A0A096NPT4_PAPAN Loading...

Paired like homeobox 2B

AlphaFold DB , UniProt , Accession A0A096NPT4, Species PAPAN (Papio anubis, Olive baboon), Gene PHOX2B, Length 314 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M44Very low50.5Low237 Ų237164.3 Ų164.3100%1.16778%0.784SS**  0125.90-71.2103.8137.100109
2Y42.9Very low51Low240 Ų240156.3 Ų156.394%0.94176%0.759SS**  trans-121.7122.4163-86.7-84.6000107.6
3K43.8Very low51.3Low172 Ų172149.2 Ų149.275%0.74874%0.741SS**  trans-108.299.5177.2-156.3-177.9-173.6-149.70107E5K3-E5 WeakPolarHBondContact CD-OE1 3.02Å; K3-E5 WeakPolarHBondContact CE-OE1 3.21Å; K3-E5 IonicContact NZ-OE1 3.29Å; K3-E5 PolarHBondContact NZ-OE1 3.02Å; K3-E5 PolarHBondContact O-N 3.22Å
4M55.8Low51.3Low174 Ų174151.3 Ų151.386%0.85774%0.738SS**  trans-75.3100.8164.6-84.9-160.2-173.100107.6Y6M4-Y6 PolarHBondContact O-N 2.63Å
5E51Low51.4Low128 Ų128149.9 Ų149.960%0.59873%0.73SS**  trans-71.4114.9166.1-67.4-67.9172.900108.4K3 S7K3-E5 WeakPolarHBondContact CD-OE1 3.02Å; K3-E5 WeakPolarHBondContact CE-OE1 3.21Å; K3-E5 IonicContact NZ-OE1 3.29Å; K3-E5 PolarHBondContact NZ-OE1 3.02Å; K3-E5 PolarHBondContact O-N 3.22Å; E5-S7 PolarHBondContact O-N 3.34Å
6Y46.6Very low51.7Low190 Ų190146.1 Ų146.175%0.74572%0.723SS**  trans-80.685.2-173.4-133.3-99.9000109.9M4 Y8M4-Y6 PolarHBondContact O-N 2.63Å; Y6-Y8 HydrophobicContact CD1-CD2 4.48Å; Y6-Y8 HydrophobicContact CE1-CD2 4.32Å; Y6-Y8 PolarHBondContact O-N 2.81Å
7S54.8Low51.7Low114 Ų114143.1 Ų143.180%0.79772%0.718SS**  trans-71.737.4-177.651.90000114.7E5E5-S7 PolarHBondContact O-N 3.34Å
8Y52.8Low52Low204 Ų204142.4 Ų142.480%0.871%0.714SS**  trans-98.73.9-178.2-113.6-78000114.6Y6Y6-Y8 HydrophobicContact CD1-CD2 4.48Å; Y6-Y8 HydrophobicContact CE1-CD2 4.32Å; Y6-Y8 PolarHBondContact O-N 2.81Å
9L54.4Low52.2Low165 Ų165139.4 Ų139.486%0.86471%0.713SS**  trans-108.651.4171.5-78.4165000111S11L9-S11 PolarHBondContact O-N 2.72Å
10N52.3Low52.1Low104 Ų104135.3 Ų135.356%0.55671%0.708SS**  trans-76.677.1165.8-171.716.3000110.3S12 A13N10-S12 PolarHBondContact ND2-OG 3.09Å; N10-S12 PolarHBondContact O-N 3.46Å; N10-S12 VanDerWaalsContact O-N 3.09Å; N10-S12 PolarHBondContact OD1-OG 3.19Å; N10-A13 PolarHBondContact O-N 3.4Å
11S57.1Low52.1Low79 Ų79136 Ų13655%0.55271%0.709SS**Hα-helixtrans-54.5-28.4-179.4-136.90000113.1L9 A13 Y14 E15L9-S11 PolarHBondContact O-N 2.72Å; S11-A13 VanDerWaalsContact C-N 3.31Å; S11-A13 PolarHBondContact O-N 3.44Å; S11-Y14 PolarHBondContact O-N 3.04Å; S11-E15 PolarHBondContact O-N 3.25Å
12S56.3Low52.4Low69 Ų69129.5 Ų129.548%0.48368%0.679SS.*Hα-helixtrans-62.5-31.1-178.372.50000114.2N10 S16N10-S12 PolarHBondContact ND2-OG 3.09Å; N10-S12 PolarHBondContact O-N 3.46Å; N10-S12 VanDerWaalsContact O-N 3.09Å; N10-S12 PolarHBondContact OD1-OG 3.19Å; S12-S16 WeakPolarHBondContact O-CB 3.45Å; S12-S16 PolarHBondContact O-N 2.94Å
13A55.4Low53Low64 Ų64123.9 Ų123.953%0.52967%0.67SS.*Hα-helixtrans-72.9-31.5179.300000112.2N10 S11 C17N10-A13 PolarHBondContact O-N 3.4Å; S11-A13 VanDerWaalsContact C-N 3.31Å; S11-A13 PolarHBondContact O-N 3.44Å; A13-C17 PolarHBondContact O-N 3.26Å
14Y50.7Low53.4Low178 Ų178119 Ų11970%0.69866%0.658SS**Hα-helixtrans-80.9-40.7177.6-151.4-94.3000111.3S11 C17 M18S11-Y14 PolarHBondContact O-N 3.04Å; Y14-C17 PolarHBondContact O-N 3.47Å; Y14-M18 HydrophobicContact CD1-SD 4.29Å; Y14-M18 HydrophobicContact CE1-CG 4.46Å; Y14-M18 HydrophobicContact CE1-SD 3.94Å; Y14-M18 PolarHBondContact O-N 3.28Å; Y14-M18 VanDerWaalsContact O-N 3.17Å
15E52.9Low53.3Low131 Ų131114.3 Ų114.361%0.61264%0.642SS**Hα-helixtrans-64-41.4172.8-75.6-171.5111.500112.2S11 C17 M18 A19S11-E15 PolarHBondContact O-N 3.25Å; E15-C17 VanDerWaalsContact C-N 3.26Å; E15-C17 PolarHBondContact O-N 3.38Å; E15-M18 CarbonylContact O-C 3.6Å; E15-M18 PolarHBondContact O-N 2.9Å; E15-M18 VanDerWaalsContact O-N 3.08Å; E15-A19 WeakPolarHBondContact O-CB 3.38Å; E15-A19 PolarHBondContact O-N 2.91Å
16S55.9Low53.3Low89 Ų89114.1 Ų114.162%0.62264%0.644SS**Hα-helixtrans-64-31.5177.3-167.40000112.8S12 G20S12-S16 WeakPolarHBondContact O-CB 3.45Å; S12-S16 PolarHBondContact O-N 2.94Å; S16-G20 PolarHBondContact O-N 3.42Å
17C52.9Low53.4Low94 Ų94108.1 Ų108.164%0.63563%0.634SS**Hα-helixtrans-69.6-34.4172.4-176.10000113A13 Y14 E15A13-C17 PolarHBondContact O-N 3.26Å; Y14-C17 PolarHBondContact O-N 3.47Å; E15-C17 VanDerWaalsContact C-N 3.26Å; E15-C17 PolarHBondContact O-N 3.38Å
18M55.8Low53.1Low131 Ų131106.2 Ų106.265%0.64562%0.621SS**Hα-helixtrans-87.5-26.4179.2-65.4-159.273.900113.5Y14 E15Y14-M18 HydrophobicContact CD1-SD 4.29Å; Y14-M18 HydrophobicContact CE1-CG 4.46Å; Y14-M18 HydrophobicContact CE1-SD 3.94Å; Y14-M18 PolarHBondContact O-N 3.28Å; Y14-M18 VanDerWaalsContact O-N 3.17Å; E15-M18 CarbonylContact O-C 3.6Å; E15-M18 PolarHBondContact O-N 2.9Å; E15-M18 VanDerWaalsContact O-N 3.08Å
19A56.9Low52.9Low85 Ų85100.3 Ų100.370%0.70261%0.614SS**Hα-helixtrans-81.5-17.317800000113.4E15 M21E15-A19 WeakPolarHBondContact O-CB 3.38Å; E15-A19 PolarHBondContact O-N 2.91Å; A19-M21 VanDerWaalsContact C-N 3.3Å; A19-M21 PolarHBondContact O-N 3.06Å
20G50.1Low52.5Low58 Ų58102 Ų10260%0.59861%0.611SS**THydrogen-bonded Turntrans-81.32.8175.300000115.4S16S16-G20 PolarHBondContact O-N 3.42Å
21M52Low52.2Low151 Ų151100.3 Ų100.374%0.74461%0.611SS**SBendtrans-97.292.6170.8-65.8-173.380.900109.2A19 T23A19-M21 VanDerWaalsContact C-N 3.3Å; A19-M21 PolarHBondContact O-N 3.06Å; M21-T23 PolarHBondContact O-N 2.96Å
22D50.8Low51.8Low99 Ų99103.4 Ų103.453%0.52962%0.621SS.*  trans-56.6124.8178.945.8-78.7000112.1S24 S25D22-S24 PolarHBondContact O-N 3.39Å; D22-S24 VanDerWaalsContact O-N 3.08Å; D22-S24 PolarHBondContact OD2-OG 2.63Å; D22-S25 WeakPolarHBondContact O-CB 3.38Å; D22-S25 PolarHBondContact O-N 3.21Å; D22-S25 WeakPolarHBondContact OD2-CB 3.43Å
23T54.5Low51.1Low123 Ų123109.9 Ų109.976%0.75564%0.641SS**Hα-helixtrans-65.1-15.2-174.251.80000113.4M21 A27M21-T23 PolarHBondContact O-N 2.96Å; T23-A27 PolarHBondContact O-N 3.19Å
24S52.1Low51.1Low70 Ų70111.8 Ų111.849%0.4965%0.65SS.*Hα-helixtrans-62-39.1167.1350000113.2D22 A27 S28D22-S24 PolarHBondContact O-N 3.39Å; D22-S24 VanDerWaalsContact O-N 3.08Å; D22-S24 PolarHBondContact OD2-OG 2.63Å; S24-A27 PolarHBondContact O-N 2.95Å; S24-S28 PolarHBondContact O-N 3.49Å; S24-S28 PolarHBondContact O-OG 3.15Å
25S53.3Low50.7Low75 Ų75109.1 Ų109.152%0.52466%0.658SS.*Hα-helixtrans-69.5-36.1-178.3-169.60000112.1D22 S28 A29D22-S25 WeakPolarHBondContact O-CB 3.38Å; D22-S25 PolarHBondContact O-N 3.21Å; D22-S25 WeakPolarHBondContact OD2-CB 3.43Å; S25-S28 PolarHBondContact O-N 3.01Å; S25-A29 PolarHBondContact O-N 3.4Å; S25-A29 VanDerWaalsContact O-N 3.11Å
26L52.9Low49.8Very low123 Ų123108.3 Ų108.364%0.64467%0.666SS**Hα-helixtrans-70-32.5173.8-172.562.6000112.6Y30L26-Y30 HydrophobicContact CD1-CE2 4.48Å
27A46.7Very low49.9Very low65 Ų65109.5 Ų109.554%0.53767%0.674SS.*Hα-helixtrans-70.5-42174.400000112.1T23 S24 Y30 A31T23-A27 PolarHBondContact O-N 3.19Å; S24-A27 PolarHBondContact O-N 2.95Å; A27-Y30 PolarHBondContact O-N 2.71Å; A27-A31 PolarHBondContact O-N 3.46Å
28S49.7Very low49.5Very low73 Ų73114.1 Ų114.151%0.5169%0.686SS.*Hα-helixtrans-65.8-38.5177.4-63.60000112.7S24 S25 Y30 A31S24-S28 PolarHBondContact O-N 3.49Å; S24-S28 PolarHBondContact O-OG 3.15Å; S25-S28 PolarHBondContact O-N 3.01Å; S28-Y30 PolarHBondContact O-N 3.14Å; S28-Y30 VanDerWaalsContact O-N 3.07Å; S28-A31 PolarHBondContact O-N 3.38Å
29A47.9Very low49.1Very low81 Ų81112.4 Ų112.467%0.66969%0.693SS**Hα-helixtrans-62.6-15.7177.100000114.5S25S25-A29 PolarHBondContact O-N 3.4Å; S25-A29 VanDerWaalsContact O-N 3.11Å
30Y46.7Very low48.4Very low200 Ų200114.5 Ų114.578%0.78470%0.702SS**Hα-helixtrans-106.3-5.9175-86.8-82.4000114.3L26 A27 S28L26-Y30 HydrophobicContact CD1-CE2 4.48Å; A27-Y30 PolarHBondContact O-N 2.71Å; S28-Y30 PolarHBondContact O-N 3.14Å; S28-Y30 VanDerWaalsContact O-N 3.07Å
31A46Very low48.2Very low68 Ų68114.8 Ų114.856%0.56271%0.705SS**Hα-helixtrans-84.9-27.8179.200000113.2A27 S28 F33A27-A31 PolarHBondContact O-N 3.46Å; S28-A31 PolarHBondContact O-N 3.38Å; A31-F33 PolarHBondContact O-N 3.36Å
32D47.7Very low47.4Very low145 Ų145118 Ų11878%0.77572%0.716SS**THydrogen-bonded Turntrans-90.842.2-172.5-81.2-51.3000115.4
33F41.6Very low47.2Very low204 Ų204122 Ų12290%0.89573%0.731SS**THydrogen-bonded Turntrans-116-6.6164.8-164.1-105.8000114.3A31A31-F33 PolarHBondContact O-N 3.36Å
34S55.1Low46.2Very low104 Ų104127.4 Ų127.473%0.72774%0.739SS**SBendtrans-114.4-3.9-162.1-150.60000118
35S43.3Very low45.5Very low122 Ų122130.3 Ų130.385%0.85375%0.749SS**SBendtrans-172.898.8162.4-89.60000114.9
36C34.5Very low44.8Very low115 Ų115132.4 Ų132.478%0.77776%0.761SS**  trans-162105.2134.656.30000111.6Q38C36-Q38 PolarHBondContact O-N 2.85Å; C36-Q38 VanDerWaalsContact O-N 3.15Å
37S58.5Low44.3Very low113 Ų113133 Ų13379%0.7976%0.763SS**  trans-73.293.4156.7540000109.3
38Q44.3Very low44Very low192 Ų192140 Ų14090%0.89778%0.776SS**  trans-171.3155146.2-109.2158.7106.400113.5C36C36-Q38 PolarHBondContact O-N 2.85Å; C36-Q38 VanDerWaalsContact O-N 3.15Å
39A47.4Very low43.3Very low95 Ų95143.4 Ų143.479%0.78579%0.794SS**  trans-97.9128.6-173.500000112.3
40S42.1Very low43.3Very low128 Ų128144.5 Ų144.590%0.89579%0.793SS**  trans173.8139.3149.636.70000108
41G45.1Very low42.8Very low65 Ų65144.8 Ų144.867%0.6780%0.798SS**  cis163.180.7-5.600000111.3
42F34.8Very low42.3Very low219 Ų219145.1 Ų145.196%0.96181%0.809SS**  trans-126.9130165.3-89-79000110.8
43Q47Very low42.1Very low183 Ų183143 Ų14386%0.85581%0.811SS**  trans-87.1128.9-165.1-63.5176.2-22.600111.7
44Y32.8Very low42.1Very low236 Ų236139.7 Ų139.793%0.92581%0.808SS**  trans-130.9142141.2-106.4-88.6000109.3P46Y44-P46 VanDerWaalsContact O-CD 3.24Å; Y44-P46 WeakPolarHBondContact O-CD 3.42Å
45N38.2Very low41.4Very low131 Ų131140.4 Ų140.470%0.70181%0.813SS**  trans-106.2107.1-150.3-179.58.5000112.7
46P38.1Very low41.3Very low118 Ų118138.3 Ų138.377%0.76681%0.81SS**  trans-85.2112.1163.132.4-30.5000110Y44 R48Y44-P46 VanDerWaalsContact O-CD 3.24Å; Y44-P46 WeakPolarHBondContact O-CD 3.42Å; P46-R48 PolarHBondContact O-N 3.15Å
47I41.8Very low41.5Very low135 Ų135138.9 Ų138.969%0.69281%0.814SS**  trans-67.1121.4178.9-72.4-176.6000111
48R41.4Very low41.1Very low212 Ų212139.1 Ų139.180%0.881%0.813SS**  trans71.4102.4164.1-66.8174.3-168.6-71.2-1.5118.5P46P46-R48 PolarHBondContact O-N 3.15Å
49T35.8Very low41.2Very low146 Ų146135.8 Ų135.890%0.89681%0.811SS**  trans-130.1133.4135.6-45.50000108.2
50T46.4Very low41Very low104 Ų104139.3 Ų139.364%0.63882%0.815SS**  trans-116.5159.8174.965.20000110.2
51F37.1Very low41.6Very low205 Ų205139.1 Ų139.190%0.89981%0.809SS**  trans70.5107177.2-76.5-85000119
52G34.3Very low42.1Very low76 Ų76142.4 Ų142.478%0.78482%0.819SS**  108.187.2109.900000116.9
53A45.4Very low42.6Very low100 Ų100135.4 Ų135.483%0.82681%0.808SS**  trans-78.3138.7160.400000110.7
54T41Very low42.4Very low135 Ų135131.7 Ų131.783%0.82880%0.803SS**  trans-163.6158133.751.70000110.7
55S40.7Very low43Very low119 Ų119126.9 Ų126.983%0.83280%0.802SS**  trans69.4128.5166.470.20000117.6
56G40.1Very low43.8Very low77 Ų77125.6 Ų125.679%0.79480%0.803SS**PPolyproline II helixtrans-95.7163.7-169.300000114.7
57C39.4Very low44.4Very low127 Ų127128.6 Ų128.686%0.85881%0.812SS**PPolyproline II helixtrans-94.2128.5178.8-49.50000110.5
58P49.4Very low44.8Very low119 Ų119125.3 Ų125.377%0.77381%0.811SS**PPolyproline II helixtrans-70.5147.1170.229.7-33.4000111
59S46.3Very low44.9Very low121 Ų121122 Ų12285%0.84681%0.814SS**PPolyproline II helixtrans-63.5133.6-179-171.80000112.2
60L43.8Very low45.8Very low169 Ų169122.1 Ų122.189%0.88581%0.809SS**PPolyproline II helixtrans-87.5116.6175.9-70.4171.5000110.6
61T55.1Low46Very low124 Ų124128.3 Ų128.376%0.76182%0.821SS**PPolyproline II helixtrans-81.7155.916654.30000110.7G63T61-G63 PolarHBondContact O-N 3.36Å
62P55.9Low46.6Very low135 Ų135124.5 Ų124.588%0.87781%0.81SS**PPolyproline II helixtrans-83116.1-177.631.6-32.3000111.2
63G44.3Very low47.4Very low71 Ų71129.7 Ų129.773%0.73281%0.813SS**  trans-163.5121.8178.800000115.5T61T61-G63 PolarHBondContact O-N 3.36Å
64S43.4Very low47.4Very low106 Ų106133.5 Ų133.574%0.74181%0.814SS**  trans46.2106.7156.1-162.10000119.4S66S64-S66 PolarHBondContact O-N 3.04Å; S64-S66 PolarHBondContact OG-OG 3.21Å
65C45.3Very low47.8Very low134 Ų134132 Ų13291%0.90581%0.809SS**  trans-7482.7163.453.80000111.9
66S53.9Low48.3Very low104 Ų104131.3 Ų131.373%0.72780%0.804SS**  trans-84.4116.4169-63.50000110.6S64 G68S64-S66 PolarHBondContact O-N 3.04Å; S64-S66 PolarHBondContact OG-OG 3.21Å; S66-G68 PolarHBondContact O-N 2.99Å
67L52.2Low49.2Very low182 Ų182133.6 Ų133.695%0.95381%0.805SS**  trans-83.9111-175.7-167.3142.2000110.9
68G49.3Very low49.7Very low66 Ų66138 Ų13868%0.6881%0.805SS**  trans83.2108.3158.600000118.1S66S66-G68 PolarHBondContact O-N 2.99Å
69T43.7Very low50.1Low141 Ų141136.7 Ų136.787%0.86580%0.804SS**  trans-139.8145.3142.147.30000110.5
70L54.4Low50.6Low150 Ų150135.3 Ų135.379%0.78580%0.8SS**  trans-22.7128.3169.6-9455.9000115.4
71R51.8Low51.3Low233 Ų233132 Ų13288%0.87979%0.787SS**  trans-103.7108.6143.7-177.966.478.8-170.97107.8
72D47.9Very low51.3Low126 Ų126131.9 Ų131.967%0.67479%0.788SS**  trans-47.8138.6177.1-106.8-101000113.7Q74D72-Q74 PolarHBondContact O-N 3.2Å; D72-Q74 VanDerWaalsContact O-N 3.13Å
73H51.9Low50.9Low185 Ų185135 Ų13586%0.85678%0.784SS**  trans-74.697.2172.3-90-101.9000110.1S75H73-S75 PolarHBondContact O-N 2.78Å
74Q45.8Very low51.5Low179 Ų179140.8 Ų140.884%0.83679%0.789SS**  trans-58.4120.1157.2-85.5-80.49.300108.8D72 S76D72-Q74 PolarHBondContact O-N 3.2Å; D72-Q74 VanDerWaalsContact O-N 3.13Å; Q74-S76 PolarHBondContact O-N 3.05Å
75S48.3Very low51.9Low104 Ų104143 Ų14373%0.72779%0.792SS**  trans-68.9110.7-174.151.40000111.9H73H73-S75 PolarHBondContact O-N 2.78Å
76S51.2Low51.9Low105 Ų105144.7 Ų144.773%0.73478%0.784SS**  trans-77.3122.8167.7-175.40000110.1Q74 Y78Q74-S76 PolarHBondContact O-N 3.05Å; S76-Y78 PolarHBondContact O-N 2.92Å
77P59.1Low51.9Low124 Ų124146.8 Ų146.881%0.80579%0.793SS**SBendtrans-84.458.7-173.235.9-37.2000112.3
78Y51.6Low51.6Low220 Ų220144 Ų14486%0.86378%0.778SS**  trans-137.172.6165.3-134.9-94.3000110.8S76S76-Y78 PolarHBondContact O-N 2.92Å
79A56.2Low51.6Low91 Ų91146.9 Ų146.975%0.75277%0.774SS**  trans-77.8156.9173.900000111.7
80A57.9Low52.1Low93 Ų93142.9 Ų142.977%0.76976%0.761SS**  trans64.982.2161.400000118.2
81V59Low51.9Low100 Ų100139 Ų13961%0.60676%0.757SS**  -109129.1128.2-72.10000108.8Y83V81-Y83 HydrophobicContact CG2-CD2 3.97Å; V81-Y83 HydrophobicContact CG2-CE2 3.39Å; V81-Y83 PolarHBondContact O-N 3.27Å
82P55.1Low51.9Low121 Ų121134.3 Ų134.379%0.78675%0.749SS**  trans-80.391.6-173.831.2-34.3000111.3K84P82-K84 PolarHBondContact O-N 2.82Å
83Y45.9Very low51.7Low200 Ų200132.4 Ų132.478%0.78474%0.739SS**  trans-72.572.8171.6-73.3-71.6000112V81V81-Y83 HydrophobicContact CG2-CD2 3.97Å; V81-Y83 HydrophobicContact CG2-CE2 3.39Å; V81-Y83 PolarHBondContact O-N 3.27Å
84K57.8Low51.8Low192 Ų192130.7 Ų130.784%0.83573%0.731SS**  trans-136.946.9173.3-76.1-69.2-170.9172.30112P82P82-K84 PolarHBondContact O-N 2.82Å
85L52Low52.2Low153 Ų153131 Ų13180%0.80173%0.73SS**  trans-152.239.4167.8-154.158.8000116.1
86F45.2Very low52.6Low170 Ų170135.9 Ų135.975%0.74673%0.732SS**  trans-125.153162.4-71.2-68.3000111.4D88F86-D88 PolarHBondContact O-N 3.15Å
87T54.6Low53.1Low148 Ų148140.3 Ų140.391%0.90874%0.738SS**  trans-89.662.9156.8-510000108.8
88D44.9Very low53.7Low122 Ų122141.4 Ų141.465%0.65273%0.733SS**  trans-170.5121.7136.5-166.9-87.1000109.6F86 G90F86-D88 PolarHBondContact O-N 3.15Å; D88-G90 PolarHBondContact OD1-N 2.79Å
89H49.8Very low55.1Low127 Ų127141.6 Ų141.659%0.58873%0.732SS**  trans-136.258.6160.1-78.4-27.6000108.7G91H89-G91 PolarHBondContact O-N 2.9Å
90G53.3Low56.4Low58 Ų58148.5 Ų148.560%0.59874%0.738SS**THydrogen-bonded Turntrans-54.8121.5165.200000110.8D88D88-G90 PolarHBondContact OD1-N 2.79Å
91G50.3Low57.8Low68 Ų68150.8 Ų150.870%0.70174%0.736SS**THydrogen-bonded Turntrans92.7-2.5156.900000119.6H89H89-G91 PolarHBondContact O-N 2.9Å
92L52.2Low59.3Low134 Ų134156.7 Ų156.770%0.70275%0.748SS**SBendtrans-117.2-3.7-175.3-65.7179.9000117
93N44.6Very low61.1Low86 Ų86153.1 Ų153.146%0.4672%0.724SS.*  trans-92.7-11.1-177.8-78-68.7000115.7K95 R96N93-K95 PolarHBondContact O-N 3.18Å; N93-R96 PolarHBondContact O-N 2.64Å
94E53.1Low63.4Low150 Ų150149.3 Ų149.370%0.70172%0.721SS**THydrogen-bonded Turntrans-55.5-17.5177.7-116.957.4-144.900115.2R96E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 2.75Å
95K54.3Low65.2Low186 Ų186143 Ų14381%0.80969%0.694SS**THydrogen-bonded Turntrans-79.2-8.3179.3-67.9165.7-177.6169.70113N93 K97N93-K95 PolarHBondContact O-N 3.18Å; K95-K97 VanDerWaalsContact C-N 3.33Å; K95-K97 PolarHBondContact O-N 2.78Å
96R57.5Low67.4Low206 Ų206139.3 Ų139.378%0.77768%0.678SS**SBendtrans-82.672.5177.3-170.2173.4-87.4156.8-6111.9N93 E94N93-R96 PolarHBondContact O-N 2.64Å; E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 2.75Å
97K61Low69.9Low198 Ų198135.1 Ų135.186%0.86167%0.669SS**  trans56.461.9166.5-64.5174.9177.1173.80115K95 R99K95-K97 VanDerWaalsContact C-N 3.33Å; K95-K97 PolarHBondContact O-N 2.78Å; K97-R99 PolarHBondContact O-N 3.09Å
98Q71.4Confident71.9Confident147 Ų147131.5 Ų131.569%0.68765%0.654SS**  trans-58.7113.2164.8-174.663.5-9.700110.1R100Q98-R100 PolarHBondContact O-N 3.24Å
99R81.3Confident74.4Confident223 Ų223127.1 Ų127.184%0.84263%0.63SS**PPolyproline II helixtrans-66.9129.2-179.6-168.4178.7-173.4-143.65.5108.3K97 I101K97-R99 PolarHBondContact O-N 3.09Å; R99-I101 PolarHBondContact O-N 3.3Å
100R82.5Confident76.7Confident237 Ų237123.9 Ų123.989%0.89462%0.617SS**PPolyproline II helixtrans-52.3127.1178.9-67.3-168.7-171.8-150.26109.8Q98 R102Q98-R100 PolarHBondContact O-N 3.24Å; R100-R102 PolarHBondContact O-N 3.48Å
101I87.4Confident78.8Confident140 Ų140128 Ų12872%0.71862%0.618SS**PPolyproline II helixtrans-57.9133.5-179.7-56.1-57.1000109.5R99R99-I101 PolarHBondContact O-N 3.3Å
102R91.9Very high81Confident225 Ų225126.4 Ų126.485%0.84959%0.592SS**PPolyproline II helixtrans-82.4126.6179.9-177180-179.5-177.71.2109.4R100 T104R100-R102 PolarHBondContact O-N 3.48Å; R102-T104 PolarHBondContact O-N 3.31Å
103T92.1Very high83.2Confident46 Ų46120 Ų12028%0.28256%0.559SS.*PPolyproline II helixtrans-65.9126.3170.6-47.20000110.3L137 R141T103-L137 HydrophobicContact CG2-CD2 3.89Å; T103-R141 WeakPolarHBondContact OG1-CD 3.19Å
104T94.4Very high85.8Confident120 Ų120119.7 Ų119.774%0.73656%0.555SS**PPolyproline II helixtrans-102.3127.616949.40000108.9R102R102-T104 PolarHBondContact O-N 3.31Å
105F95.7Very high87.9Confident60 Ų60117.6 Ų117.626%0.26354%0.541SS..PPolyproline II helixtrans-89.4138.5-179.7-58.9-98.2000110L110 L113 L137 W145F105-L110 HydrophobicContact CB-CD1 4.42Å; F105-L110 HydrophobicContact CB-CD2 3.73Å; F105-L110 HydrophobicContact CB-CG 3.82Å; F105-L110 HydrophobicContact CG-CD2 4.16Å; F105-L113 HydrophobicContact CD1-CD1 3.88Å; F105-L113 HydrophobicContact CE1-CD1 4.02Å; F105-L137 HydrophobicContact CD1-CD1 3.53Å; F105-L137 HydrophobicContact CE1-CD1 3.42Å; F105-L137 VanDerWaalsContact CE1-CD1 3.42Å; F105-W145 HydrophobicContact CE1-CB 4.29Å; F105-W145 AromaticContact CE1-CD1 3.79Å; F105-W145 HydrophobicContact CE1-CG 4.31Å; F105-W145 AromaticContact CE2-CD1 3.8Å; F105-W145 HydrophobicContact CZ-CB 4.01Å; F105-W145 AromaticContact CZ-CD1 3.63Å; F105-W145 HydrophobicContact CZ-CG 4.19Å
106T97.9Very high89.9Confident75 Ų75109 Ų10946%0.4650%0.503SS..PPolyproline II helixtrans-75.9162171.879.20000110.8A108 Q109 L110T106-A108 VanDerWaalsContact C-N 3.26Å; T106-A108 PolarHBondContact O-N 2.89Å; T106-Q109 PolarHBondContact O-N 3.34Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.48Å; T106-Q109 PolarHBondContact OG1-N 3.06Å; T106-L110 WeakPolarHBondContact O-CG 3.23Å; T106-L110 PolarHBondContact O-N 3.41Å
107S97.2Very high91.8Very high81 Ų8199.8 Ų99.857%0.56647%0.469SS*.Hα-helixtrans-59.2-36.7177-178.60000112.5L110 K111S107-L110 PolarHBondContact O-N 2.86Å; S107-K111 WeakPolarHBondContact O-CG 3.35Å; S107-K111 PolarHBondContact O-N 3.09Å; S107-K111 VanDerWaalsContact O-N 3.08Å
108A97Very high93.6Very high72 Ų7294.4 Ų94.460%0.59546%0.461SS*.Hα-helixtrans-65.9-45.3177.500000112T106 L110 K111 E112T106-A108 VanDerWaalsContact C-N 3.26Å; T106-A108 PolarHBondContact O-N 2.89Å; A108-L110 VanDerWaalsContact C-N 3.31Å; A108-L110 PolarHBondContact O-N 3.4Å; A108-K111 PolarHBondContact O-N 3.49Å; A108-E112 PolarHBondContact O-N 3.45Å
109Q97.6Very high94.8Very high30 Ų3093.5 Ų93.514%0.1446%0.457CS..Hα-helixtrans-60.5-41.6176.1-64173.2-34.100111.4T106 E112 L113 I135T106-Q109 PolarHBondContact O-N 3.34Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.48Å; T106-Q109 PolarHBondContact OG1-N 3.06Å; Q109-E112 PolarHBondContact O-N 3.28Å; Q109-L113 WeakPolarHBondContact O-CB 3.42Å; Q109-L113 WeakPolarHBondContact O-CD1 3.48Å; Q109-L113 VanDerWaalsContact O-CG 3.27Å; Q109-L113 WeakPolarHBondContact O-CG 3.44Å; Q109-L113 PolarHBondContact O-N 3.41Å; Q109-L113 VanDerWaalsContact O-N 3.09Å; Q109-I135 HydrophobicContact CB-CB 4.38Å; Q109-I135 HydrophobicContact CG-CB 4.08Å; Q109-I135 PolarHBondContact NE2-O 2.97Å
110L97.9Very high95.5Very high60 Ų6085.4 Ų85.431%0.31443%0.433SS..Hα-helixtrans-63.8-39.8177.4-70.1174.6000112.7F105 T106 S107 A108 E112 L113 E114 W145F105-L110 HydrophobicContact CB-CD1 4.42Å; F105-L110 HydrophobicContact CB-CD2 3.73Å; F105-L110 HydrophobicContact CB-CG 3.82Å; F105-L110 HydrophobicContact CG-CD2 4.16Å; T106-L110 WeakPolarHBondContact O-CG 3.23Å; T106-L110 PolarHBondContact O-N 3.41Å; S107-L110 PolarHBondContact O-N 2.86Å; A108-L110 VanDerWaalsContact C-N 3.31Å; A108-L110 PolarHBondContact O-N 3.4Å; L110-E112 PolarHBondContact O-N 3.08Å; L110-L113 PolarHBondContact O-N 3.43Å; L110-E114 WeakPolarHBondContact O-CB 3.37Å; L110-E114 WeakPolarHBondContact O-CG 3.37Å; L110-E114 PolarHBondContact O-N 3.04Å; L110-W145 HydrophobicContact CD2-CZ2 4.27Å; L110-W145 VanDerWaalsContact CD2-NE1 3.28Å
111K97.9Very high96.2Very high143 Ų14377.5 Ų77.562%0.62241%0.406SS*.Hα-helixtrans-60.6-44.5177.3-73.3170.6-176.3-177.90112S107 A108 E114 R115S107-K111 WeakPolarHBondContact O-CG 3.35Å; S107-K111 PolarHBondContact O-N 3.09Å; S107-K111 VanDerWaalsContact O-N 3.08Å; A108-K111 PolarHBondContact O-N 3.49Å; K111-E114 PolarHBondContact O-N 3.27Å; K111-R115 WeakPolarHBondContact O-CB 3.19Å; K111-R115 PolarHBondContact O-N 2.74Å
112E97.4Very high96.7Very high35 Ų3578.3 Ų78.316%0.16440%0.401CS..Hα-helixtrans-69.2-39.5179.5-169.962.2-160.700112A108 Q109 L110 R115 V116 L131 K134 I135A108-E112 PolarHBondContact O-N 3.45Å; Q109-E112 PolarHBondContact O-N 3.28Å; L110-E112 PolarHBondContact O-N 3.08Å; E112-R115 WeakPolarHBondContact O-CB 3.34Å; E112-R115 PolarHBondContact O-N 3.25Å; E112-R115 IonicContact OE1-CZ 2.72Å; E112-R115 VanDerWaalsContact OE1-CZ 3.29Å; E112-R115 IonicContact OE1-NE 2.63Å; E112-R115 PolarHBondContact OE1-NE 3.38Å; E112-R115 IonicContact OE1-NH2 3.15Å; E112-R115 PolarHBondContact OE1-NH2 2.91Å; E112-R115 IonicContact OE2-NE 3.8Å; E112-R115 PolarHBondContact OE2-NE 2.98Å; E112-V116 PolarHBondContact O-N 3.43Å; E112-L131 HydrophobicContact CG-CD2 3.8Å; E112-K134 VanDerWaalsContact CD-NZ 3.32Å; E112-K134 HydrophobicContact CG-CD 4.14Å; E112-K134 WeakPolarHBondContact OE1-CE 3.43Å; E112-K134 IonicContact OE1-NZ 3.59Å; E112-K134 PolarHBondContact OE1-NZ 3.14Å; E112-K134 IonicContact OE2-NZ 2.63Å; E112-I135 HydrophobicContact CB-CG2 3.98Å; E112-I135 HydrophobicContact CG-CG2 3.93Å
113L97.8Very high96.9Very high0 Ų068 Ų680%036%0.363CS..Hα-helixtrans-63.7-39.7173.6-72.2167.1000112.4F105 Q109 L110 F117 I135 V142 W145 F146F105-L113 HydrophobicContact CD1-CD1 3.88Å; F105-L113 HydrophobicContact CE1-CD1 4.02Å; Q109-L113 WeakPolarHBondContact O-CB 3.42Å; Q109-L113 WeakPolarHBondContact O-CD1 3.48Å; Q109-L113 VanDerWaalsContact O-CG 3.27Å; Q109-L113 WeakPolarHBondContact O-CG 3.44Å; Q109-L113 PolarHBondContact O-N 3.41Å; Q109-L113 VanDerWaalsContact O-N 3.09Å; L110-L113 PolarHBondContact O-N 3.43Å; L113-F117 WeakPolarHBondContact O-CB 3.3Å; L113-F117 PolarHBondContact O-N 3.02Å; L113-I135 HydrophobicContact CD1-CD1 3.93Å; L113-I135 HydrophobicContact CD2-CD1 3.69Å; L113-I135 HydrophobicContact CG-CD1 3.73Å; L113-V142 HydrophobicContact CD2-CG1 3.96Å; L113-V142 HydrophobicContact CD2-CG2 4.48Å; L113-W145 HydrophobicContact CB-CD2 4.14Å; L113-W145 HydrophobicContact CB-CE3 4.02Å; L113-W145 HydrophobicContact CB-CH2 3.7Å; L113-W145 HydrophobicContact CB-CZ2 3.79Å; L113-W145 HydrophobicContact CB-CZ3 3.82Å; L113-W145 HydrophobicContact CD1-CD2 3.93Å; L113-W145 HydrophobicContact CD1-CE3 4.49Å; L113-W145 HydrophobicContact CD1-CG 3.97Å; L113-W145 HydrophobicContact CD2-CD2 4.46Å; L113-W145 HydrophobicContact CD2-CE3 4.26Å; L113-W145 HydrophobicContact CG-CD2 4.42Å; L113-F146 HydrophobicContact CD2-CD2 4.47Å; L113-F146 HydrophobicContact CD2-CE2 3.83Å
114E97.8Very high97.2Very high80 Ų8070.1 Ų70.137%0.37437%0.373SS..Hα-helixtrans-72.6-32.3175.9-73.1-173145.100112.7L110 K111 F117 A118 W145 R149L110-E114 WeakPolarHBondContact O-CB 3.37Å; L110-E114 WeakPolarHBondContact O-CG 3.37Å; L110-E114 PolarHBondContact O-N 3.04Å; K111-E114 PolarHBondContact O-N 3.27Å; E114-F117 PolarHBondContact O-N 3.33Å; E114-A118 PolarHBondContact O-N 3.14Å; E114-W145 HydrophobicContact CG-CH2 3.81Å; E114-W145 HydrophobicContact CG-CZ2 3.95Å; E114-R149 IonicContact OE1-CZ 3.17Å; E114-R149 IonicContact OE1-NH1 2.62Å; E114-R149 PolarHBondContact OE1-NH1 3.05Å; E114-R149 IonicContact OE1-NH2 3.18Å; E114-R149 PolarHBondContact OE1-NH2 3.27Å
115R97.8Very high97.3Very high106 Ų10667 Ų6740%0.435%0.351SS..Hα-helixtrans-57.6-55.1172-174.3-169.567.674.6-1.1110.9K111 E112 F117 A118 E119K111-R115 WeakPolarHBondContact O-CB 3.19Å; K111-R115 PolarHBondContact O-N 2.74Å; E112-R115 WeakPolarHBondContact O-CB 3.34Å; E112-R115 PolarHBondContact O-N 3.25Å; E112-R115 IonicContact OE1-CZ 2.72Å; E112-R115 VanDerWaalsContact OE1-CZ 3.29Å; E112-R115 IonicContact OE1-NE 2.63Å; E112-R115 PolarHBondContact OE1-NE 3.38Å; E112-R115 IonicContact OE1-NH2 3.15Å; E112-R115 PolarHBondContact OE1-NH2 2.91Å; E112-R115 IonicContact OE2-NE 3.8Å; E112-R115 PolarHBondContact OE2-NE 2.98Å; R115-F117 VanDerWaalsContact C-N 3.3Å; R115-F117 PolarHBondContact O-N 2.91Å; R115-A118 WeakPolarHBondContact O-CB 3.45Å; R115-A118 PolarHBondContact O-N 3.38Å; R115-A118 VanDerWaalsContact O-N 3.14Å; R115-E119 IonicContact CZ-OE1 3.46Å; R115-E119 VanDerWaalsContact NH1-CD 3.26Å; R115-E119 IonicContact NH1-OE1 3.01Å; R115-E119 PolarHBondContact NH1-OE1 3.17Å; R115-E119 IonicContact NH1-OE2 2.71Å; R115-E119 PolarHBondContact NH1-OE2 3.33Å; R115-E119 VanDerWaalsContact NH1-OE2 3.15Å; R115-E119 PolarHBondContact O-N 3.1Å
116V97.3Very high97.4Very high4 Ų472.2 Ų72.22%0.02437%0.37CS..Hα-helixtrans-68.2-30.4179177.80000111.9E112 A118 E119 T120 P123 T127 L131 F146E112-V116 PolarHBondContact O-N 3.43Å; V116-A118 VanDerWaalsContact C-N 3.26Å; V116-A118 PolarHBondContact O-N 3.29Å; V116-E119 PolarHBondContact O-N 3.05Å; V116-E119 VanDerWaalsContact O-N 3.15Å; V116-T120 HydrophobicContact CG1-CG2 4.43Å; V116-T120 PolarHBondContact O-N 3.21Å; V116-T120 VanDerWaalsContact O-O 3.13Å; V116-P123 HydrophobicContact CG1-CB 4.33Å; V116-T127 HydrophobicContact CG1-CG2 4.13Å; V116-L131 HydrophobicContact CB-CD1 3.95Å; V116-L131 HydrophobicContact CG1-CD1 3.95Å; V116-L131 HydrophobicContact CG2-CD1 3.99Å; V116-L131 HydrophobicContact CG2-CD2 3.83Å; V116-L131 HydrophobicContact CG2-CG 4.21Å; V116-F146 HydrophobicContact CB-CZ 4.34Å; V116-F146 HydrophobicContact CG1-CZ 4.21Å
117F97.6Very high97.4Very high13 Ų1371 Ų716%0.05736%0.362CS..Hα-helixtrans-62.4-32.2172.9-171.6-95.2000112.9L113 E114 R115 T120 H121 W145 F146 R149 R150 F153L113-F117 WeakPolarHBondContact O-CB 3.3Å; L113-F117 PolarHBondContact O-N 3.02Å; E114-F117 PolarHBondContact O-N 3.33Å; R115-F117 VanDerWaalsContact C-N 3.3Å; R115-F117 PolarHBondContact O-N 2.91Å; F117-T120 CarbonylContact O-C 3.39Å; F117-H121 AromaticContact CD1-CD2 3.67Å; F117-H121 AromaticContact CE1-CD2 3.24Å; F117-H121 WeakPolarHBondContact CE1-CD2 3.35Å; F117-H121 AromaticContact CE1-NE2 3.49Å; F117-H121 WeakPolarHBondContact CE1-NE2 3.38Å; F117-H121 HydrophobicContact CE2-CB 4.14Å; F117-H121 AromaticContact CE2-CD2 3.61Å; F117-H121 HydrophobicContact CZ-CB 4.38Å; F117-H121 AromaticContact CZ-CD2 3.2Å; F117-H121 WeakPolarHBondContact CZ-CD2 3.37Å; F117-H121 AromaticContact CZ-CG 3.95Å; F117-H121 AromaticContact CZ-NE2 3.8Å; F117-H121 PolarHBondContact O-CD2 3.18Å; F117-W145 HydrophobicContact CB-CH2 4.49Å; F117-W145 HydrophobicContact CB-CZ3 4.32Å; F117-W145 HydrophobicContact CD2-CZ3 4.45Å; F117-F146 HydrophobicContact CB-CE1 3.97Å; F117-F146 HydrophobicContact CB-CZ 4.46Å; F117-F146 AromaticContact CD2-CD1 3.81Å; F117-F146 HydrophobicContact CD2-CD1 3.81Å; F117-F146 AromaticContact CD2-CE1 3.77Å; F117-F146 HydrophobicContact CD2-CE1 3.77Å; F117-F146 HydrophobicContact CG-CE1 4.39Å; F117-R149 HydrophobicContact CD1-CG 4Å; F117-R149 HydrophobicContact CD2-CB 4.21Å; F117-R149 HydrophobicContact CD2-CG 3.53Å; F117-R149 HydrophobicContact CE1-CG 3.85Å; F117-R149 HydrophobicContact CE2-CB 3.97Å; F117-R149 HydrophobicContact CE2-CG 3.37Å; F117-R149 HydrophobicContact CG-CG 3.85Å; F117-R149 HydrophobicContact CZ-CB 4.47Å; F117-R149 HydrophobicContact CZ-CG 3.55Å; F117-R150 HydrophobicContact CE2-CG 3.91Å; F117-R150 HydrophobicContact CZ-CG 4.48Å; F117-F153 HydrophobicContact CE1-CD2 4.42Å; F117-F153 HydrophobicContact CZ-CB 4.38Å
118A97.3Very high97.4Very high85 Ų8569.2 Ų69.270%0.70234%0.343SS*.Hα-helixtrans-72.3-28.1174.700000113.1E114 R115 V116E114-A118 PolarHBondContact O-N 3.14Å; R115-A118 WeakPolarHBondContact O-CB 3.45Å; R115-A118 PolarHBondContact O-N 3.38Å; R115-A118 VanDerWaalsContact O-N 3.14Å; V116-A118 VanDerWaalsContact C-N 3.26Å; V116-A118 PolarHBondContact O-N 3.29Å
119E96.6Very high97.5Very high128 Ų12869.9 Ų69.960%0.59833%0.334SS*.Hα-helixtrans-78.3-47.3174.1-70.9160.4-161.800111.5R115 V116R115-E119 IonicContact CZ-OE1 3.46Å; R115-E119 VanDerWaalsContact NH1-CD 3.26Å; R115-E119 IonicContact NH1-OE1 3.01Å; R115-E119 PolarHBondContact NH1-OE1 3.17Å; R115-E119 IonicContact NH1-OE2 2.71Å; R115-E119 PolarHBondContact NH1-OE2 3.33Å; R115-E119 VanDerWaalsContact NH1-OE2 3.15Å; R115-E119 PolarHBondContact O-N 3.1Å; V116-E119 PolarHBondContact O-N 3.05Å; V116-E119 VanDerWaalsContact O-N 3.15Å
120T96.6Very high97.5Very high53 Ų5374.7 Ų74.733%0.32536%0.357SS..  trans-148.7128.2174.2176.20000112.5V116 F117 Y122 P123V116-T120 HydrophobicContact CG1-CG2 4.43Å; V116-T120 PolarHBondContact O-N 3.21Å; V116-T120 VanDerWaalsContact O-O 3.13Å; F117-T120 CarbonylContact O-C 3.39Å; T120-Y122 PolarHBondContact O-N 2.62Å; T120-Y122 VanDerWaalsContact OG1-C 3.27Å; T120-Y122 PolarHBondContact OG1-N 2.94Å; T120-Y122 PolarHBondContact OG1-O 3.43Å; T120-P123 HydrophobicContact CG2-CB 4.1Å
121H96.8Very high97.5Very high71 Ų7172.1 Ų72.133%0.32934%0.343SS..SBendtrans-66.9-18.3170.9-61.1146.3000112.8F117 R150F117-H121 AromaticContact CD1-CD2 3.67Å; F117-H121 AromaticContact CE1-CD2 3.24Å; F117-H121 WeakPolarHBondContact CE1-CD2 3.35Å; F117-H121 AromaticContact CE1-NE2 3.49Å; F117-H121 WeakPolarHBondContact CE1-NE2 3.38Å; F117-H121 HydrophobicContact CE2-CB 4.14Å; F117-H121 AromaticContact CE2-CD2 3.61Å; F117-H121 HydrophobicContact CZ-CB 4.38Å; F117-H121 AromaticContact CZ-CD2 3.2Å; F117-H121 WeakPolarHBondContact CZ-CD2 3.37Å; F117-H121 AromaticContact CZ-CG 3.95Å; F117-H121 AromaticContact CZ-NE2 3.8Å; F117-H121 PolarHBondContact O-CD2 3.18Å; H121-R150 HydrophobicContact CB-CG 4.5Å; H121-R150 VanDerWaalsContact O-CD 3.27Å; H121-R150 WeakPolarHBondContact O-CD 3.45Å; H121-R150 PolarHBondContact O-NH1 3.4Å
122Y97.6Very high97.5Very high158 Ų15865.7 Ų65.762%0.6232%0.316SS*.SBendtrans-130.574.7-176.7-67.5-98.4000110.2T120T120-Y122 PolarHBondContact O-N 2.62Å; T120-Y122 VanDerWaalsContact OG1-C 3.27Å; T120-Y122 PolarHBondContact OG1-N 2.94Å; T120-Y122 PolarHBondContact OG1-O 3.43Å
123P96.8Very high97.5Very high7 Ų770.8 Ų70.85%0.04534%0.344CS..  trans-67.1142.8175.729.2-36.8000111.2V116 T120 T127 R128 F146V116-P123 HydrophobicContact CG1-CB 4.33Å; T120-P123 HydrophobicContact CG2-CB 4.1Å; P123-T127 HydrophobicContact CB-CG2 4.06Å; P123-R128 HydrophobicContact CB-CG 4.08Å; P123-R128 HydrophobicContact CG-CG 3.83Å; P123-R128 PolarHBondContact O-NH1 2.83Å; P123-F146 VanDerWaalsContact CD-CD1 3.48Å; P123-F146 HydrophobicContact CG-CD1 3.67Å; P123-F146 HydrophobicContact CG-CD2 4.1Å; P123-F146 HydrophobicContact CG-CE1 3.56Å; P123-F146 HydrophobicContact CG-CE2 4.01Å; P123-F146 HydrophobicContact CG-CG 3.96Å; P123-F146 HydrophobicContact CG-CZ 3.75Å
124D97.9Very high97.4Very high92 Ų9276.5 Ų76.549%0.49237%0.369SS..  trans-73.2168.4178.1-170.930000112.4Y126 T127 R128D124-Y126 PolarHBondContact O-N 2.96Å; D124-Y126 WeakPolarHBondContact OD2-CD2 3.27Å; D124-T127 PolarHBondContact O-N 3.44Å; D124-R128 VanDerWaalsContact C-NH1 3.27Å; D124-R128 WeakPolarHBondContact O-CG 3.36Å; D124-R128 PolarHBondContact O-N 3.39Å
125I97.4Very high97.4Very high55 Ų5573.2 Ų73.228%0.28235%0.354SS..Hα-helixtrans-52.7-50-179.3-175.862000111.9T127 R128 E129 E139I125-T127 PolarHBondContact O-N 3.22Å; I125-R128 VanDerWaalsContact CD1-NH2 3.31Å; I125-R128 PolarHBondContact O-N 2.94Å; I125-E129 HydrophobicContact CD1-CG 4.35Å; I125-E129 HydrophobicContact CG1-CG 4.49Å; I125-E129 WeakPolarHBondContact O-CG 3.46Å; I125-E129 PolarHBondContact O-N 3.2Å; I125-E139 HydrophobicContact CD1-CG 3.97Å
126Y97.8Very high97.3Very high168 Ų16875.1 Ų75.166%0.65937%0.372SS*.Hα-helixtrans-61.7-41.9-179.5-57.2-66.3000112.4D124 R128 E129 E130D124-Y126 PolarHBondContact O-N 2.96Å; D124-Y126 WeakPolarHBondContact OD2-CD2 3.27Å; Y126-R128 VanDerWaalsContact C-N 3.31Å; Y126-R128 PolarHBondContact O-N 3.39Å; Y126-E129 PolarHBondContact O-N 3.42Å; Y126-E130 PolarHBondContact O-N 2.98Å
127T97.4Very high97.3Very high49 Ų4976.5 Ų76.530%0.30138%0.379SS..Hα-helixtrans-65.1-34.3175.5-43.70000112V116 P123 D124 I125 L131V116-T127 HydrophobicContact CG1-CG2 4.13Å; P123-T127 HydrophobicContact CB-CG2 4.06Å; D124-T127 PolarHBondContact O-N 3.44Å; I125-T127 PolarHBondContact O-N 3.22Å; T127-L131 WeakPolarHBondContact O-CB 3.24Å; T127-L131 WeakPolarHBondContact O-CG 3.2Å; T127-L131 PolarHBondContact O-N 3.08Å; T127-L131 VanDerWaalsContact O-N 3.09Å
128R98.1Very high97.2Very high45 Ų4580.1 Ų80.117%0.1740%0.402CS..Hα-helixtrans-73.2-33.7175.4-66.1-171-47.4-88.4-1.4112.2P123 D124 I125 Y126 A132 E139 V142P123-R128 HydrophobicContact CB-CG 4.08Å; P123-R128 HydrophobicContact CG-CG 3.83Å; P123-R128 PolarHBondContact O-NH1 2.83Å; D124-R128 VanDerWaalsContact C-NH1 3.27Å; D124-R128 WeakPolarHBondContact O-CG 3.36Å; D124-R128 PolarHBondContact O-N 3.39Å; I125-R128 VanDerWaalsContact CD1-NH2 3.31Å; I125-R128 PolarHBondContact O-N 2.94Å; Y126-R128 VanDerWaalsContact C-N 3.31Å; Y126-R128 PolarHBondContact O-N 3.39Å; R128-A132 WeakPolarHBondContact O-CB 3.48Å; R128-A132 PolarHBondContact O-N 3.47Å; R128-E139 HydrophobicContact CB-CG 4.03Å; R128-E139 IonicContact CZ-OE1 3.28Å; R128-E139 VanDerWaalsContact CZ-OE1 3.28Å; R128-E139 IonicContact NE-OE1 2.75Å; R128-E139 PolarHBondContact NE-OE1 3.03Å; R128-E139 IonicContact NH2-OE1 2.9Å; R128-E139 PolarHBondContact NH2-OE1 3.47Å; R128-V142 HydrophobicContact CB-CG1 4.21Å; R128-V142 HydrophobicContact CG-CG1 4.2Å
129E98.2Very high97.3Very high86 Ų8678.1 Ų78.140%0.40238%0.379SS..Hα-helixtrans-69-45.8174.2-71.9174.9167.200111.7I125 Y126 L131 A132 L133 E139I125-E129 HydrophobicContact CD1-CG 4.35Å; I125-E129 HydrophobicContact CG1-CG 4.49Å; I125-E129 WeakPolarHBondContact O-CG 3.46Å; I125-E129 PolarHBondContact O-N 3.2Å; Y126-E129 PolarHBondContact O-N 3.42Å; E129-L131 PolarHBondContact O-N 2.77Å; E129-A132 WeakPolarHBondContact O-CB 3.49Å; E129-A132 PolarHBondContact O-N 3.06Å; E129-L133 WeakPolarHBondContact O-CG 3.27Å; E129-L133 PolarHBondContact O-N 3.29Å; E129-E139 HydrophobicContact CG-CG 4.13Å
130E97.5Very high97.3Very high131 Ų13173.9 Ų73.961%0.61237%0.365SS*.Hα-helixtrans-58.8-46.5173.7-171.8-169.2169.100111.3Y126 A132 L133 K134Y126-E130 PolarHBondContact O-N 2.98Å; E130-A132 PolarHBondContact O-N 2.92Å; E130-L133 PolarHBondContact O-N 3.09Å; E130-K134 WeakPolarHBondContact O-CB 3.41Å; E130-K134 PolarHBondContact O-N 3.17Å
131L97.4Very high97.3Very high6 Ų675.8 Ų75.83%0.03137%0.366CS..Hα-helixtrans-60-43.9174.2-84.9176.4000112.6E112 V116 T127 E129 L133 K134 I135 V142 F146E112-L131 HydrophobicContact CG-CD2 3.8Å; V116-L131 HydrophobicContact CB-CD1 3.95Å; V116-L131 HydrophobicContact CG1-CD1 3.95Å; V116-L131 HydrophobicContact CG2-CD1 3.99Å; V116-L131 HydrophobicContact CG2-CD2 3.83Å; V116-L131 HydrophobicContact CG2-CG 4.21Å; T127-L131 WeakPolarHBondContact O-CB 3.24Å; T127-L131 WeakPolarHBondContact O-CG 3.2Å; T127-L131 PolarHBondContact O-N 3.08Å; T127-L131 VanDerWaalsContact O-N 3.09Å; E129-L131 PolarHBondContact O-N 2.77Å; L131-L133 VanDerWaalsContact C-N 3.32Å; L131-L133 PolarHBondContact O-N 3.36Å; L131-K134 PolarHBondContact O-N 3.14Å; L131-I135 VanDerWaalsContact O-CG1 3.23Å; L131-I135 WeakPolarHBondContact O-CG1 3.37Å; L131-I135 PolarHBondContact O-N 2.96Å; L131-V142 HydrophobicContact CB-CG1 4.42Å; L131-V142 HydrophobicContact CD1-CG1 4.33Å; L131-F146 HydrophobicContact CD1-CE2 4.02Å; L131-F146 HydrophobicContact CD1-CZ 4.25Å
132A97.8Very high97.3Very high7 Ų772.4 Ų72.46%0.05835%0.351CS..Hα-helixtrans-58.2-44.9-179.800000111.3R128 E129 E130 D136 L137 E139 V142R128-A132 WeakPolarHBondContact O-CB 3.48Å; R128-A132 PolarHBondContact O-N 3.47Å; E129-A132 WeakPolarHBondContact O-CB 3.49Å; E129-A132 PolarHBondContact O-N 3.06Å; E130-A132 PolarHBondContact O-N 2.92Å; A132-D136 PolarHBondContact O-N 3.32Å; A132-L137 CarbonylContact C-O 3.49Å; A132-L137 VanDerWaalsContact CB-O 3.3Å; A132-L137 WeakPolarHBondContact CB-O 3.36Å; A132-L137 PolarHBondContact O-N 3.21Å; A132-E139 HydrophobicContact CB-CB 4.49Å; A132-V142 HydrophobicContact CB-CG2 4.08Å
133L97.6Very high97.4Very high142 Ų14268.5 Ų68.574%0.74334%0.338SS*.Hα-helixtrans-64.1-45.3173.1-65.4171.6000112.1E129 E130 L131 I135E129-L133 WeakPolarHBondContact O-CG 3.27Å; E129-L133 PolarHBondContact O-N 3.29Å; E130-L133 PolarHBondContact O-N 3.09Å; L131-L133 VanDerWaalsContact C-N 3.32Å; L131-L133 PolarHBondContact O-N 3.36Å; L133-I135 VanDerWaalsContact C-N 3.26Å; L133-I135 PolarHBondContact O-N 3.16Å
134K96.5Very high97.4Very high120 Ų12071 Ų7152%0.52235%0.353SS..Hα-helixtrans-66-24.3-176.8-172.4173.7-177.8-176.80114.2E112 E130 L131E112-K134 VanDerWaalsContact CD-NZ 3.32Å; E112-K134 HydrophobicContact CG-CD 4.14Å; E112-K134 WeakPolarHBondContact OE1-CE 3.43Å; E112-K134 IonicContact OE1-NZ 3.59Å; E112-K134 PolarHBondContact OE1-NZ 3.14Å; E112-K134 IonicContact OE2-NZ 2.63Å; E130-K134 WeakPolarHBondContact O-CB 3.41Å; E130-K134 PolarHBondContact O-N 3.17Å; L131-K134 PolarHBondContact O-N 3.14Å
135I96.6Very high97.4Very high11 Ų1167.8 Ų67.86%0.05633%0.334CS..THydrogen-bonded Turntrans-117.210-174.679.7-170.1000113.8Q109 E112 L113 L131 L133 L137 V142Q109-I135 HydrophobicContact CB-CB 4.38Å; Q109-I135 HydrophobicContact CG-CB 4.08Å; Q109-I135 PolarHBondContact NE2-O 2.97Å; E112-I135 HydrophobicContact CB-CG2 3.98Å; E112-I135 HydrophobicContact CG-CG2 3.93Å; L113-I135 HydrophobicContact CD1-CD1 3.93Å; L113-I135 HydrophobicContact CD2-CD1 3.69Å; L113-I135 HydrophobicContact CG-CD1 3.73Å; L131-I135 VanDerWaalsContact O-CG1 3.23Å; L131-I135 WeakPolarHBondContact O-CG1 3.37Å; L131-I135 PolarHBondContact O-N 2.96Å; L133-I135 VanDerWaalsContact C-N 3.26Å; L133-I135 PolarHBondContact O-N 3.16Å; I135-L137 HydrophobicContact CD1-CD1 3.93Å; I135-L137 HydrophobicContact CG1-CB 4.03Å; I135-L137 HydrophobicContact CG1-CD1 3.93Å; I135-L137 HydrophobicContact CG1-CG 4.01Å; I135-V142 HydrophobicContact CD1-CG2 4.13Å
136D97.2Very high97.4Very high147 Ų14765.2 Ų65.279%0.78632%0.321SS*.THydrogen-bonded Turntrans54.548.1-178.7-61.2-58.6000114.2A132A132-D136 PolarHBondContact O-N 3.32Å
137L95.9Very high97.4Very high33 Ų3361.6 Ų61.617%0.17331%0.31CS..  trans-131.5166.9176.8-67.7179.4000111.1T103 F105 A132 I135 R141T103-L137 HydrophobicContact CG2-CD2 3.89Å; F105-L137 HydrophobicContact CD1-CD1 3.53Å; F105-L137 HydrophobicContact CE1-CD1 3.42Å; F105-L137 VanDerWaalsContact CE1-CD1 3.42Å; A132-L137 CarbonylContact C-O 3.49Å; A132-L137 VanDerWaalsContact CB-O 3.3Å; A132-L137 WeakPolarHBondContact CB-O 3.36Å; A132-L137 PolarHBondContact O-N 3.21Å; I135-L137 HydrophobicContact CD1-CD1 3.93Å; I135-L137 HydrophobicContact CG1-CB 4.03Å; I135-L137 HydrophobicContact CG1-CD1 3.93Å; I135-L137 HydrophobicContact CG1-CG 4.01Å; L137-R141 HydrophobicContact CB-CB 4.33Å
138T97.4Very high97.5Very high88 Ų8864.1 Ų64.154%0.5432%0.322SS..  trans-84.6149.7172730000111.1A140 R141 V142T138-A140 PolarHBondContact O-N 2.99Å; T138-A140 VanDerWaalsContact O-N 3.15Å; T138-R141 WeakPolarHBondContact O-CA 3.43Å; T138-R141 WeakPolarHBondContact O-CB 3.44Å; T138-R141 PolarHBondContact O-N 3.31Å; T138-V142 PolarHBondContact O-N 3.41Å
139E97.6Very high97.4Very high44 Ų4465.4 Ų65.421%0.20633%0.326CS..Hα-helixtrans-48.3-44.1176.4-173.9-7816200111.2I125 R128 E129 A132 R141 V142 Q143I125-E139 HydrophobicContact CD1-CG 3.97Å; R128-E139 HydrophobicContact CB-CG 4.03Å; R128-E139 IonicContact CZ-OE1 3.28Å; R128-E139 VanDerWaalsContact CZ-OE1 3.28Å; R128-E139 IonicContact NE-OE1 2.75Å; R128-E139 PolarHBondContact NE-OE1 3.03Å; R128-E139 IonicContact NH2-OE1 2.9Å; R128-E139 PolarHBondContact NH2-OE1 3.47Å; E129-E139 HydrophobicContact CG-CG 4.13Å; A132-E139 HydrophobicContact CB-CB 4.49Å; E139-R141 PolarHBondContact O-N 3.19Å; E139-V142 CarbonylContact O-C 3.56Å; E139-V142 WeakPolarHBondContact O-CA 3.41Å; E139-V142 WeakPolarHBondContact O-CB 3.48Å; E139-V142 PolarHBondContact O-N 3.32Å; E139-Q143 WeakPolarHBondContact O-CB 3.17Å; E139-Q143 PolarHBondContact O-N 3.42Å
140A97Very high97.4Very high38 Ų3863.6 Ų63.631%0.31432%0.316SS..Hα-helixtrans-62.3-25.317800000114.1T138 V144T138-A140 PolarHBondContact O-N 2.99Å; T138-A140 VanDerWaalsContact O-N 3.15Å; A140-V144 WeakPolarHBondContact O-CB 3.34Å; A140-V144 VanDerWaalsContact O-CG2 3.24Å; A140-V144 WeakPolarHBondContact O-CG2 3.24Å; A140-V144 PolarHBondContact O-N 3.46Å
141R97.3Very high97.4Very high93 Ų9359.5 Ų59.535%0.35130%0.304SS..Hα-helixtrans-73.8-43.3170.2-60.7-59.983.5160.54.6110.9T103 L137 T138 E139 V144 W145T103-R141 WeakPolarHBondContact OG1-CD 3.19Å; L137-R141 HydrophobicContact CB-CB 4.33Å; T138-R141 WeakPolarHBondContact O-CA 3.43Å; T138-R141 WeakPolarHBondContact O-CB 3.44Å; T138-R141 PolarHBondContact O-N 3.31Å; E139-R141 PolarHBondContact O-N 3.19Å; R141-V144 PolarHBondContact O-N 3.01Å; R141-W145 WeakPolarHBondContact O-CB 3.49Å; R141-W145 PolarHBondContact O-N 2.94Å
142V97.4Very high97.4Very high0 Ų065 Ų650%033%0.328CS..Hα-helixtrans-60.7-49.1176-179.40000109.9L113 R128 L131 A132 I135 T138 E139 V144 W145 F146L113-V142 HydrophobicContact CD2-CG1 3.96Å; L113-V142 HydrophobicContact CD2-CG2 4.48Å; R128-V142 HydrophobicContact CB-CG1 4.21Å; R128-V142 HydrophobicContact CG-CG1 4.2Å; L131-V142 HydrophobicContact CB-CG1 4.42Å; L131-V142 HydrophobicContact CD1-CG1 4.33Å; A132-V142 HydrophobicContact CB-CG2 4.08Å; I135-V142 HydrophobicContact CD1-CG2 4.13Å; T138-V142 PolarHBondContact O-N 3.41Å; E139-V142 CarbonylContact O-C 3.56Å; E139-V142 WeakPolarHBondContact O-CA 3.41Å; E139-V142 WeakPolarHBondContact O-CB 3.48Å; E139-V142 PolarHBondContact O-N 3.32Å; V142-V144 PolarHBondContact O-N 3.49Å; V142-W145 WeakPolarHBondContact O-CB 3.15Å; V142-W145 PolarHBondContact O-N 2.95Å; V142-W145 VanDerWaalsContact O-N 3.1Å; V142-F146 HydrophobicContact CG1-CD2 3.75Å; V142-F146 HydrophobicContact CG1-CE2 3.8Å; V142-F146 WeakPolarHBondContact O-CD2 3.43Å; V142-F146 PolarHBondContact O-N 3.02Å
143Q97.8Very high97.3Very high76 Ų7667.9 Ų67.936%0.35534%0.34SS..Hα-helixtrans-53.6-50.2176.4-165.9-156.722.700112E139 F146 Q147E139-Q143 WeakPolarHBondContact O-CB 3.17Å; E139-Q143 PolarHBondContact O-N 3.42Å; Q143-F146 PolarHBondContact O-N 2.95Å; Q143-Q147 WeakPolarHBondContact O-CG 3.43Å; Q143-Q147 PolarHBondContact O-N 3.31Å
144V97.8Very high97.2Very high59 Ų5967.5 Ų67.536%0.35833%0.328SS..Hα-helixtrans-66.1-36177.6169.90000111.9A140 R141 V142 N148A140-V144 WeakPolarHBondContact O-CB 3.34Å; A140-V144 VanDerWaalsContact O-CG2 3.24Å; A140-V144 WeakPolarHBondContact O-CG2 3.24Å; A140-V144 PolarHBondContact O-N 3.46Å; R141-V144 PolarHBondContact O-N 3.01Å; V142-V144 PolarHBondContact O-N 3.49Å; V144-N148 WeakPolarHBondContact CG1-ND2 3.21Å; V144-N148 WeakPolarHBondContact O-CB 3.47Å; V144-N148 PolarHBondContact O-N 3.25Å; V144-N148 PolarHBondContact O-ND2 3.03Å
145W97.6Very high97.1Very high25 Ų2569.5 Ų69.510%0.09534%0.337CS..Hα-helixtrans-62.5-48.7174.2-173101.1000111.3F105 L110 L113 E114 F117 R141 V142 Q147 N148 R149F105-W145 HydrophobicContact CE1-CB 4.29Å; F105-W145 AromaticContact CE1-CD1 3.79Å; F105-W145 HydrophobicContact CE1-CG 4.31Å; F105-W145 AromaticContact CE2-CD1 3.8Å; F105-W145 HydrophobicContact CZ-CB 4.01Å; F105-W145 AromaticContact CZ-CD1 3.63Å; F105-W145 HydrophobicContact CZ-CG 4.19Å; L110-W145 HydrophobicContact CD2-CZ2 4.27Å; L110-W145 VanDerWaalsContact CD2-NE1 3.28Å; L113-W145 HydrophobicContact CB-CD2 4.14Å; L113-W145 HydrophobicContact CB-CE3 4.02Å; L113-W145 HydrophobicContact CB-CH2 3.7Å; L113-W145 HydrophobicContact CB-CZ2 3.79Å; L113-W145 HydrophobicContact CB-CZ3 3.82Å; L113-W145 HydrophobicContact CD1-CD2 3.93Å; L113-W145 HydrophobicContact CD1-CE3 4.49Å; L113-W145 HydrophobicContact CD1-CG 3.97Å; L113-W145 HydrophobicContact CD2-CD2 4.46Å; L113-W145 HydrophobicContact CD2-CE3 4.26Å; L113-W145 HydrophobicContact CG-CD2 4.42Å; E114-W145 HydrophobicContact CG-CH2 3.81Å; E114-W145 HydrophobicContact CG-CZ2 3.95Å; F117-W145 HydrophobicContact CB-CH2 4.49Å; F117-W145 HydrophobicContact CB-CZ3 4.32Å; F117-W145 HydrophobicContact CD2-CZ3 4.45Å; R141-W145 WeakPolarHBondContact O-CB 3.49Å; R141-W145 PolarHBondContact O-N 2.94Å; V142-W145 WeakPolarHBondContact O-CB 3.15Å; V142-W145 PolarHBondContact O-N 2.95Å; V142-W145 VanDerWaalsContact O-N 3.1Å; W145-Q147 PolarHBondContact O-N 2.93Å; W145-N148 PolarHBondContact O-N 3.24Å; W145-R149 HydrophobicContact CE3-CB 4.09Å; W145-R149 HydrophobicContact CH2-CB 4.17Å; W145-R149 HydrophobicContact CH2-CG 3.88Å; W145-R149 HydrophobicContact CZ3-CB 3.86Å; W145-R149 HydrophobicContact CZ3-CG 3.9Å; W145-R149 WeakPolarHBondContact O-CB 3.3Å; W145-R149 PolarHBondContact O-N 2.94Å
146F98.3Very high96.8Very high1 Ų174.1 Ų74.10%0.00436%0.358CS..Hα-helixtrans-63.3-38.1178.5-89.5-90.4000112.5L113 V116 F117 P123 L131 V142 Q143 R149 R150L113-F146 HydrophobicContact CD2-CD2 4.47Å; L113-F146 HydrophobicContact CD2-CE2 3.83Å; V116-F146 HydrophobicContact CB-CZ 4.34Å; V116-F146 HydrophobicContact CG1-CZ 4.21Å; F117-F146 HydrophobicContact CB-CE1 3.97Å; F117-F146 HydrophobicContact CB-CZ 4.46Å; F117-F146 AromaticContact CD2-CD1 3.81Å; F117-F146 HydrophobicContact CD2-CD1 3.81Å; F117-F146 AromaticContact CD2-CE1 3.77Å; F117-F146 HydrophobicContact CD2-CE1 3.77Å; F117-F146 HydrophobicContact CG-CE1 4.39Å; P123-F146 VanDerWaalsContact CD-CD1 3.48Å; P123-F146 HydrophobicContact CG-CD1 3.67Å; P123-F146 HydrophobicContact CG-CD2 4.1Å; P123-F146 HydrophobicContact CG-CE1 3.56Å; P123-F146 HydrophobicContact CG-CE2 4.01Å; P123-F146 HydrophobicContact CG-CG 3.96Å; P123-F146 HydrophobicContact CG-CZ 3.75Å; L131-F146 HydrophobicContact CD1-CE2 4.02Å; L131-F146 HydrophobicContact CD1-CZ 4.25Å; V142-F146 HydrophobicContact CG1-CD2 3.75Å; V142-F146 HydrophobicContact CG1-CE2 3.8Å; V142-F146 WeakPolarHBondContact O-CD2 3.43Å; V142-F146 PolarHBondContact O-N 3.02Å; Q143-F146 PolarHBondContact O-N 2.95Å; F146-R149 PolarHBondContact O-N 3.08Å; F146-R150 WeakPolarHBondContact O-CG 3.47Å; F146-R150 PolarHBondContact O-N 2.97Å
147Q98.1Very high96.4Very high92 Ų9272.1 Ų72.143%0.4334%0.344SS..Hα-helixtrans-59.6-49.2172.3-72.117629.800111.8Q143 W145 R149 R150 A151Q143-Q147 WeakPolarHBondContact O-CG 3.43Å; Q143-Q147 PolarHBondContact O-N 3.31Å; W145-Q147 PolarHBondContact O-N 2.93Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; Q147-R149 PolarHBondContact O-N 3.28Å; Q147-R150 PolarHBondContact O-N 3.38Å; Q147-A151 WeakPolarHBondContact O-CB 3.48Å; Q147-A151 PolarHBondContact O-N 3.46Å
148N97.7Very high95.9Very high103 Ų10379.4 Ų79.455%0.55137%0.369SS*.Hα-helixtrans-63.6-39177.8-74.3-46.2000112.1V144 W145 A151 K152V144-N148 WeakPolarHBondContact CG1-ND2 3.21Å; V144-N148 WeakPolarHBondContact O-CB 3.47Å; V144-N148 PolarHBondContact O-N 3.25Å; V144-N148 PolarHBondContact O-ND2 3.03Å; W145-N148 PolarHBondContact O-N 3.24Å; N148-A151 PolarHBondContact O-N 2.83Å; N148-K152 PolarHBondContact O-N 3.01Å
149R97.8Very high95.3Very high71 Ų7178 Ų7827%0.26837%0.367SS..Hα-helixtrans-63.5-48.3177.4-173.666.3-174.4-158.6-5.2111.5E114 F117 W145 F146 Q147 A151 K152 F153E114-R149 IonicContact OE1-CZ 3.17Å; E114-R149 IonicContact OE1-NH1 2.62Å; E114-R149 PolarHBondContact OE1-NH1 3.05Å; E114-R149 IonicContact OE1-NH2 3.18Å; E114-R149 PolarHBondContact OE1-NH2 3.27Å; F117-R149 HydrophobicContact CD1-CG 4Å; F117-R149 HydrophobicContact CD2-CB 4.21Å; F117-R149 HydrophobicContact CD2-CG 3.53Å; F117-R149 HydrophobicContact CE1-CG 3.85Å; F117-R149 HydrophobicContact CE2-CB 3.97Å; F117-R149 HydrophobicContact CE2-CG 3.37Å; F117-R149 HydrophobicContact CG-CG 3.85Å; F117-R149 HydrophobicContact CZ-CB 4.47Å; F117-R149 HydrophobicContact CZ-CG 3.55Å; W145-R149 HydrophobicContact CE3-CB 4.09Å; W145-R149 HydrophobicContact CH2-CB 4.17Å; W145-R149 HydrophobicContact CH2-CG 3.88Å; W145-R149 HydrophobicContact CZ3-CB 3.86Å; W145-R149 HydrophobicContact CZ3-CG 3.9Å; W145-R149 WeakPolarHBondContact O-CB 3.3Å; W145-R149 PolarHBondContact O-N 2.94Å; F146-R149 PolarHBondContact O-N 3.08Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; Q147-R149 PolarHBondContact O-N 3.28Å; R149-A151 VanDerWaalsContact C-N 3.3Å; R149-A151 PolarHBondContact O-N 3.29Å; R149-K152 PolarHBondContact O-N 3.22Å; R149-F153 PolarHBondContact O-N 3.47Å
150R97.4Very high94.6Very high48 Ų4878.9 Ų78.918%0.18138%0.382CS..Hα-helixtrans-62.1-33.6173.9-72.1-167.3-65.1-95.85.3113.2F117 H121 F146 Q147 R154F117-R150 HydrophobicContact CE2-CG 3.91Å; F117-R150 HydrophobicContact CZ-CG 4.48Å; H121-R150 HydrophobicContact CB-CG 4.5Å; H121-R150 VanDerWaalsContact O-CD 3.27Å; H121-R150 WeakPolarHBondContact O-CD 3.45Å; H121-R150 PolarHBondContact O-NH1 3.4Å; F146-R150 WeakPolarHBondContact O-CG 3.47Å; F146-R150 PolarHBondContact O-N 2.97Å; Q147-R150 PolarHBondContact O-N 3.38Å; R150-R154 WeakPolarHBondContact O-CG 3.48Å; R150-R154 PolarHBondContact O-N 3.38Å; R150-R154 VanDerWaalsContact O-N 3.14Å
151A97.3Very high93.8Very high45 Ų4580.1 Ų80.137%0.37239%0.392SS..Hα-helixtrans-66.5-43.4174.400000111.7Q147 N148 R149 K155Q147-A151 WeakPolarHBondContact O-CB 3.48Å; Q147-A151 PolarHBondContact O-N 3.46Å; N148-A151 PolarHBondContact O-N 2.83Å; R149-A151 VanDerWaalsContact C-N 3.3Å; R149-A151 PolarHBondContact O-N 3.29Å; A151-K155 PolarHBondContact O-N 2.95Å; A151-K155 VanDerWaalsContact O-N 3.14Å
152K96.4Very high92.9Very high121 Ų12178.7 Ų78.753%0.52640%0.4SS..Hα-helixtrans-63.7-43.8174.9-171.8-179.8177.3-174.50111.8N148 R149 K155 Q156N148-K152 PolarHBondContact O-N 3.01Å; R149-K152 PolarHBondContact O-N 3.22Å; K152-K155 WeakPolarHBondContact O-CB 3.49Å; K152-K155 PolarHBondContact O-N 2.98Å; K152-Q156 WeakPolarHBondContact O-CG 3.46Å; K152-Q156 PolarHBondContact O-N 3.37Å
153F95.7Very high92Very high69 Ų6981.7 Ų81.730%0.30343%0.425SS..Hα-helixtrans-56-56.1177.5-175.7-94.4000111.8F117 R149 K155 Q156 E157F117-F153 HydrophobicContact CE1-CD2 4.42Å; F117-F153 HydrophobicContact CZ-CB 4.38Å; R149-F153 PolarHBondContact O-N 3.47Å; F153-K155 PolarHBondContact O-N 3.44Å; F153-K155 VanDerWaalsContact O-N 3.16Å; F153-Q156 WeakPolarHBondContact O-CB 3.38Å; F153-Q156 PolarHBondContact O-N 3.38Å; F153-E157 HydrophobicContact CD1-CG 4.44Å; F153-E157 HydrophobicContact CE1-CG 4.13Å; F153-E157 WeakPolarHBondContact CE1-OE1 3.45Å; F153-E157 WeakPolarHBondContact CE1-OE2 3.46Å; F153-E157 HydrophobicContact CZ-CG 4.43Å; F153-E157 PolarHBondContact O-N 3.4Å; F153-E157 VanDerWaalsContact O-N 3.09Å
154R95.7Very high90.8Very high134 Ų13480.9 Ų80.951%0.50643%0.431SS..Hα-helixtrans-59.9-28.6176.8-69.4-175.2-64.3158.2-0.6113.6R150 R158R150-R154 WeakPolarHBondContact O-CG 3.48Å; R150-R154 PolarHBondContact O-N 3.38Å; R150-R154 VanDerWaalsContact O-N 3.14Å; R154-R158 VanDerWaalsContact O-CG 3.3Å; R154-R158 WeakPolarHBondContact O-CG 3.49Å; R154-R158 PolarHBondContact O-N 2.97Å
155K94.5Very high89.5Confident162 Ų16281.1 Ų81.170%0.70444%0.439SS*.Hα-helixtrans-72-38.4173.7-173.6175.9179.9178.60111.8A151 K152 F153 A159A151-K155 PolarHBondContact O-N 2.95Å; A151-K155 VanDerWaalsContact O-N 3.14Å; K152-K155 WeakPolarHBondContact O-CB 3.49Å; K152-K155 PolarHBondContact O-N 2.98Å; F153-K155 PolarHBondContact O-N 3.44Å; F153-K155 VanDerWaalsContact O-N 3.16Å; K155-A159 WeakPolarHBondContact O-CB 3.33Å; K155-A159 PolarHBondContact O-N 3.5Å
156Q91.9Very high87.9Confident107 Ų10783.2 Ų83.250%0.546%0.462SS..Hα-helixtrans-67-44178.2-73.6174.5-45.800111.7K152 F153 R158 A159 A160K152-Q156 WeakPolarHBondContact O-CG 3.46Å; K152-Q156 PolarHBondContact O-N 3.37Å; F153-Q156 WeakPolarHBondContact O-CB 3.38Å; F153-Q156 PolarHBondContact O-N 3.38Å; Q156-R158 PolarHBondContact O-N 3.29Å; Q156-A159 PolarHBondContact O-N 3.33Å; Q156-A160 PolarHBondContact O-N 3.29Å
157E88.1Confident86.2Confident105 Ų10586.9 Ų86.949%0.49149%0.493SS..Hα-helixtrans-59-46.3175.4-65.4176.8128.400112.1F153 A159 A160 A161F153-E157 HydrophobicContact CD1-CG 4.44Å; F153-E157 HydrophobicContact CE1-CG 4.13Å; F153-E157 WeakPolarHBondContact CE1-OE1 3.45Å; F153-E157 WeakPolarHBondContact CE1-OE2 3.46Å; F153-E157 HydrophobicContact CZ-CG 4.43Å; F153-E157 PolarHBondContact O-N 3.4Å; F153-E157 VanDerWaalsContact O-N 3.09Å; E157-A159 PolarHBondContact O-N 3.22Å; E157-A160 PolarHBondContact O-N 2.98Å; E157-A161 WeakPolarHBondContact O-CB 3.45Å; E157-A161 PolarHBondContact O-N 3.27Å
158R86Confident84.3Confident186 Ų18691.4 Ų91.470%0.70251%0.511SS*.Hα-helixtrans-64.4-37.5177.1-70.2175.9-172.6-150.7-1.9112.7R154 Q156 A162R154-R158 VanDerWaalsContact O-CG 3.3Å; R154-R158 WeakPolarHBondContact O-CG 3.49Å; R154-R158 PolarHBondContact O-N 2.97Å; Q156-R158 PolarHBondContact O-N 3.29Å; R158-A162 WeakPolarHBondContact O-CB 3.42Å; R158-A162 PolarHBondContact O-N 3.11Å
159A84.6Confident82Confident59 Ų5993.5 Ų93.549%0.48852%0.522SS..Hα-helixtrans-67.2-40.6176.200000111.8K155 Q156 E157 A162 A163K155-A159 WeakPolarHBondContact O-CB 3.33Å; K155-A159 PolarHBondContact O-N 3.5Å; Q156-A159 PolarHBondContact O-N 3.33Å; E157-A159 PolarHBondContact O-N 3.22Å; A159-A162 PolarHBondContact O-N 3.39Å; A159-A163 WeakPolarHBondContact O-CB 3.46Å; A159-A163 PolarHBondContact O-N 3.48Å
160A81.6Confident79.7Confident63 Ų6393.1 Ų93.152%0.52154%0.54SS..Hα-helixtrans-64.1-44.2174.800000111.9Q156 E157 A163 A164Q156-A160 PolarHBondContact O-N 3.29Å; E157-A160 PolarHBondContact O-N 2.98Å; A160-A163 PolarHBondContact O-N 3.07Å; A160-A164 WeakPolarHBondContact O-CB 3.39Å; A160-A164 PolarHBondContact O-N 3.32Å
161A79.9Confident77.3Confident63 Ų6396.3 Ų96.352%0.52157%0.57SS.*Hα-helixtrans-62.6-42.6175.500000112.5E157 A164 A165E157-A161 WeakPolarHBondContact O-CB 3.45Å; E157-A161 PolarHBondContact O-N 3.27Å; A161-A164 PolarHBondContact O-N 3.06Å; A161-A165 WeakPolarHBondContact O-CB 3.49Å; A161-A165 PolarHBondContact O-N 3.06Å
162A80.3Confident74.9Confident63 Ų6399.3 Ų99.352%0.52159%0.588SS.*Hα-helixtrans-65.2-40.4176.600000112.5R158 A159 A165 A166R158-A162 WeakPolarHBondContact O-CB 3.42Å; R158-A162 PolarHBondContact O-N 3.11Å; A159-A162 PolarHBondContact O-N 3.39Å; A162-A165 PolarHBondContact O-N 3.21Å; A162-A166 PolarHBondContact O-N 3.28Å
163A76.9Confident72.7Confident64 Ų6497.1 Ų97.153%0.52960%0.6SS.*Hα-helixtrans-64.6-41175.100000112.1A159 A160 A166 A167A159-A163 WeakPolarHBondContact O-CB 3.46Å; A159-A163 PolarHBondContact O-N 3.48Å; A160-A163 PolarHBondContact O-N 3.07Å; A163-A166 PolarHBondContact O-N 3.48Å; A163-A167 PolarHBondContact O-N 3.28Å
164A72.5Confident70.1Confident59 Ų59102.6 Ų102.649%0.48862%0.624SS.*Hα-helixtrans-65.3-38.2175.400000112.6A160 A161 A167 K168A160-A164 WeakPolarHBondContact O-CB 3.39Å; A160-A164 PolarHBondContact O-N 3.32Å; A161-A164 PolarHBondContact O-N 3.06Å; A164-A167 PolarHBondContact O-N 3.13Å; A164-K168 WeakPolarHBondContact O-CG 3.24Å; A164-K168 PolarHBondContact O-N 2.82Å
165A70.6Confident67.7Low63 Ų63106.3 Ų106.352%0.52164%0.643SS.*Hα-helixtrans-65.8-42.3174.200000112.1A161 A162 A167 K168 N169A161-A165 WeakPolarHBondContact O-CB 3.49Å; A161-A165 PolarHBondContact O-N 3.06Å; A162-A165 PolarHBondContact O-N 3.21Å; A165-A167 PolarHBondContact O-N 3.48Å; A165-K168 PolarHBondContact O-N 3Å; A165-N169 PolarHBondContact O-N 3.46Å
166A64.4Low65.1Low70 Ų70103.5 Ų103.558%0.57964%0.64SS**Hα-helixtrans-61.8-41.6175.300000112.2A162 A163 K168 N169 G170A162-A166 PolarHBondContact O-N 3.28Å; A163-A166 PolarHBondContact O-N 3.48Å; A166-K168 VanDerWaalsContact C-N 3.31Å; A166-K168 PolarHBondContact O-N 3.45Å; A166-N169 PolarHBondContact O-N 3.15Å; A166-G170 PolarHBondContact O-N 2.95Å
167A62.7Low62.7Low78 Ų78105.2 Ų105.265%0.64565%0.652SS**Hα-helixtrans-63.6-33.4177.100000113.2A163 A164 A165A163-A167 PolarHBondContact O-N 3.28Å; A164-A167 PolarHBondContact O-N 3.13Å; A165-A167 PolarHBondContact O-N 3.48Å
168K57.7Low60.6Low186 Ų186105.3 Ų105.381%0.80967%0.665SS**Hα-helixtrans-74.5-24.7177.7-71.8-116.8178.2177.90113.8A164 A165 A166A164-K168 WeakPolarHBondContact O-CG 3.24Å; A164-K168 PolarHBondContact O-N 2.82Å; A165-K168 PolarHBondContact O-N 3Å; A166-K168 VanDerWaalsContact C-N 3.31Å; A166-K168 PolarHBondContact O-N 3.45Å
169N51Low58.6Low148 Ų148101.6 Ų101.679%0.79167%0.667SS**THydrogen-bonded Turntrans-93.91.5-178.5-141.813.9000113.7A165 A166A165-N169 PolarHBondContact O-N 3.46Å; A166-N169 PolarHBondContact O-N 3.15Å
170G47.8Very low56.9Low63 Ų63109.4 Ų109.465%0.64968%0.684SS**  trans-93.50.2179.900000115.7A166 S172A166-G170 PolarHBondContact O-N 2.95Å; G170-S172 VanDerWaalsContact C-N 3.26Å; G170-S172 PolarHBondContact O-N 3.13Å; G170-S172 VanDerWaalsContact O-N 3.13Å
171S47.6Very low55.1Low114 Ų114114.6 Ų114.680%0.79770%0.703SS**  trans-8630.6-169.2-168.90000114.9
172S48.1Very low53.4Low109 Ų109118.3 Ų118.376%0.76271%0.714SS**SBendtrans-144.188.4174.561.60000112.9G170G170-S172 VanDerWaalsContact C-N 3.26Å; G170-S172 PolarHBondContact O-N 3.13Å; G170-S172 VanDerWaalsContact O-N 3.13Å
173G49Very low51.6Low75 Ų75124.1 Ų124.177%0.77373%0.731SS**  trans10083.1149.900000118.3
174K40.2Very low50.1Low184 Ų184125.5 Ų125.580%0.874%0.737SS**  trans-150.1102136-154.890.8177.4-166.50110.8
175K46.8Very low48.8Very low211 Ų211133 Ų13392%0.91776%0.758SS**  trans-98.3116.9159.3-68.7-174.1-179.3-175.50107.6
176T40.1Very low47.2Very low103 Ų103138.3 Ų138.363%0.63277%0.772SS**  trans-160.188.7165.944.70000103.3
177D39.7Very low46.2Very low143 Ų143140.2 Ų140.277%0.76579%0.788SS**  60.1123.872.3-163.9-96000113.8
178S45.4Very low45.1Very low107 Ų107144.9 Ų144.975%0.74879%0.794SS**  trans47151.1168.558.30000119.7
179S44.5Very low44Very low109 Ų109141.5 Ų141.576%0.76279%0.793SS**  cis-135163.94.2-172.10000111.7
180R47.9Very low43.6Very low223 Ų223139.7 Ų139.784%0.84279%0.788SS**  trans-69.7153.4159.8-63.7161.6172.9164.4-5.2109.5
181D43Very low43.4Very low171 Ų171143.5 Ų143.591%0.91479%0.793SS**  -154.2146.1125.2-87.5-41.7000109.6
182D44Very low44Very low142 Ų142143.5 Ų143.576%0.75979%0.791SS**  trans-135.2124.6-173.6176.9-69.8000106.4
183E44Very low43.3Very low184 Ų184145.3 Ų145.386%0.8679%0.792SS**  trans-163108146.4-160.9135.173.800113
184S44.3Very low43Very low94 Ų94145.9 Ų145.966%0.65778%0.784SS**  trans22.9127.1135.8-51.50000121.5
185K46.3Very low43.1Very low217 Ų217143.9 Ų143.994%0.94379%0.787SS**  -143.4132.7117.6-127.7-178.1-172.7-178.10114.3
186E36.6Very low42.6Very low174 Ų174137.7 Ų137.781%0.81378%0.783SS**  trans-92.6141.4-172.6-179.4-176.3108.500111.8
187A42.3Very low42.4Very low109 Ų109136.4 Ų136.490%0.90179%0.79SS**  trans-149.9107.9155.900000109.2
188K40.8Very low43Very low177 Ų177135.7 Ų135.777%0.7779%0.793SS**  trans-103.5134.6-174.3165.5-174.9175.5-178.30110.5
189S34.7Very low42.6Very low114 Ų114134.3 Ų134.380%0.79780%0.796SS**  trans-167.2140.5147.345.50000114.4
190T42.7Very low43Very low111 Ų111135.3 Ų135.368%0.68180%0.8SS**  trans-151.5166.617666.60000107.1
191D43.8Very low43.2Very low142 Ų142131.7 Ų131.776%0.75980%0.798SS**  cis-117.1-81.94.9-72.8-97.8000113.7
192P59.5Low43.7Very low115 Ų115128.9 Ų128.975%0.74779%0.789SS**  trans-143.1172.5-13242.5-22.3000119.6
193D34.8Very low43.9Very low147 Ų147128.2 Ų128.279%0.78679%0.785SS**  trans83.8143.6141.3-150.354.3000123.6
194S41.8Very low44Very low87 Ų87124.8 Ų124.861%0.60878%0.779SS**  trans82.3111149.6-93.80000124.8
195T42.4Very low43.9Very low142 Ų142125.9 Ų125.987%0.87178%0.782SS**  87.4112.7125.9-58.30000120.3
196G35.5Very low44.4Very low81 Ų81121.3 Ų121.384%0.83577%0.774SS**  trans151.296.1157.800000116.2
197G37.2Very low44.4Very low75 Ų75118.7 Ų118.777%0.77378%0.775SS**  trans-111.8-165.2156.200000110.3
198P52.2Low43.8Very low128 Ų128119.4 Ų119.483%0.83177%0.772SS**  cis-137.4142-17.137.4-19.9000115.2
199G36.4Very low43.4Very low79 Ų79114.6 Ų114.681%0.81477%0.773SS**  trans62.8-171.3160.600000117.9
200P53.1Low43.5Very low130 Ų130113.6 Ų113.684%0.84477%0.772SS**  cis-121.5178.4-541.2-27.4000114.9
201N51.5Low43.4Very low147 Ų147116.6 Ų116.679%0.78678%0.783SS**  trans-78.7146.4177-17926.7000113
202P53.8Low42.8Very low112 Ų112113.4 Ų113.473%0.72778%0.784SS**  trans-128.3121.6150.134.6-21.1000113.5
203N48.2Very low41.6Very low127 Ų127111.6 Ų111.668%0.67979%0.787SS**  trans-75.7140.7159.4176.233.5000109.7
204P46.9Very low41.5Very low112 Ų112108.8 Ų108.873%0.72779%0.792SS**  trans-140.3145.1134.536-22.4000115.2
205T41.7Very low41Very low118 Ų118108.6 Ų108.672%0.72480%0.804SS**  trans-127.4167.8153.457.10000107.2
206P55.8Low40.5Very low120 Ų120105.7 Ų105.778%0.77980%0.802SS**  cis-133.3-1545.341-21.4000113.5
207S37.7Very low40.4Very low120 Ų120105.5 Ų105.584%0.83980%0.8SS**  trans85.5142.8173.6-132.70000115.1
208C29.5Very low40.9Very low124 Ų124108 Ų10884%0.83880%0.803SS**  cis-155.6168.10.751.70000112
209G31.6Very low40.4Very low76 Ų76107.2 Ų107.278%0.78480%0.8SS**  trans112.2135.2156.700000116.9
210A36.8Very low41Very low93 Ų93109.8 Ų109.877%0.76980%0.802SS**  cis167.6107.5-29.600000107.5
211N41.3Very low40.1Very low173 Ų173108.7 Ų108.793%0.92580%0.804SS**  trans169.7129.4153.8-97.3-45000105.6
212G32.2Very low39Very low76 Ų76105.5 Ų105.578%0.78481%0.807SS**  cis114.312226.400000107.6
213G32.6Very low38Very low77 Ų77104.9 Ų104.979%0.79481%0.811SS**  cis179.7171-5.500000110.9
214G32.8Very low38.3Very low88 Ų88105 Ų10591%0.90782%0.819SS**  trans72.9143170.900000116.5
215G31.9Very low37.5Very low83 Ų83103.4 Ų103.486%0.85682%0.822SS**  cis150.7140-3.100000111.2
216G31.6Very low37.2Very low81 Ų81103 Ų10384%0.83583%0.831SS**  trans110.8111.2168.200000116.4
217G34.1Very low36.1Very low76 Ų76102.1 Ų102.178%0.78483%0.834SS**  trans-78.5-163.914700000110.6
218P47.6Very low35.7Very low129 Ų12999.9 Ų99.984%0.83883%0.83SS**  cis-138.2-179.936.639.2-20.5000115.9
219S41.4Very low36.8Very low110 Ų110100.5 Ų100.577%0.76983%0.832SS**  trans-66.7166.3162.5-48.30000112
220P50Low36.8Very low133 Ų133100.5 Ų100.586%0.86483%0.832SS**  -142.8-175.597.636.5-20.1000115.1
221A32.7Very low36.5Very low107 Ų10799.7 Ų99.788%0.88483%0.833SS**  trans-89.5170-166.500000115.8
222G29.9Very low36.9Very low81 Ų8197.8 Ų97.884%0.83583%0.83SS**  trans170.5121.6165.200000114
223A33Very low36.7Very low99 Ų9998.2 Ų98.282%0.81883%0.834SS**  trans-110.6-164.8168.800000108.9
224P53.2Low36.7Very low129 Ų12998.5 Ų98.584%0.83884%0.837SS**  cis-129.1-174.3-28.934.1-14.9000113
225G31.2Very low36.8Very low78 Ų78103.2 Ų103.280%0.80484%0.836SS**  trans104.3153.8163.500000115.5
226A35.3Very low37.7Very low109 Ų109105.1 Ų105.190%0.90183%0.833SS**  cis-148.1-174.66.400000112.7
227A31.4Very low37.6Very low103 Ų103104.8 Ų104.885%0.85183%0.829SS**  trans-67.5168.8-169.100000116.8
228G29.6Very low37.5Very low73 Ų73111.2 Ų111.275%0.75384%0.836SS**  trans-77.4-135.7170.600000112.9
229P51.8Low36.7Very low137 Ų137109.2 Ų109.289%0.8984%0.838SS**  cis-129.7-170-4.242.5-26.1000113.3
230G31.8Very low36.1Very low75 Ų75107.6 Ų107.677%0.77384%0.839SS**  trans132.1119.3154.200000117.5
231G30.6Very low35.4Very low76 Ų76106.7 Ų106.778%0.78484%0.843SS**  trans-91.6-149.1155.700000110.6
232P49.8Very low35.3Very low134 Ų134106.1 Ų106.187%0.8784%0.838SS**  cis-137.4-178.9-0.642.7-26.2000115.2
233G29.4Very low35.4Very low85 Ų85107.2 Ų107.288%0.87684%0.839SS**  trans91.3133.3143.200000119
234G31.6Very low35.3Very low83 Ų83107.7 Ų107.786%0.85684%0.843SS**  trans154.863.7170.200000117
235E35Very low34.3Very low186 Ų186106.4 Ų106.487%0.86984%0.844SS**  trans-79.4179.3158.7-69.7-175.481.900110.7
236P49.8Very low34.4Very low124 Ų124107.8 Ų107.881%0.80585%0.847SS**  -126.7167.7-51.835.4-22000111.4
237G31.3Very low34.3Very low73 Ų73107.7 Ų107.775%0.75385%0.846SS**  trans170.5115.8165.400000120.1
238K31.2Very low34.4Very low212 Ų212107.8 Ų107.892%0.92285%0.847SS**  trans57.7122.1145.8-67.3-179.7173.7178.10120.7
239G30.5Very low34.6Very low86 Ų86109.2 Ų109.289%0.88785%0.852SS**  93.3111.412300000116.9
240G29.9Very low33.7Very low77 Ų77107.8 Ų107.879%0.79485%0.852SS**  trans-168.242-179.700000114.7A242G240-A242 PolarHBondContact O-N 3.22Å
241A34.9Very low33.8Very low114 Ų114109.1 Ų109.194%0.94286%0.856SS**  trans-72.9105.7168.900000109.4
242A31Very low33.9Very low94 Ų94110.5 Ų110.578%0.77786%0.859SS**  trans-147151.8176.300000111.9G240G240-A242 PolarHBondContact O-N 3.22Å
243A31.1Very low33Very low105 Ų105108.9 Ų108.987%0.86886%0.857SS**  trans75.475.8172.100000118.3
244A30.2Very low33.1Very low109 Ų109109.9 Ų109.990%0.90186%0.858SS**  trans-13759.6152.800000111.5
245A33.6Very low33.1Very low102 Ų102111.2 Ų111.284%0.84386%0.86SS**  trans-137.477.5176.500000111.2
246A32.9Very low33Very low106 Ų106107.1 Ų107.188%0.87686%0.858SS**  trans-166.773.4170.600000112.5
247A33.2Very low32.1Very low107 Ų107106 Ų10688%0.88486%0.859SS**  trans-155.334.3168.500000114.2
248A33.9Very low32.2Very low106 Ų106107.3 Ų107.388%0.87686%0.863SS**  trans-102.883.1173.100000110.4
249A33.3Very low32.3Very low102 Ų102102.2 Ų102.284%0.84386%0.861SS**  trans-1666817400000113.3
250A33.6Very low32.6Very low107 Ų107103.5 Ų103.588%0.88486%0.863SS**  trans-169.553.3162.900000113.2
251A32.9Very low32.6Very low104 Ų104103.5 Ų103.586%0.8686%0.863SS**  trans-145.172.8176.600000111.7
252A32.8Very low32.4Very low104 Ų104101.8 Ų101.886%0.8686%0.857SS**  trans-156.473173.900000111.1
253A30.5Very low32.3Very low100 Ų100105.7 Ų105.783%0.82686%0.863SS**  trans-161.8140.4163.900000110.7
254A31.2Very low32.2Very low107 Ų107105.2 Ų105.288%0.88486%0.86SS**  trans70.279172.600000117.8
255A31.5Very low32.4Very low110 Ų110105.1 Ų105.191%0.90986%0.858SS**  trans-135.670.7152.900000109.7
256A34.9Very low32.5Very low101 Ų101105.6 Ų105.684%0.83586%0.863SS**  trans-163.888.6174.100000111.6
257A30.8Very low32.5Very low100 Ų100104.5 Ų104.583%0.82686%0.861SS**  trans-169.4146.5162.400000111.3
258A32.3Very low32.6Very low100 Ų100103 Ų10383%0.82686%0.856SS**  trans61.8101.517600000115.2
259A32.9Very low33.3Very low106 Ų106104.2 Ų104.288%0.87686%0.855SS**  cis79.6140.838.700000115
260A36.6Very low33.4Very low112 Ų112102.3 Ų102.393%0.92685%0.846SS**  trans-72.3156.5-171.700000114.4
261G31.7Very low33.5Very low78 Ų78106.9 Ų106.980%0.80485%0.849SS**  trans172.9114.4165.100000115.7
262G29.1Very low33.5Very low78 Ų78105.1 Ų105.180%0.80484%0.841SS**  trans76.4119.715900000116.4
263L29.7Very low33.6Very low176 Ų176113 Ų11392%0.92185%0.848SS**  cis93.5123.546.3-167.483.2000113.3
264A29.7Very low34Very low95 Ų95112.6 Ų112.679%0.78585%0.845SS**  trans66.2111.6161.400000120.3
265A33.4Very low35.1Very low106 Ų106113.9 Ų113.988%0.87684%0.844SS**  -161.3124.3117.400000109.9
266A35Very low35.2Very low113 Ų113112 Ų11293%0.93484%0.836SS**  trans-95.2144.917200000110.3
267G33.1Very low36.7Very low82 Ų82113.9 Ų113.985%0.84584%0.839SS**  trans-163.495.3175.900000111.4
268G36.4Very low37Very low76 Ų76112.4 Ų112.478%0.78483%0.834SS**  trans-96.8152.8171.400000111.6
269P47.9Very low38.3Very low131 Ų131113.7 Ų113.785%0.85183%0.834SS**  trans-100.1138-17935.7-31.5000114.4
270G34.7Very low38.6Very low63 Ų63116.4 Ų116.465%0.64983%0.832SS**  trans89.1116.8139.300000119.3
271Q36Very low38.9Very low203 Ų203117 Ų11795%0.94982%0.824SS**  174.6145.4107.5-91.7158.1105.700113
272G34.4Very low39.4Very low66 Ų66118.7 Ų118.768%0.6882%0.824SS**  trans92.5105.9130.700000121
273W34.2Very low40.3Very low269 Ų269122.3 Ų122.3100%1.01982%0.823SS**  trans83.5145.7144.7-61.7-2.4000120.8
274A39Very low41.4Very low92 Ų92120 Ų12076%0.7682%0.819SS**  trans-125-173.617600000107.5
275P53.3Low41.9Very low134 Ų134121.9 Ų121.987%0.8782%0.816SS**  cis-134.7-176.8-2.142.5-25.5000114.8
276G34.4Very low42.5Very low71 Ų71120.8 Ų120.873%0.73280%0.802SS**  trans133.1125.7155.900000116.3
277P66Low43Very low140 Ų140123.7 Ų123.791%0.90980%0.8SS**  trans-99139.9173.535.9-29.9000112.8
278G37.1Very low43.3Very low69 Ų69123.5 Ų123.571%0.71180%0.798SS**  trans-156.5128172.800000111.1
279P59.1Low43.3Very low128 Ų128123.5 Ų123.583%0.83180%0.798SS**  trans-100.3126.4-174.435-29.6000112.2
280I40.5Very low43.4Very low162 Ų162122.5 Ų122.583%0.83179%0.792SS**  trans-146.4120161.64.3179.8000113.3
281T41.8Very low43.6Very low124 Ų124129.7 Ų129.776%0.76181%0.806SS**  trans-13.6134.6152.1550000118.1
282S42.1Very low44.1Very low114 Ų114124.5 Ų124.580%0.79780%0.798SS**  -173.3131.5112.939.80000112.3
283I47.8Very low44.5Very low155 Ų155127.2 Ų127.280%0.79581%0.806SS**  trans-77.7146.2164-66.7159.7000107.5D285I283-D285 HydrophobicContact CG2-CB 4.21Å
284P53.7Low45.1Very low128 Ų128121.3 Ų121.383%0.83180%0.8SS**  -117.2129.4129.432.3-31.3000111.8
285D41Very low45.3Very low134 Ų134125 Ų12572%0.71781%0.806SS**  trans-84.4170.2173.6178.7-110.9000110.2I283I283-D285 HydrophobicContact CG2-CB 4.21Å
286S45.8Very low44.6Very low83 Ų83123.4 Ų123.458%0.5880%0.798SS**  trans99131.2143.4-109.10000120.9
287L45.5Very low44.7Very low173 Ų173125.4 Ų125.491%0.90680%0.801SS**  trans73114.7160.9-47.5175.7000116.9
288G38.3Very low43.5Very low78 Ų78125.9 Ų125.980%0.80480%0.795SS**  cis-173165.7-2.200000112.4
289G36.8Very low44Very low76 Ų76130.5 Ų130.578%0.78480%0.798SS**  trans-75.3-168.5175.500000113.7
290P50Low43.2Very low111 Ų111135.3 Ų135.372%0.72180%0.799SS**  cis-132.6146.635.638.5-23.1000116.1
291F39.9Very low43.8Very low214 Ų214133.2 Ų133.294%0.93980%0.796SS**SBendtrans16461138.6-84.9-56.2000110
292A45.7Very low43.9Very low94 Ų94135 Ų13578%0.77780%0.801SS**  trans-148.484.4176.900000111.5
293S43.3Very low43.9Very low122 Ų122132.9 Ų132.985%0.85380%0.797SS**  trans169.2120.1144.3-81.50000111
294V45.4Very low43.6Very low146 Ų146130.1 Ų130.189%0.88580%0.797SS**  -152.3123.5120.9147.90000106.1
295L43.9Very low43.1Very low169 Ų169134.1 Ų134.189%0.88580%0.802SS**  trans-99.3161.1169.6-95.1165.6000109.5
296S37.7Very low43.1Very low101 Ų101132.8 Ų132.871%0.70681%0.809SS**  trans80.199.3155.5-154.90000119.5
297S38.3Very low43Very low113 Ų113134.1 Ų134.179%0.7983%0.825SS**  -167.8110.4125.9-81.90000108.5
298L39.5Very low42.9Very low150 Ų150134 Ų13479%0.78582%0.824SS**  84.3136.883.8-124.476.4000114.4
299Q48.4Very low43.3Very low165 Ų165136.9 Ų136.977%0.77183%0.826SS**  trans72.197.5163.6-126.461.83.100120.9
300R41.1Very low43.6Very low230 Ų230143.4 Ų143.487%0.86883%0.833SS**  trans-105.4115.5154.3179.5-174.4-69.8-148.6-0.7108N302R300-N302 PolarHBondContact O-N 3.23Å
301P52.9Low43.7Very low117 Ų117143.5 Ų143.576%0.7684%0.836SS**  trans-79.5120.9175.829.8-31.1000110.9
302N45.5Very low44.3Very low162 Ų162138.3 Ų138.387%0.86683%0.827SS**  trans-83.6153.3163.3-113.9-29.5000109.6R300R300-N302 PolarHBondContact O-N 3.23Å
303G41Very low44.5Very low69 Ų69142.2 Ų142.271%0.71183%0.831SS**  trans-87.3-175.6-17600000115.6
304A42.6Very low44.7Very low97 Ų97149.9 Ų149.980%0.80285%0.849SS**  trans75.69116200000119.8
305K41.8Very low44.7Very low213 Ų213150.1 Ų150.193%0.92685%0.848SS**  36.2118.8122.4-60.2-178.4179.4-1780119.7
306A41.4Very low44.8Very low106 Ų106149.1 Ų149.188%0.87685%0.846SS**  -152.4121.712800000109.6
307A44.1Very low45.1Very low110 Ų110151.7 Ų151.791%0.90985%0.853SS**  trans-99.6125.5175.400000109.8
308L43.9Very low45.5Very low171 Ų171154 Ų15490%0.89586%0.857SS**  trans-113.997.9-179.2177.4102000109.9
309V46.2Very low45.9Very low139 Ų139154.3 Ų154.384%0.84286%0.861SS**  trans-147.4107.5156.4-1790000109.3
310K43.2Very low45.8Very low212 Ų212153.5 Ų153.592%0.92287%0.868SS**  trans-166.497.2150.3-112.8169.2-176.1179.10110.8
311S52.6Low46.1Very low113 Ų113148.1 Ų148.179%0.7987%0.868SS**  trans-145107.3161-168.20000103.6
312S50.9Low45.6Very low106 Ų106150.5 Ų150.574%0.74188%0.876SS**  68.976.852-169.40000113.3
313M51.4Low45.6Very low176 Ų176149.5 Ų149.587%0.86788%0.877SS**  trans-170.2131.2140.2-105.2163.6-168.800111.1
314F47.7Very low46Very low282 Ų282156.8 Ų156.8100%1.23789%0.892SS**  trans59.50172.5-78-90.2000118.4

Retrieved 314 of 314 residues in 161.4 ms (Link to these results)