBondContact O-N 2.87Å; P459-L461 VanDerWaalsContact O-N 3.15Å; L461-T463 PolarHBondContact O-N 2.67Å
462L74.3Confident74.2Confident150 Ų150130.4 Ų130.479%0.78573%0.725SS**  trans-76.4108177-65.9175.3000108.4R460 L464R460-L462 PolarHBondContact O-N 3.44Å; L462-L464 HydrophobicContact CB-CD2 4.44Å; L462-L464 PolarHBondContact O-N 3.39Å
463T71.8Confident73.8Confident146 Ų146126.4 Ų126.490%0.89672%0.715SS**  trans-68.482.4168.9-47.40000109.1L461L461-T463 PolarHBondContact O-N 2.67Å
464L71.2Confident73.6Confident144 Ų144124.3 Ų124.375%0.75472%0.72SS**PPolyproline II helixtrans-65.6133170.8-61.6176.6000108.5L462L462-L464 HydrophobicContact CB-CD2 4.44Å; L462-L464 PolarHBondContact O-N 3.39Å
465A69Low73.6Confident99 Ų99121.3 Ų121.382%0.81870%0.704SS**PPolyproline II helixtrans-57.1145.416500000109.2
466G68.3Low73.6Confident64 Ų64122 Ų12266%0.6671%0.707SS**SBendtrans-50145.6-165.400000114.6L468G466-L468 PolarHBondContact O-N 2.9Å; G466-L468 VanDerWaalsContact O-N 3.08Å
467S64.6Low73.6Confident97 Ų97119 Ų11968%0.67870%0.701SS**  trans-51.9115.6-171.7-169.10000112.2V469S467-V469 PolarHBondContact O-N 3.44Å; S467-V469 PolarHBondContact OG-O 3.15Å
468L66.5Low73.6Confident176 Ų176121.2 Ų121.292%0.92170%0.701SS**SBendtrans-66.1-7-179.6-63.1174.3000113.6G466G466-L468 PolarHBondContact O-N 2.9Å; G466-L468 VanDerWaalsContact O-N 3.08Å
469V68.7Low73.6Confident95 Ų95119.7 Ų119.758%0.57669%0.693SS**SBendtrans-139.5136176.1-175.50000108.5S467 A473S467-V469 PolarHBondContact O-N 3.44Å; S467-V469 PolarHBondContact OG-O 3.15Å; V469-A473 HydrophobicContact CG1-CB 4Å
470T72.8Confident73.6Confident110 Ų110117.6 Ų117.668%0.67568%0.679SS**  trans-65.5127.6173-43.80000109.9G472 A473T470-G472 PolarHBondContact O-N 3.15Å; T470-A473 VanDerWaalsContact O-CB 3.24Å; T470-A473 WeakPolarHBondContact O-CB 3.44Å; T470-A473 PolarHBondContact O-N 3.34Å
471P66.4Low73.6Confident117 Ų117111.1 Ų111.176%0.7666%0.659SS**THydrogen-bonded Turntrans-53.6127.9178-28.336.1000112.3
472G70.9Confident73.8Confident59 Ų59108.7 Ų108.761%0.60864%0.64SS**THydrogen-bonded Turntrans84.3-2.6-177.300000116T470 N474 S475T470-G472 PolarHBondContact O-N 3.15Å; G472-N474 PolarHBondContact O-N 3.32Å; G472-S475 PolarHBondContact O-N 3.04Å
473A66.3Low74.3Confident51 Ų51106.8 Ų106.842%0.42163%0.626SS.*THydrogen-bonded Turntrans-55.9124.7172.700000110.8V469 T470 S475V469-A473 HydrophobicContact CG1-CB 4Å; T470-A473 VanDerWaalsContact O-CB 3.24Å; T470-A473 WeakPolarHBondContact O-CB 3.44Å; T470-A473 PolarHBondContact O-N 3.34Å; A473-S475 PolarHBondContact O-N 3.34Å
474N70.5Confident74.9Confident169 Ų169107.1 Ų107.190%0.90461%0.611SS**THydrogen-bonded Turntrans61.511.7-175.3-49.7-36.9000116.1G472 T476G472-N474 PolarHBondContact O-N 3.32Å; N474-T476 PolarHBondContact O-N 3.13Å
475S78.6Confident75.4Confident54 Ų54104.1 Ų104.138%0.37859%0.594SS.*  trans-83.8114.2177.3-175.80000112.1G472 A473 E477G472-S475 PolarHBondContact O-N 3.04Å; A473-S475 PolarHBondContact O-N 3.34Å; S475-E477 VanDerWaalsContact OG-CB 3.23Å; S475-E477 WeakPolarHBondContact OG-CB 3.47Å; S475-E477 PolarHBondContact OG-N 2.75Å
476T82Confident75.9Confident108 Ų108106.5 Ų106.566%0.66359%0.59SS**  trans-75.7-10.4167.353.70000112.7N474 K478 H479 T480N474-T476 PolarHBondContact O-N 3.13Å; T476-K478 VanDerWaalsContact C-N 3.26Å; T476-K478 PolarHBondContact O-N 3.07Å; T476-H479 WeakPolarHBondContact O-CA 3.44Å; T476-H479 VanDerWaalsContact O-CB 3.31Å; T476-H479 WeakPolarHBondContact O-CB 3.26Å; T476-H479 PolarHBondContact O-N 2.8Å; T476-T480 PolarHBondContact O-N 3.21Å; T476-T480 PolarHBondContact O-OG1 3.2Å
477E80.3Confident76.3Confident126 Ų126106.9 Ų106.959%0.58959%0.593SS**Hα-helixtrans-61.1-34.1-175.1-166163.3-148.100112.1S475 H479 T480 Q481S475-E477 VanDerWaalsContact OG-CB 3.23Å; S475-E477 WeakPolarHBondContact OG-CB 3.47Å; S475-E477 PolarHBondContact OG-N 2.75Å; E477-H479 PolarHBondContact O-N 3.29Å; E477-T480 PolarHBondContact O-N 3.01Å; E477-Q481 WeakPolarHBondContact O-CB 3.38Å; E477-Q481 PolarHBondContact O-N 2.6Å
478K80.4Confident77Confident162 Ų162107.7 Ų107.770%0.70459%0.589SS**Hα-helixtrans-64.2-22.4171.7-174.3172.1-177.5176.30113.6T476T476-K478 VanDerWaalsContact C-N 3.26Å; T476-K478 PolarHBondContact O-N 3.07Å
479H81.6Confident77.4Confident108 Ų108107.4 Ų107.450%0.559%0.587SS.*Hα-helixtrans-84.8-49.6172.4-151.1112.3000110.3T476 E477 Q481 R482 E483T476-H479 WeakPolarHBondContact O-CA 3.44Å; T476-H479 VanDerWaalsContact O-CB 3.31Å; T476-H479 WeakPolarHBondContact O-CB 3.26Å; T476-H479 PolarHBondContact O-N 2.8Å; E477-H479 PolarHBondContact O-N 3.29Å; H479-Q481 VanDerWaalsContact C-N 3.31Å; H479-Q481 PolarHBondContact O-N 3.11Å; H479-R482 PolarHBondContact ND1-NH1 2.85Å; H479-R482 WeakPolarHBondContact O-CB 3.42Å; H479-R482 PolarHBondContact O-N 3.3Å; H479-R482 VanDerWaalsContact O-N 3.09Å; H479-E483 IonicContact CD2-OE1 3.93Å; H479-E483 IonicContact NE2-OE1 2.67Å; H479-E483 WeakPolarHBondContact O-CG 3.2Å; H479-E483 PolarHBondContact O-N 3.09Å
480T83.4Confident77.4Confident49 Ų49109.8 Ų109.830%0.30159%0.592SS.*Hα-helixtrans-64.8-31179.8-54.30000113.9T476 E477 E483 R484T476-T480 PolarHBondContact O-N 3.21Å; T476-T480 PolarHBondContact O-OG1 3.2Å; E477-T480 PolarHBondContact O-N 3.01Å; T480-E483 VanDerWaalsContact CA-OE2 3.3Å; T480-E483 WeakPolarHBondContact CA-OE2 3.43Å; T480-R484 WeakPolarHBondContact O-CG 3.44Å; T480-R484 PolarHBondContact O-N 3.17Å
481Q80.1Confident77.3Confident101 Ų101112 Ų11247%0.47260%0.595SS.*Hα-helixtrans-68.8-44.8171.2177165.3-7.600110.8E477 H479 E483 R484 E485E477-Q481 WeakPolarHBondContact O-CB 3.38Å; E477-Q481 PolarHBondContact O-N 2.6Å; H479-Q481 VanDerWaalsContact C-N 3.31Å; H479-Q481 PolarHBondContact O-N 3.11Å; Q481-E483 VanDerWaalsContact C-N 3.31Å; Q481-E483 PolarHBondContact O-N 3.05Å; Q481-R484 PolarHBondContact O-N 3.08Å; Q481-R484 VanDerWaalsContact O-N 3.13Å; Q481-E485 HydrophobicContact CG-CG 4.29Å; Q481-E485 WeakPolarHBondContact CG-OE1 3.44Å; Q481-E485 PolarHBondContact NE2-OE1 2.68Å; Q481-E485 WeakPolarHBondContact O-CB 3.12Å; Q481-E485 VanDerWaalsContact O-CG 3.32Å; Q481-E485 WeakPolarHBondContact O-CG 3.41Å; Q481-E485 PolarHBondContact O-N 2.9Å
482R81.7Confident77.7Confident98 Ų98113 Ų11337%0.3759%0.592SS.*Hα-helixtrans-59.4-40.6173.8-168.6-165.2-58.4107.2-0.5112.1H479 R484 E485 M486H479-R482 PolarHBondContact ND1-NH1 2.85Å; H479-R482 WeakPolarHBondContact O-CB 3.42Å; H479-R482 PolarHBondContact O-N 3.3Å; H479-R482 VanDerWaalsContact O-N 3.09Å; R482-R484 VanDerWaalsContact C-N 3.32Å; R482-R484 PolarHBondContact O-N 2.97Å; R482-E485 CarbonylContact O-C 3.36Å; R482-E485 PolarHBondContact O-N 2.99Å; R482-M486 HydrophobicContact CG-CE 4.13Å; R482-M486 HydrophobicContact CG-SD 4.36Å; R482-M486 WeakPolarHBondContact O-CB 3.34Å; R482-M486 VanDerWaalsContact O-CG 3.29Å; R482-M486 WeakPolarHBondContact O-CG 3.18Å; R482-M486 PolarHBondContact O-N 2.62Å
483E85.7Confident78Confident109 Ų109114.2 Ų114.251%0.50958%0.581SS.*Hα-helixtrans-61.1-38.9176-71.8169.3150.500112H479 T480 Q481H479-E483 IonicContact CD2-OE1 3.93Å; H479-E483 IonicContact NE2-OE1 2.67Å; H479-E483 WeakPolarHBondContact O-CG 3.2Å; H479-E483 PolarHBondContact O-N 3.09Å; T480-E483 VanDerWaalsContact CA-OE2 3.3Å; T480-E483 WeakPolarHBondContact CA-OE2 3.43Å; Q481-E483 VanDerWaalsContact C-N 3.31Å; Q481-E483 PolarHBondContact O-N 3.05Å
484R84.5Confident78.6Confident153 Ų153119.6 Ų119.658%0.57760%0.602SS**Hα-helixtrans-69.1-44.8172.5-66.3178.6-142.4161.37.4111.9T480 Q481 R482 M486 G487 I488T480-R484 WeakPolarHBondContact O-CG 3.44Å; T480-R484 PolarHBondContact O-N 3.17Å; Q481-R484 PolarHBondContact O-N 3.08Å; Q481-R484 VanDerWaalsContact O-N 3.13Å; R482-R484 VanDerWaalsContact C-N 3.32Å; R482-R484 PolarHBondContact O-N 2.97Å; R484-M486 PolarHBondContact O-N 2.98Å; R484-G487 WeakPolarHBondContact O-CA 3.38Å; R484-G487 PolarHBondContact O-N 3.08Å; R484-I488 WeakPolarHBondContact O-CG1 3.24Å; R484-I488 PolarHBondContact O-N 2.9Å
485E80.9Confident78.9Confident82 Ų82114.3 Ų114.338%0.38358%0.578SS.*Hα-helixtrans-65.4-20.8178.7-70.6165.6175.100113Q481 R482Q481-E485 HydrophobicContact CG-CG 4.29Å; Q481-E485 WeakPolarHBondContact CG-OE1 3.44Å; Q481-E485 PolarHBondContact NE2-OE1 2.68Å; Q481-E485 WeakPolarHBondContact O-CB 3.12Å; Q481-E485 VanDerWaalsContact O-CG 3.32Å; Q481-E485 WeakPolarHBondContact O-CG 3.41Å; Q481-E485 PolarHBondContact O-N 2.9Å; R482-E485 CarbonylContact O-C 3.36Å; R482-E485 PolarHBondContact O-N 2.99Å
486M79.1Confident78.8Confident149 Ų149121.2 Ų121.273%0.73460%0.601SS**THydrogen-bonded Turntrans-77.6-21.5169.2-77.5172.8164.800113.4R482 R484R482-M486 HydrophobicContact CG-CE 4.13Å; R482-M486 HydrophobicContact CG-SD 4.36Å; R482-M486 WeakPolarHBondContact O-CB 3.34Å; R482-M486 VanDerWaalsContact O-CG 3.29Å; R482-M486 WeakPolarHBondContact O-CG 3.18Å; R482-M486 PolarHBondContact O-N 2.62Å; R484-M486 PolarHBondContact O-N 2.98Å
487G77.8Confident78.5Confident71 Ų71125.1 Ų125.173%0.73261%0.612SS**SBendtrans-97-0.1177.200000114.5R484R484-G487 WeakPolarHBondContact O-CA 3.38Å; R484-G487 PolarHBondContact O-N 3.08Å
488I79.6Confident78.2Confident114 Ų114121.6 Ų121.659%0.58560%0.601SS**SBendtrans-118.9132.5-178.5-63.6168.2000107.6R484 Q490R484-I488 WeakPolarHBondContact O-CG1 3.24Å; R484-I488 PolarHBondContact O-N 2.9Å; I488-Q490 PolarHBondContact O-N 3.05Å
489L73.4Confident78.2Confident171 Ų171117.3 Ų117.390%0.89559%0.589SS**  trans-63.8121169.5-101.477.2000108.9
490Q69.2Low77.8Confident144 Ų144116 Ų11667%0.67359%0.59SS**  trans-70.1134.6172.3-64.6-176.3-4.900109.7I488 I492I488-Q490 PolarHBondContact O-N 3.05Å; Q490-I492 PolarHBondContact O-N 3.27Å; Q490-I492 VanDerWaalsContact O-N 3.11Å
491E70.6Confident77.2Confident156 Ų156122.3 Ų122.373%0.72962%0.622SS**  trans-69.5105.3168.4-67-174.5150.800108.8F493E491-F493 HydrophobicContact CB-CE2 3.87Å; E491-F493 HydrophobicContact CB-CZ 3.8Å; E491-F493 WeakPolarHBondContact O-CD2 3.46Å; E491-F493 PolarHBondContact O-N 3.22Å
492I75.2Confident76.5Confident138 Ų138121.1 Ų121.171%0.70862%0.624SS**  trans-84.4101.8-178.8-53.1-178.9000108.7Q490 L494Q490-I492 PolarHBondContact O-N 3.27Å; Q490-I492 VanDerWaalsContact O-N 3.11Å; I492-L494 HydrophobicContact CG2-CD1 4.23Å; I492-L494 VanDerWaalsContact O-CD1 3.3Å; I492-L494 WeakPolarHBondContact O-CD1 3.37Å; I492-L494 PolarHBondContact O-N 3.3Å
493F78.3Confident75.9Confident86 Ų86122.3 Ų122.338%0.37765%0.645SS.*  trans-80106.1170.6-59.3-68.9000109.9E491 S495 S498 V499 P500E491-F493 HydrophobicContact CB-CE2 3.87Å; E491-F493 HydrophobicContact CB-CZ 3.8Å; E491-F493 WeakPolarHBondContact O-CD2 3.46Å; E491-F493 PolarHBondContact O-N 3.22Å; F493-S495 PolarHBondContact O-N 3.46Å; F493-S498 WeakPolarHBondContact CD1-O 3.35Å; F493-V499 HydrophobicContact CB-CG2 3.74Å; F493-V499 HydrophobicContact CD1-CG2 4.47Å; F493-V499 HydrophobicContact CD2-CG2 4.03Å; F493-V499 HydrophobicContact CG-CB 4.47Å; F493-V499 HydrophobicContact CG-CG2 3.81Å; F493-P500 HydrophobicContact CE1-CG 4.38Å
494L78.4Confident74.7Confident163 Ų163125 Ų12585%0.85366%0.657SS**SBendtrans-66.9-20.2-175.2-8371.5000113.3I492 S498I492-L494 HydrophobicContact CG2-CD1 4.23Å; I492-L494 VanDerWaalsContact O-CD1 3.3Å; I492-L494 WeakPolarHBondContact O-CD1 3.37Å; I492-L494 PolarHBondContact O-N 3.3Å; L494-S498 PolarHBondContact N-OG 3.38Å
495S76.6Confident73.8Confident59 Ų59125.9 Ų125.941%0.41367%0.668SS.*SBendtrans-139155.9173.675.90000111.1F493 E497 S498F493-S495 PolarHBondContact O-N 3.46Å; S495-E497 PolarHBondContact O-N 2.86Å; S495-S498 PolarHBondContact N-OG 3Å; S495-S498 PolarHBondContact O-N 3.01Å; S495-S498 PolarHBondContact O-OG 2.82Å; S495-S498 PolarHBondContact OG-N 2.99Å
496K75.5Confident73.2Confident198 Ų198127.9 Ų127.986%0.86169%0.688SS**G310 helixtrans-60.7-27.7177.5-169.7-178176-169.20112.7S498K496-S498 VanDerWaalsContact C-N 3.34Å
497E75.3Confident72.7Confident191 Ų191127.5 Ų127.589%0.89369%0.689SS**G310 helixtrans-80.7-12.5177.6-65.9166.2-16500113.2S495S495-E497 PolarHBondContact O-N 2.86Å
498S75.5Confident71.9Confident51 Ų51129.7 Ų129.736%0.35769%0.69SS.*G310 helixtrans-86.8-5175.166.50000114F493 L494 S495 K496 P500F493-S498 WeakPolarHBondContact CD1-O 3.35Å; L494-S498 PolarHBondContact N-OG 3.38Å; S495-S498 PolarHBondContact N-OG 3Å; S495-S498 PolarHBondContact O-N 3.01Å; S495-S498 PolarHBondContact O-OG 2.82Å; S495-S498 PolarHBondContact OG-N 2.99Å; K496-S498 VanDerWaalsContact C-N 3.34Å; S498-P500 WeakPolarHBondContact O-CD 3.46Å
499V80.6Confident71.7Confident73 Ų73132.8 Ų132.844%0.44270%0.702SS.*SBendtrans-76.9123.5173.7-176.40000109F493F493-V499 HydrophobicContact CB-CG2 3.74Å; F493-V499 HydrophobicContact CD1-CG2 4.47Å; F493-V499 HydrophobicContact CD2-CG2 4.03Å; F493-V499 HydrophobicContact CG-CB 4.47Å; F493-V499 HydrophobicContact CG-CG2 3.81Å
500P73Confident71.4Confident80 Ų80130.5 Ų130.552%0.51970%0.697SS.*  trans-64.2138.5176.9-23.434.7000112.9F493 S498 S502F493-P500 HydrophobicContact CE1-CG 4.38Å; S498-P500 WeakPolarHBondContact O-CD 3.46Å; P500-S502 WeakPolarHBondContact CB-O 3.4Å; P500-S502 PolarHBondContact O-N 3.36Å; P500-S502 VanDerWaalsContact O-N 3.08Å
501D69.6Low71.2Confident182 Ų182132.5 Ų132.597%0.97370%0.7SS**SBendtrans-62.2-14.8178.1-76.9-41.5000114.3
502S66.9Low71.5Confident75 Ų75133.3 Ų133.352%0.52470%0.704SS.*SBendtrans-147.7145.7171.6179.60000109.3P500 H504P500-S502 WeakPolarHBondContact CB-O 3.4Å; P500-S502 PolarHBondContact O-N 3.36Å; P500-S502 VanDerWaalsContact O-N 3.08Å; S502-H504 PolarHBondContact O-N 3.26Å
503P68.2Low70.9Confident124 Ų124131.9 Ų131.981%0.80570%0.704SS**PPolyproline II helixtrans-51.3131.4158.4-21.633.2000109.3
504H60.9Low70.4Confident165 Ų165134.6 Ų134.676%0.76472%0.719SS**PPolyproline II helixtrans-90.9143.5170.3-132.572.6000108.7S502S502-H504 PolarHBondContact O-N 3.26Å
505E66.4Low70.3Confident171 Ų171131.8 Ų131.880%0.79971%0.711SS**PPolyproline II helixtrans-70.1142.6160.7-65.9-173.1162.600107.9D507E505-D507 PolarHBondContact O-N 3.41Å
506P66.4Low69.7Low124 Ų124134.6 Ų134.681%0.80573%0.727SS**PPolyproline II helixtrans-61.7133.3177.526.2-33.8000109.7
507D68.8Low68.9Low141 Ų141130.3 Ų130.375%0.75472%0.722SS**PPolyproline II helixtrans-53.3133.3-179.6-89.1-46.7000110.7E505 E509E505-D507 PolarHBondContact O-N 3.41Å; D507-E509 PolarHBondContact O-N 2.66Å
508P62Low68.1Low117 Ų117129 Ų12976%0.7672%0.72SS**  trans-66.8107.7-178.726.6-33.5000110.1
509E75.5Confident67.1Low179 Ų179133.1 Ų133.184%0.83674%0.736SS**  trans-52.6129.5179.8-171.5171.1-150.200110.9D507 Y511D507-E509 PolarHBondContact O-N 2.66Å; E509-Y511 VanDerWaalsContact C-N 3.29Å; E509-Y511 PolarHBondContact O-N 3Å
510P67.3Low66.4Low123 Ų123134.9 Ų134.980%0.79975%0.749SS**  trans-66.179.9-178-25.436.6000114E512P510-E512 PolarHBondContact O-N 2.66Å
511Y65.4Low65.6Low186 Ų186138.7 Ų138.773%0.72976%0.764SS**  trans-68.1101.1171.8-178.5-102.3000110.4E509 P513E509-Y511 VanDerWaalsContact C-N 3.29Å; E509-Y511 PolarHBondContact O-N 3Å; Y511-P513 HydrophobicContact CE1-CB 4.38Å; Y511-P513 WeakPolarHBondContact O-CD 3.06Å
512E75Confident64.9Low174 Ų174137.5 Ų137.581%0.81376%0.758SS**  trans-66.3120.3166-69-159.5150.400109.3P510 M514P510-E512 PolarHBondContact O-N 2.66Å; E512-M514 PolarHBondContact O-N 2.88Å
513P63.8Low64Low108 Ų108143.1 Ų143.170%0.70178%0.776SS**  trans-72.1104.6-17728.5-33.7000110.3Y511Y511-P513 HydrophobicContact CE1-CB 4.38Å; Y511-P513 WeakPolarHBondContact O-CD 3.06Å
514M68.6Low62.7Low142 Ų142145.4 Ų145.470%0.778%0.781SS**PPolyproline II helixtrans-52.9131.7174-117.9-175.871.100110.4E512E512-M514 PolarHBondContact O-N 2.88Å
515P75.3Confident61.7Low105 Ų105143.2 Ų143.268%0.68279%0.785SS**PPolyproline II helixtrans-63.2140.9177.626.4-34000110.2C517P515-C517 PolarHBondContact O-N 3.2Å
516P63Low60.2Low117 Ų117140.3 Ų140.376%0.7678%0.783SS**PPolyproline II helixtrans-65.8128.1-177.926.8-34.1000110.6L518P516-L518 PolarHBondContact O-N 3.34Å
517C59.2Low59.1Low109 Ų109143.6 Ų143.674%0.73679%0.79SS**PPolyproline II helixtrans-58.9121174.4-59.50000110P515 I519P515-C517 PolarHBondContact O-N 3.2Å; C517-I519 PolarHBondContact O-N 3.22Å
518L59.6Low57.7Low163 Ų163145 Ų14585%0.85380%0.796SS**  trans-70113.9172.6-65.4176.1000108.7P516 P520P516-L518 PolarHBondContact O-N 3.34Å; L518-P520 WeakPolarHBondContact O-CD 3.34Å
519I53.9Low56.5Low138 Ų138146 Ų14671%0.70880%0.795SS**  trans-72.2121.4170.1-57.9173.2000107C517 L521C517-I519 PolarHBondContact O-N 3.22Å; I519-L521 PolarHBondContact O-N 3.32Å
520P66.9Low54.8Low110 Ų110145.7 Ų145.771%0.71479%0.793SS**  trans-60.2135.8172.8-22.434.6000110.5L518L518-P520 WeakPolarHBondContact O-CD 3.34Å
521L55.6Low53.2Low160 Ų160146.6 Ų146.684%0.83879%0.791SS**  trans-108.530.3-175.2-71.3176000112.8I519 E523I519-L521 PolarHBondContact O-N 3.32Å; L521-E523 PolarHBondContact O-N 2.9Å
522D54.1Low51.7Low156 Ų156148 Ų14883%0.83480%0.797SS**  trans-94.290.9174.3-61-55.9000109.3D524D522-D524 PolarHBondContact O-N 3.4Å
523E48.8Very low49.6Very low193 Ų193143 Ų14390%0.90279%0.793SS**  trans-76.1102.6167.9-73.2-167.4131.600110.1L521L521-E523 PolarHBondContact O-N 2.9Å
524D41Very low48.4Very low172 Ų172146 Ų14692%0.9280%0.797SS**  trans-148.9154.8153.8-119.6-33.8000110.9D522D522-D524 PolarHBondContact O-N 3.4Å
525S38.9Very low46.9Very low119 Ų119145 Ų14583%0.83280%0.802SS**  trans-133.7123.2-156.3-173.20000114.9
526S35.6Very low45.1Very low110 Ų110143.7 Ų143.777%0.76980%0.799SS**  trans-155.5150.4162.857.20000112.3
527M43.5Very low43.5Very low194 Ų194146.2 Ų146.296%0.95681%0.806SS**  trans-82.3138.2156.5-79.4176.9141.500108.9
528I38.4Very low42.2Very low169 Ų169145.3 Ų145.387%0.86781%0.807SS**  trans-145.8150.2145.9-173.1160.4000107.9
529D37.3Very low40.7Very low140 Ų140142 Ų14275%0.74980%0.803SS**  trans-105.5170.7-175.7-161.815.1000110.8
530E39.3Very low39.6Very low171 Ų171140.3 Ų140.380%0.79980%0.803SS**  trans67.5131.1160.3-97.3-177.1159.200122.4
531D34.4Very low37.9Very low142 Ų142143.7 Ų143.776%0.75981%0.81SS**  trans94.4147.2133.4-146.340.8000123.8
532Y33.5Very low36.6Very low216 Ų216145.8 Ų145.885%0.84782%0.815SS**  trans-1.5140.7177.6-102.5-114000122.5
533G30.7Very low35.4Very low70 Ų70143 Ų14372%0.72281%0.814SS**  trans174.862.316500000116.3P535G533-P535 WeakPolarHBondContact O-CD 3.46Å
534E39.4Very low34.5Very low170 Ų170143.5 Ų143.579%0.79482%0.816SS**  trans-79.2135160.8-171.5-171-173.900109.9
535P36.3Very low34.2Very low122 Ų122139 Ų13979%0.79281%0.81SS**  trans-12597.1150.734.9-22.6000110.7G533G533-P535 WeakPolarHBondContact O-CD 3.46Å
536A38.4Very low33.7Very low77 Ų77141.8 Ų141.864%0.63681%0.81SS**  trans-75.5135.3156.100000109
537D29.5Very low33.5Very low169 Ų169141.1 Ų141.190%0.90481%0.805SS**  trans-148.3154.2146.9-143.7-24.7000110.3
538A30.9Very low33.2Very low90 Ų90137.5 Ų137.574%0.74480%0.799SS**  trans-138.9144.1-148.600000115.9
539A27.9Very low33.4Very low93 Ų93137.6 Ų137.677%0.76979%0.793SS**  trans-170144.5152.200000110.5
540S30.7Very low33.6Very low103 Ų103136.4 Ų136.472%0.7279%0.786SS**  cis-161.6138.7-17.9-105.20000110.5
541Q31.5Very low34.2Very low182 Ų182132 Ų13285%0.8577%0.772SS**  trans31.6115.2148.6-55177.88.700119.9
542Q28.5Very low35.3Very low204 Ų204130.1 Ų130.195%0.95377%0.768SS**  -161.2157.4102.4-106.9178.79.300111.1
543A28.8Very low36.2Very low97 Ų97124.9 Ų124.980%0.80276%0.758SS**  trans-121.3129.9-172.400000112.2
544Q29.5Very low37.1Very low203 Ų203125.7 Ų125.795%0.94975%0.745SS**  trans-155.1137.4142.4-107.6166.920.700107.3
545G34.5Very low37.9Very low77 Ų77120 Ų12079%0.79473%0.728SS**  trans-109.4153.6-169.600000113.2
546E28.8Very low38.6Very low179 Ų179119.5 Ų119.584%0.83672%0.718SS**  trans-129.6145.4159.9-92.9-161.4156.900110.3
547S32.3Very low39.2Very low95 Ų95121.4 Ų121.466%0.66472%0.717SS**  trans-87.2140.5-175.748.60000112.3K549S547-K549 PolarHBondContact O-N 3.42Å
548S37.2Very low40.2Very low118 Ų118120 Ų12083%0.82571%0.707SS**  trans-66.3101.7170.738.30000110.3L550S548-L550 PolarHBondContact O-N 3.47Å; S548-L550 VanDerWaalsContact O-N 3.08Å
549K41.8Very low41.2Very low171 Ų171120.5 Ų120.574%0.74370%0.7SS**  trans-70.5101.5-176.6-69.5162.5-171.9158.30110.7S547S547-K549 PolarHBondContact O-N 3.42Å
550L41.5Very low41.9Very low116 Ų116122.1 Ų122.161%0.60770%0.696SS**  trans-65.5149.9167.4-71172.4000110.9S548 L554S548-L550 PolarHBondContact O-N 3.47Å; S548-L550 VanDerWaalsContact O-N 3.08Å; L550-L554 HydrophobicContact CD2-CD1 4.43Å
551P53.2Low42.7Very low78 Ų78124.7 Ų124.751%0.50670%0.701SS.*  trans-55.5140.9173.2-26.435000112.4V553 L554P551-V553 PolarHBondContact O-N 3.37Å; P551-L554 PolarHBondContact O-N 3.34Å
552P56.4Low43.2Very low103 Ų103121 Ų12167%0.66970%0.696SS**Hα-helixtrans-62.3-20-169.222.8-34.1000114.7L554P552-L554 VanDerWaalsContact C-N 3.29Å; P552-L554 PolarHBondContact O-N 3.08Å
553V52.7Low43.7Very low106 Ų106115.6 Ų115.664%0.64268%0.68SS**Hα-helixtrans-62.1-35.4173.7-1780000111.9P551P551-V553 PolarHBondContact O-N 3.37Å
554L49.4Very low44Very low86 Ų86116.5 Ų116.545%0.4568%0.681SS.*Hα-helixtrans-80.1-34-177.3-61.3-179.8000112.6L550 P551 P552 N556 L557L550-L554 HydrophobicContact CD2-CD1 4.43Å; P551-L554 PolarHBondContact O-N 3.34Å; P552-L554 VanDerWaalsContact C-N 3.29Å; P552-L554 PolarHBondContact O-N 3.08Å; L554-N556 PolarHBondContact O-N 3.24Å; L554-L557 PolarHBondContact O-N 3.07Å
555A55.7Low44.1Very low51 Ų51112.4 Ų112.442%0.42167%0.674SS.*Hα-helixtrans-60.7-44.3178.300000112L557 M558 V559A555-L557 VanDerWaalsContact C-N 3.25Å; A555-L557 PolarHBondContact O-N 3Å; A555-M558 PolarHBondContact O-N 2.93Å; A555-V559 PolarHBondContact O-N 3.33Å
556N50.8Low44Very low111 Ų111120.9 Ų120.959%0.59468%0.682SS**Hα-helixtrans-67.4-23.1-178.9-69.1-12.5000113.6L554L554-N556 PolarHBondContact O-N 3.24Å
557L51.3Low44Very low117 Ų117117.4 Ų117.461%0.61368%0.678SS**Hα-helixtrans-77-36.9177.9-75.3165.7000112.5L554 A555L554-L557 PolarHBondContact O-N 3.07Å; A555-L557 VanDerWaalsContact C-N 3.25Å; A555-L557 PolarHBondContact O-N 3Å
558M50.3Low44.9Very low141 Ų141118 Ų11870%0.69568%0.679SS**Hα-helixtrans-72-39.1178.4-72.8-172.9165.500112.5A555 N560 L561 S562A555-M558 PolarHBondContact O-N 2.93Å; M558-N560 VanDerWaalsContact C-N 3.31Å; M558-N560 PolarHBondContact O-N 3.39Å; M558-L561 PolarHBondContact O-N 3.49Å; M558-S562 PolarHBondContact O-OG 3.35Å
559V51.7Low44.5Very low99 Ų99121.1 Ų121.160%0.668%0.681SS**Hα-helixtrans-59.9-39.8179.9172.90000112.3A555 L561A555-V559 PolarHBondContact O-N 3.33Å; V559-L561 VanDerWaalsContact C-N 3.27Å; V559-L561 PolarHBondContact O-N 3.46Å
560N43.6Very low43.8Very low128 Ų128117.1 Ų117.168%0.68468%0.679SS**THydrogen-bonded Turntrans-72.5-14.3-177.7-75.7-12000114.5M558M558-N560 VanDerWaalsContact C-N 3.31Å; M558-N560 PolarHBondContact O-N 3.39Å
561L46.1Very low43.2Very low156 Ų156116.8 Ų116.882%0.81769%0.687SS**THydrogen-bonded Turntrans-88.4-20.3-178.8-167.461.8000112.8M558 V559M558-L561 PolarHBondContact O-N 3.49Å; V559-L561 VanDerWaalsContact C-N 3.27Å; V559-L561 PolarHBondContact O-N 3.46Å
562S43.7Very low42Very low106 Ų106118.4 Ų118.474%0.74170%0.7SS**SBendtrans-88.1-3.1-170.6-52.90000115.5M558M558-S562 PolarHBondContact O-OG 3.35Å
563S39Very low40.7Very low90 Ų90117.7 Ų117.763%0.62970%0.703SS**SBendtrans-112.29.3-160.160.30000116.8
564S33.7Very low39.8Very low116 Ų116119 Ų11981%0.81171%0.711SS**  trans-138.374.4-173.9-71.10000114.3
565S31.6Very low39Very low116 Ų116119.6 Ų119.681%0.81172%0.722SS**  trans-139.270.5171.664.60000112.6
566R32.8Very low37.9Very low255 Ų255124.9 Ų124.996%0.96274%0.744SS**  trans-153.8149.3168.1-120.9-179.6-176.4-152.4-0.2112.6
567S29.5Very low37.2Very low107 Ų107125.6 Ų125.675%0.74875%0.754SS**  trans-142.3175.2-179.263.80000108.8
568P51Low36.4Very low106 Ų106124.7 Ų124.769%0.68876%0.764SS**  cis-133.3-174.9-3.140.4-23000115.5
569Q28.6Very low35.8Very low185 Ų185121.9 Ų121.986%0.86476%0.763SS**  trans95.1132.3138-163167.5-1.800122.8
570A27.8Very low35.1Very low86 Ų86123 Ų12371%0.71177%0.772SS**  trans96.1139.8152.300000124
571S28.6Very low35Very low109 Ų109123.7 Ų123.776%0.76278%0.781SS**  trans7292.6156.144.10000123.3
572S27.4Very low34.9Very low113 Ų113121.3 Ų121.379%0.7977%0.772SS**  49.5117.8123.262.20000123.3
573A30Very low35.3Very low88 Ų88120.4 Ų120.473%0.72776%0.76SS**  143.4122.9113.900000115
574T32.8Very low35.8Very low133 Ų133121 Ų12182%0.81676%0.759SS**  trans36.1139.6147.754.20000122.6
575S32.9Very low36.4Very low98 Ų98122.1 Ų122.169%0.68575%0.751SS**  cis-179.1120.9-12.246.60000110.8
576N32.6Very low37.3Very low163 Ų163122.9 Ų122.987%0.87274%0.742SS**  trans178.2158.6143.1-98.2-24.8000111.3
577P36.7Very low38.2Very low125 Ų125114.4 Ų114.481%0.81272%0.716SS**  trans-86.8129.5-165.732.4-34.4000114.2
578A34.1Very low39.2Very low98 Ų98113.8 Ų113.881%0.8170%0.703SS**  trans-114167.4163.600000110.3
579A36.7Very low39.2Very low82 Ų82112.2 Ų112.268%0.67870%0.695SS**PPolyproline II helixtrans-61.3152.9-176.100000113.4V581A579-V581 PolarHBondContact O-N 2.88Å
580P38.5Very low40Very low123 Ų123108.2 Ų108.280%0.79969%0.687SS**PPolyproline II helixtrans-64.3118.2179.926.1-34.6000111.7
581V41Very low41.2Very low142 Ų142109.1 Ų109.186%0.86168%0.679SS**PPolyproline II helixtrans-79119.9173.9-178.60000108.9A579A579-V581 PolarHBondContact O-N 2.88Å
582V42.9Very low42.1Very low106 Ų106110.9 Ų110.964%0.64268%0.677SS**PPolyproline II helixtrans-80.3121.7179.7-174.20000110V584 L587V582-V584 PolarHBondContact O-N 3.32Å; V582-L587 HydrophobicContact CG1-CD1 4.42Å
583N52.9Low43.2Very low88 Ų88109 Ų10947%0.47168%0.676SS.*  trans-77.8102.9-178.4-17812.2000111.8Q585 E586 L587N583-Q585 PolarHBondContact O-N 3.18Å; N583-Q585 VanDerWaalsContact OD1-CB 3.31Å; N583-Q585 WeakPolarHBondContact OD1-CB 3.23Å; N583-Q585 PolarHBondContact OD1-N 2.97Å; N583-E586 HydrophobicContact CB-CB 4.2Å; N583-E586 WeakPolarHBondContact O-CB 3.49Å; N583-E586 PolarHBondContact O-N 3.49Å; N583-E586 VanDerWaalsContact O-N 3.13Å; N583-L587 PolarHBondContact O-N 3.49Å
584V50.7Low43.5Very low101 Ų101109.1 Ų109.161%0.61268%0.677SS**Hα-helixtrans-62.1-28.9-177.8-171.60000112.6V582 E586 L587 L588V582-V584 PolarHBondContact O-N 3.32Å; V584-E586 VanDerWaalsContact C-N 3.26Å; V584-E586 PolarHBondContact O-N 2.97Å; V584-L587 PolarHBondContact O-N 3.13Å; V584-L588 HydrophobicContact CG1-CD1 4.49Å; V584-L588 PolarHBondContact O-N 2.75Å; V584-L588 VanDerWaalsContact O-N 3.08Å
585Q45.6Very low43.9Very low141 Ų141109 Ų10966%0.65968%0.681SS**Hα-helixtrans-61.6-35.7177.3-156.2773200112.2N583 S589N583-Q585 PolarHBondContact O-N 3.18Å; N583-Q585 VanDerWaalsContact OD1-CB 3.31Å; N583-Q585 WeakPolarHBondContact OD1-CB 3.23Å; N583-Q585 PolarHBondContact OD1-N 2.97Å; Q585-S589 PolarHBondContact O-N 3.45Å; Q585-S589 PolarHBondContact O-OG 3.24Å
586E49.5Very low44.3Very low132 Ų132107.5 Ų107.562%0.61768%0.681SS**Hα-helixtrans-78.8-36-179-167.4166.1-163.400111N583 V584 S589 S590N583-E586 HydrophobicContact CB-CB 4.2Å; N583-E586 WeakPolarHBondContact O-CB 3.49Å; N583-E586 PolarHBondContact O-N 3.49Å; N583-E586 VanDerWaalsContact O-N 3.13Å; V584-E586 VanDerWaalsContact C-N 3.26Å; V584-E586 PolarHBondContact O-N 2.97Å; E586-S589 WeakPolarHBondContact O-CB 3.34Å; E586-S589 PolarHBondContact O-N 2.92Å; E586-S590 WeakPolarHBondContact O-CB 3.49Å; E586-S590 PolarHBondContact O-N 2.99Å
587L51.6Low44.9Very low77 Ų77103.9 Ų103.940%0.40368%0.683SS.*Hα-helixtrans-65.8-40.2176.2-153.5157.4000111.7V582 N583 V584 S590 I591V582-L587 HydrophobicContact CG1-CD1 4.42Å; N583-L587 PolarHBondContact O-N 3.49Å; V584-L587 PolarHBondContact O-N 3.13Å; L587-S590 PolarHBondContact O-N 3.03Å; L587-I591 HydrophobicContact CD2-CD1 4.11Å; L587-I591 PolarHBondContact O-N 3.09Å
588L50.4Low45.1Very low93 Ų93105.5 Ų105.549%0.48768%0.68SS.*Hα-helixtrans-66.2-40.6171.6-70.4170.6000112.2V584 S590 I591 M592V584-L588 HydrophobicContact CG1-CD1 4.49Å; V584-L588 PolarHBondContact O-N 2.75Å; V584-L588 VanDerWaalsContact O-N 3.08Å; L588-S590 VanDerWaalsContact C-N 3.27Å; L588-S590 PolarHBondContact O-N 3.28Å; L588-I591 PolarHBondContact O-N 3.2Å; L588-M592 PolarHBondContact O-N 3.1Å
589S51.5Low45.7Very low74 Ų74103.7 Ų103.752%0.51766%0.661SS.*Hα-helixtrans-61.5-35.9175.2-570000112.2Q585 E586 I591 M592Q585-S589 PolarHBondContact O-N 3.45Å; Q585-S589 PolarHBondContact O-OG 3.24Å; E586-S589 WeakPolarHBondContact O-CB 3.34Å; E586-S589 PolarHBondContact O-N 2.92Å; S589-I591 VanDerWaalsContact C-N 3.29Å; S589-I591 PolarHBondContact O-N 3.38Å; S589-M592 PolarHBondContact O-N 3.43Å
590S46.8Very low46.3Very low101 Ų101105.5 Ų105.571%0.70666%0.663SS**Hα-helixtrans-71.2-19.9177.8-1650000113.8E586 L587 L588E586-S590 WeakPolarHBondContact O-CB 3.49Å; E586-S590 PolarHBondContact O-N 2.99Å; L587-S590 PolarHBondContact O-N 3.03Å; L588-S590 VanDerWaalsContact C-N 3.27Å; L588-S590 PolarHBondContact O-N 3.28Å
591I51Low46.8Very low104 Ų104104.8 Ų104.853%0.53365%0.65SS.*Hα-helixtrans-86.8-33.2174.6-67.7170.6000111.5L587 L588 S589 G593L587-I591 HydrophobicContact CD2-CD1 4.11Å; L587-I591 PolarHBondContact O-N 3.09Å; L588-I591 PolarHBondContact O-N 3.2Å; S589-I591 VanDerWaalsContact C-N 3.29Å; S589-I591 PolarHBondContact O-N 3.38Å; I591-G593 VanDerWaalsContact C-N 3.26Å; I591-G593 PolarHBondContact O-N 3.38Å
592M49.4Very low47.2Very low146 Ų146103.1 Ų103.172%0.71963%0.633SS**  trans-8933.9-177.4-60.5-169-59.500113.9L588 S589 A594L588-M592 PolarHBondContact O-N 3.1Å; S589-M592 PolarHBondContact O-N 3.43Å; M592-A594 VanDerWaalsContact C-N 3.29Å; M592-A594 PolarHBondContact O-N 2.96Å
593G50.3Low47.8Very low74 Ų74102.6 Ų102.676%0.76363%0.626SS**  trans-79.650.4-174.200000115.9I591I591-G593 VanDerWaalsContact C-N 3.26Å; I591-G593 PolarHBondContact O-N 3.38Å
594A35.1Very low48Very low91 Ų91103.9 Ų103.975%0.75263%0.631SS**  trans-145.4124.2176.100000113.4M592M592-A594 VanDerWaalsContact C-N 3.29Å; M592-A594 PolarHBondContact O-N 2.96Å
595S42.6Very low48Very low129 Ų129105.9 Ų105.990%0.90263%0.632SS**  trans-89.2113.7171.855.90000111.1
596G41.4Very low48.5Very low67 Ų67104.3 Ų104.369%0.69162%0.624SS**SBendtrans138130.1177.100000111.1Q598G596-Q598 PolarHBondContact O-N 3Å
597G43.9Very low48.5Very low88 Ų88103.1 Ų103.191%0.90763%0.628SS**  trans-70.5112.5-170.400000113.6
598Q40.8Very low48.4Very low159 Ų159104 Ų10474%0.74363%0.633SS**  trans-128.6157.4158.9-71.4-166.4-46.100109.3G596G596-Q598 PolarHBondContact O-N 3Å
599S47.9Very low49Very low59 Ų59103.2 Ų103.241%0.41363%0.626SS.*  trans-82.8147.9-171.172.40000112.6E601 E602S599-E601 PolarHBondContact O-N 3.34Å; S599-E601 VanDerWaalsContact O-N 3.17Å; S599-E602 PolarHBondContact O-N 3.13Å; S599-E602 PolarHBondContact OG-OE2 3.25Å
600T48Very low49.3Very low120 Ų120102.5 Ų102.574%0.73662%0.621SS**Hα-helixtrans-60.2-24.7174.246.40000112.8E602 L603T600-E602 VanDerWaalsContact C-N 3.34Å; T600-E602 PolarHBondContact O-N 3.08Å; T600-L603 PolarHBondContact O-N 3.31Å
601E50.4Low50.1Low109 Ų109102 Ų10251%0.50961%0.61SS.*Hα-helixtrans-67.1-28.3-178.3-168.658.2-150.700113.4S599 K605S599-E601 PolarHBondContact O-N 3.34Å; S599-E601 VanDerWaalsContact O-N 3.17Å; E601-K605 VanDerWaalsContact O-CD 3.26Å; E601-K605 WeakPolarHBondContact O-CD 3.49Å; E601-K605 VanDerWaalsContact O-CE 3.29Å; E601-K605 WeakPolarHBondContact O-CE 3.48Å; E601-K605 WeakPolarHBondContact O-CG 3.49Å; E601-K605 VanDerWaalsContact OE1-CE 3.22Å; E601-K605 WeakPolarHBondContact OE1-CE 3.48Å; E601-K605 IonicContact OE1-NZ 3.96Å; E601-K605 PolarHBondContact OE1-NZ 3.35Å
602E48.3Very low50.6Low107 Ų107102.5 Ų102.550%0.561%0.609SS.*Hα-helixtrans-83.5-34.6177.4-71.5173.999.900112.6S599 T600 I604 K605S599-E602 PolarHBondContact O-N 3.13Å; S599-E602 PolarHBondContact OG-OE2 3.25Å; T600-E602 VanDerWaalsContact C-N 3.34Å; T600-E602 PolarHBondContact O-N 3.08Å; E602-I604 VanDerWaalsContact C-N 3.33Å; E602-I604 PolarHBondContact O-N 2.9Å; E602-K605 PolarHBondContact O-N 3.29Å
603L55.7Low51.4Low95 Ų9599.4 Ų99.450%0.49759%0.594SS.*Hα-helixtrans-66.2-36.3-176.1-135.174.9000112.3T600 K605 Q606T600-L603 PolarHBondContact O-N 3.31Å; L603-K605 VanDerWaalsContact C-N 3.26Å; L603-K605 PolarHBondContact O-N 3.28Å; L603-Q606 PolarHBondContact O-N 3.23Å
604I57.3Low51.9Low114 Ų114101.7 Ų101.759%0.58558%0.583SS**THydrogen-bonded Turntrans-70.8-22.5178.7-64.2170.2000111.6E602 Q606E602-I604 VanDerWaalsContact C-N 3.33Å; E602-I604 PolarHBondContact O-N 2.9Å; I604-Q606 VanDerWaalsContact C-N 3.34Å
605K50.7Low53.2Low143 Ų143104.2 Ų104.262%0.62258%0.579SS**THydrogen-bonded Turntrans-84.3-2.9-178.6-68171.3-171.7166.90113.6E601 E602 L603E601-K605 VanDerWaalsContact O-CD 3.26Å; E601-K605 WeakPolarHBondContact O-CD 3.49Å; E601-K605 VanDerWaalsContact O-CE 3.29Å; E601-K605 WeakPolarHBondContact O-CE 3.48Å; E601-K605 WeakPolarHBondContact O-CG 3.49Å; E601-K605 VanDerWaalsContact OE1-CE 3.22Å; E601-K605 WeakPolarHBondContact OE1-CE 3.48Å; E601-K605 IonicContact OE1-NZ 3.96Å; E601-K605 PolarHBondContact OE1-NZ 3.35Å; E602-K605 PolarHBondContact O-N 3.29Å; L603-K605 VanDerWaalsContact C-N 3.26Å; L603-K605 PolarHBondContact O-N 3.28Å
606Q56.5Low53.8Low108 Ų108102.7 Ų102.751%0.50556%0.561SS.*  trans-77.3131.4173.6-68.1-157.6-1700112L603 I604 D608 F609L603-Q606 PolarHBondContact O-N 3.23Å; I604-Q606 VanDerWaalsContact C-N 3.34Å; Q606-D608 VanDerWaalsContact C-N 3.28Å; Q606-D608 PolarHBondContact O-N 3.24Å; Q606-F609 WeakPolarHBondContact O-CB 3.44Å; Q606-F609 PolarHBondContact O-N 3.12Å
607P49.8Very low54.5Low107 Ų107105.3 Ų105.370%0.69556%0.558SS**THydrogen-bonded Turntrans-61.5-34.9-175.624.5-34000113F609P607-F609 PolarHBondContact O-N 3.42Å
608D47.8Very low55Low96 Ų96103 Ų10351%0.51353%0.534SS..THydrogen-bonded Turntrans-74.6-10.3-176.1-52.6-23.1000113.6Q606 S610 D611 K612Q606-D608 VanDerWaalsContact C-N 3.28Å; Q606-D608 PolarHBondContact O-N 3.24Å; D608-S610 VanDerWaalsContact C-N 3.31Å; D608-S610 PolarHBondContact O-N 2.87Å; D608-D611 PolarHBondContact O-N 2.98Å; D608-K612 WeakPolarHBondContact O-CG 3.31Å; D608-K612 PolarHBondContact O-N 3.35Å; D608-K612 VanDerWaalsContact O-N 3.1Å
609F64.5Low55.3Low76 Ų7699 Ų9933%0.33352%0.524SS..Hα-helixtrans-63.6-39.4-179-169.4-104.7000111.5Q606 P607 D611 I613Q606-F609 WeakPolarHBondContact O-CB 3.44Å; Q606-F609 PolarHBondContact O-N 3.12Å; P607-F609 PolarHBondContact O-N 3.42Å; F609-D611 VanDerWaalsContact C-N 3.28Å; F609-D611 PolarHBondContact O-N 2.88Å; F609-I613 HydrophobicContact CD1-CD1 3.96Å; F609-I613 HydrophobicContact CE1-CD1 3.66Å; F609-I613 HydrophobicContact CZ-CD1 4.17Å; F609-I613 WeakPolarHBondContact O-CG1 3.45Å; F609-I613 PolarHBondContact O-N 2.83Å
610S56.5Low55.1Low59 Ų59102.3 Ų102.341%0.41354%0.536SS..Hα-helixtrans-53.7-43.9172.7-169.80000112.4D608 K614D608-S610 VanDerWaalsContact C-N 3.31Å; D608-S610 PolarHBondContact O-N 2.87Å; S610-K614 WeakPolarHBondContact O-CG 3.43Å; S610-K614 PolarHBondContact O-N 3.44Å; S610-K614 WeakPolarHBondContact OG-CE 3.19Å; S610-K614 PolarHBondContact OG-NZ 3.01Å
611D64.7Low55.3Low90 Ų90103 Ų10348%0.48153%0.531SS..Hα-helixtrans-87.4-29.1-167.6-70.8-5000112.1D608 F609 I613 K614 Q615D608-D611 PolarHBondContact O-N 2.98Å; F609-D611 VanDerWaalsContact C-N 3.28Å; F609-D611 PolarHBondContact O-N 2.88Å; D611-I613 VanDerWaalsContact C-N 3.32Å; D611-I613 PolarHBondContact O-N 2.88Å; D611-K614 PolarHBondContact O-N 3.35Å; D611-K614 WeakPolarHBondContact OD1-CD 3.35Å; D611-K614 WeakPolarHBondContact OD1-CE 3.39Å; D611-K614 IonicContact OD1-NZ 3.53Å; D611-K614 PolarHBondContact OD1-NZ 3.12Å; D611-Q615 WeakPolarHBondContact O-CB 3.34Å; D611-Q615 PolarHBondContact O-N 3.43Å
612K60.3Low55.3Low116 Ų116105 Ų10550%0.50454%0.541SS..Hα-helixtrans-59.8-41166.8-71.3171.1-177.4170.10111.9D608 Q615 L616D608-K612 WeakPolarHBondContact O-CG 3.31Å; D608-K612 PolarHBondContact O-N 3.35Å; D608-K612 VanDerWaalsContact O-N 3.1Å; K612-Q615 PolarHBondContact O-N 3.33Å; K612-L616 PolarHBondContact O-N 3.48Å; K612-L616 VanDerWaalsContact O-N 3.08Å
613I66.3Low55.1Low81 Ų81104 Ų10442%0.41555%0.545SS..Hα-helixtrans-65.8-44.4176-67.1170.2000111F609 D611 Q615 L616 L617F609-I613 HydrophobicContact CD1-CD1 3.96Å; F609-I613 HydrophobicContact CE1-CD1 3.66Å; F609-I613 HydrophobicContact CZ-CD1 4.17Å; F609-I613 WeakPolarHBondContact O-CG1 3.45Å; F609-I613 PolarHBondContact O-N 2.83Å; D611-I613 VanDerWaalsContact C-N 3.32Å; D611-I613 PolarHBondContact O-N 2.88Å; I613-Q615 VanDerWaalsContact C-N 3.31Å; I613-Q615 PolarHBondContact O-N 3.05Å; I613-L616 PolarHBondContact O-N 3.37Å; I613-L617 HydrophobicContact CG2-CD1 4.3Å; I613-L617 PolarHBondContact O-N 3.39Å
614K62.2Low54.4Low121 Ų121107 Ų10753%0.52656%0.557SS.*Hα-helixtrans-61.1-39.2175.6-67.2166.7-157.8159.80112.2S610 D611 L617 G618S610-K614 WeakPolarHBondContact O-CG 3.43Å; S610-K614 PolarHBondContact O-N 3.44Å; S610-K614 WeakPolarHBondContact OG-CE 3.19Å; S610-K614 PolarHBondContact OG-NZ 3.01Å; D611-K614 PolarHBondContact O-N 3.35Å; D611-K614 WeakPolarHBondContact OD1-CD 3.35Å; D611-K614 WeakPolarHBondContact OD1-CE 3.39Å; D611-K614 IonicContact OD1-NZ 3.53Å; D611-K614 PolarHBondContact OD1-NZ 3.12Å; K614-L617 PolarHBondContact O-N 2.95Å; K614-G618 PolarHBondContact O-N 3.18Å
615Q62Low53.7Low145 Ų145108.1 Ų108.168%0.67856%0.562SS**Hα-helixtrans-67.6-38.5179.5-164169.340.500112D611 K612 I613 S619D611-Q615 WeakPolarHBondContact O-CB 3.34Å; D611-Q615 PolarHBondContact O-N 3.43Å; K612-Q615 PolarHBondContact O-N 3.33Å; I613-Q615 VanDerWaalsContact C-N 3.31Å; I613-Q615 PolarHBondContact O-N 3.05Å; Q615-S619 WeakPolarHBondContact O-CB 3.35Å; Q615-S619 PolarHBondContact O-N 3.46Å; Q615-S619 VanDerWaalsContact O-N 3.13Å; Q615-S619 PolarHBondContact O-OG 2.75Å
616L55.5Low53.1Low97 Ų97109.8 Ų109.851%0.50857%0.572SS.*Hα-helixtrans-64.5-46.3172-78.2163.8000112.7K612 I613 S619 L620K612-L616 PolarHBondContact O-N 3.48Å; K612-L616 VanDerWaalsContact O-N 3.08Å; I613-L616 PolarHBondContact O-N 3.37Å; L616-S619 PolarHBondContact O-N 3.22Å; L616-L620 PolarHBondContact O-N 3.08Å
617L55.3Low52.1Low122 Ų122110.4 Ų110.464%0.63958%0.584SS**Hα-helixtrans-62.7-44175.6-98.772.1000112.5I613 K614 S619 L620 Q621I613-L617 HydrophobicContact CG2-CD1 4.3Å; I613-L617 PolarHBondContact O-N 3.39Å; K614-L617 PolarHBondContact O-N 2.95Å; L617-S619 PolarHBondContact O-N 3.22Å; L617-L620 PolarHBondContact O-N 3.17Å; L617-L620 VanDerWaalsContact O-N 3.15Å; L617-Q621 PolarHBondContact O-N 3.42Å; L617-Q621 VanDerWaalsContact O-N 3.15Å
618G53.8Low51.3Low39 Ų39114.3 Ų114.340%0.40259%0.593SS.*Hα-helixtrans-60.3-35.2177.900000112.9K614 L620 Q621 Q622K614-G618 PolarHBondContact O-N 3.18Å; G618-L620 VanDerWaalsContact C-N 3.34Å; G618-L620 PolarHBondContact O-N 3.42Å; G618-Q621 PolarHBondContact O-N 3.36Å; G618-Q622 PolarHBondContact O-N 3.29Å
619S47.9Very low50.5Low76 Ų76113.8 Ų113.853%0.53161%0.61SS.*Hα-helixtrans-67-34.6177.5-58.40000112.4Q615 L616 L617Q615-S619 WeakPolarHBondContact O-CB 3.35Å; Q615-S619 PolarHBondContact O-N 3.46Å; Q615-S619 VanDerWaalsContact O-N 3.13Å; Q615-S619 PolarHBondContact O-OG 2.75Å; L616-S619 PolarHBondContact O-N 3.22Å; L617-S619 PolarHBondContact O-N 3.22Å
620L44.6Very low48.9Very low128 Ų128113.2 Ų113.267%0.6763%0.626SS**Hα-helixtrans-73.9-33.8176.6-16866.3000112.5L616 L617 G618 Q622 S623L616-L620 PolarHBondContact O-N 3.08Å; L617-L620 PolarHBondContact O-N 3.17Å; L617-L620 VanDerWaalsContact O-N 3.15Å; G618-L620 VanDerWaalsContact C-N 3.34Å; G618-L620 PolarHBondContact O-N 3.42Å; L620-Q622 VanDerWaalsContact C-N 3.3Å; L620-Q622 PolarHBondContact O-N 3.4Å; L620-S623 PolarHBondContact O-OG 3.21Å
621Q51.2Low48.4Very low135 Ų135116.6 Ų116.663%0.63165%0.646SS**Hα-helixtrans-65.4-34.3175.2-165.6888200111.9L617 G618L617-Q621 PolarHBondContact O-N 3.42Å; L617-Q621 VanDerWaalsContact O-N 3.15Å; G618-Q621 PolarHBondContact O-N 3.36Å
622Q49.7Very low47Very low151 Ų151118 Ų11871%0.70666%0.66SS**Hα-helixtrans-85.1-22.5-169.9-163.315818.500114.2G618 L620 Q624G618-Q622 PolarHBondContact O-N 3.29Å; L620-Q622 VanDerWaalsContact C-N 3.3Å; L620-Q622 PolarHBondContact O-N 3.4Å; Q622-Q624 VanDerWaalsContact C-N 3.28Å; Q622-Q624 PolarHBondContact O-N 3.36Å
623S44.7Very low45.7Very low85 Ų85118.7 Ų118.759%0.59468%0.676SS**G310 helixtrans-70.7-21.1175.860.40000113.6L620 I625L620-S623 PolarHBondContact O-OG 3.21Å; S623-I625 VanDerWaalsContact C-N 3.35Å; S623-I625 PolarHBondContact O-N 3.47Å
624Q41.9Very low44.3Very low159 Ų159121.2 Ų121.274%0.74370%0.695SS**G310 helixtrans-81.9-9.7-177.3-151.5173.522.100114.1Q622Q622-Q624 VanDerWaalsContact C-N 3.28Å; Q622-Q624 PolarHBondContact O-N 3.36Å
625I41.4Very low42.6Very low137 Ų137122.1 Ų122.170%0.70371%0.706SS**G310 helixtrans-98-6.6-171.3-64.5175000112.7S623S623-I625 VanDerWaalsContact C-N 3.35Å; S623-I625 PolarHBondContact O-N 3.47Å
626Q37.7Very low41.1Very low178 Ų178123.2 Ų123.283%0.83272%0.716SS**SBendtrans-112.440-168.7-156.1167.191.100115
627T36.9Very low39.7Very low121 Ų121122 Ų12274%0.74273%0.726SS**SBendtrans-137.4152.7162.756.70000112.1
628Q32.6Very low38.3Very low188 Ų188123.7 Ų123.788%0.87974%0.735SS**  trans67.585.2175.7-57.4-162.284.200117.7
629G30.7Very low37.3Very low86 Ų86129.1 Ų129.189%0.88775%0.754SS**  trans-115.5122.7142.100000109.2
630G31.7Very low36.4Very low64 Ų64129.1 Ų129.166%0.6677%0.766SS**SBendtrans140.1132.5-178.600000112.8
631P46.2Very low35.8Very low130 Ų130131.9 Ų131.984%0.84478%0.775SS**  trans-97.8146.2-171.136.2-34.5000114.9
632P34.7Very low34.6Very low118 Ų118128.8 Ų128.877%0.76678%0.78SS**  trans-97.9165.2163.536.5-31.6000113.4
633P33.1Very low34.3Very low131 Ų131128.1 Ų128.185%0.85179%0.789SS**  trans-97.2-177.2-171.139.1-37.1000115.4
634V36Very low33.4Very low134 Ų134126.9 Ų126.981%0.81279%0.79SS**  trans-105.5147-172.7-69.60000115.1
635N27.9Very low32.9Very low141 Ų141127.7 Ų127.775%0.75480%0.795SS**  trans-172.2121.3145.8-104.4-83.2000107.6
636L29.2Very low32.5Very low168 Ų168127.9 Ų127.988%0.8880%0.798SS**  75.4133.991.1-11773.3000114.9
637G26.1Very low32.1Very low70 Ų70126.4 Ų126.472%0.72280%0.796SS**  cis-130.1-176.6-1.400000112.4
638L27.6Very low31.6Very low158 Ų158128.7 Ų128.783%0.82780%0.8SS**SBend-156.5130.659.7-178.670.5000113.1
639L32.4Very low31.4Very low153 Ų153125 Ų12580%0.80179%0.791SS**  trans55.7119.9161.7-66.7168.7000120.9
640G28Very low31.4Very low77 Ų77127.2 Ų127.279%0.79478%0.782SS**  trans165.395.7166.100000113.5
641H32.1Very low31.3Very low185 Ų185132.2 Ų132.286%0.85679%0.79SS**  trans-71.2151.8-167.4-67.787.6000116.1
642G25.9Very low30.5Very low71 Ų71133.3 Ų133.373%0.73278%0.784SS**  trans-81.5-158.9166.700000113.5
643P42.8Very low30.2Very low136 Ų136134.3 Ų134.388%0.88378%0.78SS**  cis-125.9-17427.442-27.8000114.1
644G27.6Very low30Very low60 Ų60136.6 Ų136.662%0.61978%0.779SS**  cis151.8145.9-1200000114.2
645M31.4Very low29.9Very low175 Ų175133.4 Ų133.486%0.86277%0.773SS**  trans66.8151.4165.9-68.7124.873.800118.2
646N32Very low30.6Very low141 Ų141132.6 Ų132.675%0.75478%0.776SS**  cis-151.1173.56.8-119.5-14.9000113.2
647N28.4Very low30.6Very low148 Ų148132.5 Ų132.579%0.79177%0.773SS**  trans-60.4164.8172.8-68-46.5000113.2
648M27.3Very low30.7Very low168 Ų168137 Ų13783%0.82878%0.78SS**  179.6158.667.6-140.7170.4-175.700115.3
649T28.5Very low30.6Very low111 Ų111133 Ų13368%0.68178%0.778SS**  trans31.4124.2150.445.20000124.3
650N30.2Very low30.3Very low133 Ų133129.5 Ų129.571%0.71178%0.778SS**  35.7114.6114.8-179.434.4000119.9
651M29.5Very low30.3Very low168 Ų168136.9 Ų136.983%0.82878%0.784SS**  -164.9179.5128.2-112.4-57.8166.400114.3
652H29.9Very low31.2Very low154 Ų154133.1 Ų133.171%0.71378%0.776SS**  trans-111.1176.6-168.4-165.456.1000112.2
653M28.1Very low31.8Very low139 Ų139135.9 Ų135.969%0.68578%0.781SS**  trans83.6150.9156.9-89.7-63.1166.500123.5
654Q28.5Very low31.2Very low178 Ų178136.6 Ų136.683%0.83278%0.777SS**  trans68119.7153.3-73167.137.400121
655G34.1Very low31.2Very low67 Ų67139.1 Ų139.169%0.69179%0.785SS**  trans-122.3161.7139.500000109.9
656P43.4Very low31.2Very low124 Ų124136.1 Ų136.181%0.80578%0.782SS**  trans-105.4134.1150.9-122.3000109.1
657M27.9Very low31.4Very low167 Ų167135.8 Ų135.882%0.82379%0.787SS**  86.2139.159.9-82.3-68.2-168.400114.9
658N28.4Very low31.3Very low163 Ų163132.3 Ų132.387%0.87279%0.787SS**  trans70.6136.4-179.8-59-63.4000116.9
659G25.5Very low31.5Very low75 Ų75127.6 Ų127.677%0.77378%0.781SS**  cis174.4167.2-6.900000113.5
660G26Very low31.9Very low79 Ų79128 Ų12881%0.81479%0.785SS**  trans121.4105.7172.500000114.8
661Y29.1Very low31.9Very low233 Ų233133.1 Ų133.191%0.91480%0.795SS**PPolyproline II helixtrans-94.7162.6160.7-93.9-92.6000109.9
662P50.8Low32Very low105 Ų105134 Ų13468%0.68279%0.794SS**PPolyproline II helixtrans-99.3172.5-157.639.6-37.8000114.4
663P38.8Very low32.3Very low129 Ų129134.2 Ų134.284%0.83880%0.801SS**PPolyproline II helixtrans-90.1155.8153.635.3-30.1000112.2
664N30.1Very low32.7Very low151 Ų151133.7 Ų133.781%0.80780%0.796SS**  trans-109.3136.8-174.7171.129.6000111.7
665S26.7Very low33.4Very low113 Ų113130.4 Ų130.479%0.7979%0.79SS**  trans-163.3129.2158.858.40000112.9
666S32.9Very low33.7Very low112 Ų112132.8 Ų132.878%0.78379%0.794SS**  trans-107.8142.7157.6-67.20000108
667P35.1Very low33.5Very low134 Ų134132.6 Ų132.687%0.8779%0.793SS**  -151.6170.688.639.8-22.8000115.7
668G26Very low34.1Very low76 Ų76130.5 Ų130.578%0.78479%0.791SS**  trans130.2100.3160.600000115.1
669G31.3Very low34.6Very low69 Ų69130.6 Ų130.671%0.71179%0.786SS**PPolyproline II helixtrans-76.3146.2177.400000113.8
670P37Very low35Very low118 Ų118134.8 Ų134.877%0.76679%0.791SS**PPolyproline II helixtrans-68.8147.5179.629.1-35.4000112.3
671R30.1Very low35.6Very low241 Ų241138.8 Ų138.891%0.90979%0.788SS**PPolyproline II helixtrans-89.7126.7174.2-64-167.5-176.3-80.10.4110.7
672F32.9Very low35.9Very low186 Ų186130.8 Ų130.882%0.81678%0.777SS**PPolyproline II helixtrans-74.6132.8173.5-70.7-96.8000111.3
673N36.4Very low35.7Very low160 Ų160131.3 Ų131.386%0.85678%0.78SS**PPolyproline II helixtrans-85.3141.6160.5-78.6-30.6000109.5
674H35Very low35.5Very low127 Ų127131.1 Ų131.159%0.58878%0.779SS**PPolyproline II helixtrans-89.9141.3178.8-68.1-67.7000111.8
675P43.3Very low35.6Very low109 Ų109134.1 Ų134.171%0.70879%0.785SS**PPolyproline II helixtrans-74.7162.8162.833-34.5000111.8
676P41.2Very low35.9Very low117 Ų117136.3 Ų136.376%0.7679%0.788SS**PPolyproline II helixtrans-68.716317330-35.6000112.7
677P38.1Very low36Very low120 Ų120138.3 Ų138.378%0.77979%0.79SS**PPolyproline II helixtrans-74.2148-17731.1-35.7000112.9
678P42.3Very low36.2Very low123 Ų123137.4 Ų137.480%0.79978%0.784SS**PPolyproline II helixtrans-74.5148.6175.431.9-35000112
679H37.3Very low36.4Very low165 Ų165138 Ų13876%0.76479%0.79SS**PPolyproline II helixtrans-85.8143.7170.2-137.762.7000110.2H681H679-H681 PolarHBondContact O-N 3.24Å; H679-H681 VanDerWaalsContact O-N 3.12Å
680N35.5Very low36.3Very low164 Ų164137.8 Ų137.888%0.87779%0.788SS**  trans-73.5104-179-88.4-9.3000111.4
681H38.7Very low36.3Very low162 Ų162138.5 Ų138.575%0.7579%0.793SS**  trans-116.5127.8161.3-66.1-83.2000109.2H679H679-H681 PolarHBondContact O-N 3.24Å; H679-H681 VanDerWaalsContact O-N 3.12Å
682G35.2Very low36.5Very low66 Ų66138.7 Ų138.768%0.6879%0.793SS**PPolyproline II helixtrans-70.6164.8178.300000112.8
683P45Very low36.6Very low116 Ų116138.3 Ų138.375%0.75380%0.796SS**PPolyproline II helixtrans-64.9148.617928.4-35.1000111.8
684P34.9Very low36.7Very low124 Ų124139.9 Ų139.981%0.80580%0.801SS**PPolyproline II helixtrans-71.4131.8-179.929.2-34.4000111.4
685F33.6Very low36.4Very low215 Ų215137 Ų13794%0.94381%0.806SS**PPolyproline II helixtrans-69.4131.7166.6-79.7-92.4000110.1
686N32.7Very low36.1Very low159 Ų159138.1 Ų138.185%0.8581%0.813SS**  trans-138.9109.3173.1-167.723000109.1
687N34Very low35.7Very low153 Ų153143.8 Ų143.882%0.81882%0.819SS**  trans-145.6142.1174.3-155.259000109
688P39.1Very low35.6Very low116 Ų116143.4 Ų143.475%0.75382%0.816SS**  trans-94.5150.6-162.235.6-35.5000114.8
689G30.7Very low35.3Very low88 Ų88141 Ų14191%0.90781%0.814SS**  trans91.9111155.900000116.8
690G28.7Very low35.2Very low64 Ų64142.2 Ų142.266%0.6682%0.82SS**  trans168.5131.3171.100000110.8
691P38.3Very low34.7Very low134 Ų134137.8 Ų137.887%0.8781%0.814SS**  trans-73.8142.9-166.229.2-35.3000113
692R34.3Very low34.4Very low244 Ų244140.4 Ų140.492%0.92182%0.817SS**  trans-113.9117.2174.3-73.3-176.1175.3166.9-0.3111
693M33.9Very low34Very low179 Ų179140.5 Ų140.588%0.88282%0.817SS**  trans-98.2133.8163.1-69.2-72178.400108.9
694M38.1Very low33.3Very low193 Ų193141.4 Ų141.495%0.95181%0.812SS**  trans161.3148140.8-88-61.1170.100111.3
695G30.3Very low33.1Very low67 Ų67142.4 Ų142.469%0.69181%0.81SS**  trans-91.5-176.3-172.600000116.5
696P36.4Very low33.1Very low131 Ų131135.3 Ų135.385%0.85180%0.797SS**  trans-87.7143.7-162.833.6-36.6000115.6
697R33Very low33Very low236 Ų236134.3 Ų134.389%0.89179%0.792SS**  trans-151.4161.9166-72.3-161.9172.2-88.6-4.6108.7
698P35.5Very low32.5Very low112 Ų112136.2 Ų136.273%0.72779%0.789SS**  -117.7165.3-91.116.47.3000112.9
699G36.2Very low32.1Very low73 Ų73140.5 Ų140.575%0.75379%0.79SS**  trans-81138.1177.600000114.5
700Q34.2Very low31.8Very low190 Ų190139.7 Ų139.789%0.88878%0.782SS**  trans-130.2144.2156.4-115.886.134.200107.4
701G26.8Very low31.6Very low72 Ų72145.2 Ų145.274%0.74279%0.791SS**  trans-139.8-163.5-17500000114
702R30.8Very low31.1Very low217 Ų217145 Ų14582%0.81978%0.782SS**  trans70.9151.2-162.9-63.8-172.7177.7-119.43.7114.8E704R702-E704 WeakPolarHBondContact CD-OE2 3.4Å; R702-E704 IonicContact CZ-OE2 3.54Å; R702-E704 IonicContact NE-OE2 2.76Å; R702-E704 IonicContact NH1-OE1 2.75Å; R702-E704 PolarHBondContact NH1-OE1 3.32Å; R702-E704 IonicContact NH1-OE2 3.2Å; R702-E704 PolarHBondContact NH1-OE2 2.93Å
703G27Very low30.8Very low67 Ų67137.1 Ų137.169%0.69177%0.765SS**  cis143.5159.1-12.200000116.4
704E31.6Very low30.6Very low136 Ų136135.4 Ų135.464%0.63676%0.756SS**  trans70121154.3-64.5151.810900121R702R702-E704 WeakPolarHBondContact CD-OE2 3.4Å; R702-E704 IonicContact CZ-OE2 3.54Å; R702-E704 IonicContact NE-OE2 2.76Å; R702-E704 IonicContact NH1-OE1 2.75Å; R702-E704 PolarHBondContact NH1-OE1 3.32Å; R702-E704 IonicContact NH1-OE2 3.2Å; R702-E704 PolarHBondContact NH1-OE2 2.93Å
705N30.2Very low30.2Very low145 Ų145136.8 Ų136.878%0.77575%0.751SS**  -169.2156.3111.9-102.6-86.4000108.9N707N705-N707 PolarHBondContact OD1-ND2 2.97Å
706G33.6Very low30.1Very low65 Ų65137.4 Ų137.467%0.6776%0.758SS**  cis149.2157.4-2.900000111.8
707N30.1Very low29.7Very low138 Ų138134.6 Ų134.674%0.73875%0.752SS**  cis-157.3145.3-9.3-64.9-59.2000109.6N705N705-N707 PolarHBondContact OD1-ND2 2.97Å
708Y23.9Very low30.2Very low193 Ų193128.3 Ų128.376%0.75774%0.742SS**  trans-160.8121.1170.2-146.9-135.7000107.1
709W30.5Very low30.1Very low206 Ų206130.9 Ų130.978%0.7874%0.744SS**  cis-129.5-171.56-80.6107.4000111.1
710G25.1Very low29.8Very low71 Ų71138.5 Ų138.573%0.73275%0.75SS**  trans-71.6-168.8149.500000112.2
711E24.4Very low29.5Very low181 Ų181133.5 Ų133.585%0.84675%0.749SS**  cis-155.5158.111.8-159.4-179.3170.900110.4
712D27.7Very low29.6Very low129 Ų129133.5 Ų133.569%0.6975%0.749SS**  trans49.3132.3158.9-113.8-80.7000126.3
713S28.1Very low29.6Very low79 Ų79131 Ų13155%0.55275%0.746SS**  trans85.2133.3131.3-100.30000125.2
714M29.6Very low29.8Very low142 Ų142137.7 Ų137.770%0.776%0.757SS**  trans68.8153.7155.3-55.9-61162.700118.1
715R29.8Very low30Very low222 Ų222139 Ų13984%0.83876%0.762SS**  cis-171.3129.5-24.2169.1-177.6-67.1-130.9-0.1109.3
716G27.8Very low30.2Very low81 Ų81144 Ų14484%0.83577%0.771SS**  trans121.1155.1158.300000117.8
717G27.6Very low30.1Very low72 Ų72144.7 Ų144.774%0.74278%0.777SS**  trans-144.2-139.7166.900000107.4
718P44.8Very low30Very low103 Ų103141.3 Ų141.367%0.66978%0.775SS**  cis-140.8-163.9-11.827.7-1.7000113.5
719H32.4Very low30.4Very low167 Ų167144.4 Ų144.477%0.77379%0.786SS**  trans85.5153.5165.4-47-50.3000117.2
720R30.1Very low30.3Very low233 Ų233138.3 Ų138.388%0.87979%0.786SS**  cis-157.1139.73.6-142.1177.4-160.3-153.37.3113.6
721G28.5Very low30.7Very low84 Ų84146.8 Ų146.887%0.86680%0.796SS**  trans72.9155.8155.600000117.6
722G28.7Very low30.9Very low72 Ų72141.7 Ų141.774%0.74279%0.792SS**  cis-169.4147.9-8.100000110.8
723H29.5Very low30.9Very low164 Ų164139.4 Ų139.476%0.75980%0.799SS**  trans-120.4135.2-173.7-128.568.6000111.1H725H723-H725 AromaticContact CD2-CE1 3.71Å; H723-H725 AromaticContact CD2-NE2 3.95Å; H723-H725 AromaticContact NE2-CE1 3.94Å
724F31.3Very low30.8Very low208 Ų208143.5 Ų143.591%0.91282%0.815SS**  trans-123.4144.5170.8-76.8-75.8000111.1
725H36.8Very low30.9Very low163 Ų163143.9 Ų143.976%0.75582%0.819SS**  trans-138.1157.2175.5-74.1-33.8000110.5H723H723-H725 AromaticContact CD2-CE1 3.71Å; H723-H725 AromaticContact CD2-NE2 3.95Å; H723-H725 AromaticContact NE2-CE1 3.94Å
726R34.3Very low30.8Very low252 Ų252137.3 Ų137.395%0.95182%0.82SS**  trans104.3121.6144-169.7-176.2-66.1-143.3-3.8119.2
727G30.3Very low31Very low78 Ų78142.2 Ų142.280%0.80482%0.819SS**  trans152.6129.715300000111.7
728G28.9Very low31.3Very low68 Ų68150.8 Ų150.870%0.70183%0.829SS**  cis-138.5159.6-7.200000111
729R32.3Very low30.6Very low258 Ų258149.5 Ų149.597%0.97483%0.834SS**  53.613095-59.2-169.8-163.7-105.511.2114.7
730G29.3Very low30.5Very low77 Ų77153.4 Ų153.479%0.79484%0.842SS**  cis122.378.1-4.700000115.3
731R32.4Very low30.4Very low250 Ų250145.4 Ų145.494%0.94383%0.832SS**  trans-154.1146159.4-80.3-166.4-170.8-114.77.8106.3
732G28.2Very low30.6Very low74 Ų74153.9 Ų153.976%0.76384%0.838SS**  cis94.2101.17.200000112
733G28.3Very low30.5Very low81 Ų81154.3 Ų154.384%0.83584%0.843SS**  cis138.4114.3-1.100000110.8
734D26.9Very low30.4Very low164 Ų164149.9 Ų149.988%0.87784%0.841SS**  trans-152.5154.8178.1-147.7-36.5000110.5
735L31.5Very low31.6Very low151 Ų151146.1 Ų146.179%0.79184%0.837SS**  trans-132.998.9-168.2-81.8169.2000112.9
736G28Very low31.3Very low83 Ų83150.5 Ų150.586%0.85685%0.847SS**  trans-10883.1-175.700000115.3R738G736-R738 PolarHBondContact O-N 3.34Å
737F30Very low31.1Very low184 Ų184142.2 Ų142.281%0.80784%0.84SS**  trans-55.9119.6-176.5-84.8-108.2000116.7
738R34.2Very low31.1Very low253 Ų253142.2 Ų142.296%0.95584%0.84SS**  -151.6140.7116.9-61.2-167.4-170.3-170.34.6107.5G736G736-R738 PolarHBondContact O-N 3.34Å
739G30.8Very low31.9Very low76 Ų76147.7 Ų147.778%0.78485%0.847SS**SBendcis169.8153.8-5.900000107.8
740R30.6Very low32.1Very low248 Ų248142.4 Ų142.494%0.93684%0.838SS**  cis-144.7135.54.6171-161.2-76.3-98.57.2107.3
741G27.5Very low33Very low65 Ų65145.2 Ų145.267%0.6784%0.835SS**  trans-111.3178.1178.600000115.1
742R32.8Very low34.1Very low263 Ų263140.6 Ų140.699%0.99283%0.826SS**  trans72.9131.4167.4-60.3-176.5176.6-117.9-2118
743G26.9Very low35.4Very low81 Ų81143.4 Ų143.484%0.83582%0.824SS**  trans-16742.8175.900000112.2
744G28Very low37.1Very low71 Ų71143 Ų14373%0.73280%0.802SS**  trans-72.4177.7174.700000113.5
745P54.9Low39.3Very low128 Ų128136.2 Ų136.283%0.83177%0.766SS**  -104.1140.6-115.834.7-37000115.9
746R32.1Very low41.2Very low256 Ų256131.2 Ų131.297%0.96674%0.743SS**  trans-166.5134.8156.5-99.3161.9-179.3174.4-1105.8
747G29Very low43.3Very low78 Ų78135 Ų13580%0.80474%0.736SS**  cis139.9133.44.100000109.2
748G31.4Very low45.7Very low78 Ų78131.3 Ų131.380%0.80472%0.717SS**  trans90.1150.3-179.300000115
749H44.3Very low48.1Very low183 Ų183123.8 Ų123.885%0.84770%0.701SS**  trans-66.8163172.9-54.3-109.9000111.2
750N37.9Very low50.7Low146 Ų146123.1 Ų123.178%0.78168%0.682SS**  trans-174.1166.6135-98.8-44.7000112.8
751N46.7Very low53.4Low137 Ų137111.5 Ų111.573%0.73364%0.638SS**  trans-50.2148.3-174.2-83.1-22.6000115.9N753N751-N753 PolarHBondContact O-N 3.2Å
752M55.3Low56.3Low152 Ų152117.2 Ų117.275%0.74964%0.64SS**THydrogen-bonded Turntrans-65.7-3.4176.2-113.2-66.3-171.900115.2M755M752-M755 WeakPolarHBondContact O-CE 3.34Å; M752-M755 HydrophobicContact SD-CE 4.46Å
753N57.3Low58.8Low133 Ų133110.9 Ų110.971%0.71162%0.621SS**THydrogen-bonded Turntrans-109-12.6-167.9-65.553.2000114.4N751N751-N753 PolarHBondContact O-N 3.2Å
754D63.6Low61.6Low73 Ų73109 Ų10939%0.3959%0.59SS.*  trans-94.3100.6174.7175.223000110.8S756D754-S756 VanDerWaalsContact CG-OG 3.32Å; D754-S756 WeakPolarHBondContact OD1-CB 3.42Å; D754-S756 PolarHBondContact OD1-N 3.16Å; D754-S756 PolarHBondContact OD1-OG 3.01Å; D754-S756 PolarHBondContact OD2-OG 3.46Å
755M72.8Confident64.2Low22 Ų22111.8 Ų111.811%0.10859%0.585CS.*  trans-91.30.2178.6-63.8-69.5154.500113.4M752 K757 R758 Y779 N784M752-M755 WeakPolarHBondContact O-CE 3.34Å; M752-M755 HydrophobicContact SD-CE 4.46Å; M755-K757 PolarHBondContact O-N 2.94Å; M755-R758 WeakPolarHBondContact O-CB 3.37Å; M755-R758 PolarHBondContact O-N 3.02Å; M755-R758 PolarHBondContact SD-NE 2.95Å; M755-R758 PolarHBondContact SD-NH1 3.34Å; M755-Y779 HydrophobicContact CB-CD2 3.88Å; M755-N784 HydrophobicContact CB-CB 4.23Å; M755-N784 WeakPolarHBondContact CB-O 3.41Å; M755-N784 HydrophobicContact CG-CB 4.2Å; M755-N784 PolarHBondContact N-O 3.17Å
756S70.9Confident65.3Low46 Ų46112.1 Ų112.132%0.32258%0.577SS.*THydrogen-bonded Turntrans-57.8-23.7-172.164.40000114.8D754 R758D754-S756 VanDerWaalsContact CG-OG 3.32Å; D754-S756 WeakPolarHBondContact OD1-CB 3.42Å; D754-S756 PolarHBondContact OD1-N 3.16Å; D754-S756 PolarHBondContact OD1-OG 3.01Å; D754-S756 PolarHBondContact OD2-OG 3.46Å; S756-R758 VanDerWaalsContact C-N 3.31Å
757K73.3Confident67.6Low163 Ų163107.7 Ų107.771%0.70957%0.565SS**THydrogen-bonded Turntrans-84-1.4179.2-59.1174-170.5169.40113.6M755M755-K757 PolarHBondContact O-N 2.94Å
758R80.4Confident70Confident106 Ų106106.9 Ų106.940%0.456%0.556SS.*SBendtrans-99.7152.4177.8-59.2-168.9-174.7179.67.1111.1M755 S756 A777 Y779M755-R758 WeakPolarHBondContact O-CB 3.37Å; M755-R758 PolarHBondContact O-N 3.02Å; M755-R758 PolarHBondContact SD-NE 2.95Å; M755-R758 PolarHBondContact SD-NH1 3.34Å; S756-R758 VanDerWaalsContact C-N 3.31Å; R758-A777 WeakPolarHBondContact CD-O 3.25Å; R758-A777 PolarHBondContact NH1-O 3.19Å; R758-Y779 WeakPolarHBondContact O-CB 3.43Å
759P83.9Confident72.3Confident94 Ų94106.6 Ų106.661%0.6154%0.542SS*.PPolyproline II helixtrans-59.9143.7174.822.4-31.4000112F778 Y779P759-F778 HydrophobicContact CG-CD1 4.13Å; P759-F778 HydrophobicContact CG-CE1 4.37Å; P759-Y779 PolarHBondContact O-N 3.46Å
760V84.8Confident74.3Confident63 Ų6398.5 Ų98.538%0.38251%0.506SS..BIsolated β-bridgetrans-64.6138.9-178.4177.50000111.3R762 M765 Y779 P781V760-R762 PolarHBondContact O-N 3.22Å; V760-R762 VanDerWaalsContact O-N 3.15Å; V760-M765 HydrophobicContact CG1-CB 4.18Å; V760-M765 HydrophobicContact CG1-SD 4.11Å; V760-Y779 WeakPolarHBondContact CA-O 3.29Å; V760-Y779 HydrophobicContact CG2-CD1 4.04Å; V760-P781 HydrophobicContact CG1-CG 4.34Å; V760-P781 HydrophobicContact CG2-CG 4.33Å
761C88.4Confident76.4Confident4 Ų4102.7 Ų102.73%0.02751%0.511CS..  trans-66.1112.1176.3-175.20000111.2H763 F764 M765 C770 F778 Y779 H780C761-H763 PolarHBondContact O-N 3.15Å; C761-H763 VanDerWaalsContact O-N 3.16Å; C761-F764 HydrophobicContact CB-CB 3.91Å; C761-F764 PolarHBondContact O-N 3.47Å; C761-M765 PolarHBondContact O-N 3.45Å; C761-C770 VanDerWaalsContact SG-SG 3.61Å; C761-F778 HydrophobicContact CB-CB 3.71Å; C761-Y779 PolarHBondContact N-O 2.93Å; C761-H780 WeakPolarHBondContact CB-CD2 3.17Å; C761-H780 WeakPolarHBondContact CB-NE2 2.91Å; C761-H780 PolarHBondContact SG-NE2 3.2Å
762R87.8Confident78Confident185 Ų185103.5 Ų103.570%0.69851%0.505SS*.Hα-helixtrans-57.7-30.4179.4-168.8179.8-177.5-146.50.6113.2V760 M766V760-R762 PolarHBondContact O-N 3.22Å; V760-R762 VanDerWaalsContact O-N 3.15Å; R762-M766 HydrophobicContact CG-CG 4.46Å; R762-M766 VanDerWaalsContact O-CB 3.29Å; R762-M766 WeakPolarHBondContact O-CB 3.26Å; R762-M766 WeakPolarHBondContact O-CG 3.44Å; R762-M766 PolarHBondContact O-N 2.93Å
763H85.9Confident79Confident129 Ų129103 Ų10360%0.59750%0.501SS*.Hα-helixtrans-71.8-47.9177.5-67.9107.2000111.9C761 M765 M766 K767 S769C761-H763 PolarHBondContact O-N 3.15Å; C761-H763 VanDerWaalsContact O-N 3.16Å; H763-M765 VanDerWaalsContact C-N 3.35Å; H763-M765 PolarHBondContact O-N 2.81Å; H763-M766 PolarHBondContact O-N 3.01Å; H763-K767 PolarHBondContact O-N 3.42Å; H763-S769 CarbonylContact C-O 3.4Å
764F85.9Confident79.6Confident42 Ų42100 Ų10018%0.18449%0.491CS..Hα-helixtrans-58.3-47.1175.5-173-104000111.4C761 M766 K767 G768 S769 C770 H780 V783C761-F764 HydrophobicContact CB-CB 3.91Å; C761-F764 PolarHBondContact O-N 3.47Å; F764-M766 VanDerWaalsContact C-N 3.25Å; F764-M766 PolarHBondContact O-N 3.05Å; F764-K767 PolarHBondContact O-N 3.18Å; F764-G768 WeakPolarHBondContact CE2-O 3.42Å; F764-G768 VanDerWaalsContact O-CA 3.29Å; F764-G768 WeakPolarHBondContact O-CA 3.34Å; F764-G768 PolarHBondContact O-N 3.47Å; F764-S769 WeakPolarHBondContact CA-O 3.29Å; F764-C770 HydrophobicContact CB-CB 4.25Å; F764-H780 WeakPolarHBondContact CB-CD2 3.29Å; F764-H780 HydrophobicContact CD1-CB 4.13Å; F764-H780 AromaticContact CD1-CD2 3.85Å; F764-H780 HydrophobicContact CD2-CB 4.45Å; F764-H780 AromaticContact CD2-CD2 3.85Å; F764-H780 HydrophobicContact CE1-CB 4.08Å; F764-H780 HydrophobicContact CE2-CB 4.41Å; F764-H780 HydrophobicContact CG-CB 4.33Å; F764-H780 AromaticContact CG-CD2 3.42Å; F764-H780 VanDerWaalsContact CG-CD2 3.42Å; F764-H780 WeakPolarHBondContact CG-CD2 3.43Å; F764-H780 AromaticContact CG-CG 3.92Å; F764-H780 AromaticContact CG-NE2 3.91Å; F764-H780 HydrophobicContact CZ-CB 4.23Å; F764-V783 HydrophobicContact CE2-CG2 4.13Å; F764-V783 HydrophobicContact CZ-CG2 3.72Å
765M82.4Confident80.2Confident130 Ų130103.7 Ų103.764%0.6451%0.51SS*.Hα-helixtrans-65.6-23.6179.3-166.217472.500114V760 C761 H763V760-M765 HydrophobicContact CG1-CB 4.18Å; V760-M765 HydrophobicContact CG1-SD 4.11Å; C761-M765 PolarHBondContact O-N 3.45Å; H763-M765 VanDerWaalsContact C-N 3.35Å; H763-M765 PolarHBondContact O-N 2.81Å
766M78.1Confident80.6Confident134 Ų134103.1 Ų103.166%0.6651%0.508SS*.Hα-helixtrans-96.9-20179.5-74.7-73-16800114.4R762 H763 F764R762-M766 HydrophobicContact CG-CG 4.46Å; R762-M766 VanDerWaalsContact O-CB 3.29Å; R762-M766 WeakPolarHBondContact O-CB 3.26Å; R762-M766 WeakPolarHBondContact O-CG 3.44Å; R762-M766 PolarHBondContact O-N 2.93Å; H763-M766 PolarHBondContact O-N 3.01Å; F764-M766 VanDerWaalsContact C-N 3.25Å; F764-M766 PolarHBondContact O-N 3.05Å
767K80.4Confident81.2Confident164 Ų164103.8 Ų103.871%0.71352%0.517SS*.Hα-helixtrans-131.81.8-172.8-66.4-166.4172.2-168.20114.9H763 F764 S769H763-K767 PolarHBondContact O-N 3.42Å; F764-K767 PolarHBondContact O-N 3.18Å; K767-S769 PolarHBondContact O-N 3.47Å; K767-S769 PolarHBondContact O-OG 3.41Å
768G78.1Confident81.7Confident60 Ų60101.2 Ų101.262%0.61951%0.506SS*.SBendtrans67.4-5.7-17100000114.7F764F764-G768 WeakPolarHBondContact CE2-O 3.42Å; F764-G768 VanDerWaalsContact O-CA 3.29Å; F764-G768 WeakPolarHBondContact O-CA 3.34Å; F764-G768 PolarHBondContact O-N 3.47Å
769S79.8Confident82Confident73 Ų7397 Ų9751%0.5149%0.49SS..  trans-144.9156-174.356.90000111.3H763 F764 K767H763-S769 CarbonylContact C-O 3.4Å; F764-S769 WeakPolarHBondContact CA-O 3.29Å; K767-S769 PolarHBondContact O-N 3.47Å; K767-S769 PolarHBondContact O-OG 3.41Å
770C85.9Confident82.2Confident13 Ų1392.7 Ų92.79%0.08846%0.461CS..  trans-136.2136.7174.7-176.90000109.2C761 F764 Y772 E773 H780C761-C770 VanDerWaalsContact SG-SG 3.61Å; F764-C770 HydrophobicContact CB-CB 4.25Å; C770-Y772 PolarHBondContact O-N 3.04Å; C770-E773 WeakPolarHBondContact O-CG 3.43Å; C770-E773 PolarHBondContact O-N 3.06Å; C770-H780 WeakPolarHBondContact CB-NE2 3.42Å
771R83.4Confident82Confident234 Ų23491 Ų9188%0.88345%0.452SS*.THydrogen-bonded Turntrans-57.3-13.5179.8-175.5171.7178.8173.41.5114.9
772Y79.6Confident81.1Confident153 Ų15393.1 Ų93.160%0.648%0.475SS*.THydrogen-bonded Turntrans-108.4-1.9179.2-57.8-76.8000113.7C770 S774 N775 C776C770-Y772 PolarHBondContact O-N 3.04Å; Y772-S774 PolarHBondContact O-N 2.84Å; Y772-N775 CarbonylContact O-C 3.56Å; Y772-N775 WeakPolarHBondContact O-CA 3.22Å; Y772-N775 WeakPolarHBondContact O-CB 3.26Å; Y772-N775 PolarHBondContact O-N 3.4Å; Y772-C776 PolarHBondContact O-N 2.99Å
773E76.8Confident80.4Confident141 Ų14188.4 Ų88.466%0.65947%0.466SS*.G310 helixtrans43.9-124.8172.2-59.4-178.1-179.600113.8C770 N775 C776 H780C770-E773 WeakPolarHBondContact O-CG 3.43Å; C770-E773 PolarHBondContact O-N 3.06Å; E773-N775 PolarHBondContact O-N 2.97Å; E773-C776 PolarHBondContact O-N 3.02Å; E773-H780 PolarHBondContact O-CE1 3.34Å; E773-H780 PolarHBondContact O-ND1 3.36Å
774S70.2Confident79.5Confident72 Ų7283.4 Ų83.450%0.50344%0.444SS..G310 helixtrans-65.5-24.517853.50000113.6Y772 C776 N784Y772-S774 PolarHBondContact O-N 2.84Å; S774-C776 VanDerWaalsContact C-N 3.3Å; S774-C776 PolarHBondContact O-N 3.37Å; S774-N784 PolarHBondContact O-ND2 3.27Å
775N74.6Confident78.5Confident149 Ų14982.6 Ų82.680%0.79745%0.447SS*.G310 helixtrans-867.7179.1-67.5-43.5000113.7Y772 E773 A777Y772-N775 CarbonylContact O-C 3.56Å; Y772-N775 WeakPolarHBondContact O-CA 3.22Å; Y772-N775 WeakPolarHBondContact O-CB 3.26Å; Y772-N775 PolarHBondContact O-N 3.4Å; E773-N775 PolarHBondContact O-N 2.97Å; N775-A777 PolarHBondContact O-N 3.2Å
776C81.3Confident77.3Confident11 Ų1180.2 Ų80.27%0.07444%0.441CS..  trans-69.6131.3176.4-161.20000111.5Y772 E773 S774 F778 H780Y772-C776 PolarHBondContact O-N 2.99Å; E773-C776 PolarHBondContact O-N 3.02Å; S774-C776 VanDerWaalsContact C-N 3.3Å; S774-C776 PolarHBondContact O-N 3.37Å; C776-F778 PolarHBondContact O-N 3.26Å; C776-H780 WeakPolarHBondContact CB-CE1 3.39Å
777A83.6Confident76.3Confident60 Ų6079 Ų7950%0.49644%0.444SS..SBendtrans-67.5-13.7177.800000114.1R758 N775R758-A777 WeakPolarHBondContact CD-O 3.25Å; R758-A777 PolarHBondContact NH1-O 3.19Å; N775-A777 PolarHBondContact O-N 3.2Å
778F84.6Confident75Confident109 Ų10976.5 Ų76.548%0.47844%0.438SS..SBendtrans-103.6155.3-179.3-63.1-83.6000111.1P759 C761 C776P759-F778 HydrophobicContact CG-CD1 4.13Å; P759-F778 HydrophobicContact CG-CE1 4.37Å; C761-F778 HydrophobicContact CB-CB 3.71Å; C776-F778 PolarHBondContact O-N 3.26Å
779Y86.2Confident73.6Confident18 Ų1878.6 Ų78.67%0.07144%0.44CS..BIsolated β-bridgetrans-71.7134.5-172.6-178.8-139.2000113M755 R758 P759 V760 C761 P781 P786M755-Y779 HydrophobicContact CB-CD2 3.88Å; R758-Y779 WeakPolarHBondContact O-CB 3.43Å; P759-Y779 PolarHBondContact O-N 3.46Å; V760-Y779 WeakPolarHBondContact CA-O 3.29Å; V760-Y779 HydrophobicContact CG2-CD1 4.04Å; C761-Y779 PolarHBondContact N-O 2.93Å; Y779-P781 HydrophobicContact CD1-CG 4.12Å; Y779-P781 HydrophobicContact CE1-CB 4.2Å; Y779-P781 HydrophobicContact CE1-CG 3.85Å; Y779-P786 PolarHBondContact OH-O 3.22Å; Y779-P786 VanDerWaalsContact OH-O 3.07Å
780H87.9Confident72Confident2 Ų280.9 Ų80.91%0.00945%0.453CS..  trans-113.4100.6170.2-66.8161.2000109.4C761 F764 C770 E773 C776 G782 V783 N784C761-H780 WeakPolarHBondContact CB-CD2 3.17Å; C761-H780 WeakPolarHBondContact CB-NE2 2.91Å; C761-H780 PolarHBondContact SG-NE2 3.2Å; F764-H780 WeakPolarHBondContact CB-CD2 3.29Å; F764-H780 HydrophobicContact CD1-CB 4.13Å; F764-H780 AromaticContact CD1-CD2 3.85Å; F764-H780 HydrophobicContact CD2-CB 4.45Å; F764-H780 AromaticContact CD2-CD2 3.85Å; F764-H780 HydrophobicContact CE1-CB 4.08Å; F764-H780 HydrophobicContact CE2-CB 4.41Å; F764-H780 HydrophobicContact CG-CB 4.33Å; F764-H780 AromaticContact CG-CD2 3.42Å; F764-H780 VanDerWaalsContact CG-CD2 3.42Å; F764-H780 WeakPolarHBondContact CG-CD2 3.43Å; F764-H780 AromaticContact CG-CG 3.92Å; F764-H780 AromaticContact CG-NE2 3.91Å; F764-H780 HydrophobicContact CZ-CB 4.23Å; C770-H780 WeakPolarHBondContact CB-NE2 3.42Å; E773-H780 PolarHBondContact O-CE1 3.34Å; E773-H780 PolarHBondContact O-ND1 3.36Å; C776-H780 WeakPolarHBondContact CB-CE1 3.39Å; H780-G782 PolarHBondContact O-N 3.22Å; H780-V783 HydrophobicContact CB-CB 3.93Å; H780-V783 HydrophobicContact CB-CG2 4.43Å; H780-V783 PolarHBondContact O-N 2.93Å; H780-V783 VanDerWaalsContact O-N 3.12Å; H780-N784 HydrophobicContact CB-CB 4.43Å; H780-N784 PolarHBondContact O-N 3.3Å
781P80.5Confident70.3Confident28 Ų2887.6 Ų87.618%0.18249%0.488CS..THydrogen-bonded Turntrans-58.1132.1178.7-23.332.9000112V760 Y779 V783 L788V760-P781 HydrophobicContact CG1-CG 4.34Å; V760-P781 HydrophobicContact CG2-CG 4.33Å; Y779-P781 HydrophobicContact CD1-CG 4.12Å; Y779-P781 HydrophobicContact CE1-CB 4.2Å; Y779-P781 HydrophobicContact CE1-CG 3.85Å; P781-V783 PolarHBondContact O-N 2.74Å; P781-L788 HydrophobicContact CB-CD1 3.89Å; P781-L788 HydrophobicContact CB-CD2 4.2Å; P781-L788 HydrophobicContact CB-CG 3.86Å; P781-L788 HydrophobicContact CG-CD1 4.45Å
782G69.4Low68.2Low49 Ų4985.9 Ų85.951%0.50548%0.483SS..THydrogen-bonded Turntrans74.92.1-177.500000115.9H780H780-G782 PolarHBondContact O-N 3.22Å
783V73.4Confident66.2Low85 Ų8584.7 Ų84.752%0.51549%0.494SS..THydrogen-bonded Turntrans-121.6-52.3175.8-174.80000111.1F764 H780 P781F764-V783 HydrophobicContact CE2-CG2 4.13Å; F764-V783 HydrophobicContact CZ-CG2 3.72Å; H780-V783 HydrophobicContact CB-CB 3.93Å; H780-V783 HydrophobicContact CB-CG2 4.43Å; H780-V783 PolarHBondContact O-N 2.93Å; H780-V783 VanDerWaalsContact O-N 3.12Å; P781-V783 PolarHBondContact O-N 2.74Å
784N68.2Low64.4Low24 Ų2481.6 Ų81.613%0.12849%0.493CS..SBendtrans-110.333.9-178.4-75.28.2000112M755 S774 H780M755-N784 HydrophobicContact CB-CB 4.23Å; M755-N784 WeakPolarHBondContact CB-O 3.41Å; M755-N784 HydrophobicContact CG-CB 4.2Å; M755-N784 PolarHBondContact N-O 3.17Å; S774-N784 PolarHBondContact O-ND2 3.27Å; H780-N784 HydrophobicContact CB-CB 4.43Å; H780-N784 PolarHBondContact O-N 3.3Å
785G64.3Low62.8Low25 Ų2586.1 Ų86.126%0.25851%0.511SS..SBendtrans163.2177.7-177.700000112.2
786P56.7Low61Low80 Ų8086.9 Ų86.952%0.51951%0.51SS..PPolyproline II helixtrans-60.2148.1-172.323.8-33.8000113Y779Y779-P786 PolarHBondContact OH-O 3.22Å; Y779-P786 VanDerWaalsContact OH-O 3.07Å
787P57.5Low58.8Low109 Ų10995.6 Ų95.671%0.70855%0.549SS*.PPolyproline II helixtrans-64.2153.1178.728.3-35.3000111.7
788L53.6Low56.6Low112 Ų11298.6 Ų98.659%0.58656%0.557SS**PPolyproline II helixtrans-73146176.2-64.5174.2000111P781P781-L788 HydrophobicContact CB-CD1 3.89Å; P781-L788 HydrophobicContact CB-CD2 4.2Å; P781-L788 HydrophobicContact CB-CG 3.86Å; P781-L788 HydrophobicContact CG-CD1 4.45Å
789P48Very low54.3Low104 Ų104101 Ų10168%0.67557%0.57SS**PPolyproline II helixtrans-62.9153167.428.4-34.4000110.7N791P789-N791 PolarHBondContact O-N 3.48Å
790P47.3Very low51.6Low121 Ų121109.8 Ų109.879%0.78661%0.611SS**SBendtrans-71.86.7-15526.9-37000117.4Y792P790-Y792 VanDerWaalsContact C-N 3.35Å; P790-Y792 PolarHBondContact O-N 3.49Å
791N48.9Very low49.2Very low154 Ų154113.5 Ų113.582%0.82464%0.642SS**  trans-93.945.9-173.3-73.6-2.1000113.9P789P789-N791 PolarHBondContact O-N 3.48Å
792Y38.7Very low47Very low197 Ų197120.1 Ų120.177%0.77367%0.671SS**SBendtrans-136.2134.4160.5-100.1-90.2000109.4P790 A794P790-Y792 VanDerWaalsContact C-N 3.35Å; P790-Y792 PolarHBondContact O-N 3.49Å; Y792-A794 PolarHBondContact O-N 2.69Å
793P39.4Very low45.5Very low128 Ų128126.1 Ų126.183%0.83169%0.685SS**  trans-68.1103.7179.327.6-33.6000110N795P793-N795 PolarHBondContact O-N 3.33Å
794A39Very low43.7Very low77 Ų77125.3 Ų125.364%0.63669%0.694SS**  trans-65.2123.4171.200000109.2Y792 Q796Y792-A794 PolarHBondContact O-N 2.69Å; A794-Q796 VanDerWaalsContact C-N 3.3Å; A794-Q796 HydrophobicContact CB-CG 4.43Å; A794-Q796 PolarHBondContact O-N 3.12Å
795N35.6Very low42.3Very low166 Ų166137.2 Ų137.289%0.88875%0.748SS**  trans-73.789.9170.3-165.52.7000108.2P793 H797P793-N795 PolarHBondContact O-N 3.33Å; N795-H797 PolarHBondContact O-N 3.46Å
796Q37.4Very low41.2Very low165 Ų165142.8 Ų142.877%0.77177%0.772SS**  trans-71.4101.8-172.2-68.9-172.57.500111.3A794A794-Q796 VanDerWaalsContact C-N 3.3Å; A794-Q796 HydrophobicContact CB-CG 4.43Å; A794-Q796 PolarHBondContact O-N 3.12Å
797H35.1Very low40.4Very low194 Ų194146.1 Ų146.190%0.89879%0.786SS**  trans-134.277.6147.6-113.756.9000109N795N795-H797 PolarHBondContact O-N 3.46Å
798N36.9Very low39.4Very low124 Ų124148.2 Ų148.266%0.66379%0.79SS**  trans-91.2139.8171-162.836.5000110
799Q36.8Very low38.6Very low160 Ų160150.3 Ų150.375%0.74880%0.802SS**  trans9.3119.3152-61.4155.810.600117.3
800H29.6Very low38Very low202 Ų202153.2 Ų153.294%0.93581%0.81SS**  trans-80.9151.8146.3-129.679.8000109.2
801A36.6Very low37.4Very low79 Ų79155.3 Ų155.365%0.65381%0.812SS**  trans-125.3153.5-161.400000114.7
802Q35.7Very low36.6Very low168 Ų168155.4 Ų155.479%0.78581%0.811SS**  trans65.7140155.9-77.2-171.7-6.900121.8
803H37.6Very low36.4Very low175 Ų175152.2 Ų152.281%0.8181%0.814SS**  trans57.7128.6150.2-63.5-52000121.1
804G35.8Very low36.1Very low67 Ų67154.3 Ų154.369%0.69181%0.812SS**  trans159.276.9160.700000116.1
805H37.7Very low35.9Very low274 Ų274161.3 Ų161.3100%1.26983%0.828SS**  trans66.70170.8-68.2-76.1000119.1

Retrieved 805 of 805 residues in 1734.4 ms (Link to these results)

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