K7L0J7_SOYBN Loading...

CONSTANS-like zinc finger protein

AlphaFold DB , UniProt , Accession K7L0J7, Species SOYBN (Glycine max, Soybean), Gene COL21, Length 427 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
1M42.8Very low47.9Very low230 Ų230152.7 Ų152.7100%1.13383%0.826SS**  086.60-67.2173.2-178.300109.1
2T40.2Very low47.6Very low124 Ų124144.1 Ų144.176%0.76180%0.799SS**  trans-153.795.2-179.149.80000109.9
3N51.9Low47.9Very low166 Ų166140.2 Ų140.289%0.88880%0.798SS**  trans-150.437.8172.6-100-24.1000111.5
4E52Low48.2Very low183 Ų183147.3 Ų147.386%0.85581%0.805SS**  trans-141.639.9-173.3-64.8-167.2149.400114.9
5M54.6Low49.1Very low191 Ų191145 Ų14594%0.94180%0.798SS**SBendtrans-123.113.6170-88.4-176.5158.900114.6
6K47.1Very low50.6Low207 Ų207139.8 Ų139.890%0.978%0.78SS**SBendtrans-100.36.7176.5-147.1170.4-178.2174.10114.6
7E44.7Very low52.8Low156 Ų156139.6 Ų139.673%0.72976%0.764SS**  trans-117.91.3-174.9-64.4-170.715900114.7S9 A10E7-S9 PolarHBondContact O-N 3.3Å; E7-A10 WeakPolarHBondContact O-CB 3.47Å; E7-A10 PolarHBondContact O-N 3.49Å; E7-A10 VanDerWaalsContact O-N 3.11Å
8A46.1Very low55.1Low87 Ų87134.8 Ų134.872%0.71975%0.747SS**THydrogen-bonded Turntrans-71.6-8.5179.300000114.9A10A8-A10 VanDerWaalsContact C-N 3.34Å
9S52.6Low57.3Low104 Ų104127.7 Ų127.773%0.72771%0.707SS**THydrogen-bonded Turntrans-84.9-3.4170.6-73.20000113.9E7E7-S9 PolarHBondContact O-N 3.3Å
10A50.6Low59.2Low73 Ų73127.3 Ų127.360%0.60370%0.7SS**SBendtrans-94.8-2.7-176.400000114.5E7 A8E7-A10 WeakPolarHBondContact O-CB 3.47Å; E7-A10 PolarHBondContact O-N 3.49Å; E7-A10 VanDerWaalsContact O-N 3.11Å; A8-A10 VanDerWaalsContact C-N 3.34Å
11L44.6Very low60.8Low159 Ų159124.4 Ų124.483%0.83269%0.688SS**  trans-96.28.2-175.3-63.8178.5000115.3A13L11-A13 VanDerWaalsContact C-N 3.31Å; L11-A13 PolarHBondContact O-N 3.37Å
12G44.3Very low63.3Low49 Ų49115.2 Ų115.251%0.50565%0.647SS.*  trans-85.416.8176.700000115.8R14 T15G12-R14 PolarHBondContact O-N 3.45Å; G12-T15 PolarHBondContact O-N 3.38Å
13A50.5Low65.8Low94 Ų94115.5 Ų115.578%0.77764%0.643SS**THydrogen-bonded Turntrans-68.718.3-164.200000116.8L11L11-A13 VanDerWaalsContact C-N 3.31Å; L11-A13 PolarHBondContact O-N 3.37Å
14R52.2Low67.7Low239 Ų239116.9 Ų116.990%0.90264%0.641SS**THydrogen-bonded Turntrans-136.1-25-176.6-45.9-178.4-168.8-91.4-0.4114.3G12G12-R14 PolarHBondContact O-N 3.45Å
15T61.6Low69.7Low113 Ų113111.9 Ų111.969%0.69362%0.623SS**SBendtrans-105117.1177.954.70000108.3G12 R17G12-T15 PolarHBondContact O-N 3.38Å; T15-R17 PolarHBondContact O-N 3.33Å
16A73.7Confident71.6Confident62 Ų62106.3 Ų106.351%0.51259%0.591SS.*PPolyproline II helixtrans-61.7134-179.900000110.9R26A16-R26 HydrophobicContact CB-CG 3.52Å
17R88.2Confident73.9Confident136 Ų13696.6 Ų96.651%0.51355%0.549SS..PPolyproline II helixtrans-56.8141-178.8-72.2-162.7172.1-176.3-2.3111.6T15 A27 F37T15-R17 PolarHBondContact O-N 3.33Å; R17-A27 WeakPolarHBondContact O-CB 3.44Å; R17-A27 PolarHBondContact O-N 3.16Å; R17-F37 VanDerWaalsContact NH1-CZ 3.32Å
18A94.2Very high76.2Confident54 Ų5495 Ų9545%0.44654%0.537SS..BIsolated β-bridgetrans-73.9156.1171.200000110.6E20A18-E20 PolarHBondContact O-N 3.2Å
19C95.9Very high78.6Confident0 Ų093.9 Ų93.90%051%0.514CS..PPolyproline II helixtrans-65.5128.1171.4176.10000109.7S21 C22 L23 V25 F37 C39C19-S21 VanDerWaalsContact C-N 3.31Å; C19-S21 PolarHBondContact O-N 3.31Å; C19-C22 VanDerWaalsContact CB-SG 3.58Å; C19-C22 VanDerWaalsContact SG-SG 3.62Å; C19-L23 WeakPolarHBondContact O-CA 3.35Å; C19-L23 PolarHBondContact O-N 2.99Å; C19-V25 WeakPolarHBondContact CB-O 3.48Å; C19-V25 PolarHBondContact N-O 3.01Å; C19-F37 CarbonylContact C-O 3.49Å; C19-F37 WeakPolarHBondContact CA-O 3.41Å; C19-C39 HydrophobicContact CB-CB 3.8Å; C19-C39 PolarHBondContact SG-N 3.2Å
20E95.5Very high80.7Confident119 Ų11991.8 Ų91.856%0.55649%0.491SS*.THydrogen-bonded Turntrans-73.3-23.6-175.6-158.2143.3-159.500113.1A18 F37A18-E20 PolarHBondContact O-N 3.2Å; E20-F37 PolarHBondContact N-O 2.94Å
21S93.3Very high82.8Confident66 Ų6688.4 Ų88.446%0.46246%0.462SS..THydrogen-bonded Turntrans-82.8-43.8179.1170.20000113.1C19 C42C19-S21 VanDerWaalsContact C-N 3.31Å; C19-S21 PolarHBondContact O-N 3.31Å; S21-C42 VanDerWaalsContact CB-SG 3.6Å; S21-C42 PolarHBondContact OG-SG 2.88Å; S21-C42 VanDerWaalsContact OG-SG 3.42Å
22C95.7Very high85.2Confident38 Ų3883.2 Ų83.226%0.25744%0.442SS..THydrogen-bonded Turntrans-106.4-15.7-176.671.10000114.3C19 K24C19-C22 VanDerWaalsContact CB-SG 3.58Å; C19-C22 VanDerWaalsContact SG-SG 3.62Å; C22-K24 VanDerWaalsContact O-CG 3.3Å; C22-K24 WeakPolarHBondContact O-CG 3.35Å; C22-K24 PolarHBondContact O-N 3.05Å
23L93.4Very high87.6Confident130 Ų13084 Ų8468%0.68144%0.444SS*.SBendtrans55.40.6-179-56174.4000116.1C19C19-L23 WeakPolarHBondContact O-CA 3.35Å; C19-L23 PolarHBondContact O-N 2.99Å
24K91.6Very high89.7Confident194 Ų19483 Ų8384%0.84343%0.425SS*.SBendtrans-99.7-37-174.7-69.5166.6-173.5-175.10113C22C22-K24 VanDerWaalsContact O-CG 3.3Å; C22-K24 WeakPolarHBondContact O-CG 3.35Å; C22-K24 PolarHBondContact O-N 3.05Å
25V93.3Very high91.8Very high79 Ų7976.7 Ų76.748%0.47941%0.41SS..SBendtrans-108.4146.7-171.1-1750000109.6C19 C39C19-V25 WeakPolarHBondContact CB-O 3.48Å; C19-V25 PolarHBondContact N-O 3.01Å; V25-C39 HydrophobicContact CB-CB 3.89Å; V25-C39 HydrophobicContact CG1-CB 3.79Å
26R94Very high93.4Very high73 Ų7372.1 Ų72.128%0.27538%0.383SS..BIsolated β-bridgetrans-59135.1172.3-172.5177.37193.9-8.7111.8A16 T63A16-R26 HydrophobicContact CB-CG 3.52Å; R26-T63 PolarHBondContact NH1-OG1 2.8Å; R26-T63 VanDerWaalsContact NH1-OG1 3.08Å; R26-T63 PolarHBondContact NH2-OG1 3.24Å
27A95Very high94.4Very high3 Ų370.9 Ų70.93%0.02537%0.367CS..  trans-65.1138.6172.700000111R17 F37 L61R17-A27 WeakPolarHBondContact O-CB 3.44Å; R17-A27 PolarHBondContact O-N 3.16Å; A27-F37 HydrophobicContact CB-CB 3.72Å; A27-L61 HydrophobicContact CB-CD1 3.82Å
28R94.5Very high94.8Very high122 Ų12264.8 Ų64.846%0.4634%0.344SS..  trans-120.5-20.7177.4-75.1-176.8159.4-114.61.1112.4L38 L61R28-L38 PolarHBondContact N-O 3.41Å; R28-L61 PolarHBondContact O-N 3.18Å
29W95.5Very high94.9Very high64 Ų6462.7 Ų62.724%0.24233%0.326CS..EExtended strand (participates in β ladder)trans-128.6146.4-176.1-62.6100.6000110.1F37 L38 H40 D43 R58 V59 K60W29-F37 CarbonylContact O-C 3.47Å; W29-F37 WeakPolarHBondContact O-CA 3.46Å; W29-L38 PolarHBondContact N-O 3.12Å; W29-L38 PolarHBondContact O-N 2.84Å; W29-H40 AromaticContact NE1-ND1 3.79Å; W29-D43 HydrophobicContact CB-CB 4.41Å; W29-D43 HydrophobicContact CG-CB 4.27Å; W29-R58 HydrophobicContact CE3-CB 4.15Å; W29-V59 WeakPolarHBondContact CA-O 3.41Å; W29-K60 HydrophobicContact CE3-CB 4.1Å; W29-K60 HydrophobicContact CH2-CB 4.31Å; W29-K60 HydrophobicContact CZ3-CB 3.85Å; W29-K60 HydrophobicContact CZ3-CG 4.46Å
30Y96.4Very high94.8Very high61 Ų6167.6 Ų67.624%0.23935%0.349CS..EExtended strand (participates in β ladder)trans-117.4126.4166.8172.1-105.9000108.4A32 D35 A36 F37 R58 V59Y30-A32 HydrophobicContact CE1-CB 3.99Å; Y30-D35 WeakPolarHBondContact CE2-OD1 3.43Å; Y30-D35 PolarHBondContact OH-OD1 2.98Å; Y30-A36 WeakPolarHBondContact CA-O 3.38Å; Y30-F37 HydrophobicContact CD2-CD1 4.2Å; Y30-F37 HydrophobicContact CD2-CD2 4.25Å; Y30-F37 AromaticContact CD2-CE1 3.83Å; Y30-F37 HydrophobicContact CD2-CE1 3.83Å; Y30-F37 AromaticContact CD2-CE2 3.85Å; Y30-F37 HydrophobicContact CD2-CE2 3.85Å; Y30-F37 HydrophobicContact CD2-CG 4.39Å; Y30-F37 AromaticContact CD2-CZ 3.63Å; Y30-F37 HydrophobicContact CD2-CZ 3.63Å; Y30-F37 HydrophobicContact CE2-CE2 4Å; Y30-F37 AromaticContact CE2-CZ 3.99Å; Y30-F37 HydrophobicContact CE2-CZ 3.99Å; Y30-F37 HydrophobicContact CG-CE1 4.38Å; Y30-F37 HydrophobicContact CG-CZ 4.5Å; Y30-R58 CarbonylContact O-C 3.6Å; Y30-R58 WeakPolarHBondContact O-CA 3.47Å; Y30-V59 PolarHBondContact N-O 2.79Å; Y30-V59 PolarHBondContact O-N 3.23Å
31C96.1Very high94.9Very high1 Ų164.3 Ų64.31%0.00735%0.347CS..EExtended strand (participates in β ladder)trans-101.9117.9173.2177.20000108.8A33 D34 D35 A36 H47 H56C31-A33 VanDerWaalsContact C-N 3.33Å; C31-D34 HydrophobicContact CB-CB 4.25Å; C31-D34 PolarHBondContact SG-N 3.4Å; C31-D34 PolarHBondContact SG-OD2 3.02Å; C31-D35 VanDerWaalsContact O-CA 3.32Å; C31-D35 WeakPolarHBondContact O-CA 3.38Å; C31-D35 PolarHBondContact O-N 3.12Å; C31-A36 PolarHBondContact N-O 3.35Å; C31-A36 PolarHBondContact O-N 2.86Å; C31-H47 PolarHBondContact SG-NE2 3.15Å; C31-H56 VanDerWaalsContact SG-CB 3.54Å
32A95.4Very high95Very high50 Ų5061.6 Ų61.641%0.41333%0.328SS..THydrogen-bonded Turntrans-71.8-27.8-178.400000113Y30 E57Y30-A32 HydrophobicContact CE1-CB 3.99Å; A32-E57 PolarHBondContact N-O 2.86Å; A32-E57 VanDerWaalsContact N-O 3.16Å
33A94.8Very high95.1Very high65 Ų6560 Ų6054%0.53732%0.316SS..THydrogen-bonded Turntrans-75.9-36.6179.900000112.6C31 H56C31-A33 VanDerWaalsContact C-N 3.33Å; A33-H56 HydrophobicContact CB-CB 3.91Å; A33-H56 VanDerWaalsContact CB-CG 3.45Å
34D93.5Very high95.2Very high73 Ų7357.2 Ų57.239%0.3930%0.302SS..THydrogen-bonded Turntrans-94.1-5.4178.6-59.5-51.8000112.8C31 A36 H56C31-D34 HydrophobicContact CB-CB 4.25Å; C31-D34 PolarHBondContact SG-N 3.4Å; C31-D34 PolarHBondContact SG-OD2 3.02Å; D34-A36 HydrophobicContact CB-CB 4.11Å; D34-A36 PolarHBondContact O-N 3.43Å; D34-H56 IonicContact OD1-CE1 3.23Å; D34-H56 PolarHBondContact OD1-CE1 2.91Å; D34-H56 IonicContact OD1-ND1 3.22Å; D34-H56 IonicContact OD2-CE1 3.33Å; D34-H56 PolarHBondContact OD2-CE1 3.48Å; D34-H56 IonicContact OD2-ND1 3.62Å; D34-H56 PolarHBondContact OD2-ND1 3.27Å
35D95.5Very high95.4Very high108 Ų10853.6 Ų53.658%0.57829%0.29SS*.THydrogen-bonded Turntrans45.243.4-171-160.724.2000113.4Y30 C31Y30-D35 WeakPolarHBondContact CE2-OD1 3.43Å; Y30-D35 PolarHBondContact OH-OD1 2.98Å; C31-D35 VanDerWaalsContact O-CA 3.32Å; C31-D35 WeakPolarHBondContact O-CA 3.38Å; C31-D35 PolarHBondContact O-N 3.12Å
36A95.2Very high95.5Very high16 Ų1652 Ų5213%0.13228%0.281CS..EExtended strand (participates in β ladder)trans-125.7141.2-168.500000113.1Y30 C31 D34 L38Y30-A36 WeakPolarHBondContact CA-O 3.38Å; C31-A36 PolarHBondContact N-O 3.35Å; C31-A36 PolarHBondContact O-N 2.86Å; D34-A36 HydrophobicContact CB-CB 4.11Å; D34-A36 PolarHBondContact O-N 3.43Å; A36-L38 HydrophobicContact CB-CD2 4.24Å; A36-L38 HydrophobicContact CB-CG 4.35Å
37F96.1Very high95.6Very high37 Ų3749 Ų4916%0.16227%0.269CS..EExtended strand (participates in β ladder)trans-95.7112.2173.4-67.2-93.5000110R17 C19 E20 A27 W29 Y30 L61R17-F37 VanDerWaalsContact NH1-CZ 3.32Å; C19-F37 CarbonylContact C-O 3.49Å; C19-F37 WeakPolarHBondContact CA-O 3.41Å; E20-F37 PolarHBondContact N-O 2.94Å; A27-F37 HydrophobicContact CB-CB 3.72Å; W29-F37 CarbonylContact O-C 3.47Å; W29-F37 WeakPolarHBondContact O-CA 3.46Å; Y30-F37 HydrophobicContact CD2-CD1 4.2Å; Y30-F37 HydrophobicContact CD2-CD2 4.25Å; Y30-F37 AromaticContact CD2-CE1 3.83Å; Y30-F37 HydrophobicContact CD2-CE1 3.83Å; Y30-F37 AromaticContact CD2-CE2 3.85Å; Y30-F37 HydrophobicContact CD2-CE2 3.85Å; Y30-F37 HydrophobicContact CD2-CG 4.39Å; Y30-F37 AromaticContact CD2-CZ 3.63Å; Y30-F37 HydrophobicContact CD2-CZ 3.63Å; Y30-F37 HydrophobicContact CE2-CE2 4Å; Y30-F37 AromaticContact CE2-CZ 3.99Å; Y30-F37 HydrophobicContact CE2-CZ 3.99Å; Y30-F37 HydrophobicContact CG-CE1 4.38Å; Y30-F37 HydrophobicContact CG-CZ 4.5Å; F37-L61 HydrophobicContact CD1-CD1 3.65Å; F37-L61 HydrophobicContact CD1-CD2 4.28Å; F37-L61 HydrophobicContact CE1-CD1 4.26Å; F37-L61 HydrophobicContact CE1-CD2 4.06Å
38L95.6Very high95.6Very high8 Ų853.5 Ų53.54%0.04230%0.301CS..EExtended strand (participates in β ladder)trans-116.2143.8-171.7-58178.7000112.5R28 W29 A36 C42 D43 V46R28-L38 PolarHBondContact N-O 3.41Å; W29-L38 PolarHBondContact N-O 3.12Å; W29-L38 PolarHBondContact O-N 2.84Å; A36-L38 HydrophobicContact CB-CD2 4.24Å; A36-L38 HydrophobicContact CB-CG 4.35Å; L38-C42 HydrophobicContact CB-CB 4.33Å; L38-C42 HydrophobicContact CD2-CB 4.17Å; L38-D43 HydrophobicContact CB-CB 4.16Å; L38-D43 HydrophobicContact CD1-CB 4.49Å; L38-V46 HydrophobicContact CD1-CB 4.34Å; L38-V46 HydrophobicContact CD1-CG2 4.3Å
39C96.2Very high95.5Very high10 Ų1051.7 Ų51.77%0.06831%0.312CS..  trans-75167.6162.372.90000109.9C19 V25 G41 C42 D43C19-C39 HydrophobicContact CB-CB 3.8Å; C19-C39 PolarHBondContact SG-N 3.2Å; V25-C39 HydrophobicContact CB-CB 3.89Å; V25-C39 HydrophobicContact CG1-CB 3.79Å; C39-G41 VanDerWaalsContact C-N 3.32Å; C39-G41 PolarHBondContact O-N 2.84Å; C39-C42 PolarHBondContact O-N 2.85Å; C39-D43 VanDerWaalsContact O-CB 3.32Å; C39-D43 WeakPolarHBondContact O-CB 3.32Å; C39-D43 PolarHBondContact O-N 2.91Å
40H95.4Very high95.3Very high102 Ų10252.6 Ų52.647%0.47232%0.322SS..Hα-helixtrans-58.6-39.8-177.3-174.349.3000113.8W29 D43 N44W29-H40 AromaticContact NE1-ND1 3.79Å; H40-D43 PolarHBondContact O-N 3.41Å; H40-N44 PolarHBondContact CE1-ND2 2.98Å; H40-N44 PolarHBondContact NE2-ND2 3.14Å; H40-N44 VanDerWaalsContact O-CG 3.26Å; H40-N44 PolarHBondContact O-N 3.44Å; H40-N44 VanDerWaalsContact O-N 3.08Å; H40-N44 PolarHBondContact O-ND2 3.18Å
41G96.4Very high95.2Very high50 Ų5056.7 Ų56.752%0.51534%0.343SS..Hα-helixtrans-66.8-45.4178.600000113C39 N44 M45C39-G41 VanDerWaalsContact C-N 3.32Å; C39-G41 PolarHBondContact O-N 2.84Å; G41-N44 PolarHBondContact O-N 3.23Å; G41-M45 WeakPolarHBondContact O-CB 3.3Å; G41-M45 PolarHBondContact O-N 3.28Å
42C96.6Very high95.1Very high10 Ų1062.1 Ų62.17%0.06837%0.371CS..Hα-helixtrans-67-37.6176.4-660000111.9S21 L38 C39 M45 V46S21-C42 VanDerWaalsContact CB-SG 3.6Å; S21-C42 PolarHBondContact OG-SG 2.88Å; S21-C42 VanDerWaalsContact OG-SG 3.42Å; L38-C42 HydrophobicContact CB-CB 4.33Å; L38-C42 HydrophobicContact CD2-CB 4.17Å; C39-C42 PolarHBondContact O-N 2.85Å; C42-M45 PolarHBondContact O-N 3.39Å; C42-V46 WeakPolarHBondContact O-CB 3.08Å; C42-V46 VanDerWaalsContact O-CG2 3.31Å; C42-V46 WeakPolarHBondContact O-CG2 3.43Å; C42-V46 PolarHBondContact O-N 3.21Å
43D96.5Very high95Very high3 Ų360.3 Ų60.32%0.01636%0.357CS..Hα-helixtrans-58.4-49.5175.3-176.672000111.2W29 L38 C39 H40 M45 V46 H47 R58W29-D43 HydrophobicContact CB-CB 4.41Å; W29-D43 HydrophobicContact CG-CB 4.27Å; L38-D43 HydrophobicContact CB-CB 4.16Å; L38-D43 HydrophobicContact CD1-CB 4.49Å; C39-D43 VanDerWaalsContact O-CB 3.32Å; C39-D43 WeakPolarHBondContact O-CB 3.32Å; C39-D43 PolarHBondContact O-N 2.91Å; H40-D43 PolarHBondContact O-N 3.41Å; D43-M45 PolarHBondContact O-N 3.41Å; D43-V46 PolarHBondContact O-N 2.83Å; D43-H47 WeakPolarHBondContact O-CB 3.45Å; D43-H47 PolarHBondContact O-N 3.3Å; D43-H47 PolarHBondContact O-ND1 3.25Å; D43-H47 IonicContact OD1-CE1 3.45Å; D43-H47 PolarHBondContact OD1-CE1 2.99Å; D43-H47 VanDerWaalsContact OD1-CE1 3.23Å; D43-H47 IonicContact OD1-ND1 2.91Å; D43-H47 PolarHBondContact OD1-ND1 3.03Å; D43-R58 WeakPolarHBondContact OD1-CD 3.23Å; D43-R58 IonicContact OD1-NH1 3.84Å; D43-R58 IonicContact OD2-CZ 3.84Å; D43-R58 IonicContact OD2-NH1 2.78Å; D43-R58 PolarHBondContact OD2-NH1 2.96Å
44N95.5Very high95Very high72 Ų7260 Ų6039%0.38535%0.351SS..Hα-helixtrans-60.9-47.5177.5-67.3-16.4000111.1H40 G41 V46 H47 S48H40-N44 PolarHBondContact CE1-ND2 2.98Å; H40-N44 PolarHBondContact NE2-ND2 3.14Å; H40-N44 VanDerWaalsContact O-CG 3.26Å; H40-N44 PolarHBondContact O-N 3.44Å; H40-N44 VanDerWaalsContact O-N 3.08Å; H40-N44 PolarHBondContact O-ND2 3.18Å; G41-N44 PolarHBondContact O-N 3.23Å; N44-V46 PolarHBondContact O-N 3.23Å; N44-H47 PolarHBondContact O-N 2.98Å; N44-S48 WeakPolarHBondContact O-CB 3.43Å; N44-S48 PolarHBondContact O-N 2.99Å; N44-S48 PolarHBondContact O-OG 2.86Å
45M95.8Very high95.1Very high118 Ų11865.7 Ų65.758%0.58137%0.366SS*.Hα-helixtrans-62.5-40.3-178.1-173.9173.562.200113.1G41 C42 D43 A49G41-M45 WeakPolarHBondContact O-CB 3.3Å; G41-M45 PolarHBondContact O-N 3.28Å; C42-M45 PolarHBondContact O-N 3.39Å; D43-M45 PolarHBondContact O-N 3.41Å; M45-A49 WeakPolarHBondContact O-CB 3.41Å; M45-A49 PolarHBondContact O-N 3.4Å
46V95.2Very high95.1Very high47 Ų4762.8 Ų62.829%0.28535%0.349SS..Hα-helixtrans-72.1-46.8178.4172.90000110.8L38 C42 D43 N44 A53L38-V46 HydrophobicContact CD1-CB 4.34Å; L38-V46 HydrophobicContact CD1-CG2 4.3Å; C42-V46 WeakPolarHBondContact O-CB 3.08Å; C42-V46 VanDerWaalsContact O-CG2 3.31Å; C42-V46 WeakPolarHBondContact O-CG2 3.43Å; C42-V46 PolarHBondContact O-N 3.21Å; D43-V46 PolarHBondContact O-N 2.83Å; N44-V46 PolarHBondContact O-N 3.23Å; V46-A53 VanDerWaalsContact O-CB 3.3Å; V46-A53 WeakPolarHBondContact O-CB 3.3Å
47H96.2Very high95.1Very high8 Ų867 Ų674%0.03737%0.366CS..Hα-helixtrans-83.7-13.7-173.6-62.579.7000113.4C31 D43 N44 A53 S54 R58C31-H47 PolarHBondContact SG-NE2 3.15Å; D43-H47 WeakPolarHBondContact O-CB 3.45Å; D43-H47 PolarHBondContact O-N 3.3Å; D43-H47 PolarHBondContact O-ND1 3.25Å; D43-H47 IonicContact OD1-CE1 3.45Å; D43-H47 PolarHBondContact OD1-CE1 2.99Å; D43-H47 VanDerWaalsContact OD1-CE1 3.23Å; D43-H47 IonicContact OD1-ND1 2.91Å; D43-H47 PolarHBondContact OD1-ND1 3.03Å; N44-H47 PolarHBondContact O-N 2.98Å; H47-A53 PolarHBondContact CD2-O 3.34Å; H47-S54 WeakPolarHBondContact O-CA 3.37Å; H47-S54 WeakPolarHBondContact O-CB 3.41Å; H47-S54 PolarHBondContact O-N 3.4Å; H47-R58 VanDerWaalsContact CD2-CD 3.49Å; H47-R58 WeakPolarHBondContact CD2-CD 3.47Å; H47-R58 WeakPolarHBondContact NE2-CD 3.11Å; H47-R58 WeakPolarHBondContact NE2-CG 3.41Å
48S95.3Very high95Very high98 Ų9869.7 Ų69.769%0.68538%0.375SS*.Hα-helixtrans-89.8-18.7171.674.50000113.5N44 N50N44-S48 WeakPolarHBondContact O-CB 3.43Å; N44-S48 PolarHBondContact O-N 2.99Å; N44-S48 PolarHBondContact O-OG 2.86Å; S48-N50 VanDerWaalsContact C-N 3.31Å; S48-N50 PolarHBondContact O-N 3.12Å
49A93.3Very high95Very high84 Ų8472.7 Ų72.769%0.69439%0.394SS*.SBendtrans-68.5-27.1-174.300000113.6M45M45-A49 WeakPolarHBondContact O-CB 3.41Å; M45-A49 PolarHBondContact O-N 3.4Å
50N90.6Very high94.9Very high84 Ų8478.8 Ų78.845%0.44942%0.419SS..  trans-148.3145.9-177.9-171-10.4000111.4S48 L52 A53 S54S48-N50 VanDerWaalsContact C-N 3.31Å; S48-N50 PolarHBondContact O-N 3.12Å; N50-L52 PolarHBondContact O-N 3.29Å; N50-L52 PolarHBondContact OD1-N 2.93Å; N50-L52 VanDerWaalsContact OD1-N 3.1Å; N50-A53 HydrophobicContact CB-CB 4.28Å; N50-A53 PolarHBondContact O-N 3.18Å; N50-S54 PolarHBondContact O-N 3.43Å
51Q93.6Very high94.8Very high147 Ų14776 Ų7669%0.68741%0.408SS*.THydrogen-bonded Turntrans-60.7-24171.1-64.3-170.74.400113.7S54 R55Q51-S54 PolarHBondContact O-OG 2.98Å; Q51-R55 WeakPolarHBondContact O-CG 3.16Å
52L94.1Very high94.2Very high114 Ų11480.9 Ų80.960%0.59742%0.417SS*.THydrogen-bonded Turntrans-73-47.3172.9-65.7178.4000111.1N50 S54 R55 H56N50-L52 PolarHBondContact O-N 3.29Å; N50-L52 PolarHBondContact OD1-N 2.93Å; N50-L52 VanDerWaalsContact OD1-N 3.1Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 2.9Å; L52-R55 PolarHBondContact O-N 3.36Å; L52-H56 PolarHBondContact O-CD2 3.14Å; L52-H56 VanDerWaalsContact O-CD2 3.3Å
53A93.5Very high93.4Very high13 Ų1382.3 Ų82.311%0.10743%0.426CS..G310 helixtrans-65.3-36.9179.700000111.5V46 H47 N50 R55 H56V46-A53 VanDerWaalsContact O-CB 3.3Å; V46-A53 WeakPolarHBondContact O-CB 3.3Å; H47-A53 PolarHBondContact CD2-O 3.34Å; N50-A53 HydrophobicContact CB-CB 4.28Å; N50-A53 PolarHBondContact O-N 3.18Å; A53-R55 PolarHBondContact O-N 2.86Å; A53-H56 WeakPolarHBondContact O-CB 3.36Å; A53-H56 VanDerWaalsContact O-CG 3.27Å; A53-H56 PolarHBondContact O-N 3.01Å
54S94.8Very high92.2Very high59 Ų5987 Ų8741%0.41347%0.465SS..G310 helixtrans-60.9-20.7178.472.10000114.2H47 N50 Q51 L52H47-S54 WeakPolarHBondContact O-CA 3.37Å; H47-S54 WeakPolarHBondContact O-CB 3.41Å; H47-S54 PolarHBondContact O-N 3.4Å; N50-S54 PolarHBondContact O-N 3.43Å; Q51-S54 PolarHBondContact O-OG 2.98Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 2.9Å
55R95.1Very high91Very high191 Ų19189 Ų8972%0.72148%0.484SS*.G310 helixtrans-89.2-4.3178.1-64.2175.6-176.4-167.81113.7Q51 L52 A53Q51-R55 WeakPolarHBondContact O-CG 3.16Å; L52-R55 PolarHBondContact O-N 3.36Å; A53-R55 PolarHBondContact O-N 2.86Å
56H96.1Very high89.2Confident47 Ų4785.9 Ų85.922%0.21847%0.474CS..SBendtrans-63.1139179.3-65.6-178.3000111C31 A33 D34 L52 A53 R58C31-H56 VanDerWaalsContact SG-CB 3.54Å; A33-H56 HydrophobicContact CB-CB 3.91Å; A33-H56 VanDerWaalsContact CB-CG 3.45Å; D34-H56 IonicContact OD1-CE1 3.23Å; D34-H56 PolarHBondContact OD1-CE1 2.91Å; D34-H56 IonicContact OD1-ND1 3.22Å; D34-H56 IonicContact OD2-CE1 3.33Å; D34-H56 PolarHBondContact OD2-CE1 3.48Å; D34-H56 IonicContact OD2-ND1 3.62Å; D34-H56 PolarHBondContact OD2-ND1 3.27Å; L52-H56 PolarHBondContact O-CD2 3.14Å; L52-H56 VanDerWaalsContact O-CD2 3.3Å; A53-H56 WeakPolarHBondContact O-CB 3.36Å; A53-H56 VanDerWaalsContact O-CG 3.27Å; A53-H56 PolarHBondContact O-N 3.01Å; H56-R58 PolarHBondContact O-N 3.11Å
57E94.6Very high87.5Confident104 Ų10492.8 Ų92.849%0.48650%0.5SS..  trans-70.2123.2173.8-174178178.300109.8A32A32-E57 PolarHBondContact N-O 2.86Å; A32-E57 VanDerWaalsContact N-O 3.16Å
58R94.7Very high85.6Confident95 Ų9596.8 Ų96.836%0.35853%0.525SS..EExtended strand (participates in β ladder)trans-120.6125.1-177.6-70.3178.5-77.1179.9-2.6110.9W29 Y30 D43 H47 H56W29-R58 HydrophobicContact CE3-CB 4.15Å; Y30-R58 CarbonylContact O-C 3.6Å; Y30-R58 WeakPolarHBondContact O-CA 3.47Å; D43-R58 WeakPolarHBondContact OD1-CD 3.23Å; D43-R58 IonicContact OD1-NH1 3.84Å; D43-R58 IonicContact OD2-CZ 3.84Å; D43-R58 IonicContact OD2-NH1 2.78Å; D43-R58 PolarHBondContact OD2-NH1 2.96Å; H47-R58 VanDerWaalsContact CD2-CD 3.49Å; H47-R58 WeakPolarHBondContact CD2-CD 3.47Å; H47-R58 WeakPolarHBondContact NE2-CD 3.11Å; H47-R58 WeakPolarHBondContact NE2-CG 3.41Å; H56-R58 PolarHBondContact O-N 3.11Å
59V95Very high83.6Confident71 Ų7199.3 Ų99.343%0.4353%0.531SS..EExtended strand (participates in β ladder)trans-106.7128.5177.9-177.30000109.5W29 Y30 L61W29-V59 WeakPolarHBondContact CA-O 3.41Å; Y30-V59 PolarHBondContact N-O 2.79Å; Y30-V59 PolarHBondContact O-N 3.23Å; V59-L61 PolarHBondContact O-N 3.49Å
60K95.3Very high81.7Confident137 Ų137104.3 Ų104.360%0.59653%0.533SS*.EExtended strand (participates in β ladder)trans-75.2125.3176.2-171.2175.6-178.6177.50110.2W29W29-K60 HydrophobicContact CE3-CB 4.1Å; W29-K60 HydrophobicContact CH2-CB 4.31Å; W29-K60 HydrophobicContact CZ3-CB 3.85Å; W29-K60 HydrophobicContact CZ3-CG 4.46Å
61L91.9Very high79.8Confident44 Ų44105.6 Ų105.623%0.2355%0.548CS..PPolyproline II helixtrans-77.3131.3178.2-60.1170.9000110.3A27 R28 F37 V59 T63A27-L61 HydrophobicContact CB-CD1 3.82Å; R28-L61 PolarHBondContact O-N 3.18Å; F37-L61 HydrophobicContact CD1-CD1 3.65Å; F37-L61 HydrophobicContact CD1-CD2 4.28Å; F37-L61 HydrophobicContact CE1-CD1 4.26Å; F37-L61 HydrophobicContact CE1-CD2 4.06Å; V59-L61 PolarHBondContact O-N 3.49Å; L61-T63 PolarHBondContact O-N 2.78Å
62Q84.2Confident78Confident152 Ų152104.8 Ų104.871%0.7155%0.554SS**PPolyproline II helixtrans-65.4133.3175.5-65.3-62-19.900110
63T81.2Confident76Confident41 Ų41104.8 Ų104.825%0.25256%0.558SS.*PPolyproline II helixtrans-86.5143.2171.4-560000107.6R26 L61 S65 S66R26-T63 PolarHBondContact NH1-OG1 2.8Å; R26-T63 VanDerWaalsContact NH1-OG1 3.08Å; R26-T63 PolarHBondContact NH2-OG1 3.24Å; L61-T63 PolarHBondContact O-N 2.78Å; T63-S65 PolarHBondContact O-N 2.81Å; T63-S66 WeakPolarHBondContact O-CB 3.3Å; T63-S66 PolarHBondContact O-N 2.82Å; T63-S66 PolarHBondContact O-OG 3.38Å
64A70.9Confident74Confident102 Ų102109.3 Ų109.384%0.84359%0.586SS**THydrogen-bonded Turntrans-55.8-13.5-179.500000114.6
65S69.2Low72.2Confident112 Ų112116.1 Ų116.178%0.78361%0.609SS**THydrogen-bonded Turntrans-91.3-11.2176.2-168.10000114.1T63 K67T63-S65 PolarHBondContact O-N 2.81Å; S65-K67 PolarHBondContact O-N 3.35Å; S65-K67 VanDerWaalsContact O-N 3.15Å
66S59.3Low70.4Confident54 Ų54111.5 Ų111.538%0.37860%0.602SS.*  trans-90.258.4-174.8-46.30000112.7T63 V68T63-S66 WeakPolarHBondContact O-CB 3.3Å; T63-S66 PolarHBondContact O-N 2.82Å; T63-S66 PolarHBondContact O-OG 3.38Å; S66-V68 PolarHBondContact O-N 2.87Å
67K58.2Low68.9Low192 Ų192112.9 Ų112.984%0.83562%0.621SS**  trans-78.976.1165.1-75.4179.3179.2176.30109.1S65S65-K67 PolarHBondContact O-N 3.35Å; S65-K67 VanDerWaalsContact O-N 3.15Å
68V57.2Low67.5Low91 Ų91116 Ų11655%0.55263%0.629SS**  trans-97114.3161-173.10000107S66 Y70S66-V68 PolarHBondContact O-N 2.87Å; V68-Y70 VanDerWaalsContact C-N 3.27Å; V68-Y70 HydrophobicContact CB-CD2 4.07Å; V68-Y70 HydrophobicContact CB-CE2 3.66Å; V68-Y70 HydrophobicContact CG1-CD2 3.79Å; V68-Y70 HydrophobicContact CG1-CE1 4.23Å; V68-Y70 HydrophobicContact CG1-CE2 3.21Å; V68-Y70 VanDerWaalsContact CG1-CZ 3.47Å; V68-Y70 PolarHBondContact O-N 3.39Å
69N53Low65.8Low152 Ų152118.1 Ų118.181%0.81364%0.642SS**  trans-66.782.8178.3-69-22.7000110.1S71N69-S71 PolarHBondContact O-N 3.1Å
70Y52.7Low64.2Low189 Ų189119 Ų11974%0.74165%0.652SS**  trans-93.181.2158-59.5-73.7000107.4V68 V72V68-Y70 VanDerWaalsContact C-N 3.27Å; V68-Y70 HydrophobicContact CB-CD2 4.07Å; V68-Y70 HydrophobicContact CB-CE2 3.66Å; V68-Y70 HydrophobicContact CG1-CD2 3.79Å; V68-Y70 HydrophobicContact CG1-CE1 4.23Å; V68-Y70 HydrophobicContact CG1-CE2 3.21Å; V68-Y70 VanDerWaalsContact CG1-CZ 3.47Å; V68-Y70 PolarHBondContact O-N 3.39Å; Y70-V72 PolarHBondContact O-N 3.12Å
71S52Low62.4Low110 Ų110114.8 Ų114.877%0.76965%0.647SS**  trans-7270.1167.2600000109.4N69N69-S71 PolarHBondContact O-N 3.1Å
72V55.3Low60.8Low131 Ų131121.4 Ų121.479%0.79468%0.675SS**  trans-130.259.9165-168.50000107Y70Y70-V72 PolarHBondContact O-N 3.12Å
73T52.2Low59.7Low114 Ų114120.1 Ų120.170%0.69968%0.677SS**  trans-85.7125.6158.254.10000106.8K75T73-K75 PolarHBondContact O-N 2.94Å; T73-K75 VanDerWaalsContact O-N 3.14Å
74P51.7Low58.6Low107 Ų107128.6 Ų128.670%0.69570%0.704SS**  trans-62123.2163.429-29000105.3V76P74-V76 VanDerWaalsContact C-N 3.26Å; P74-V76 WeakPolarHBondContact O-CG2 3.34Å; P74-V76 PolarHBondContact O-N 3.41Å
75K55.5Low58.2Low202 Ų202133 Ų13388%0.87871%0.705SS**  trans-58.796.9170.2-81.8176178167.50106.8T73 A77T73-K75 PolarHBondContact O-N 2.94Å; T73-K75 VanDerWaalsContact O-N 3.14Å; K75-A77 PolarHBondContact O-N 3.09Å
76V58.4Low57.4Low95 Ų95132.6 Ų132.658%0.57671%0.708SS**  trans-68.9106176.1-142.60000106P74 W78P74-V76 VanDerWaalsContact C-N 3.26Å; P74-V76 WeakPolarHBondContact O-CG2 3.34Å; P74-V76 PolarHBondContact O-N 3.41Å; V76-W78 PolarHBondContact O-N 3.42Å; V76-W78 VanDerWaalsContact O-N 3.13Å
77A65.3Low57.4Low76 Ų76141.2 Ų141.263%0.62873%0.732SS**G310 helixtrans-63.8-22.3-162.100000114.9K75 H79 S80K75-A77 PolarHBondContact O-N 3.09Å; A77-H79 PolarHBondContact O-N 2.86Å; A77-S80 PolarHBondContact O-N 2.74Å; A77-S80 PolarHBondContact O-OG 3.47Å
78W65.3Low57.6Low170 Ų170138.1 Ų138.164%0.64473%0.73SS**G310 helixtrans-66.9-29.1-174.462.9-58.1000115.4V76 S80 G81V76-W78 PolarHBondContact O-N 3.42Å; V76-W78 VanDerWaalsContact O-N 3.13Å; W78-S80 VanDerWaalsContact C-N 3.26Å; W78-S80 PolarHBondContact O-N 3.49Å; W78-G81 PolarHBondContact O-N 3.41Å
79H58.3Low57.3Low138 Ų138139.9 Ų139.964%0.63974%0.743SS**G310 helixtrans-73.7-13177.8-88-82.6000114.2A77 G81A77-H79 PolarHBondContact O-N 2.86Å; H79-G81 VanDerWaalsContact C-N 3.34Å
80S61.6Low57.4Low90 Ų90144.4 Ų144.463%0.62975%0.749SS**G310 helixtrans-85-6.9174.2730000113.9A77 W78A77-S80 PolarHBondContact O-N 2.74Å; A77-S80 PolarHBondContact O-OG 3.47Å; W78-S80 VanDerWaalsContact C-N 3.26Å; W78-S80 PolarHBondContact O-N 3.49Å
81G58Low57.4Low49 Ų49142.7 Ų142.751%0.50575%0.747SS.*G310 helixtrans-78.6-17.7-174.100000115.7W78 H79 T83W78-G81 PolarHBondContact O-N 3.41Å; H79-G81 VanDerWaalsContact C-N 3.34Å; G81-T83 PolarHBondContact O-N 3.21Å
82F57.9Low57.5Low183 Ų183144.4 Ų144.480%0.80375%0.747SS**G310 helixtrans-90.65.6-169.1-78.7-82.1000115.9
83T60.8Low57.3Low124 Ų124143 Ų14376%0.76174%0.735SS**G310 helixtrans-99.86.4-179.758.50000114.7G81 K85G81-T83 PolarHBondContact O-N 3.21Å; T83-K85 PolarHBondContact O-N 2.85Å
84R57.9Low57.1Low219 Ų219145 Ų14583%0.82674%0.742SS**  trans-91.1101.9176.4-63.6-175.3-170.5-121.81.2110.5
85K61.7Low56.9Low195 Ų195149.8 Ų149.885%0.84875%0.746SS**  trans-49.5136.4167-72.4153.1178174.70110.2T83 R87T83-K85 PolarHBondContact O-N 2.85Å; K85-R87 PolarHBondContact O-N 3.37Å; K85-R87 VanDerWaalsContact O-N 3.09Å
86A52.4Low56.7Low103 Ų103148.1 Ų148.185%0.85174%0.741SS**  trans-51.4114177.200000110.6T88A86-T88 PolarHBondContact O-N 2.84Å
87R60.1Low55.8Low236 Ų236148.7 Ų148.789%0.89175%0.749SS**  trans-84.1106.2174.2-81.8-176.3175.3172.9-2.4108.9K85K85-R87 PolarHBondContact O-N 3.37Å; K85-R87 VanDerWaalsContact O-N 3.09Å
88T62.9Low54.6Low127 Ų127150 Ų15078%0.77975%0.754SS**  trans-63.4128.4161.448.40000110A86A86-T88 PolarHBondContact O-N 2.84Å
89P51.3Low53.8Low128 Ų128149 Ų14983%0.83176%0.761SS**  trans-73128.9178.2-16.630.6000112.3
90R53.3Low53.3Low247 Ų247150.7 Ų150.793%0.93277%0.766SS**  trans-132.8120.3158.7-91.9-171.4170.5169.1-1.8110.4
91H53.6Low52.7Low152 Ų152154.9 Ų154.970%0.70478%0.776SS**  trans-70.5133.2172.7163.7-71.7000111.2N93H91-N93 PolarHBondContact CE1-ND2 2.84Å; H91-N93 VanDerWaalsContact CE1-ND2 3.34Å; H91-N93 PolarHBondContact NE2-ND2 3.44Å; H91-N93 VanDerWaalsContact NE2-ND2 3.15Å
92N53.8Low52.4Low146 Ų146161.8 Ų161.878%0.78180%0.795SS**  trans-164.6142.2141.8-160.56.1000112.2
93N50.7Low52.2Low101 Ų101161.1 Ų161.154%0.5479%0.794SS.*  trans-103143-167.4-52.4-32.2000110.8H91H91-N93 PolarHBondContact CE1-ND2 2.84Å; H91-N93 VanDerWaalsContact CE1-ND2 3.34Å; H91-N93 PolarHBondContact NE2-ND2 3.44Å; H91-N93 VanDerWaalsContact NE2-ND2 3.15Å
94N48.4Very low51.7Low157 Ų157164.6 Ų164.684%0.8480%0.802SS**  trans174.5102.9144.9-96.5-15.1000107.2
95R47.4Very low51.1Low207 Ų207162.8 Ų162.878%0.78180%0.8SS**  60.5125.472.6-78.7-155.9179.3-149.32115.6
96H51.3Low49.9Very low167 Ų167163.2 Ų163.277%0.77380%0.802SS**  trans77.3133.7167.8-52.8-73.1000114.8
97S39.1Very low49.2Very low107 Ų107163.4 Ų163.475%0.74879%0.794SS**  cis-155.7135.331.6174.40000111.5
98S41.1Very low47.9Very low104 Ų104159.6 Ų159.673%0.72779%0.791SS**  trans-55.2145.4162.537.10000114.7
99L47.2Very low46.6Very low150 Ų150162.1 Ų162.179%0.78579%0.793SS**  trans-157.1107.6148.3-110.2147.5000111.9
100K48.3Very low46Very low173 Ų173163.1 Ų163.175%0.75279%0.787SS**  trans44.6109.3142.7-64.7179.9-177.5178.40118
101Q50.3Low45.5Very low177 Ų177157.8 Ų157.883%0.82777%0.772SS**  56.1113.684.7-74.1-179400113.2
102Q50.9Low44.7Very low195 Ų195160.5 Ų160.591%0.91178%0.777SS**  -165.1123.3111.9-103.5166.72100111.2
103Q53.3Low43.8Very low168 Ų168157 Ų15779%0.78577%0.774SS**  trans-87.3146.1171.7-62.8166.76.700108.6
104Q49.9Very low43Very low198 Ų198159.3 Ų159.393%0.92578%0.782SS**  trans-133120.9148.9-72.8-167.20.700110.2
105K45.2Very low42.3Very low180 Ų180160.7 Ų160.778%0.78378%0.784SS**  trans-75.7152.3173.3-68.8168168.8176.90110.6
106K38.1Very low41.5Very low205 Ų205158.8 Ų158.889%0.89178%0.784SS**  -170.4150.2118.8-105171.8-178.9-175.80113.2
107P36.7Very low40.7Very low106 Ų106156.4 Ų156.469%0.68878%0.78SS**  trans-121.7171.9-159.540-23.6000116
108L32.1Very low40.4Very low156 Ų156158.7 Ų158.782%0.81778%0.777SS**  trans57.6121.8146.5-77.2163.1000121.8
109H37.5Very low40.2Very low180 Ų180162.8 Ų162.883%0.83378%0.782SS**  trans-141.8132.8141.5-172.2-84.5000109.3
110E38.6Very low39.6Very low149 Ų149161.3 Ų161.370%0.69678%0.775SS**  trans-87.7-174.2-175.9-74.9173.7131.100113.3
111E41Very low38.8Very low135 Ų135161 Ų16163%0.63178%0.782SS**  trans92.797.2170-51.6-55.3142.700114.7
112R37.5Very low38.2Very low210 Ų210158 Ų15879%0.79278%0.776SS**  8412373.2-176.9-175.9-67.7-91.60.4111.2
113G35.1Very low37.5Very low71 Ų71155.8 Ų155.873%0.73277%0.768SS**  trans158.975.717700000110.5
114E33.1Very low36.7Very low151 Ų151153.8 Ų153.871%0.70677%0.773SS**  trans-46.4139.3164.350.3-127.3115.900113.2
115E34.1Very low36.1Very low186 Ų186151.7 Ų151.787%0.86977%0.767SS**  178.9140.6123.6-95.4173-174.200112.2
116E31.3Very low36Very low167 Ų167150.7 Ų150.778%0.7877%0.77SS**  trans-74.6137.2-164.3-58.2177.3142.700112.6
117V34.5Very low36Very low117 Ų117146.4 Ų146.471%0.70976%0.763SS**  trans-113.786.1168.6-177.80000108.8F119V117-F119 HydrophobicContact CG1-CD2 3.26Å; V117-F119 HydrophobicContact CG1-CE2 3.46Å; V117-F119 VanDerWaalsContact CG1-CE2 3.46Å; V117-F119 HydrophobicContact CG1-CG 4.44Å
118F33.1Very low36.3Very low154 Ų154149.2 Ų149.268%0.67577%0.771SS**  trans-71.3117.4154.5-92.8-96.1000108.1
119F35.9Very low36.7Very low190 Ų190147.1 Ų147.183%0.83377%0.765SS**  trans-118.2106.5159.5-90.3-70.8000110.3V117V117-F119 HydrophobicContact CG1-CD2 3.26Å; V117-F119 HydrophobicContact CG1-CE2 3.46Å; V117-F119 VanDerWaalsContact CG1-CE2 3.46Å; V117-F119 HydrophobicContact CG1-CG 4.44Å
120N35.3Very low36.9Very low119 Ų119144.8 Ų144.864%0.63677%0.765SS**  trans-89.5128-177.8-35-21.5000106.2T122N120-T122 PolarHBondContact O-N 2.8Å; N120-T122 VanDerWaalsContact O-N 3.13Å
121N30.6Very low37Very low168 Ų168145.8 Ų145.890%0.89877%0.77SS**  trans-64.4105.7168.9-77.7-31.4000110.4
122T37.8Very low37.2Very low114 Ų114147.8 Ų147.870%0.69978%0.784SS**  trans-152.8111.5156-58.10000109.9N120N120-T122 PolarHBondContact O-N 2.8Å; N120-T122 VanDerWaalsContact O-N 3.13Å
123I36.2Very low37.1Very low147 Ų147141.1 Ų141.175%0.75478%0.781SS**  trans31.2113.8138.1-54.3168.3000116
124S37.3Very low37.3Very low126 Ų126142.5 Ų142.588%0.88178%0.779SS**  trans-153.1131.6146.8-87.70000112.6
125L36.4Very low37.7Very low154 Ų154143.6 Ų143.681%0.80678%0.784SS**  trans-64.4143.7178.3-66.5143.7000111.8
126L44.5Very low38.1Very low159 Ų159143.5 Ų143.583%0.83278%0.784SS**  trans18.8156.9148.5-53.1175.3000120.6
127P38.4Very low38.5Very low116 Ų116139.6 Ų139.675%0.75377%0.773SS**  -156.4170.496.538.1-17.2000118.1
128L41.1Very low38.4Very low164 Ų164141.2 Ų141.286%0.85978%0.777SS**  trans113.9116.2151.1-95.477.4000120.4
129V40.6Very low38.7Very low112 Ų112141 Ų14168%0.67978%0.782SS**  trans-97.2163.4172.7175.40000108.9E131V129-E131 HydrophobicContact CG1-CG 4.07Å
130P42.3Very low38.8Very low131 Ų131138 Ų13885%0.85177%0.774SS**  -131.2145.51142.619.2000115.9
131E41.4Very low38.7Very low170 Ų170139.2 Ų139.279%0.79478%0.781SS**  trans-74.9162.1-175.3-53.2-166.3150.200114.7V129V129-E131 HydrophobicContact CG1-CG 4.07Å
132L45Very low39.4Very low178 Ų178139.6 Ų139.693%0.93278%0.777SS**  trans169.1117.5137.9-78.2-167.3000104.3
133G34.3Very low39.9Very low69 Ų69140.4 Ų140.471%0.71178%0.783SS**  cis118.999.225.300000108.2
134S39.4Very low40.6Very low101 Ų101141 Ų14171%0.70678%0.782SS**  trans153112.814167.50000114.2
135E42.3Very low41.4Very low174 Ų174143.4 Ų143.481%0.81378%0.78SS**  trans50.9107.613676.4-156.8137.900120.9
136E41.8Very low42.1Very low184 Ų184144.3 Ų144.386%0.8678%0.779SS**  100.715887.7-104.7-122.3130.100112.2
137P39.7Very low42.5Very low85 Ų85143.6 Ų143.655%0.55278%0.776SS**  -121.7-170.1-113.826.7-3.5000113.2
138L32.9Very low43Very low151 Ų151145.4 Ų145.479%0.79178%0.778SS**  trans92.1113.6163.8-47.2169.4000115.5
139L38.6Very low43.1Very low148 Ų148142.9 Ų142.978%0.77577%0.773SS**  158.4119.7112.6-82.9167000111.5
140N38Very low43.6Very low127 Ų127148.5 Ų148.568%0.67978%0.782SS**  trans52.1112.8140.9-58.18000118
141D34.5Very low44.1Very low145 Ų145148.1 Ų148.178%0.77578%0.777SS**  51140.787.7-85.4-28.4000113.4
142E44Very low45.1Very low176 Ų176144.6 Ų144.682%0.82277%0.769SS**  trans102.733.6166.1-48178.7-173.100119.2
143T49.5Very low45.7Very low132 Ų132142.6 Ų142.681%0.8176%0.764SS**  trans-143.58.817141.60000118.6
144E51.5Low46.3Very low160 Ų160148.2 Ų148.275%0.74877%0.769SS**SBendtrans-99.2-0.4179.457.6-173.7159.900115.6
145E52.4Low46.7Very low176 Ų176149.8 Ų149.882%0.82277%0.77SS**SBendtrans-91-13.5-178-52.4-165.6169.400114.4
146Q51.6Low47.5Very low172 Ų172145.4 Ų145.480%0.80476%0.763SS**SBendtrans-90.2-3.9-176.3-154.372.534.800113.9
147L52.3Low48.1Very low145 Ų145144.3 Ų144.376%0.75976%0.758SS**SBendtrans-105.9-2.9-175.5-63.6179.3000114.6
148L49.2Very low48.9Very low153 Ų153146.4 Ų146.480%0.80176%0.764SS**SBendtrans-104.25.7-175.4-79.5159.3000115.4
149C43.2Very low49.7Very low112 Ų112143.1 Ų143.176%0.75775%0.753SS**  trans-127.868.9179.2-69.30000112.3
150R51.8Low50.4Low229 Ų229139.1 Ų139.186%0.86474%0.737SS**  trans-120.896.7159-69.6-142.7166.6107.71.7109.3
151V53.2Low51.4Low123 Ų123138.2 Ų138.275%0.74573%0.731SS**PPolyproline II helixtrans-79.9132.4174.6-176.20000108V153V151-V153 PolarHBondContact O-N 3.08Å
152P61.6Low52.3Low97 Ų97140.8 Ų140.863%0.6373%0.731SS**PPolyproline II helixtrans-57.3120173.8-23.433.5000110.7F154P152-F154 PolarHBondContact O-N 3.15Å
153V57Low52.7Low136 Ų136137.1 Ų137.182%0.82472%0.717SS**PPolyproline II helixtrans-73.7117.7169.6179.70000106.5V151V151-V153 PolarHBondContact O-N 3.08Å
154F47.2Very low52.8Low187 Ų187138.1 Ų138.182%0.8271%0.713SS**PPolyproline II helixtrans-80.6129.8168.6-69.6-80.9000108.3P152 A156P152-F154 PolarHBondContact O-N 3.15Å; F154-A156 PolarHBondContact O-N 3.01Å
155D49Very low52.9Low134 Ų134137 Ų13772%0.71772%0.716SS**PPolyproline II helixtrans-55.8131.7177.3-89.3-36.5000110.9E157D155-E157 PolarHBondContact O-N 3.29Å
156A59.2Low52.7Low81 Ų81137.1 Ų137.167%0.66971%0.714SS**G310 helixtrans-65.9-6-176.700000113.8F154F154-A156 PolarHBondContact O-N 3.01Å
157E54.8Low52.3Low161 Ų161135.6 Ų135.675%0.75271%0.712SS**G310 helixtrans-80.4-19.2-174.7-64.2-172.8164.400114.1D155D155-E157 PolarHBondContact O-N 3.29Å
158L55.5Low52.1Low130 Ų130137.4 Ų137.468%0.68172%0.716SS**G310 helixtrans-82.4-12.2175.6-93.4158.6000113.7
159C49.3Very low51.8Low81 Ų81137 Ų13755%0.54772%0.719SS.*THydrogen-bonded Turntrans-86.3-18.6179.5-159.50000112.8N163C159-N163 PolarHBondContact O-ND2 2.81Å
160S54.5Low51.7Low65 Ų65138.9 Ų138.946%0.45573%0.727SS.*THydrogen-bonded Turntrans-74.2-34.1179.1-53.90000112.5Y162 N163 E164S160-Y162 VanDerWaalsContact C-N 3.28Å; S160-Y162 PolarHBondContact O-N 3.24Å; S160-N163 PolarHBondContact O-N 3.22Å; S160-E164 PolarHBondContact O-N 3.36Å; S160-E164 VanDerWaalsContact O-N 3.16Å
161I57.3Low51.1Low107 Ų107132.5 Ų132.555%0.54972%0.724SS.*THydrogen-bonded Turntrans-68.3-28-178-57.5173.2000112.1
162Y53.2Low50.5Low200 Ų200131.7 Ų131.778%0.78473%0.73SS**THydrogen-bonded Turntrans-85.3-11.3178.5-86.3-87.1000114.1S160S160-Y162 VanDerWaalsContact C-N 3.28Å; S160-Y162 PolarHBondContact O-N 3.24Å
163N53.5Low49.4Very low98 Ų98130.7 Ų130.752%0.52474%0.737SS.*THydrogen-bonded Turntrans-103.9-22.5178.1-67.6-55.4000112.8C159 S160 V165 K166C159-N163 PolarHBondContact O-ND2 2.81Å; S160-N163 PolarHBondContact O-N 3.22Å; N163-V165 VanDerWaalsContact C-N 3.3Å; N163-V165 PolarHBondContact O-N 3.17Å; N163-K166 PolarHBondContact O-N 2.97Å
164E51.9Low48.9Very low154 Ų154133.4 Ų133.472%0.7274%0.741SS**THydrogen-bonded Turntrans-72.3-12.4177.5-87178153.900115.2S160S160-E164 PolarHBondContact O-N 3.36Å; S160-E164 VanDerWaalsContact O-N 3.16Å
165V52.6Low48.8Very low135 Ų135133.3 Ų133.382%0.81874%0.743SS**THydrogen-bonded Turntrans-90.6-0.4177.3-167.70000112.4N163N163-V165 VanDerWaalsContact C-N 3.3Å; N163-V165 PolarHBondContact O-N 3.17Å
166K48.3Very low48.4Very low180 Ų180131.7 Ų131.778%0.78375%0.748SS**SBendtrans-113.7-7.9-174.2-151.2163.6-176.8173.20115.1N163N163-K166 PolarHBondContact O-N 2.97Å
167D44.1Very low47.9Very low139 Ų139135.5 Ų135.574%0.74376%0.756SS**SBendtrans-122.249.6-176.3-69.8-30.4000112.5
168E47.1Very low47.2Very low184 Ų184135.4 Ų135.486%0.8676%0.761SS**SBendtrans-146.152.3163.1-81.6-150.3152.700111.7
169V44.3Very low46.9Very low143 Ų143136.6 Ų136.687%0.86777%0.767SS**  trans-146.364.6161.4-165.30000109.9
170V40Very low46.8Very low152 Ų152141 Ų14192%0.92178%0.78SS**  trans-137.975.6165.3-174.40000108.6
171A40Very low46.5Very low95 Ų95144.8 Ų144.879%0.78580%0.795SS**SBendtrans-174.1132.5153.400000110
172A39.2Very low45.7Very low107 Ų107149 Ų14988%0.88481%0.809SS**  trans78.9121.9163.400000118.1
173G40.4Very low45.5Very low75 Ų75145.1 Ų145.177%0.77381%0.812SS**  trans98.4100.5133.100000115.1E175G173-E175 PolarHBondContact O-N 3.19Å
174E45.7Very low45.4Very low194 Ų194145.6 Ų145.691%0.90782%0.823SS**  trans-44.6118.8154.3-54.7167.2152.100109.6
175E44.6Very low45.5Very low185 Ų185147.3 Ų147.386%0.86483%0.831SS**  trans-157.4129.7139.7-73.8-139.3169.100108.4G173 L177G173-E175 PolarHBondContact O-N 3.19Å; E175-L177 PolarHBondContact O-N 3.21Å
176A41.2Very low45.7Very low100 Ų100150.5 Ų150.583%0.82683%0.834SS**  trans-69.4123.7178.800000110
177L48.1Very low46.2Very low160 Ų160149 Ų14984%0.83883%0.834SS**  trans-133.7121.8164.4-67.9177.1000109.1E175 L179E175-L177 PolarHBondContact O-N 3.21Å; L177-L179 PolarHBondContact O-N 3.03Å
178D40.5Very low47Very low159 Ų159147.1 Ų147.185%0.8583%0.829SS**  trans-57.6118.3-176.8-68.4-49000112.2E180D178-E180 VanDerWaalsContact C-N 3.35Å; D178-E180 PolarHBondContact O-N 2.95Å
179L49.9Very low48.5Very low155 Ų155141 Ų14181%0.81281%0.806SS**  trans-98.958.2171.5-168.264.2000110L177L177-L179 PolarHBondContact O-N 3.03Å
180E46Very low50.3Low175 Ų175141 Ų14182%0.81880%0.802SS**  trans-116.163.8170.1-72.6-76.4161.200107.7D178D178-E180 VanDerWaalsContact C-N 3.35Å; D178-E180 PolarHBondContact O-N 2.95Å
181N49.2Very low52.4Low144 Ų144138.5 Ų138.577%0.7779%0.787SS**  trans-152.520.8175.6-159.275.5000114.2
182F40.7Very low54.4Low194 Ų194137.8 Ų137.885%0.85177%0.77SS**SBendtrans-121.412.8176.4-110.6-87.9000114.8
183S48.4Very low56.7Low119 Ų119137.5 Ų137.583%0.83275%0.753SS**SBendtrans-134.279.3-180-60.80000110.1
184S51.9Low58.9Low108 Ų108136.6 Ų136.676%0.75574%0.738SS**SBendtrans-153.7-16.1173.2-177.70000116.3
185E54.2Low60.9Low190 Ų190133.6 Ų133.689%0.88872%0.724SS**SBendtrans-99.61.3-168.4-82-179.6153.100116.3
186F55.1Low63Low202 Ų202130.1 Ų130.189%0.88671%0.707SS**SBendtrans-127.47.6-177.1-95.7-87.1000115.8
187L59.2Low65Low148 Ų148128.5 Ų128.578%0.77569%0.686SS**SBendtrans-112.9129.7172.1-61.5178.7000108S189L187-S189 PolarHBondContact O-N 3.29Å
188P62.1Low66.9Low101 Ų101123.6 Ų123.666%0.65667%0.669SS**  trans-49.8130.2166.7-22.432.3000108.2D192P188-D192 HydrophobicContact CB-CB 4.03Å
189S78.4Confident69.2Low54 Ų54120.7 Ų120.738%0.37865%0.653SS.*  trans-60152.9177.363.70000109.2L187 T191 D192 L193L187-S189 PolarHBondContact O-N 3.29Å; S189-T191 PolarHBondContact O-N 3.27Å; S189-D192 PolarHBondContact N-OD2 3.04Å; S189-D192 WeakPolarHBondContact O-CB 3.44Å; S189-D192 PolarHBondContact O-N 3.43Å; S189-D192 VanDerWaalsContact OG-CG 3.24Å; S189-D192 PolarHBondContact OG-N 3.31Å; S189-D192 PolarHBondContact OG-OD2 2.7Å; S189-L193 PolarHBondContact O-N 2.96Å
190D80.7Confident70.9Confident143 Ų143116 Ų11677%0.76563%0.631SS**Hα-helixtrans-53.9-25.3174.2-84.4-32000112L193 A194D190-L193 PolarHBondContact O-N 3.24Å; D190-A194 WeakPolarHBondContact O-CB 3.5Å; D190-A194 PolarHBondContact O-N 3.35Å
191T84.1Confident72.8Confident101 Ų101114 Ų11462%0.6262%0.62SS**Hα-helixtrans-62.8-44171.7-46.10000112.7S189 L193 A194 E195S189-T191 PolarHBondContact O-N 3.27Å; T191-L193 VanDerWaalsContact C-N 3.3Å; T191-L193 PolarHBondContact O-N 3.34Å; T191-A194 PolarHBondContact O-N 3.42Å; T191-E195 PolarHBondContact O-N 3.49Å
192D82.8Confident74.3Confident80 Ų80111.6 Ų111.643%0.42861%0.614SS.*Hα-helixtrans-67.1-34.1179.7-59.5-47.8000111.3P188 S189 F196P188-D192 HydrophobicContact CB-CB 4.03Å; S189-D192 PolarHBondContact N-OD2 3.04Å; S189-D192 WeakPolarHBondContact O-CB 3.44Å; S189-D192 PolarHBondContact O-N 3.43Å; S189-D192 VanDerWaalsContact OG-CG 3.24Å; S189-D192 PolarHBondContact OG-N 3.31Å; S189-D192 PolarHBondContact OG-OD2 2.7Å; D192-F196 WeakPolarHBondContact O-CB 2.84Å; D192-F196 PolarHBondContact O-N 2.85Å
193L87.9Confident76Confident101 Ų101110.9 Ų110.953%0.52961%0.611SS.*Hα-helixtrans-72-37.2175.5-173.362.3000111.9S189 D190 T191 T197S189-L193 PolarHBondContact O-N 2.96Å; D190-L193 PolarHBondContact O-N 3.24Å; T191-L193 VanDerWaalsContact C-N 3.3Å; T191-L193 PolarHBondContact O-N 3.34Å; L193-T197 WeakPolarHBondContact O-CG2 3.28Å; L193-T197 PolarHBondContact O-N 2.85Å; L193-T197 PolarHBondContact O-OG1 2.86Å
194A86.4Confident77.3Confident55 Ų55111.8 Ų111.846%0.45561%0.606SS.*Hα-helixtrans-66.9-41.2174.100000111.9D190 T191 T197 A198D190-A194 WeakPolarHBondContact O-CB 3.5Å; D190-A194 PolarHBondContact O-N 3.35Å; T191-A194 PolarHBondContact O-N 3.42Å; A194-T197 WeakPolarHBondContact CA-OG1 3.22Å; A194-T197 PolarHBondContact O-N 2.97Å; A194-T197 PolarHBondContact O-OG1 2.83Å; A194-A198 WeakPolarHBondContact O-CB 3.44Å; A194-A198 PolarHBondContact O-N 3.32Å
195E88.3Confident77.5Confident132 Ų132109.3 Ų109.362%0.61760%0.597SS**Hα-helixtrans-65.8-44.2175-169.3175.1-173.200111.1T191 T197 A198 D199T191-E195 PolarHBondContact O-N 3.49Å; E195-T197 VanDerWaalsContact C-N 3.35Å; E195-T197 PolarHBondContact O-N 3.48Å; E195-A198 PolarHBondContact O-N 3.08Å; E195-D199 WeakPolarHBondContact O-CB 3.44Å; E195-D199 PolarHBondContact O-N 3.3Å
196F87.3Confident77.7Confident112 Ų112106.5 Ų106.549%0.49159%0.588SS.*Hα-helixtrans-60-41.9174.5177.6-100.7000112.6D192 D199 V200D192-F196 WeakPolarHBondContact O-CB 2.84Å; D192-F196 PolarHBondContact O-N 2.85Å; F196-D199 PolarHBondContact O-N 3.06Å; F196-V200 HydrophobicContact CD1-CG2 4.44Å; F196-V200 HydrophobicContact CE1-CG2 4.02Å; F196-V200 HydrophobicContact CE2-CG2 4.15Å; F196-V200 HydrophobicContact CZ-CG2 3.86Å; F196-V200 WeakPolarHBondContact O-CG2 3.39Å; F196-V200 PolarHBondContact O-N 3.45Å
197T83.9Confident77.3Confident66 Ų66100.6 Ų100.641%0.40558%0.584SS.*Hα-helixtrans-70.5-32.1177.145.90000112.8L193 A194 E195 K201L193-T197 WeakPolarHBondContact O-CG2 3.28Å; L193-T197 PolarHBondContact O-N 2.85Å; L193-T197 PolarHBondContact O-OG1 2.86Å; A194-T197 WeakPolarHBondContact CA-OG1 3.22Å; A194-T197 PolarHBondContact O-N 2.97Å; A194-T197 PolarHBondContact O-OG1 2.83Å; E195-T197 VanDerWaalsContact C-N 3.35Å; E195-T197 PolarHBondContact O-N 3.48Å; T197-K201 WeakPolarHBondContact O-CB 3.32Å; T197-K201 WeakPolarHBondContact O-CG 3.48Å; T197-K201 PolarHBondContact O-N 2.85Å
198A87.2Confident76.9Confident57 Ų5796.9 Ų96.947%0.47158%0.575SS.*Hα-helixtrans-67.7-41.4170.900000111.9A194 E195 K201 S202A194-A198 WeakPolarHBondContact O-CB 3.44Å; A194-A198 PolarHBondContact O-N 3.32Å; E195-A198 PolarHBondContact O-N 3.08Å; A198-K201 PolarHBondContact O-N 3.41Å; A198-S202 WeakPolarHBondContact O-CB 3.46Å; A198-S202 PolarHBondContact O-N 2.79Å
199D90.3Very high76.5Confident97 Ų97100 Ų10052%0.51959%0.586SS.*Hα-helixtrans-66.8-39.2179.1-154.640.3000111.4E195 F196 S202 F203E195-D199 WeakPolarHBondContact O-CB 3.44Å; E195-D199 PolarHBondContact O-N 3.3Å; F196-D199 PolarHBondContact O-N 3.06Å; D199-S202 WeakPolarHBondContact O-CB 3.31Å; D199-S202 PolarHBondContact O-N 3.33Å; D199-F203 PolarHBondContact O-N 3.5Å
200V85.8Confident75.4Confident58 Ų58105.6 Ų105.635%0.35261%0.606SS.*Hα-helixtrans-66.7-39.8172172.80000111.9F196 F203 L204F196-V200 HydrophobicContact CD1-CG2 4.44Å; F196-V200 HydrophobicContact CE1-CG2 4.02Å; F196-V200 HydrophobicContact CE2-CG2 4.15Å; F196-V200 HydrophobicContact CZ-CG2 3.86Å; F196-V200 WeakPolarHBondContact O-CG2 3.39Å; F196-V200 PolarHBondContact O-N 3.45Å; V200-F203 PolarHBondContact O-N 3.43Å; V200-L204 HydrophobicContact CG1-CD1 3.86Å; V200-L204 HydrophobicContact CG1-CG 4.4Å; V200-L204 WeakPolarHBondContact O-CB 3.48Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.49Å; V200-L204 PolarHBondContact O-N 3.15Å
201K84.4Confident74Confident132 Ų132106.3 Ų106.357%0.57461%0.61SS**Hα-helixtrans-65.9-37.2174.4-81.5173.5177.9168.70112.3T197 A198 L204 G205T197-K201 WeakPolarHBondContact O-CB 3.32Å; T197-K201 WeakPolarHBondContact O-CG 3.48Å; T197-K201 PolarHBondContact O-N 2.85Å; A198-K201 PolarHBondContact O-N 3.41Å; K201-L204 PolarHBondContact O-N 3.47Å; K201-G205 PolarHBondContact O-N 2.96Å
202S81.8Confident72.3Confident93 Ų93106.8 Ų106.865%0.6562%0.617SS**Hα-helixtrans-61.5-44.8172.5-176.70000111.4A198 D199 L204 G205A198-S202 WeakPolarHBondContact O-CB 3.46Å; A198-S202 PolarHBondContact O-N 2.79Å; D199-S202 WeakPolarHBondContact O-CB 3.31Å; D199-S202 PolarHBondContact O-N 3.33Å; S202-L204 VanDerWaalsContact C-N 3.32Å; S202-L204 PolarHBondContact O-N 3.34Å; S202-G205 PolarHBondContact O-N 2.99Å
203F75.4Confident70.8Confident180 Ų180107.7 Ų107.779%0.78963%0.627SS**Hα-helixtrans-66.6-29.9175.7-107.1-84.4000114D199 V200D199-F203 PolarHBondContact O-N 3.5Å; V200-F203 PolarHBondContact O-N 3.43Å
204L75.3Confident68.9Low138 Ų138109.3 Ų109.372%0.72364%0.637SS**Hα-helixtrans-86.6-3.4-179.2-71175.8000114.1V200 K201 S202V200-L204 HydrophobicContact CG1-CD1 3.86Å; V200-L204 HydrophobicContact CG1-CG 4.4Å; V200-L204 WeakPolarHBondContact O-CB 3.48Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.49Å; V200-L204 PolarHBondContact O-N 3.15Å; K201-L204 PolarHBondContact O-N 3.47Å; S202-L204 VanDerWaalsContact C-N 3.32Å; S202-L204 PolarHBondContact O-N 3.34Å
205G57.7Low67.3Low55 Ų55113.2 Ų113.257%0.56765%0.65SS**  trans62.994.6175.200000112.2K201 S202 G207K201-G205 PolarHBondContact O-N 2.96Å; S202-G205 PolarHBondContact O-N 2.99Å; G205-G207 VanDerWaalsContact C-N 3.34Å; G205-G207 PolarHBondContact O-N 3.45Å
206N56.8Low65.5Low132 Ų132114 Ų11471%0.70666%0.658SS**  trans-59.594.4165.3-89.550.5000110.2A208N206-A208 PolarHBondContact O-N 2.91Å
207G47Very low63.9Low77 Ų77116.4 Ų116.479%0.79467%0.671SS**  trans-7978.715700000108.6G205G205-G207 VanDerWaalsContact C-N 3.34Å; G205-G207 PolarHBondContact O-N 3.45Å
208A52.2Low62Low70 Ų70120.3 Ų120.358%0.57969%0.685SS**  trans-86.3107.8161.500000106.8N206N206-A208 PolarHBondContact O-N 2.91Å
209D52.8Low60.2Low166 Ų166122 Ų12289%0.88869%0.689SS**  trans-102.389.4157.3-65.2-39.3000105.6
210E55.1Low58.1Low172 Ų172126.5 Ų126.580%0.80470%0.703SS**  trans-89.3104162.2-70.5-95.2151.100106.2
211D51.1Low55.9Low159 Ų159132.5 Ų132.585%0.8573%0.728SS**  trans-163.196.5161.5-84.6-42.1000106.1
212S49Very low54Low111 Ų111131.5 Ų131.578%0.77674%0.737SS**  91.914898-160.10000112.3
213P50.9Low52.2Low98 Ų98135.4 Ų135.464%0.63675%0.745SS**  -121.6-158.5-102.624.33.4000111.3
214D48.3Very low50.3Low136 Ų136134.1 Ų134.173%0.72775%0.746SS**  trans96.4120.1173.9-45.4-24.4000111.4
215D53.6Low48.4Very low136 Ų136134.4 Ų134.473%0.72775%0.747SS**  cis-158.7172.914.2-72.8-57.6000109.5
216D50.6Low47.6Very low148 Ų148138.8 Ų138.879%0.79176%0.756SS**  trans87.684.4156.2-56.7-39.7000120.1
217E52.3Low47Very low164 Ų164139.5 Ų139.577%0.76676%0.759SS**  48.5129117.7-79.5-139.6115.300121.8
218H44.8Very low46.7Very low148 Ų148142.6 Ų142.669%0.68576%0.758SS**  trans10289.3136.6-101.763.9000119.2
219V48.3Very low46.4Very low92 Ų92145.8 Ų145.856%0.55877%0.774SS**  90.7121.2111.6166.30000118.6
220K46.3Very low46Very low191 Ų191147.4 Ų147.483%0.8377%0.773SS**  trans90.398.5153-76.4158.5-163.1168.50118.7
221E39.9Very low45.5Very low185 Ų185147.9 Ų147.986%0.86478%0.775SS**  trans-33.7137140.7-62.4169.3139.100112.6
222S45.6Very low45.6Very low110 Ų110149.4 Ų149.477%0.76978%0.777SS**  trans-174120.5138.9-75.80000110.2
223E42.3Very low45.5Very low175 Ų175152.3 Ų152.382%0.81878%0.779SS**  trans42.5109.5139.8-73.7175133.400120.4L225E223-L225 PolarHBondContact O-N 3.1Å
224L35.8Very low45.4Very low154 Ų154151.4 Ų151.481%0.80679%0.787SS**  19.792.5113.2-152.8171.7000115.7
225L36.1Very low45.2Very low143 Ų143151.1 Ų151.175%0.74979%0.786SS**  trans-141.6114.3152.5-84.1179.8000111.2E223 L227E223-L225 PolarHBondContact O-N 3.1Å; L225-L227 PolarHBondContact O-N 3.47Å
226I40Very low45.4Very low148 Ų148154 Ų15476%0.75980%0.795SS**  trans-60.3110.1156-63.2167.7000106.1
227L44.3Very low45.5Very low146 Ų146155.6 Ų155.676%0.76480%0.797SS**  trans-103.4112.2173.3-82166.8000110L225L225-L227 PolarHBondContact O-N 3.47Å
228D40.5Very low45.8Very low142 Ų142156.7 Ų156.776%0.75981%0.805SS**  trans-59.7124.5162.7-74.9-48.8000109.8K230D228-K230 PolarHBondContact O-N 3.33Å; D228-K230 VanDerWaalsContact O-N 3.14Å
229C46.6Very low45.8Very low137 Ų137156.3 Ų156.393%0.92681%0.808SS**  trans-74.2102.5165.5-63.70000108.7
230K45.6Very low45.9Very low200 Ų200161 Ų16187%0.8782%0.824SS**  trans-90.6134.4170.2-151.1165.4-179.5170.50108.8D228D228-K230 PolarHBondContact O-N 3.33Å; D228-K230 VanDerWaalsContact O-N 3.14Å
231E44.4Very low45.8Very low182 Ų182156.8 Ų156.885%0.8582%0.817SS**  trans-63.8139.6178.4-64.2164.9163.400110.6
232E52.4Low46.2Very low191 Ų191155.1 Ų155.189%0.89381%0.813SS**  trans-116.7113.1160.6-71.8-84.6150.600106.2
233E47.1Very low46.1Very low172 Ų172157.1 Ų157.180%0.80482%0.815SS**  trans-65.4137.3167.5-84.9167.9147.100109.6
234G48.4Very low46.2Very low79 Ų79152.1 Ų152.181%0.81481%0.81SS**  trans-12598.8166.200000107.6
235D44Very low46.6Very low130 Ų130152.2 Ų152.270%0.69582%0.817SS**  trans-83.9123.7178.3-44.4-47.1000109.1
236E57.3Low46.8Very low198 Ų198152.8 Ų152.893%0.92582%0.82SS**  trans-131.3103.8160.4-72.3-170.1177.300109.1
237E52.5Low47Very low180 Ų180153.3 Ų153.384%0.84182%0.823SS**  trans-65.5140.1171.5-66.3176.8153.400111.3
238M59.9Low46.7Very low188 Ų188149.4 Ų149.493%0.92682%0.818SS**  trans-138.595.1155-171.5-166.6-71.100108.2
239D45.4Very low46.7Very low139 Ų139147.1 Ų147.174%0.74382%0.818SS**  trans-86.6125.5164.8-82.7-33.7000109.4
240E50.3Low46.7Very low192 Ų192149.2 Ų149.290%0.89781%0.812SS**  trans-148.7104.3145.4-150.7168.8-164.300109.9
241C44.1Very low46.5Very low102 Ų102146.3 Ų146.369%0.68981%0.806SS**  trans-78.4154.1170.2-55.60000110
242I47.9Very low46.6Very low149 Ų149142.4 Ų142.476%0.76480%0.804SS**  trans-174.6124.4131.9-89.8148.5000109.7
243D43Very low46Very low152 Ų152141.5 Ų141.581%0.81380%0.802SS**  trans43.8121.2151.7-59.5-24000120
244G43.8Very low45.9Very low71 Ų71139.6 Ų139.673%0.73280%0.802SS**  cis95.9105.93700000110.2
245V44.9Very low45.5Very low155 Ų155145 Ų14594%0.93980%0.803SS**  trans177.9134.3138.6151.30000111.3
246L40.8Very low46Very low155 Ų155145.1 Ų145.181%0.81281%0.809SS**  trans-89.1174.7-171.3-176.469.6000112.4
247I43.1Very low45.3Very low160 Ų160142.6 Ų142.682%0.82179%0.794SS**  trans109.5119.5158-52.8156.3000111
248G38.6Very low45.4Very low64 Ų64140.7 Ų140.766%0.6679%0.79SS**  cis135.1136.614.500000109
249A41.6Very low45Very low93 Ų93138.9 Ų138.977%0.76978%0.779SS**  trans70.8148.9164.900000117.6
250K46.4Very low45.3Very low181 Ų181141.9 Ų141.979%0.78779%0.789SS**  cis-174.1146.8-0.2-106.3169.2-172.5172.50108.4
251D41.6Very low45.2Very low140 Ų140140.6 Ų140.675%0.74978%0.783SS**  trans61.9133.6137.6-58.1-32.2000125.3
252A45.2Very low45.8Very low99 Ų99144 Ų14482%0.81879%0.793SS**  trans68.5153.5138.700000118.4
253M40.9Very low45.5Very low172 Ų172143.8 Ų143.885%0.84779%0.793SS**  cis177147.8-13.8172.916083.700102.7
254V44.4Very low45.6Very low133 Ų133140.3 Ų140.381%0.80679%0.786SS**  trans152.8137.2141.2163.70000111.7
255K40Very low45.8Very low192 Ų192143.7 Ų143.784%0.83579%0.787SS**  trans-113.8132.9-167.2167.5-173.7-175.5176.20107.6
256V53.8Low46Very low133 Ų133143.1 Ų143.181%0.80678%0.779SS**  trans-142.9145.8155.9-176.20000109
257K43.8Very low46.2Very low145 Ų145142.9 Ų142.963%0.6378%0.778SS**  trans-100.5-172.1-163.7-156.1-180177.2-139.90109.6E259K257-E259 WeakPolarHBondContact CE-OE1 3.48Å; K257-E259 IonicContact NZ-OE1 2.73Å; K257-E259 PolarHBondContact NZ-OE1 2.91Å
258D53.7Low46.6Very low139 Ų139141.8 Ų141.874%0.74378%0.779SS**  trans112.192165.5-49.1-20.3000109.9
259E51Low46.6Very low151 Ų151143.4 Ų143.471%0.70679%0.786SS**  5791.771.1-54.9-161.7-147.800112.8K257K257-E259 WeakPolarHBondContact CE-OE1 3.48Å; K257-E259 IonicContact NZ-OE1 2.73Å; K257-E259 PolarHBondContact NZ-OE1 2.91Å
260E52.5Low47Very low201 Ų201145 Ų14594%0.93979%0.791SS**  trans-157.5134.1134.8-121.5-174.1177.400111.6
261E47.9Very low46.4Very low166 Ų166143.2 Ų143.278%0.77679%0.785SS**  trans-82.1145.9-179-175.3178.9-143.900109.3
262L56.7Low46.6Very low174 Ų174144.6 Ų144.691%0.91179%0.792SS**  trans-173.2124.9149.7-101.8164.8000111
263D41.3Very low46.4Very low143 Ų143145.1 Ų145.177%0.76578%0.78SS**  trans-79.8173.1-176-65.4-67.4000115.1
264A46.3Very low46.7Very low79 Ų79141.6 Ų141.665%0.65377%0.773SS**  trans102.2108.7145.900000119
265D46.9Very low46.7Very low143 Ų143142.4 Ų142.477%0.76577%0.771SS**  52.3119121.3-45.4-36.8000120.2
266D50.1Low46.9Very low143 Ų143141.4 Ų141.477%0.76577%0.774SS**  164126.1114-86.4-23.4000113.4
267D44Very low46.3Very low149 Ų149142.6 Ų142.680%0.79778%0.776SS**  trans23.2114142.8-60.2-32.3000120.2
268T51.4Low46.9Very low137 Ų137144.2 Ų144.284%0.8479%0.788SS**  trans-147.2114142.8-43.30000111.6C270T268-C270 PolarHBondContact O-N 3.13Å
269A40Very low46.5Very low98 Ų98145.2 Ų145.281%0.8179%0.793SS**  trans-55.3119.217000000111.6
270C50.1Low46.1Very low127 Ų127141.6 Ų141.686%0.85880%0.796SS**  trans-98.778.8164.7520000109.7T268 L272T268-C270 PolarHBondContact O-N 3.13Å; C270-L272 PolarHBondContact O-N 2.99Å
271H33.7Very low45.7Very low143 Ų143140.6 Ų140.666%0.66279%0.792SS**  trans-78.6103157.5176.8-75.2000108D273H271-D273 IonicContact CE1-OD1 3.93Å; H271-D273 IonicContact CE1-OD2 2.92Å; H271-D273 PolarHBondContact CE1-OD2 2.76Å; H271-D273 IonicContact ND1-OD2 3.88Å; H271-D273 IonicContact NE2-OD1 3.9Å; H271-D273 IonicContact NE2-OD2 3.46Å; H271-D273 PolarHBondContact NE2-OD2 3.16Å
272L45.1Very low45.7Very low170 Ų170137.4 Ų137.489%0.8979%0.793SS**  trans-133.797159.9-101.4166.3000108.3C270C270-L272 PolarHBondContact O-N 2.99Å
273D41.9Very low44.9Very low109 Ų109137.4 Ų137.458%0.58379%0.786SS**  trans-52.3144.9162.8-67.7-44.3000111.6H271H271-D273 IonicContact CE1-OD1 3.93Å; H271-D273 IonicContact CE1-OD2 2.92Å; H271-D273 PolarHBondContact CE1-OD2 2.76Å; H271-D273 IonicContact ND1-OD2 3.88Å; H271-D273 IonicContact NE2-OD1 3.9Å; H271-D273 IonicContact NE2-OD2 3.46Å; H271-D273 PolarHBondContact NE2-OD2 3.16Å
274S46.2Very low44.9Very low99 Ų99135.8 Ų135.869%0.69278%0.778SS**  140.2119.6119-79.30000113.3
275I44.7Very low44.7Very low150 Ų150142.4 Ų142.477%0.76979%0.786SS**  trans81.698144.1-58.1158.7000114.8
276L44Very low44.3Very low171 Ų171141.3 Ų141.390%0.89578%0.78SS**  -165.790.6117.2-85.4-174.7000108.2
277D42.2Very low43.7Very low157 Ų157142 Ų14284%0.8478%0.782SS**  trans-76.3118.8165.5-94.6-33.5000109.7
278M54.8Low43.4Very low180 Ų180140.3 Ų140.389%0.88778%0.777SS**  trans-142.288.2156.4-85.7-16071.400109.4
279N45.1Very low42.9Very low160 Ų160142.5 Ų142.586%0.85678%0.778SS**  trans2798.9139.3-54.22.3000116.7
280G44.3Very low43.1Very low75 Ų75142.8 Ų142.877%0.77377%0.774SS**  trans-137.372.616600000110.1A282G280-A282 PolarHBondContact O-N 2.83Å
281E44.2Very low42.7Very low180 Ų180145.8 Ų145.884%0.84178%0.775SS**  trans27.788.8156.1-62.4170.3-156.300116.7F283E281-F283 PolarHBondContact O-N 3.47Å; E281-F283 VanDerWaalsContact O-N 3.12Å
282A46Very low42.8Very low98 Ų98144.5 Ų144.581%0.8178%0.782SS**  trans-66.4106.1158.500000108.7G280 N284G280-A282 PolarHBondContact O-N 2.83Å; A282-N284 PolarHBondContact O-N 3.23Å
283F40.7Very low42.3Very low174 Ų174142.3 Ų142.376%0.76378%0.779SS**  trans-59.796.8167.2-126.6-96.7000108.5E281E281-F283 PolarHBondContact O-N 3.47Å; E281-F283 VanDerWaalsContact O-N 3.12Å
284N41Very low41.9Very low109 Ų109141.6 Ų141.658%0.58379%0.788SS**  trans-94.6114.7177-173.8-0.4000109A282 N286A282-N284 PolarHBondContact O-N 3.23Å; N284-N286 PolarHBondContact ND2-ND2 2.85Å; N284-N286 PolarHBondContact O-N 2.96Å; N284-N286 PolarHBondContact OD1-N 3.44Å; N284-N286 PolarHBondContact OD1-ND2 3.22Å; N284-N286 PolarHBondContact OD1-OD1 3.42Å; N284-N286 VanDerWaalsContact OD1-OD1 3.14Å
285W42.5Very low41.3Very low219 Ų219146.5 Ų146.583%0.8380%0.8SS**  trans-77.838.6176.1-74.491.3000112.7I287W285-I287 PolarHBondContact O-N 3.45Å
286N38.5Very low40.9Very low120 Ų120143.5 Ų143.564%0.64280%0.797SS**  trans-75.597.8175.1-83.6-4.8000109.4N284 V288N284-N286 PolarHBondContact ND2-ND2 2.85Å; N284-N286 PolarHBondContact O-N 2.96Å; N284-N286 PolarHBondContact OD1-N 3.44Å; N284-N286 PolarHBondContact OD1-ND2 3.22Å; N284-N286 PolarHBondContact OD1-OD1 3.42Å; N284-N286 VanDerWaalsContact OD1-OD1 3.14Å; N286-V288 PolarHBondContact O-N 3.48Å; N286-V288 VanDerWaalsContact O-N 3.1Å
287I37.7Very low40.8Very low156 Ų156143.1 Ų143.180%0.879%0.791SS**  trans-50.2109.1153.7-77.7165.2000107W285 E289W285-I287 PolarHBondContact O-N 3.45Å; I287-E289 PolarHBondContact O-N 2.78Å
288V37.3Very low40.7Very low115 Ų115142.4 Ų142.470%0.69778%0.782SS**  trans-72.8105.8169165.40000106.9N286 S290N286-V288 PolarHBondContact O-N 3.48Å; N286-V288 VanDerWaalsContact O-N 3.1Å; V288-S290 VanDerWaalsContact CG1-OG 3.23Å; V288-S290 WeakPolarHBondContact CG1-OG 3.32Å; V288-S290 PolarHBondContact O-N 3.14Å
289E41.8Very low40.1Very low183 Ų183140.5 Ų140.586%0.85578%0.776SS**  trans-65.7114.2153.9-70.4179.7164.300107.3I287I287-E289 PolarHBondContact O-N 2.78Å
290S43Very low39.9Very low104 Ų104141.2 Ų141.273%0.72777%0.774SS**  trans-147.491.8165.3-72.10000107.3V288V288-S290 VanDerWaalsContact CG1-OG 3.23Å; V288-S290 WeakPolarHBondContact CG1-OG 3.32Å; V288-S290 PolarHBondContact O-N 3.14Å
291E41.7Very low39.8Very low189 Ų189144.1 Ų144.188%0.88378%0.777SS**  trans-106.6141.9168-79.7-168.4153.400110.9
292S36.4Very low39.8Very low116 Ų116140.9 Ų140.981%0.81177%0.774SS**  trans79.3127.9177.893.10000114.7
293P34.1Very low39.8Very low125 Ų125146.4 Ų146.481%0.81278%0.779SS**  cis-138.5173.548.536.6-17.5000115.6
294A33.6Very low40.4Very low94 Ų94144 Ų14478%0.77778%0.779SS**  trans103.5111.1160.500000117.1
295Q34.1Very low40.7Very low201 Ų201142.5 Ų142.594%0.93979%0.789SS**  trans-141.9116134.2-74.6-160-55.800108.7
296A36.9Very low41.3Very low87 Ų87137.9 Ų137.972%0.71979%0.785SS**  -165.9128.6124.600000108.8
297Q40.1Very low42.5Very low164 Ų164141.5 Ų141.577%0.76680%0.795SS**  trans79.5136.3164-47.8-170.4-71.200116.8
298E40.9Very low44Very low141 Ų141143.4 Ų143.466%0.65980%0.798SS**  cis-171.4133.4-13.3-110.3154.6-137.100103.5
299D41.8Very low45.4Very low141 Ų141143.6 Ų143.675%0.75480%0.795SS**  trans67.2152.1149.5-52.2-32.5000123.7
300E41.8Very low47Very low175 Ų175142.3 Ų142.382%0.81879%0.792SS**  trans95.780.4166.1-56.1-72.4145.800119.3
301V42.6Very low48.1Very low136 Ų136145 Ų14582%0.82479%0.791SS**  trans22.1115.2132.9-176.80000119.1
302S43.4Very low49.9Very low111 Ų111144.2 Ų144.278%0.77679%0.792SS**  trans-155.4137.9136.252.70000111.3
303K46.1Very low52.1Low214 Ų214149.8 Ų149.893%0.9380%0.795SS**  trans-94.2103.2-163.5-163.7-179.8-171.4179.50109
304V52.5Low54.4Low125 Ų125149.3 Ų149.376%0.75879%0.785SS**  trans-108.3116.2175.3174.20000109.2T306V304-T306 PolarHBondContact O-N 3.48Å
305G48.6Very low56.9Low77 Ų77148.3 Ų148.379%0.79477%0.767SS**  trans-68.3114.3179.600000111.4
306T54.4Low59.4Low122 Ų122147.1 Ų147.175%0.74876%0.755SS**  trans-86.9121.8172.846.90000109.7V304 K308V304-T306 PolarHBondContact O-N 3.48Å; T306-K308 PolarHBondContact O-N 2.86Å
307K64.5Low61.9Low195 Ų195150.1 Ų150.185%0.84875%0.754SS**  trans-56.7121.4167.4-68.2175.7179.6175.60107.6D309K307-D309 VanDerWaalsContact C-N 3.29Å; K307-D309 PolarHBondContact O-N 2.86Å
308K68.4Low64.1Low197 Ų197148.3 Ų148.386%0.85775%0.745SS**  trans-74.984177-64.9174.4-176.6170.20108.3T306 I310T306-K308 PolarHBondContact O-N 2.86Å; K308-I310 PolarHBondContact O-N 2.81Å
309D67.2Low66.1Low118 Ų118144.4 Ų144.463%0.63173%0.731SS**  trans-62.6119.4161.8-77.3-20.8000107.3K307 F311K307-D309 VanDerWaalsContact C-N 3.29Å; K307-D309 PolarHBondContact O-N 2.86Å; D309-F311 HydrophobicContact CB-CD2 3.39Å; D309-F311 HydrophobicContact CB-CE2 3.28Å; D309-F311 HydrophobicContact CB-CG 4.49Å; D309-F311 HydrophobicContact CB-CZ 4.3Å; D309-F311 PolarHBondContact O-N 3.39Å; D309-F311 WeakPolarHBondContact OD2-CE2 3.49Å
310I74.8Confident68.1Low156 Ų156143.1 Ų143.180%0.872%0.723SS**  trans-74.570.6176.5-51.4169.6000107.3K308 L312K308-I310 PolarHBondContact O-N 2.81Å; I310-L312 PolarHBondContact O-N 3.39Å
311F66.3Low70.2Confident161 Ų161139.4 Ų139.471%0.70671%0.713SS**  trans-79.5104.5164.9-72.9-72.9000107.5D309 R313D309-F311 HydrophobicContact CB-CD2 3.39Å; D309-F311 HydrophobicContact CB-CE2 3.28Å; D309-F311 HydrophobicContact CB-CG 4.49Å; D309-F311 HydrophobicContact CB-CZ 4.3Å; D309-F311 PolarHBondContact O-N 3.39Å; D309-F311 WeakPolarHBondContact OD2-CE2 3.49Å; F311-R313 PolarHBondContact O-N 2.84Å
312L79.9Confident72.2Confident172 Ų172135.6 Ų135.690%0.90170%0.695SS**  trans-68.879.3164.2-70.8166.6000108.3I310I310-L312 PolarHBondContact O-N 3.39Å
313R81Confident73.9Confident233 Ų233138 Ų13888%0.87969%0.688SS**  trans-83111.3163.1-100.1175.379.7-179.13.9107.7F311 N315F311-R313 PolarHBondContact O-N 2.84Å; R313-N315 PolarHBondContact O-N 3.35Å
314L83.1Confident75.4Confident115 Ų115131.9 Ų131.960%0.60268%0.677SS**  trans-66.5121.4167.5-152.789000107.5Y316 V319L314-Y316 WeakPolarHBondContact O-CD2 3.44Å; L314-Y316 PolarHBondContact O-N 3.01Å; L314-V319 HydrophobicContact CD2-CG2 3.81Å; L314-V319 HydrophobicContact CG-CG2 4.02Å
315N86.2Confident76.4Confident73 Ų73130.6 Ų130.639%0.3967%0.673SS.*  trans-74.197.5173.4-171.8-11.1000108.6R313 E317 E318 V319R313-N315 PolarHBondContact O-N 3.35Å; N315-E317 PolarHBondContact O-N 3.08Å; N315-E317 PolarHBondContact OD1-N 3.38Å; N315-E318 HydrophobicContact CB-CB 4.07Å; N315-E318 HydrophobicContact CB-CG 4.23Å; N315-E318 VanDerWaalsContact ND2-CD 3.33Å; N315-E318 WeakPolarHBondContact ND2-CG 3.32Å; N315-E318 PolarHBondContact ND2-OE1 3.17Å; N315-E318 PolarHBondContact O-N 3.38Å; N315-V319 WeakPolarHBondContact O-CG2 3.39Å; N315-V319 PolarHBondContact O-N 3.3Å; N315-V319 VanDerWaalsContact O-N 3.1Å
316Y87.7Confident77.3Confident176 Ų176133.6 Ų133.669%0.6967%0.667SS**Hα-helixtrans-55.9-36.1-178.1-64.5-83.9000112.1L314 V319 I320L314-Y316 WeakPolarHBondContact O-CD2 3.44Å; L314-Y316 PolarHBondContact O-N 3.01Å; Y316-V319 PolarHBondContact O-N 3.07Å; Y316-I320 WeakPolarHBondContact O-CB 3.38Å; Y316-I320 WeakPolarHBondContact O-CD1 3.41Å; Y316-I320 WeakPolarHBondContact O-CG1 3.48Å; Y316-I320 PolarHBondContact O-N 3.31Å
317E88.6Confident78Confident150 Ų150131 Ų13170%0.70166%0.664SS**Hα-helixtrans-68.5-41.1-179.6-60.1-168.7175.700112.2N315 I320 T321N315-E317 PolarHBondContact O-N 3.08Å; N315-E317 PolarHBondContact OD1-N 3.38Å; E317-I320 PolarHBondContact O-N 2.97Å; E317-T321 WeakPolarHBondContact O-CB 3.09Å; E317-T321 VanDerWaalsContact O-CG2 3.27Å; E317-T321 WeakPolarHBondContact O-CG2 3.08Å; E317-T321 PolarHBondContact O-N 3.06Å; E317-T321 PolarHBondContact O-OG1 3.41Å
318E86.2Confident78.2Confident126 Ų126123.7 Ų123.759%0.58964%0.638SS**Hα-helixtrans-65-41174.4-79.9175.5-147.900111.8N315 T321 A322N315-E318 HydrophobicContact CB-CB 4.07Å; N315-E318 HydrophobicContact CB-CG 4.23Å; N315-E318 VanDerWaalsContact ND2-CD 3.33Å; N315-E318 WeakPolarHBondContact ND2-CG 3.32Å; N315-E318 PolarHBondContact ND2-OE1 3.17Å; N315-E318 PolarHBondContact O-N 3.38Å; E318-T321 WeakPolarHBondContact CA-OG1 3.34Å; E318-T321 PolarHBondContact O-N 2.88Å; E318-T321 PolarHBondContact O-OG1 3.05Å; E318-A322 VanDerWaalsContact O-CB 3.23Å; E318-A322 WeakPolarHBondContact O-CB 3.49Å; E318-A322 PolarHBondContact O-N 3.27Å
319V83.4Confident78Confident59 Ų59118.4 Ų118.436%0.35862%0.623SS.*Hα-helixtrans-63.6-44.7176.6174.70000110.6L314 N315 Y316 W323L314-V319 HydrophobicContact CD2-CG2 3.81Å; L314-V319 HydrophobicContact CG-CG2 4.02Å; N315-V319 WeakPolarHBondContact O-CG2 3.39Å; N315-V319 PolarHBondContact O-N 3.3Å; N315-V319 VanDerWaalsContact O-N 3.1Å; Y316-V319 PolarHBondContact O-N 3.07Å; V319-W323 VanDerWaalsContact O-CB 3.31Å; V319-W323 WeakPolarHBondContact O-CB 3.35Å; V319-W323 PolarHBondContact O-N 3.03Å
320I82.7Confident78Confident115 Ų115118.3 Ų118.359%0.5961%0.614SS**Hα-helixtrans-65-44.4178.6-69.5164.8000111Y316 E317 W323 A324Y316-I320 WeakPolarHBondContact O-CB 3.38Å; Y316-I320 WeakPolarHBondContact O-CD1 3.41Å; Y316-I320 WeakPolarHBondContact O-CG1 3.48Å; Y316-I320 PolarHBondContact O-N 3.31Å; E317-I320 PolarHBondContact O-N 2.97Å; I320-W323 PolarHBondContact O-N 2.84Å; I320-A324 WeakPolarHBondContact O-CB 3.21Å; I320-A324 PolarHBondContact O-N 3.22Å
321T86.3Confident77.7Confident97 Ų97117.7 Ų117.760%0.59562%0.618SS**Hα-helixtrans-67.9-39.5179.650.70000112.5E317 E318 A324E317-T321 WeakPolarHBondContact O-CB 3.09Å; E317-T321 VanDerWaalsContact O-CG2 3.27Å; E317-T321 WeakPolarHBondContact O-CG2 3.08Å; E317-T321 PolarHBondContact O-N 3.06Å; E317-T321 PolarHBondContact O-OG1 3.41Å; E318-T321 WeakPolarHBondContact CA-OG1 3.34Å; E318-T321 PolarHBondContact O-N 2.88Å; E318-T321 PolarHBondContact O-OG1 3.05Å; T321-A324 PolarHBondContact O-N 2.87Å
322A84.1Confident77.8Confident56 Ų56116.5 Ų116.546%0.46362%0.619SS.*Hα-helixtrans-63.9-42.6173.600000111.6E318 S325E318-A322 VanDerWaalsContact O-CB 3.23Å; E318-A322 WeakPolarHBondContact O-CB 3.49Å; E318-A322 PolarHBondContact O-N 3.27Å; A322-S325 PolarHBondContact O-OG 2.94Å
323W80.6Confident77.2Confident161 Ų161110.7 Ų110.761%0.6160%0.6SS**Hα-helixtrans-72.5-26.2176.8-86.337.3000113.5V319 I320 S325 Q326 P329V319-W323 VanDerWaalsContact O-CB 3.31Å; V319-W323 WeakPolarHBondContact O-CB 3.35Å; V319-W323 PolarHBondContact O-N 3.03Å; I320-W323 PolarHBondContact O-N 2.84Å; W323-S325 PolarHBondContact O-N 3.24Å; W323-S325 VanDerWaalsContact O-N 3.13Å; W323-Q326 CarbonylContact O-C 3.56Å; W323-Q326 PolarHBondContact O-N 3.46Å; W323-P329 HydrophobicContact CE3-CB 4.4Å; W323-P329 HydrophobicContact CE3-CG 3.56Å; W323-P329 HydrophobicContact CH2-CB 4.26Å; W323-P329 HydrophobicContact CH2-CG 4.26Å; W323-P329 HydrophobicContact CZ3-CB 3.76Å; W323-P329 HydrophobicContact CZ3-CG 3.32Å
324A76.5Confident76.3Confident85 Ų85104.5 Ų104.570%0.70259%0.588SS**Hα-helixtrans-60-26.4177.900000113.1I320 T321I320-A324 WeakPolarHBondContact O-CB 3.21Å; I320-A324 PolarHBondContact O-N 3.22Å; T321-A324 PolarHBondContact O-N 2.87Å
325S74.1Confident75.6Confident98 Ų98102.8 Ų102.869%0.68559%0.585SS**Hα-helixtrans-83.6-23.4175.371.80000114A322 W323 G327A322-S325 PolarHBondContact O-OG 2.94Å; W323-S325 PolarHBondContact O-N 3.24Å; W323-S325 VanDerWaalsContact O-N 3.13Å; S325-G327 PolarHBondContact O-N 3.1Å
326Q66.9Low74.5Confident141 Ų141102 Ų10266%0.65958%0.584SS**SBendtrans-92.998.7178.2-63.5-77.8-8.900106.5W323W323-Q326 CarbonylContact O-C 3.56Å; W323-Q326 PolarHBondContact O-N 3.46Å
327G69.4Low73.3Confident67 Ų67102.5 Ų102.569%0.69159%0.589SS**  trans-44.3150.5-17800000113.1S325S325-G327 PolarHBondContact O-N 3.1Å
328S69.2Low71.4Confident42 Ų42101.4 Ų101.429%0.29458%0.582SS.*  trans-3113.9179.1-166.20000114.7W330 G333S328-W330 PolarHBondContact O-N 3.25Å; S328-G333 VanDerWaalsContact CB-O 3.3Å; S328-G333 WeakPolarHBondContact CB-O 3.3Å; S328-G333 PolarHBondContact OG-O 2.91Å
329P64.7Low69.4Low85 Ų85104.4 Ų104.455%0.55259%0.594SS**SBendtrans-56-11.3-177.4-24.432.3000114.9W323W323-P329 HydrophobicContact CE3-CB 4.4Å; W323-P329 HydrophobicContact CE3-CG 3.56Å; W323-P329 HydrophobicContact CH2-CB 4.26Å; W323-P329 HydrophobicContact CH2-CG 4.26Å; W323-P329 HydrophobicContact CZ3-CB 3.76Å; W323-P329 HydrophobicContact CZ3-CG 3.32Å
330W67.4Low67.8Low116 Ų116109.1 Ų109.144%0.43962%0.617SS.*SBendtrans-89128.6-178.7-49.998.1000109.8S328 N332 G333 P336 F338S328-W330 PolarHBondContact O-N 3.25Å; W330-N332 PolarHBondContact O-N 3.37Å; W330-G333 PolarHBondContact O-N 2.97Å; W330-P336 VanDerWaalsContact CD2-CD 3.46Å; W330-P336 HydrophobicContact CD2-CG 4.21Å; W330-P336 HydrophobicContact CE3-CG 3.99Å; W330-P336 HydrophobicContact CH2-CG 3.75Å; W330-P336 VanDerWaalsContact CZ2-CD 3.45Å; W330-P336 HydrophobicContact CZ2-CG 3.98Å; W330-P336 HydrophobicContact CZ3-CG 3.76Å; W330-F338 HydrophobicContact CH2-CE2 4.44Å
331T67.4Low65.9Low144 Ų144108.2 Ų108.288%0.88362%0.621SS**THydrogen-bonded Turntrans-55.5-18.8-178.255.90000114.4
332N69.5Low64.2Low136 Ų136110.6 Ų110.673%0.72763%0.63SS**THydrogen-bonded Turntrans-104.38.2-178.1-69.410.7000113.7W330 T334W330-N332 PolarHBondContact O-N 3.37Å; N332-T334 PolarHBondContact O-N 3.47Å
333G66.3Low62.3Low49 Ų49115.7 Ų115.751%0.50565%0.649SS.*SBendtrans75.5-19.9178.200000115S328 W330S328-G333 VanDerWaalsContact CB-O 3.3Å; S328-G333 WeakPolarHBondContact CB-O 3.3Å; S328-G333 PolarHBondContact OG-O 2.91Å; W330-G333 PolarHBondContact O-N 2.97Å
334T61.1Low60.6Low103 Ų103113.8 Ų113.863%0.63266%0.659SS**SBendtrans-103.9123.7177.434.50000111.9N332N332-T334 PolarHBondContact O-N 3.47Å
335P69.5Low58.9Low80 Ų80118.5 Ų118.552%0.51966%0.659SS.*PPolyproline II helixtrans-58.9142.2165.8-19.531.1000111K337P335-K337 PolarHBondContact O-N 3.49Å
336P63.8Low57.4Low57 Ų57121 Ų12137%0.3766%0.664SS.*PPolyproline II helixtrans-56.6130.9167.1-14.725.8000108.1W330 F338W330-P336 VanDerWaalsContact CD2-CD 3.46Å; W330-P336 HydrophobicContact CD2-CG 4.21Å; W330-P336 HydrophobicContact CE3-CG 3.99Å; W330-P336 HydrophobicContact CH2-CG 3.75Å; W330-P336 VanDerWaalsContact CZ2-CD 3.45Å; W330-P336 HydrophobicContact CZ2-CG 3.98Å; W330-P336 HydrophobicContact CZ3-CG 3.76Å; P336-F338 HydrophobicContact CB-CD2 4.1Å; P336-F338 HydrophobicContact CB-CE2 3.7Å; P336-F338 HydrophobicContact CB-CZ 4.08Å; P336-F338 HydrophobicContact CG-CE2 3.8Å; P336-F338 HydrophobicContact CG-CZ 4.21Å; P336-F338 WeakPolarHBondContact O-CD2 3.18Å; P336-F338 PolarHBondContact O-N 3.48Å
337K62.6Low56.3Low186 Ų186120.9 Ų120.981%0.80967%0.668SS**  trans-68.287.3170.1-66.6177.5-177.4175.20107.2P335 F339P335-K337 PolarHBondContact O-N 3.49Å; K337-F339 PolarHBondContact O-N 2.91Å; K337-F339 VanDerWaalsContact O-N 3.15Å
338F48.4Very low55.2Low127 Ų127127 Ų12756%0.55768%0.676SS**  trans-70.1107.6165.7-70.8-76000106.5W330 P336 N340 W345W330-F338 HydrophobicContact CH2-CE2 4.44Å; P336-F338 HydrophobicContact CB-CD2 4.1Å; P336-F338 HydrophobicContact CB-CE2 3.7Å; P336-F338 HydrophobicContact CB-CZ 4.08Å; P336-F338 HydrophobicContact CG-CE2 3.8Å; P336-F338 HydrophobicContact CG-CZ 4.21Å; P336-F338 WeakPolarHBondContact O-CD2 3.18Å; P336-F338 PolarHBondContact O-N 3.48Å; F338-N340 PolarHBondContact O-N 3Å; F338-W345 AromaticContact CE1-CH2 3.93Å; F338-W345 HydrophobicContact CE1-CH2 3.93Å; F338-W345 HydrophobicContact CE1-CZ2 4.04Å; F338-W345 HydrophobicContact CE1-CZ3 4.5Å; F338-W345 HydrophobicContact CZ-CH2 4.05Å; F338-W345 HydrophobicContact CZ-CZ2 4.38Å
339F43.5Very low54.4Low189 Ų189132.4 Ų132.483%0.82970%0.7SS**  trans-61.4130.4172.4-76.9-90.1000108.5K337K337-F339 PolarHBondContact O-N 2.91Å; K337-F339 VanDerWaalsContact O-N 3.15Å
340N48.9Very low53.4Low158 Ų158131.9 Ų131.985%0.84571%0.71SS**SBendtrans-59.7144.7171.9-74.3-48.2000110.7F338F338-N340 PolarHBondContact O-N 3Å
341S44.6Very low52.3Low95 Ų95131.6 Ų131.666%0.66473%0.726SS**SBendtrans70113164.1-124.40000117.2D343S341-D343 PolarHBondContact O-N 3.44Å
342D49Very low51Low148 Ų148132.7 Ų132.779%0.79173%0.726SS**SBendtrans81.1-4.3147.9-49-41.9000121.1
343D45Very low49.3Very low163 Ų163130.4 Ų130.487%0.87274%0.735SS**  trans-111.976.6170.3-68.9-40.8000112.2S341 W345S341-D343 PolarHBondContact O-N 3.44Å; D343-W345 PolarHBondContact O-N 3.23Å; D343-W345 VanDerWaalsContact O-N 3.09Å
344C43.9Very low48Very low120 Ų120131.4 Ų131.481%0.81175%0.745SS**  trans-72.196.4-178.9-166.70000111.5
345W40.8Very low46.8Very low184 Ų184133.8 Ų133.870%0.69775%0.754SS**SBendtrans67.562.4159.8-65.387.8000119F338 D343 F348F338-W345 AromaticContact CE1-CH2 3.93Å; F338-W345 HydrophobicContact CE1-CH2 3.93Å; F338-W345 HydrophobicContact CE1-CZ2 4.04Å; F338-W345 HydrophobicContact CE1-CZ3 4.5Å; F338-W345 HydrophobicContact CZ-CH2 4.05Å; F338-W345 HydrophobicContact CZ-CZ2 4.38Å; D343-W345 PolarHBondContact O-N 3.23Å; D343-W345 VanDerWaalsContact O-N 3.09Å; W345-F348 HydrophobicContact CZ3-CE2 4.21Å
346L42.9Very low45.9Very low151 Ų151136.4 Ų136.479%0.79177%0.768SS**  trans-130.797.1160.4-167.767.7000109.1
347D45.1Very low44.8Very low139 Ų139140.9 Ų140.974%0.74378%0.784SS**  trans166.776.2154.9-83-19.3000111.6
348F46.2Very low43.9Very low196 Ų196138.2 Ų138.286%0.8679%0.788SS**  trans-107.425.7156.9-104.7-87.3000111.1W345 G350W345-F348 HydrophobicContact CZ3-CE2 4.21Å; F348-G350 PolarHBondContact O-N 3.26Å; F348-G350 VanDerWaalsContact O-N 3.1Å
349L51.9Low43.3Very low155 Ų155136.3 Ų136.381%0.81279%0.789SS**  trans-82.481.9174.2-84146.6000110.1
350G43Very low43.4Very low73 Ų73136.8 Ų136.875%0.75379%0.786SS**  trans-104.996.1159.200000109.6F348F348-G350 PolarHBondContact O-N 3.26Å; F348-G350 VanDerWaalsContact O-N 3.1Å
351S44.8Very low43Very low111 Ų111133 Ų13378%0.77679%0.785SS**  trans-37.9132.6173-67.70000115
352N40Very low42.6Very low167 Ų167132.9 Ų132.989%0.89379%0.79SS**  -155.4129.9127.7-116.116.9000111
353G33.7Very low42.1Very low88 Ų88132.9 Ų132.991%0.90780%0.795SS**  trans-61.9138.1-168.800000114.8
354G38.4Very low41.5Very low69 Ų69128.8 Ų128.871%0.71179%0.791SS**  trans-176.898.1174.400000110V356G354-V356 PolarHBondContact O-N 3.1Å; G354-V356 VanDerWaalsContact O-N 3.07Å
355N36.9Very low41.5Very low153 Ų153127.3 Ų127.382%0.81878%0.782SS**  trans-55.2101.4-178.3-171.16.1000112
356V50.1Low41.5Very low135 Ų135127 Ų12782%0.81879%0.793SS**  trans-124.293.5168.8-177.40000108.9G354 C358G354-V356 PolarHBondContact O-N 3.1Å; G354-V356 VanDerWaalsContact O-N 3.07Å; V356-C358 PolarHBondContact O-N 3.38Å
357Q42Very low41.6Very low151 Ų151129 Ų12971%0.70679%0.79SS**  trans-53.4106.2167.8-171.798.811.100110.8C359Q357-C359 WeakPolarHBondContact CG-SG 3.47Å; Q357-C359 PolarHBondContact O-N 3.03Å
358C42.5Very low41.5Very low131 Ų131129.7 Ų129.789%0.88580%0.799SS**  trans-89.693.7167.6-1690000109.1V356V356-C358 PolarHBondContact O-N 3.38Å
359C35.3Very low41.6Very low86 Ų86126.9 Ų126.958%0.58179%0.788SS**  trans-86.8107.2170.7-70.10000109.5Q357Q357-C359 WeakPolarHBondContact CG-SG 3.47Å; Q357-C359 PolarHBondContact O-N 3.03Å
360Y47Very low41.6Very low199 Ų199124.6 Ų124.678%0.7879%0.792SS**  trans-160.5116.2133.8-104.5-83.9000106.7
361G39.7Very low42.4Very low80 Ų80124.8 Ų124.883%0.82578%0.776SS**  trans-60.6158.8-177.100000112.8
362A37.4Very low43.8Very low91 Ų91121.8 Ų121.875%0.75276%0.762SS**  cis-150135.729.300000111.8
363V37.7Very low46Very low148 Ų148115.9 Ų115.990%0.89774%0.741SS**  trans43.4104.9133.7-166.80000117.1
364G33.1Very low48.7Very low77 Ų77119.9 Ų119.979%0.79473%0.729SS**  trans93.485.2143.400000116.6
365S43Very low51.1Low90 Ų90120.8 Ų120.863%0.62971%0.714SS**  -171.781.3118.7-149.30000110.1R367S365-R367 PolarHBondContact O-N 2.92Å
366L41.5Very low53.6Low177 Ų177115.8 Ų115.893%0.92769%0.694SS**  trans-70.681.5149.9176.371000106.3
367R45.2Very low55.7Low194 Ų194117.8 Ų117.873%0.73269%0.687SS**SBendtrans-152.1133.8164.3-68.3-164.8-172.8-148.9-0.2109.1S365 H369S365-R367 PolarHBondContact O-N 2.92Å; R367-H369 PolarHBondContact O-N 3.4Å
368V42.5Very low58.2Low152 Ų152113.3 Ų113.392%0.92167%0.67SS**SBendtrans-4683.6158.4-179.90000109.9
369H47.9Very low60.6Low137 Ų137110.4 Ų110.463%0.63465%0.651SS**  trans-137.930.6175.4-86.1-61.2000110.6R367 D371R367-H369 PolarHBondContact O-N 3.4Å; H369-D371 PolarHBondContact O-N 3.19Å
370A51.4Low63.5Low108 Ų108115.2 Ų115.289%0.89366%0.657SS**THydrogen-bonded Turntrans-80.717.3-159.700000116.3
371D60.6Low65.8Low77 Ų77111.2 Ų111.241%0.41264%0.641SS.*THydrogen-bonded Turntrans-127.6-35.1167.8-146.2-8.6000112.6H369 G373 R374 E375H369-D371 PolarHBondContact O-N 3.19Å; D371-G373 PolarHBondContact O-N 3Å; D371-R374 WeakPolarHBondContact O-CA 3.32Å; D371-R374 VanDerWaalsContact O-CB 3.3Å; D371-R374 WeakPolarHBondContact O-CB 3.41Å; D371-R374 PolarHBondContact O-N 3.16Å; D371-E375 VanDerWaalsContact CB-OE1 3.27Å; D371-E375 WeakPolarHBondContact CB-OE1 3.49Å; D371-E375 PolarHBondContact O-N 2.87Å; D371-E375 VanDerWaalsContact OD2-OE1 3.09Å
372G73.7Confident68.5Low47 Ų47115.4 Ų115.449%0.48563%0.632SS.*Hα-helixtrans-47.4-37.8-173.100000116.1E375 A376G372-E375 WeakPolarHBondContact CA-OE2 3.49Å; G372-E375 PolarHBondContact N-OE2 3.19Å; G372-A376 WeakPolarHBondContact O-CB 3.44Å; G372-A376 PolarHBondContact O-N 3.22Å
373G86.4Confident71.4Confident44 Ų44116 Ų11645%0.45462%0.619SS.*Hα-helixtrans-73.9-29.6176.700000114.4D371 R377D371-G373 PolarHBondContact O-N 3Å; G373-R377 VanDerWaalsContact O-CG 3.26Å; G373-R377 WeakPolarHBondContact O-CG 3.31Å; G373-R377 PolarHBondContact O-N 3.17Å; G373-R377 PolarHBondContact O-NE 3.39Å
374R89.9Confident74.2Confident172 Ų172116.1 Ų116.165%0.64961%0.608SS**Hα-helixtrans-72-48.7173.3176.6-176.5-113-158.3-1.1110D371 A376 R377 V378D371-R374 WeakPolarHBondContact O-CA 3.32Å; D371-R374 VanDerWaalsContact O-CB 3.3Å; D371-R374 WeakPolarHBondContact O-CB 3.41Å; D371-R374 PolarHBondContact O-N 3.16Å; R374-A376 VanDerWaalsContact C-N 3.34Å; R374-A376 PolarHBondContact O-N 3.37Å; R374-R377 WeakPolarHBondContact O-CB 3.27Å; R374-R377 PolarHBondContact O-N 2.81Å; R374-R377 VanDerWaalsContact O-N 3.07Å; R374-V378 HydrophobicContact CG-CG2 4.38Å; R374-V378 WeakPolarHBondContact O-CG2 3.44Å; R374-V378 PolarHBondContact O-N 2.87Å
375E88.9Confident77.2Confident88 Ų88119.3 Ų119.341%0.41160%0.596SS.*Hα-helixtrans-65.1-40.1-177.6-60.5119155.500111.6D371 G372 R377 V378 S379D371-E375 VanDerWaalsContact CB-OE1 3.27Å; D371-E375 WeakPolarHBondContact CB-OE1 3.49Å; D371-E375 PolarHBondContact O-N 2.87Å; D371-E375 VanDerWaalsContact OD2-OE1 3.09Å; G372-E375 WeakPolarHBondContact CA-OE2 3.49Å; G372-E375 PolarHBondContact N-OE2 3.19Å; E375-R377 VanDerWaalsContact C-N 3.26Å; E375-R377 PolarHBondContact O-N 2.85Å; E375-V378 PolarHBondContact O-N 3.03Å; E375-V378 VanDerWaalsContact O-N 3.17Å; E375-S379 WeakPolarHBondContact O-CB 3.36Å; E375-S379 PolarHBondContact O-N 3.13Å; E375-S379 PolarHBondContact O-OG 3.17Å
376A90.9Very high79.7Confident47 Ų47123.9 Ų123.939%0.38860%0.599SS.*Hα-helixtrans-58.6-37.7173.100000112.5G372 R374 R380G372-A376 WeakPolarHBondContact O-CB 3.44Å; G372-A376 PolarHBondContact O-N 3.22Å; R374-A376 VanDerWaalsContact C-N 3.34Å; R374-A376 PolarHBondContact O-N 3.37Å; A376-R380 WeakPolarHBondContact O-CG 3.23Å; A376-R380 PolarHBondContact O-N 3.29Å; A376-R380 VanDerWaalsContact O-N 3.14Å
377R92.3Very high82.2Confident177 Ų177120 Ų12067%0.66858%0.583SS**Hα-helixtrans-69.7-42.2175.5-75.3179.2-73.9-177.9-1.6111.9G373 R374 E375 Y381G373-R377 VanDerWaalsContact O-CG 3.26Å; G373-R377 WeakPolarHBondContact O-CG 3.31Å; G373-R377 PolarHBondContact O-N 3.17Å; G373-R377 PolarHBondContact O-NE 3.39Å; R374-R377 WeakPolarHBondContact O-CB 3.27Å; R374-R377 PolarHBondContact O-N 2.81Å; R374-R377 VanDerWaalsContact O-N 3.07Å; E375-R377 VanDerWaalsContact C-N 3.26Å; E375-R377 PolarHBondContact O-N 2.85Å; R377-Y381 WeakPolarHBondContact O-CB 3.4Å; R377-Y381 PolarHBondContact O-N 2.91Å
378V94.5Very high84.7Confident58 Ų58115.9 Ų115.935%0.35257%0.567SS.*Hα-helixtrans-65.3-41.1177.6173.40000111R374 E375 Y381 R382R374-V378 HydrophobicContact CG-CG2 4.38Å; R374-V378 WeakPolarHBondContact O-CG2 3.44Å; R374-V378 PolarHBondContact O-N 2.87Å; E375-V378 PolarHBondContact O-N 3.03Å; E375-V378 VanDerWaalsContact O-N 3.17Å; V378-Y381 WeakPolarHBondContact O-CB 3.17Å; V378-Y381 PolarHBondContact O-N 2.93Å; V378-R382 HydrophobicContact CG1-CG 4.41Å; V378-R382 WeakPolarHBondContact O-CG 3.39Å; V378-R382 PolarHBondContact O-N 2.79Å
379S93.2Very high87.1Confident69 Ų69114.6 Ų114.648%0.48356%0.555SS.*Hα-helixtrans-62.6-48175.8-67.80000112.1E375 Y381 R382 E383E375-S379 WeakPolarHBondContact O-CB 3.36Å; E375-S379 PolarHBondContact O-N 3.13Å; E375-S379 PolarHBondContact O-OG 3.17Å; S379-Y381 VanDerWaalsContact C-N 3.27Å; S379-Y381 PolarHBondContact O-N 2.95Å; S379-R382 PolarHBondContact O-N 2.87Å; S379-E383 WeakPolarHBondContact O-CB 3.16Å; S379-E383 PolarHBondContact O-N 2.9Å
380R96.1Very high89.3Confident188 Ų188117 Ų11771%0.70956%0.563SS**Hα-helixtrans-59.4-37.9173-70.5-174.7-154.5-124.67.1112.1A376 K384A376-R380 WeakPolarHBondContact O-CG 3.23Å; A376-R380 PolarHBondContact O-N 3.29Å; A376-R380 VanDerWaalsContact O-N 3.14Å; R380-K384 WeakPolarHBondContact O-CB 3.4Å; R380-K384 PolarHBondContact O-N 3.07Å
381Y96.9Very high91.4Very high114 Ų114115.7 Ų115.745%0.44755%0.553SS.*Hα-helixtrans-64.3-45.8175.4171.4-93.7000112.2R377 V378 S379 K384 R385R377-Y381 WeakPolarHBondContact O-CB 3.4Å; R377-Y381 PolarHBondContact O-N 2.91Å; V378-Y381 WeakPolarHBondContact O-CB 3.17Å; V378-Y381 PolarHBondContact O-N 2.93Å; S379-Y381 VanDerWaalsContact C-N 3.27Å; S379-Y381 PolarHBondContact O-N 2.95Å; Y381-K384 PolarHBondContact O-N 3.19Å; Y381-R385 WeakPolarHBondContact O-CB 3.4Å; Y381-R385 PolarHBondContact O-N 3.23Å; Y381-R385 PolarHBondContact OH-NH1 3.32Å
382R96.4Very high93.1Very high168 Ų168121.3 Ų121.363%0.63457%0.574SS**Hα-helixtrans-62.1-44.7177.7-72.3176.1180-177.70.8111.1V378 S379 R385 R386V378-R382 HydrophobicContact CG1-CG 4.41Å; V378-R382 WeakPolarHBondContact O-CG 3.39Å; V378-R382 PolarHBondContact O-N 2.79Å; S379-R382 PolarHBondContact O-N 2.87Å; R382-R385 WeakPolarHBondContact O-CB 3.37Å; R382-R385 PolarHBondContact O-N 3.1Å; R382-R386 PolarHBondContact O-N 2.98Å
383E96.4Very high94.1Very high105 Ų105126.4 Ų126.449%0.49158%0.582SS.*Hα-helixtrans-63.9-44.7175.2-179.4169.7-14900112.8S379 R385 R386 T387S379-E383 WeakPolarHBondContact O-CB 3.16Å; S379-E383 PolarHBondContact O-N 2.9Å; E383-R385 PolarHBondContact O-N 2.99Å; E383-R386 PolarHBondContact O-N 3.49Å; E383-T387 PolarHBondContact O-N 3.02Å; E383-T387 VanDerWaalsContact O-N 3.16Å; E383-T387 PolarHBondContact O-OG1 2.96Å
384K97.4Very high94.5Very high149 Ų149127.5 Ų127.565%0.64858%0.577SS**Hα-helixtrans-62.4-29.3173.2-174.3175-178.6179.20112.1R380 Y381 T387 R388R380-K384 WeakPolarHBondContact O-CB 3.4Å; R380-K384 PolarHBondContact O-N 3.07Å; Y381-K384 PolarHBondContact O-N 3.19Å; K384-T387 PolarHBondContact O-OG1 3.43Å; K384-R388 WeakPolarHBondContact O-CG 3.16Å
385R96.5Very high94.8Very high145 Ų145128.3 Ų128.355%0.54758%0.58SS.*Hα-helixtrans-73.4-39175.6-168.3174.1-177.6112.62111.8Y381 R382 E383 T387 R388Y381-R385 WeakPolarHBondContact O-CB 3.4Å; Y381-R385 PolarHBondContact O-N 3.23Å; Y381-R385 PolarHBondContact OH-NH1 3.32Å; R382-R385 WeakPolarHBondContact O-CB 3.37Å; R382-R385 PolarHBondContact O-N 3.1Å; E383-R385 PolarHBondContact O-N 2.99Å; R385-T387 VanDerWaalsContact C-N 3.3Å; R385-T387 PolarHBondContact O-N 3.14Å; R385-R388 WeakPolarHBondContact O-CG 3.43Å
386R95.7Very high95.3Very high185 Ų185129.3 Ų129.370%0.69858%0.581SS**Hα-helixtrans-63.3-34.3174.8-71.6-173.2-71110.6-3.7112.8R382 E383R382-R386 PolarHBondContact O-N 2.98Å; E383-R386 PolarHBondContact O-N 3.49Å
387T94.3Very high95.5Very high95 Ų95133.9 Ų133.958%0.58360%0.595SS**THydrogen-bonded Turntrans-95.715.4-17553.80000114.4E383 K384 R385 L389E383-T387 PolarHBondContact O-N 3.02Å; E383-T387 VanDerWaalsContact O-N 3.16Å; E383-T387 PolarHBondContact O-OG1 2.96Å; K384-T387 PolarHBondContact O-OG1 3.43Å; R385-T387 VanDerWaalsContact C-N 3.3Å; R385-T387 PolarHBondContact O-N 3.14Å; T387-L389 PolarHBondContact O-N 2.92Å
388R95.7Very high95.8Very high108 Ų108131.2 Ų131.241%0.40860%0.597SS.*  trans-70.4119.2178.1-65.3-176.5-177.7-173.63.3110.2K384 R385 F390K384-R388 WeakPolarHBondContact O-CG 3.16Å; R385-R388 WeakPolarHBondContact O-CG 3.43Å; R388-F390 HydrophobicContact CB-CD2 4.49Å; R388-F390 HydrophobicContact CB-CE2 3.96Å; R388-F390 HydrophobicContact CB-CZ 4.28Å
389L93.9Very high96Very high125 Ų125136 Ų13665%0.65461%0.609SS**  trans-88.6114.5168-60.9175.3000108.5T387 K393T387-L389 PolarHBondContact O-N 2.92Å; L389-K393 HydrophobicContact CD1-CD 4.12Å
390F93.8Very high96.2Very high187 Ų187137.1 Ų137.182%0.8261%0.605SS**  trans-86.4-21.3174.3-68.9-84.9000112.5R388R388-F390 HydrophobicContact CB-CD2 4.49Å; R388-F390 HydrophobicContact CB-CE2 3.96Å; R388-F390 HydrophobicContact CB-CZ 4.28Å
391A96.3Very high96.2Very high81 Ų81132.5 Ų132.567%0.66959%0.594SS**SBendtrans-66.9147.3173.200000111.2K393A391-K393 PolarHBondContact O-N 3.12Å; A391-K393 VanDerWaalsContact O-N 3.08Å
392K95Very high96.1Very high195 Ų195132.2 Ų132.285%0.84860%0.601SS**  trans-63.7109.9178.2-178.2179.9178.3-179.70110.3
393K95.6Very high96.1Very high154 Ų154125.6 Ų125.667%0.6758%0.581SS**  trans-101.4123.2173.7-174.6170.7-177169.70111.4L389 A391 R395L389-K393 HydrophobicContact CD1-CD 4.12Å; A391-K393 PolarHBondContact O-N 3.12Å; A391-K393 VanDerWaalsContact O-N 3.08Å; K393-R395 PolarHBondContact O-N 3.47Å
394I95Very high96.1Very high67 Ų67125.7 Ų125.734%0.34458%0.582SS.*  trans-89.7108.2176.9-54.6-176.1000108.3K400I394-K400 HydrophobicContact CD1-CD 3.39Å; I394-K400 HydrophobicContact CD1-CG 3.95Å; I394-K400 HydrophobicContact CG2-CB 4.02Å; I394-K400 HydrophobicContact CG2-CD 4.32Å; I394-K400 HydrophobicContact CG2-CG 4.34Å
395R96.5Very high95.9Very high190 Ų190127 Ų12772%0.71759%0.587SS**SBendtrans-85.6-20.1178.2-68.1-167.2-69143.4-4114K393K393-R395 PolarHBondContact O-N 3.47Å
396Y97.7Very high95.8Very high108 Ų108125.9 Ų125.942%0.42458%0.584SS.*  trans-128.683-173.5-59.2-77.2000109.5V398 R399 K400Y396-V398 VanDerWaalsContact C-N 3.34Å; Y396-V398 PolarHBondContact O-N 3.21Å; Y396-R399 PolarHBondContact O-N 3.33Å; Y396-K400 PolarHBondContact O-N 3.07Å
397E97.1Very high95.8Very high144 Ų144119.3 Ų119.367%0.67357%0.565SS**Hα-helixtrans-58.7-45.1-177.6-66.6171.8-173.700111.7R399 K400 L401E397-R399 VanDerWaalsContact C-N 3.26Å; E397-R399 PolarHBondContact O-N 3.17Å; E397-K400 WeakPolarHBondContact O-CA 3.44Å; E397-K400 VanDerWaalsContact O-CB 3.28Å; E397-K400 WeakPolarHBondContact O-CB 3.43Å; E397-K400 PolarHBondContact O-N 3.43Å; E397-L401 WeakPolarHBondContact O-CG 3.49Å; E397-L401 PolarHBondContact O-N 3.41Å
398V98.1Very high95.8Very high120 Ų120121 Ų12173%0.72756%0.56SS**Hα-helixtrans-55.8-39.6177.8-178.90000112.2Y396 N402Y396-V398 VanDerWaalsContact C-N 3.34Å; Y396-V398 PolarHBondContact O-N 3.21Å; V398-N402 WeakPolarHBondContact O-CB 3.23Å; V398-N402 PolarHBondContact O-N 3.14Å
399R97.7Very high95.6Very high159 Ų159122.3 Ų122.360%0.657%0.573SS**Hα-helixtrans-70.9-35.5177.5-64.1-174.4-147.4165.35.4111.8Y396 E397 A403Y396-R399 PolarHBondContact O-N 3.33Å; E397-R399 VanDerWaalsContact C-N 3.26Å; E397-R399 PolarHBondContact O-N 3.17Å; R399-A403 VanDerWaalsContact O-CB 3.23Å; R399-A403 WeakPolarHBondContact O-CB 3.49Å; R399-A403 PolarHBondContact O-N 3.21Å
400K97.3Very high95.7Very high92 Ų92126.2 Ų126.240%0.458%0.584SS.*Hα-helixtrans-61.3-51.6174.8-164.8-147.9-173-147.10110I394 Y396 E397 N402 A403 E404I394-K400 HydrophobicContact CD1-CD 3.39Å; I394-K400 HydrophobicContact CD1-CG 3.95Å; I394-K400 HydrophobicContact CG2-CB 4.02Å; I394-K400 HydrophobicContact CG2-CD 4.32Å; I394-K400 HydrophobicContact CG2-CG 4.34Å; Y396-K400 PolarHBondContact O-N 3.07Å; E397-K400 WeakPolarHBondContact O-CA 3.44Å; E397-K400 VanDerWaalsContact O-CB 3.28Å; E397-K400 WeakPolarHBondContact O-CB 3.43Å; E397-K400 PolarHBondContact O-N 3.43Å; K400-N402 VanDerWaalsContact C-N 3.33Å; K400-N402 PolarHBondContact O-N 2.83Å; K400-A403 CarbonylContact O-C 3.55Å; K400-A403 PolarHBondContact O-N 2.96Å; K400-A403 VanDerWaalsContact O-N 3.12Å; K400-E404 VanDerWaalsContact CD-OE1 3.22Å; K400-E404 WeakPolarHBondContact CD-OE1 3.38Å; K400-E404 WeakPolarHBondContact CE-OE1 3.3Å; K400-E404 WeakPolarHBondContact CG-OE1 3.46Å; K400-E404 IonicContact NZ-OE1 2.81Å; K400-E404 PolarHBondContact NZ-OE1 3.29Å; K400-E404 WeakPolarHBondContact O-CG 3.44Å; K400-E404 PolarHBondContact O-N 2.71Å
401L97Very high95.7Very high92 Ų92119.9 Ų119.948%0.48257%0.572SS.*Hα-helixtrans-60.6-40.2178.8-63.3179.2000112.4E397 K405E397-L401 WeakPolarHBondContact O-CG 3.49Å; E397-L401 PolarHBondContact O-N 3.41Å; L401-K405 VanDerWaalsContact O-CG 3.3Å; L401-K405 WeakPolarHBondContact O-CG 3.26Å; L401-K405 PolarHBondContact O-N 3.01Å; L401-K405 VanDerWaalsContact O-N 3.1Å
402N95.2Very high95.6Very high108 Ų108125.5 Ų125.558%0.57858%0.576SS**Hα-helixtrans-65.9-42.3175.5-169.9-60000111.7V398 K400 K405 R406V398-N402 WeakPolarHBondContact O-CB 3.23Å; V398-N402 PolarHBondContact O-N 3.14Å; K400-N402 VanDerWaalsContact C-N 3.33Å; K400-N402 PolarHBondContact O-N 2.83Å; N402-K405 PolarHBondContact O-N 3.1Å; N402-R406 WeakPolarHBondContact O-CB 3.3Å; N402-R406 PolarHBondContact O-N 3.13Å; N402-R406 VanDerWaalsContact O-N 3.14Å
403A96.2Very high95.6Very high28 Ų28120.3 Ų120.323%0.23155%0.553CS.*Hα-helixtrans-69.1-29178.100000113.8R399 K400 R408 F413R399-A403 VanDerWaalsContact O-CB 3.23Å; R399-A403 WeakPolarHBondContact O-CB 3.49Å; R399-A403 PolarHBondContact O-N 3.21Å; K400-A403 CarbonylContact O-C 3.55Å; K400-A403 PolarHBondContact O-N 2.96Å; K400-A403 VanDerWaalsContact O-N 3.12Å; A403-R408 PolarHBondContact O-NH2 3.01Å; A403-F413 HydrophobicContact CB-CE1 4.44Å; A403-F413 HydrophobicContact CB-CZ 3.93Å; A403-F413 WeakPolarHBondContact O-CE1 3.44Å
404E95.5Very high95.6Very high107 Ų107115.3 Ų115.350%0.554%0.536SS..Hα-helixtrans-71.6-41.7172.4-74.3167.3175.500110.9K400 R406K400-E404 VanDerWaalsContact CD-OE1 3.22Å; K400-E404 WeakPolarHBondContact CD-OE1 3.38Å; K400-E404 WeakPolarHBondContact CE-OE1 3.3Å; K400-E404 WeakPolarHBondContact CG-OE1 3.46Å; K400-E404 IonicContact NZ-OE1 2.81Å; K400-E404 PolarHBondContact NZ-OE1 3.29Å; K400-E404 WeakPolarHBondContact O-CG 3.44Å; K400-E404 PolarHBondContact O-N 2.71Å; E404-R406 VanDerWaalsContact C-N 3.3Å; E404-R406 PolarHBondContact O-N 2.89Å
405K94.5Very high95.4Very high176 Ų176120.7 Ų120.777%0.76556%0.557SS**Hα-helixtrans-72.6-17178.1-70.2177-177.6-1750114.6L401 N402L401-K405 VanDerWaalsContact O-CG 3.3Å; L401-K405 WeakPolarHBondContact O-CG 3.26Å; L401-K405 PolarHBondContact O-N 3.01Å; L401-K405 VanDerWaalsContact O-N 3.1Å; N402-K405 PolarHBondContact O-N 3.1Å
406R94.4Very high94.7Very high123 Ų123121.4 Ų121.446%0.46456%0.559SS.*SBendtrans-79.8131.4-173.7-170.3170.9178.8-179.2-1.2111N402 E404 F413N402-R406 WeakPolarHBondContact O-CB 3.3Å; N402-R406 PolarHBondContact O-N 3.13Å; N402-R406 VanDerWaalsContact O-N 3.14Å; E404-R406 VanDerWaalsContact C-N 3.3Å; E404-R406 PolarHBondContact O-N 2.89Å; R406-F413 HydrophobicContact CB-CD1 3.78Å; R406-F413 HydrophobicContact CB-CE1 3.79Å; R406-F413 VanDerWaalsContact CD-CD1 3.46Å; R406-F413 HydrophobicContact CG-CB 4.34Å; R406-F413 HydrophobicContact CG-CD1 3.55Å; R406-F413 HydrophobicContact CG-CE1 4.05Å; R406-F413 HydrophobicContact CG-CG 4.12Å
407P94.1Very high94Very high47 Ų47122 Ų12231%0.30557%0.574SS.*  trans-62.6140.1-178.123.8-33000111.8F413 V414 R416P407-F413 WeakPolarHBondContact O-CA 3.38Å; P407-V414 WeakPolarHBondContact CG-O 3.39Å; P407-V414 PolarHBondContact O-N 3.44Å; P407-R416 HydrophobicContact CG-CG 4.38Å
408R95.2Very high93Very high129 Ų129120.3 Ų120.349%0.48758%0.576SS.*EExtended strand (participates in β ladder)trans-128.2146.3-179.9-64.6176.1-175.4-113.29.3111.6A403 G411 R412 F413A403-R408 PolarHBondContact O-NH2 3.01Å; R408-G411 PolarHBondContact NH1-O 3.29Å; R408-R412 CarbonylContact C-O 3.58Å; R408-R412 WeakPolarHBondContact CA-O 3Å; R408-R412 WeakPolarHBondContact CB-O 3.27Å; R408-F413 HydrophobicContact CG-CD1 3.77Å; R408-F413 HydrophobicContact CG-CE1 4.13Å; R408-F413 VanDerWaalsContact NE-CE1 3.34Å
409M92.1Very high91.3Very high136 Ų136123.9 Ų123.967%0.6758%0.582SS**EExtended strand (participates in β ladder)trans-127.2124.5163.9-69177.871.500107.5G411 R412 V414M409-G411 VanDerWaalsContact C-N 3.32Å; M409-G411 PolarHBondContact O-N 3.04Å; M409-R412 PolarHBondContact N-O 2.83Å; M409-R412 PolarHBondContact O-N 2.76Å; M409-R412 VanDerWaalsContact O-N 3.12Å; M409-V414 HydrophobicContact CB-CG2 3.63Å; M409-V414 HydrophobicContact CG-CG2 3.65Å; M409-V414 HydrophobicContact SD-CG1 4.39Å; M409-V414 HydrophobicContact SD-CG2 3.96Å
410K94.8Very high89.6Confident207 Ų207122.6 Ų122.690%0.959%0.592SS**THydrogen-bonded Turntrans47.950.2-176.6-160.269.7174.4177.60112.9R412K410-R412 PolarHBondContact O-N 3.05Å; K410-R412 VanDerWaalsContact O-N 3.15Å
411G93.8Very high87.6Confident54 Ų54119.8 Ų119.856%0.55759%0.589SS**THydrogen-bonded Turntrans78.6-15.2177.700000116.2R408 M409R408-G411 PolarHBondContact NH1-O 3.29Å; M409-G411 VanDerWaalsContact C-N 3.32Å; M409-G411 PolarHBondContact O-N 3.04Å
412R94.5Very high85.4Confident200 Ų200119.9 Ų119.976%0.75560%0.602SS**EExtended strand (participates in β ladder)trans-93.9144.2-178.9-62.7178.7-178.3-103-0.5111.5R408 M409 K410R408-R412 CarbonylContact C-O 3.58Å; R408-R412 WeakPolarHBondContact CA-O 3Å; R408-R412 WeakPolarHBondContact CB-O 3.27Å; M409-R412 PolarHBondContact N-O 2.83Å; M409-R412 PolarHBondContact O-N 2.76Å; M409-R412 VanDerWaalsContact O-N 3.12Å; K410-R412 PolarHBondContact O-N 3.05Å; K410-R412 VanDerWaalsContact O-N 3.15Å
413F96.3Very high83.5Confident85 Ų85121.1 Ų121.137%0.37361%0.614SS.*EExtended strand (participates in β ladder)trans-68134.3174.1-63.5-55.3000111.7A403 R406 P407 R408A403-F413 HydrophobicContact CB-CE1 4.44Å; A403-F413 HydrophobicContact CB-CZ 3.93Å; A403-F413 WeakPolarHBondContact O-CE1 3.44Å; R406-F413 HydrophobicContact CB-CD1 3.78Å; R406-F413 HydrophobicContact CB-CE1 3.79Å; R406-F413 VanDerWaalsContact CD-CD1 3.46Å; R406-F413 HydrophobicContact CG-CB 4.34Å; R406-F413 HydrophobicContact CG-CD1 3.55Å; R406-F413 HydrophobicContact CG-CE1 4.05Å; R406-F413 HydrophobicContact CG-CG 4.12Å; P407-F413 WeakPolarHBondContact O-CA 3.38Å; R408-F413 HydrophobicContact CG-CD1 3.77Å; R408-F413 HydrophobicContact CG-CE1 4.13Å; R408-F413 VanDerWaalsContact NE-CE1 3.34Å
414V93.7Very high81.5Confident50 Ų50123.9 Ų123.930%0.30364%0.637SS.*  trans-111.2142.9176.7179.40000109.7P407 M409P407-V414 WeakPolarHBondContact CG-O 3.39Å; P407-V414 PolarHBondContact O-N 3.44Å; M409-V414 HydrophobicContact CB-CG2 3.63Å; M409-V414 HydrophobicContact CG-CG2 3.65Å; M409-V414 HydrophobicContact SD-CG1 4.39Å; M409-V414 HydrophobicContact SD-CG2 3.96Å
415K91.3Very high79.5Confident180 Ų180126.6 Ų126.678%0.78365%0.654SS**  trans-89.4126.7168.5-172.2177-179-178.60107.1T417K415-T417 PolarHBondContact O-N 3.15Å
416R83.2Confident78.1Confident205 Ų205124 Ų12477%0.77466%0.655SS**  trans-62.8109168.4-66.1-176.8-175.9146.10.5107P407P407-R416 HydrophobicContact CG-CG 4.38Å
417T81.3Confident76.2Confident120 Ų120126.6 Ų126.674%0.73670%0.703SS**  trans-67.4123.516446.50000106.3K415 F419K415-T417 PolarHBondContact O-N 3.15Å; T417-F419 PolarHBondContact O-N 3.09Å; T417-F419 VanDerWaalsContact O-N 3.12Å
418P76.5Confident75.3Confident108 Ų108130.6 Ų130.670%0.70172%0.723SS**  trans-59.8122.817026.1-31.1000106.8V420P418-V420 PolarHBondContact O-N 2.73Å
419F63.6Low74.3Confident195 Ų195130.6 Ų130.686%0.85574%0.735SS**  trans-65.793.1169.6-171.7-98.5000106.1T417 G421T417-F419 PolarHBondContact O-N 3.09Å; T417-F419 VanDerWaalsContact O-N 3.12Å; F419-G421 VanDerWaalsContact CD1-CA 3.45Å; F419-G421 PolarHBondContact O-N 3.38Å
420V60.9Low73.3Confident133 Ų133130.3 Ų130.381%0.80674%0.739SS**  trans-71.676.8162.1-178.40000104.7P418 A422P418-V420 PolarHBondContact O-N 2.73Å; V420-A422 PolarHBondContact O-N 3.46Å; V420-A422 VanDerWaalsContact O-N 3.12Å
421G54.5Low72Confident33 Ų33125.8 Ų125.834%0.3473%0.729SS.*  trans-62.7110.8168.700000106.6F419 T423F419-G421 VanDerWaalsContact CD1-CA 3.45Å; F419-G421 PolarHBondContact O-N 3.38Å; G421-T423 PolarHBondContact O-N 2.92Å
422A52.5Low70.7Confident93 Ų93130.3 Ų130.377%0.76974%0.74SS**  trans-50.997174.100000110.2V420 A424V420-A422 PolarHBondContact O-N 3.46Å; V420-A422 VanDerWaalsContact O-N 3.12Å; A422-A424 PolarHBondContact O-N 3.46Å
423T55.2Low69.1Low135 Ų135125.7 Ų125.783%0.82874%0.739SS**  trans-75.574.1152.351.30000106.6G421 L425G421-T423 PolarHBondContact O-N 2.92Å; T423-L425 PolarHBondContact O-N 3.33Å
424A53.1Low67.2Low86 Ų86128.6 Ų128.671%0.71177%0.765SS**  trans-67.3105.2156.800000106.2A422 P426A422-A424 PolarHBondContact O-N 3.46Å; A424-P426 WeakPolarHBondContact O-CD 3.1Å
425L54.5Low65.1Low164 Ų164134.6 Ų134.686%0.85980%0.801SS**  trans-61125.6165.8-69166.2000108.1T423T423-L425 PolarHBondContact O-N 3.33Å
426P65.6Low62.9Low121 Ų121130.8 Ų130.879%0.78680%0.802SS**  trans-78.5135.4158.931.7-28000108.7A424A424-P426 WeakPolarHBondContact O-CD 3.1Å
427A54.2Low61.1Low177 Ų177124.1 Ų124.1100%1.46381%0.805SS**  trans-69.30165.500000111.3

Retrieved 427 of 427 residues in 47.3 ms (Link to these results)