A0A077ZGZ6_TRITR Loading...

Proteasome activator complex subunit 3

AlphaFold DB , UniProt , Accession A0A077ZGZ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 352 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
1M41.4Very low41.7Very low213 Ų213131.3 Ų131.3100%1.04964%0.635SS**  0-48.30-138.9170.5-168.900111.8W3 R4M1-W3 VanDerWaalsContact C-N 3.3Å; M1-W3 PolarHBondContact O-N 3.33Å; M1-R4 PolarHBondContact O-N 2.68Å
2L31.1Very low43.2Very low142 Ų142132.5 Ų132.574%0.74364%0.639SS**Hα-helixtrans-59.1-30.7173.4-81.2151.4000115.2R4 L5L2-R4 VanDerWaalsContact C-N 3.34Å; L2-R4 PolarHBondContact O-N 3.17Å; L2-L5 PolarHBondContact O-N 3.16Å
3W30.3Very low44.5Very low183 Ų183127.6 Ų127.669%0.69362%0.618SS**Hα-helixtrans-68.5-28.3179.7-143.649.1000113.9M1M1-W3 VanDerWaalsContact C-N 3.3Å; M1-W3 PolarHBondContact O-N 3.33Å
4R32.1Very low45.3Very low216 Ų216123.1 Ų123.182%0.81561%0.605SS**Hα-helixtrans-78.5-23.8175.4-80.1-172.5179.3178.2-0.2113.1M1 L2 F6 S8M1-R4 PolarHBondContact O-N 2.68Å; L2-R4 VanDerWaalsContact C-N 3.34Å; L2-R4 PolarHBondContact O-N 3.17Å; R4-F6 VanDerWaalsContact C-N 3.34Å; R4-S8 PolarHBondContact O-OG 3.08Å
5L36.8Very low46.3Very low113 Ų113122.1 Ų122.159%0.59260%0.602SS**Hα-helixtrans-75.5-24.8176.6-81.3156.4000112.2L2 S8 V9L2-L5 PolarHBondContact O-N 3.16Å; L5-S8 PolarHBondContact O-OG 2.99Å; L5-S8 VanDerWaalsContact O-OG 3.14Å; L5-V9 WeakPolarHBondContact O-CG2 3.32Å
6F43.5Very low47.4Very low126 Ų126121.8 Ų121.855%0.55360%0.603SS**Hα-helixtrans-89.8-23.4-178.1-107.1-91000114.8R4 S8 V9R4-F6 VanDerWaalsContact C-N 3.34Å; F6-S8 PolarHBondContact O-N 3.4Å; F6-V9 HydrophobicContact CD1-CG2 4.26Å; F6-V9 HydrophobicContact CG-CG2 4.39Å
7L42.1Very low47.8Very low149 Ų149120.1 Ų120.178%0.7860%0.596SS**THydrogen-bonded Turntrans-77.2-7.4174-74.5168.6000113.4
8S42.2Very low48.4Very low74 Ų74118.3 Ų118.352%0.51759%0.588SS.*THydrogen-bonded Turntrans-111.56.9179.150.60000113.3R4 L5 F6 T10R4-S8 PolarHBondContact O-OG 3.08Å; L5-S8 PolarHBondContact O-OG 2.99Å; L5-S8 VanDerWaalsContact O-OG 3.14Å; F6-S8 PolarHBondContact O-N 3.4Å; S8-T10 PolarHBondContact O-N 3.37Å
9V49.8Very low49.2Very low50 Ų50116.4 Ų116.430%0.30359%0.592SS.*  trans-72.6109.4177.8176.80000107.6L5 F6 D13 C14L5-V9 WeakPolarHBondContact O-CG2 3.32Å; F6-V9 HydrophobicContact CD1-CG2 4.26Å; F6-V9 HydrophobicContact CG-CG2 4.39Å; V9-D13 HydrophobicContact CB-CB 4.41Å; V9-D13 HydrophobicContact CG1-CB 3.59Å; V9-C14 WeakPolarHBondContact CG1-SG 3.31Å
10T56.1Low49.6Very low71 Ų71114.9 Ų114.944%0.43660%0.598SS.*  trans-74163.4174.760.90000110.3S8 E12 D13 C14S8-T10 PolarHBondContact O-N 3.37Å; T10-E12 PolarHBondContact O-N 3.31Å; T10-E12 VanDerWaalsContact O-N 3.15Å; T10-D13 PolarHBondContact N-OD2 3.36Å; T10-D13 WeakPolarHBondContact O-CB 3.45Å; T10-D13 PolarHBondContact O-N 2.77Å; T10-D13 VanDerWaalsContact OG1-CG 3.29Å; T10-D13 PolarHBondContact OG1-N 2.64Å; T10-D13 PolarHBondContact OG1-OD2 3.23Å; T10-C14 PolarHBondContact O-N 3.31Å
11E53Low49.9Very low107 Ų107112.5 Ų112.550%0.559%0.586SS.*Hα-helixtrans-55.1-31.5175.2-159.7170.6175.400111.3L15 R212E11-L15 WeakPolarHBondContact O-CG 3.4Å; E11-L15 PolarHBondContact O-N 2.84Å; E11-L15 VanDerWaalsContact O-N 3.15Å; E11-R212 IonicContact OE1-NH2 3.17Å; E11-R212 IonicContact OE2-NH2 2.84Å; E11-R212 PolarHBondContact OE2-NH2 3Å
12E59.8Low50.6Low146 Ų146104.3 Ų104.368%0.68256%0.556SS**Hα-helixtrans-66.6-40.2174.3-65.3-179.5163.200112.8T10 L15 L16T10-E12 PolarHBondContact O-N 3.31Å; T10-E12 VanDerWaalsContact O-N 3.15Å; E12-L15 PolarHBondContact O-N 3.29Å; E12-L16 WeakPolarHBondContact O-CB 3.04Å; E12-L16 PolarHBondContact O-N 3.14Å
13D60.1Low51.8Low69 Ų69109.4 Ų109.437%0.36957%0.566SS.*Hα-helixtrans-67.6-37178.3-64.8-50.1000111.7V9 T10 L16 L17V9-D13 HydrophobicContact CB-CB 4.41Å; V9-D13 HydrophobicContact CG1-CB 3.59Å; T10-D13 PolarHBondContact N-OD2 3.36Å; T10-D13 WeakPolarHBondContact O-CB 3.45Å; T10-D13 PolarHBondContact O-N 2.77Å; T10-D13 VanDerWaalsContact OG1-CG 3.29Å; T10-D13 PolarHBondContact OG1-N 2.64Å; T10-D13 PolarHBondContact OG1-OD2 3.23Å; D13-L16 PolarHBondContact O-N 3.11Å; D13-L17 WeakPolarHBondContact O-CB 3.19Å; D13-L17 PolarHBondContact O-N 2.61Å
14C56.3Low52.8Low64 Ų64110.2 Ų110.243%0.43257%0.574SS.*Hα-helixtrans-64-43.3173.1-79.40000111.6V9 T10 L17 I18V9-C14 WeakPolarHBondContact CG1-SG 3.31Å; T10-C14 PolarHBondContact O-N 3.31Å; C14-L17 PolarHBondContact O-N 2.94Å; C14-I18 WeakPolarHBondContact O-CD1 3.4Å; C14-I18 WeakPolarHBondContact O-CG1 3.45Å; C14-I18 PolarHBondContact O-N 2.95Å
15L60.1Low54Low108 Ų108102.8 Ų102.857%0.56555%0.551SS**Hα-helixtrans-67.4-38.5177.5-72.8169.9000112E11 E12 I18 A19E11-L15 WeakPolarHBondContact O-CG 3.4Å; E11-L15 PolarHBondContact O-N 2.84Å; E11-L15 VanDerWaalsContact O-N 3.15Å; E12-L15 PolarHBondContact O-N 3.29Å; L15-I18 PolarHBondContact O-N 2.73Å; L15-A19 VanDerWaalsContact O-CB 3.29Å; L15-A19 WeakPolarHBondContact O-CB 3.36Å; L15-A19 PolarHBondContact O-N 3.44Å
16L64.5Low54.9Low118 Ų118103 Ų10362%0.61854%0.544SS*.Hα-helixtrans-63-40.4172-106.6134.7000111.8E12 D13 A19 A20E12-L16 WeakPolarHBondContact O-CB 3.04Å; E12-L16 PolarHBondContact O-N 3.14Å; D13-L16 PolarHBondContact O-N 3.11Å; L16-A19 PolarHBondContact O-N 3.07Å; L16-A20 WeakPolarHBondContact O-CB 3.22Å; L16-A20 PolarHBondContact O-N 3.39Å
17L53.9Low55.5Low93 Ų93101.1 Ų101.149%0.48755%0.547SS..Hα-helixtrans-64.5-42.6175-127.794.5000111.7D13 C14 A20 L21 L29D13-L17 WeakPolarHBondContact O-CB 3.19Å; D13-L17 PolarHBondContact O-N 2.61Å; C14-L17 PolarHBondContact O-N 2.94Å; L17-A20 PolarHBondContact O-N 3.29Å; L17-L21 HydrophobicContact CD2-CD1 4.22Å; L17-L21 HydrophobicContact CG-CD1 4.47Å; L17-L21 WeakPolarHBondContact O-CB 3.48Å; L17-L21 WeakPolarHBondContact O-CD1 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.2Å; L17-L21 PolarHBondContact O-N 3.43Å; L17-L29 HydrophobicContact CD2-CD1 4.48Å
18I58.9Low56.4Low88 Ų88100.6 Ų100.645%0.45154%0.538SS..Hα-helixtrans-66-41.7177.9-68.9163.9000110.7C14 L15 L29C14-I18 WeakPolarHBondContact O-CD1 3.4Å; C14-I18 WeakPolarHBondContact O-CG1 3.45Å; C14-I18 PolarHBondContact O-N 2.95Å; L15-I18 PolarHBondContact O-N 2.73Å; I18-L29 HydrophobicContact CG1-CD2 4.1Å
19A63.8Low57.1Low81 Ų8198.7 Ų98.767%0.66952%0.522SS*.Hα-helixtrans-66.4-41176.300000112L15 L16L15-A19 VanDerWaalsContact O-CB 3.29Å; L15-A19 WeakPolarHBondContact O-CB 3.36Å; L15-A19 PolarHBondContact O-N 3.44Å; L16-A19 PolarHBondContact O-N 3.07Å
20A56.2Low57.7Low86 Ų86100.1 Ų100.171%0.71153%0.527SS*.Hα-helixtrans-70.5-31.3-179.500000113.4L16 L17L16-A20 WeakPolarHBondContact O-CB 3.22Å; L16-A20 PolarHBondContact O-N 3.39Å; L17-A20 PolarHBondContact O-N 3.29Å
21L55.1Low58.2Low65 Ų65100.4 Ų100.434%0.3453%0.532SS..Hα-helixtrans-81.2-18-173.8-74.6169.2000114.2L17 N25 L29L17-L21 HydrophobicContact CD2-CD1 4.22Å; L17-L21 HydrophobicContact CG-CD1 4.47Å; L17-L21 WeakPolarHBondContact O-CB 3.48Å; L17-L21 WeakPolarHBondContact O-CD1 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.2Å; L17-L21 PolarHBondContact O-N 3.43Å; L21-N25 HydrophobicContact CB-CB 4.42Å; L21-N25 WeakPolarHBondContact O-CB 3.31Å; L21-N25 PolarHBondContact O-ND2 3.42Å; L21-N25 VanDerWaalsContact O-ND2 3.14Å; L21-L29 HydrophobicContact CD1-CB 4.45Å; L21-L29 HydrophobicContact CD1-CD1 3.76Å; L21-L29 HydrophobicContact CD1-CD2 4.26Å; L21-L29 HydrophobicContact CD1-CG 4.38Å
22G57.7Low58.6Low41 Ų4199.2 Ų99.242%0.42353%0.534SS..  trans61.7162.6178.300000114.1K24 N25G22-K24 PolarHBondContact O-N 2.85Å; G22-N25 PolarHBondContact O-N 3.42Å
23R56.4Low58.7Low250 Ų25096.2 Ų96.294%0.94352%0.522SS*.G310 helixtrans-54.9-25.5-177.3-74.5-174.1-170.21733.2114.2N25R23-N25 VanDerWaalsContact C-N 3.34Å; R23-N25 PolarHBondContact O-N 3.37Å
24K50.7Low58.8Low200 Ų20095.7 Ų95.787%0.8753%0.527SS*.G310 helixtrans-75.6-15.8-174.8-68.1-173.4178-177.60114.4G22G22-K24 PolarHBondContact O-N 2.85Å
25N56.9Low59.2Low60 Ų6096 Ų9632%0.32153%0.53SS..G310 helixtrans-113.910.4-178.5-66.7-52.4000114.2L21 G22 R23 S27 K28 L29L21-N25 HydrophobicContact CB-CB 4.42Å; L21-N25 WeakPolarHBondContact O-CB 3.31Å; L21-N25 PolarHBondContact O-ND2 3.42Å; L21-N25 VanDerWaalsContact O-ND2 3.14Å; G22-N25 PolarHBondContact O-N 3.42Å; R23-N25 VanDerWaalsContact C-N 3.34Å; R23-N25 PolarHBondContact O-N 3.37Å; N25-S27 VanDerWaalsContact C-N 3.26Å; N25-S27 PolarHBondContact O-N 3.3Å; N25-K28 PolarHBondContact O-N 2.95Å; N25-L29 PolarHBondContact O-N 3.43Å
26Y56.2Low59.1Low117 Ų11795.9 Ų95.946%0.45953%0.525SS..Hα-helixtrans-60-34.6-178-161.9-103.5000112.9L29 L30Y26-L29 PolarHBondContact O-N 3.01Å; Y26-L30 HydrophobicContact CD1-CD1 3.62Å; Y26-L30 HydrophobicContact CD1-CG 4.16Å; Y26-L30 HydrophobicContact CE1-CD1 3.59Å; Y26-L30 HydrophobicContact CE1-CD2 4.46Å; Y26-L30 HydrophobicContact CE1-CG 4.05Å; Y26-L30 WeakPolarHBondContact O-CB 3.41Å; Y26-L30 WeakPolarHBondContact O-CG 3.32Å; Y26-L30 PolarHBondContact O-N 2.88Å
27S55.8Low58.4Low87 Ų8794.9 Ų94.961%0.60852%0.521SS*.Hα-helixtrans-67.1-37.4174.859.90000112.9N25 C31N25-S27 VanDerWaalsContact C-N 3.26Å; N25-S27 PolarHBondContact O-N 3.3Å; S27-C31 WeakPolarHBondContact O-CB 3.29Å; S27-C31 PolarHBondContact O-N 3.45Å
28K61.7Low58.5Low138 Ų13899.5 Ų99.560%0.653%0.531SS*.Hα-helixtrans-67.8-41.6174.6-71-176.2179.1176.20110.9N25 C31 C32N25-K28 PolarHBondContact O-N 2.95Å; K28-C31 WeakPolarHBondContact O-CB 3.44Å; K28-C31 PolarHBondContact O-N 3Å; K28-C32 PolarHBondContact O-N 3.27Å; K28-C32 PolarHBondContact O-SG 3.12Å
29L57.4Low58.1Low33 Ų3397.7 Ų97.717%0.17353%0.53CS..Hα-helixtrans-62.6-45.9176-174.566.1000111.7L17 I18 L21 N25 Y26 C31 C32 I33L17-L29 HydrophobicContact CD2-CD1 4.48Å; I18-L29 HydrophobicContact CG1-CD2 4.1Å; L21-L29 HydrophobicContact CD1-CB 4.45Å; L21-L29 HydrophobicContact CD1-CD1 3.76Å; L21-L29 HydrophobicContact CD1-CD2 4.26Å; L21-L29 HydrophobicContact CD1-CG 4.38Å; N25-L29 PolarHBondContact O-N 3.43Å; Y26-L29 PolarHBondContact O-N 3.01Å; L29-C31 VanDerWaalsContact C-N 3.29Å; L29-C31 PolarHBondContact O-N 3.36Å; L29-C32 WeakPolarHBondContact O-CB 3.5Å; L29-C32 PolarHBondContact O-N 3.27Å; L29-I33 HydrophobicContact CD1-CD1 4.5Å; L29-I33 HydrophobicContact CG-CD1 4.07Å; L29-I33 WeakPolarHBondContact O-CG1 3.46Å; L29-I33 PolarHBondContact O-N 2.81Å
30L61.9Low57.3Low80 Ų8096.6 Ų96.642%0.41952%0.517SS..Hα-helixtrans-60.5-38.5174.2-76.8169.9000112.2Y26 I33 A34Y26-L30 HydrophobicContact CD1-CD1 3.62Å; Y26-L30 HydrophobicContact CD1-CG 4.16Å; Y26-L30 HydrophobicContact CE1-CD1 3.59Å; Y26-L30 HydrophobicContact CE1-CD2 4.46Å; Y26-L30 HydrophobicContact CE1-CG 4.05Å; Y26-L30 WeakPolarHBondContact O-CB 3.41Å; Y26-L30 WeakPolarHBondContact O-CG 3.32Å; Y26-L30 PolarHBondContact O-N 2.88Å; L30-I33 PolarHBondContact O-N 2.92Å; L30-A34 VanDerWaalsContact O-CB 3.28Å; L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 2.83Å
31C65.6Low56.9Low78 Ų7898.9 Ų98.953%0.52751%0.511SS..Hα-helixtrans-66.5-39175.7-1610000112S27 K28 L29 S35S27-C31 WeakPolarHBondContact O-CB 3.29Å; S27-C31 PolarHBondContact O-N 3.45Å; K28-C31 WeakPolarHBondContact O-CB 3.44Å; K28-C31 PolarHBondContact O-N 3Å; L29-C31 VanDerWaalsContact C-N 3.29Å; L29-C31 PolarHBondContact O-N 3.36Å; C31-S35 VanDerWaalsContact O-CB 3.31Å; C31-S35 WeakPolarHBondContact O-CB 3.21Å; C31-S35 PolarHBondContact O-N 3.15Å; C31-S35 PolarHBondContact O-OG 3.25Å
32C62.3Low56.7Low82 Ų8299.8 Ų99.855%0.55452%0.516SS*.Hα-helixtrans-65.5-44.2174.1-69.90000112K28 L29 S35 F36K28-C32 PolarHBondContact O-N 3.27Å; K28-C32 PolarHBondContact O-SG 3.12Å; L29-C32 WeakPolarHBondContact O-CB 3.5Å; L29-C32 PolarHBondContact O-N 3.27Å; C32-S35 PolarHBondContact O-N 3.35Å; C32-F36 WeakPolarHBondContact O-CB 3.3Å; C32-F36 PolarHBondContact O-N 3.48Å
33I62.1Low56.1Low83 Ų83104 Ų10443%0.42653%0.526SS..Hα-helixtrans-64-43.5176.2-66.5166.7000110.6L29 L30 S35 F36 N37L29-I33 HydrophobicContact CD1-CD1 4.5Å; L29-I33 HydrophobicContact CG-CD1 4.07Å; L29-I33 WeakPolarHBondContact O-CG1 3.46Å; L29-I33 PolarHBondContact O-N 2.81Å; L30-I33 PolarHBondContact O-N 2.92Å; I33-S35 VanDerWaalsContact C-N 3.35Å; I33-S35 PolarHBondContact O-N 3.41Å; I33-F36 PolarHBondContact O-N 3.01Å; I33-N37 PolarHBondContact O-N 3.34Å
34A62.1Low55.9Low58 Ų5895.8 Ų95.848%0.47950%0.498SS..Hα-helixtrans-63.4-40176.100000112.1L30 R38L30-A34 VanDerWaalsContact O-CB 3.28Å; L30-A34 WeakPolarHBondContact O-CB 3.45Å; L30-A34 PolarHBondContact O-N 2.83Å; A34-R38 WeakPolarHBondContact O-CB 3.41Å; A34-R38 PolarHBondContact O-N 3.28Å
35S65Low55.7Low69 Ų6990.8 Ų90.848%0.48348%0.481SS..Hα-helixtrans-67.3-36.5175.5-59.30000112C31 C32 I33 R38 A39C31-S35 VanDerWaalsContact O-CB 3.31Å; C31-S35 WeakPolarHBondContact O-CB 3.21Å; C31-S35 PolarHBondContact O-N 3.15Å; C31-S35 PolarHBondContact O-OG 3.25Å; C32-S35 PolarHBondContact O-N 3.35Å; I33-S35 VanDerWaalsContact C-N 3.35Å; I33-S35 PolarHBondContact O-N 3.41Å; S35-R38 PolarHBondContact O-N 2.95Å; S35-A39 WeakPolarHBondContact O-CB 3.32Å; S35-A39 PolarHBondContact O-N 3.43Å
36F58Low55.1Low106 Ų10697.4 Ų97.447%0.46550%0.502SS..Hα-helixtrans-67.3-46.5175.3-175.5-95.4000111.9C32 I33 R38 A39 S40C32-F36 WeakPolarHBondContact O-CB 3.3Å; C32-F36 PolarHBondContact O-N 3.48Å; I33-F36 PolarHBondContact O-N 3.01Å; F36-R38 VanDerWaalsContact C-N 3.26Å; F36-R38 PolarHBondContact O-N 2.9Å; F36-A39 PolarHBondContact O-N 2.94Å; F36-A39 VanDerWaalsContact O-N 3.14Å; F36-S40 PolarHBondContact O-N 2.84Å
37N50Low54.6Low98 Ų9895.5 Ų95.552%0.52451%0.505SS..Hα-helixtrans-60.3-38.7174.6-72.8-15.4000111.4I33 F41I33-N37 PolarHBondContact O-N 3.34Å; N37-F41 WeakPolarHBondContact O-CB 3.38Å; N37-F41 PolarHBondContact O-N 2.84Å
38R55.8Low54.2Low189 Ų18998.2 Ų98.271%0.71351%0.512SS*.Hα-helixtrans-66.8-39.5175-160177.7-164-176.63.7112.3A34 S35 F36 F41 I42A34-R38 WeakPolarHBondContact O-CB 3.41Å; A34-R38 PolarHBondContact O-N 3.28Å; S35-R38 PolarHBondContact O-N 2.95Å; F36-R38 VanDerWaalsContact C-N 3.26Å; F36-R38 PolarHBondContact O-N 2.9Å; R38-F41 PolarHBondContact O-N 3.31Å; R38-I42 HydrophobicContact CG-CD1 4.26Å; R38-I42 WeakPolarHBondContact O-CD1 3.32Å; R38-I42 VanDerWaalsContact O-CG1 3.25Å; R38-I42 WeakPolarHBondContact O-CG1 3.25Å; R38-I42 PolarHBondContact O-N 2.95Å
39A49.6Very low53.1Low51 Ų51100.2 Ų100.242%0.42152%0.524SS..Hα-helixtrans-68.8-39.7176.600000112.2S35 F36 F41 I42 M43S35-A39 WeakPolarHBondContact O-CB 3.32Å; S35-A39 PolarHBondContact O-N 3.43Å; F36-A39 PolarHBondContact O-N 2.94Å; F36-A39 VanDerWaalsContact O-N 3.14Å; A39-F41 VanDerWaalsContact C-N 3.34Å; A39-I42 PolarHBondContact O-N 3.41Å; A39-M43 WeakPolarHBondContact O-CG 3.45Å; A39-M43 PolarHBondContact O-N 3.16Å; A39-M43 VanDerWaalsContact O-N 3.07Å
40S46.1Very low52.2Low57 Ų57104.3 Ų104.340%0.39955%0.55SS..Hα-helixtrans-61.1-43.8174.1-163.70000111.2F36 M43 E44F36-S40 PolarHBondContact O-N 2.84Å; S40-M43 PolarHBondContact O-N 3.45Å; S40-E44 PolarHBondContact O-N 3.09Å; S40-E44 VanDerWaalsContact O-N 3.11Å
41F48.4Very low51Low134 Ų134104.6 Ų104.659%0.58856%0.559SS**Hα-helixtrans-62.4-45.2176.5-172.2-93.6000112.6N37 R38 A39 M43 E44 D45N37-F41 WeakPolarHBondContact O-CB 3.38Å; N37-F41 PolarHBondContact O-N 2.84Å; R38-F41 PolarHBondContact O-N 3.31Å; A39-F41 VanDerWaalsContact C-N 3.34Å; F41-M43 VanDerWaalsContact C-N 3.26Å; F41-M43 PolarHBondContact O-N 3.39Å; F41-E44 PolarHBondContact O-N 2.86Å; F41-D45 PolarHBondContact O-N 2.9Å
42I51.1Low49.6Very low85 Ų85107.1 Ų107.144%0.43657%0.574SS.*Hα-helixtrans-65.3-30.1178.2-67.6165.3000111.9R38 A39 R46R38-I42 HydrophobicContact CG-CD1 4.26Å; R38-I42 WeakPolarHBondContact O-CD1 3.32Å; R38-I42 VanDerWaalsContact O-CG1 3.25Å; R38-I42 WeakPolarHBondContact O-CG1 3.25Å; R38-I42 PolarHBondContact O-N 2.95Å; A39-I42 PolarHBondContact O-N 3.41Å; I42-R46 WeakPolarHBondContact O-CG 3.29Å; I42-R46 PolarHBondContact O-N 3.12Å
43M46.1Very low48.3Very low129 Ų129108.4 Ų108.464%0.63558%0.579SS**Hα-helixtrans-76.4-32.5176.9-74.2-168125.200112.9A39 S40 F41 S47A39-M43 WeakPolarHBondContact O-CG 3.45Å; A39-M43 PolarHBondContact O-N 3.16Å; A39-M43 VanDerWaalsContact O-N 3.07Å; S40-M43 PolarHBondContact O-N 3.45Å; F41-M43 VanDerWaalsContact C-N 3.26Å; F41-M43 PolarHBondContact O-N 3.39Å; M43-S47 PolarHBondContact O-N 2.75Å
44E51.6Low46.9Very low78 Ų78112 Ų11236%0.36460%0.599SS.*Hα-helixtrans-73.6-38.9174.8-75.7-176.5149.900112.2S40 F41 R46 S47S40-E44 PolarHBondContact O-N 3.09Å; S40-E44 VanDerWaalsContact O-N 3.11Å; F41-E44 PolarHBondContact O-N 2.86Å; E44-R46 VanDerWaalsContact C-N 3.26Å; E44-R46 PolarHBondContact O-N 2.88Å; E44-S47 WeakPolarHBondContact O-CB 3.47Å; E44-S47 PolarHBondContact O-N 3.1Å; E44-S47 PolarHBondContact O-OG 3.42Å
45D47Very low45.5Very low95 Ų95116.9 Ų116.951%0.50862%0.616SS.*Hα-helixtrans-62.7-33.2176-122.4-5.9000111.9F41 S47F41-D45 PolarHBondContact O-N 2.9Å; D45-S47 VanDerWaalsContact C-N 3.3Å; D45-S47 PolarHBondContact O-N 2.86Å
46R44.2Very low44Very low199 Ų199120.3 Ų120.375%0.75163%0.634SS**THydrogen-bonded Turntrans-75.9-13.6174.1-76.3-176.8175.3-173.1-0.9114.3I42 E44I42-R46 WeakPolarHBondContact O-CG 3.29Å; I42-R46 PolarHBondContact O-N 3.12Å; E44-R46 VanDerWaalsContact C-N 3.26Å; E44-R46 PolarHBondContact O-N 2.88Å
47S45.1Very low43Very low76 Ų76119.1 Ų119.153%0.53164%0.637SS.*THydrogen-bonded Turntrans-86.3-13.9178.178.20000113.5M43 E44 D45M43-S47 PolarHBondContact O-N 2.75Å; E44-S47 WeakPolarHBondContact O-CB 3.47Å; E44-S47 PolarHBondContact O-N 3.1Å; E44-S47 PolarHBondContact O-OG 3.42Å; D45-S47 VanDerWaalsContact C-N 3.3Å; D45-S47 PolarHBondContact O-N 2.86Å
48L46.9Very low42.4Very low145 Ų145120.9 Ų120.976%0.75965%0.653SS**SBendtrans-93.2-10.2-176.9-80.4155.8000114.2
49E39.4Very low42.1Very low180 Ų180117.4 Ų117.484%0.84165%0.649SS**  trans-1045.3-178.6-71.7-163.615400115.3S51E49-S51 PolarHBondContact O-N 3.05Å
50T38.9Very low42.1Very low118 Ų118124 Ų12472%0.72467%0.67SS**  trans-84.497.8169.939.90000111.5
51S34.9Very low42.5Very low86 Ų86126.4 Ų126.460%0.60168%0.679SS**  trans-32.3139.3167.1-174.10000115E49 V53E49-S51 PolarHBondContact O-N 3.05Å; S51-V53 PolarHBondContact O-N 3Å
52P36.2Very low43.3Very low132 Ų132122.8 Ų122.886%0.85767%0.671SS**  trans-77.872.2176.434.8-32.8000109.8L54P52-L54 PolarHBondContact O-N 2.94Å
53V35.8Very low44.4Very low109 Ų109124 Ų12466%0.66168%0.684SS**  trans-90.497.4172.6-179.50000108.4S51 L55S51-V53 PolarHBondContact O-N 3Å; V53-L55 PolarHBondContact O-N 3.42Å
54L32Very low46.2Very low159 Ų159125.9 Ų125.983%0.83269%0.688SS**  trans35.673.9131.7-90.5157.7000116.6P52P52-L54 PolarHBondContact O-N 2.94Å
55L32.5Very low47.8Very low160 Ų160127.2 Ų127.284%0.83869%0.694SS**  trans-154.289.6155.2-74.1-179.4000108.8V53 P57V53-L55 PolarHBondContact O-N 3.42Å; L55-P57 VanDerWaalsContact O-CD 3.25Å; L55-P57 WeakPolarHBondContact O-CD 3.47Å
56T34.3Very low49.6Very low141 Ų141125 Ų12587%0.86569%0.69SS**  trans-77.8104.9145.734.10000106.3
57P36.6Very low51.6Low80 Ų80120.1 Ų120.152%0.51968%0.675SS.*  trans-70.4143.4160.9-0.721.3000106.7L55 L59L55-P57 VanDerWaalsContact O-CD 3.25Å; L55-P57 WeakPolarHBondContact O-CD 3.47Å; P57-L59 HydrophobicContact CB-CD1 3.9Å; P57-L59 HydrophobicContact CB-CG 4.42Å; P57-L59 HydrophobicContact CG-CD1 3.76Å; P57-L59 PolarHBondContact O-N 3.28Å
58P38Very low53.7Low135 Ų135123 Ų12388%0.87768%0.679SS**  trans-72.585.1164.131.3-27.6000106E60P58-E60 PolarHBondContact O-N 3.44Å
59L48.7Very low55.7Low117 Ų117118 Ų11861%0.61365%0.654SS**  trans-82.5111.1170.8-96.2133.1000106.7P57 D61P57-L59 HydrophobicContact CB-CD1 3.9Å; P57-L59 HydrophobicContact CB-CG 4.42Å; P57-L59 HydrophobicContact CG-CD1 3.76Å; P57-L59 PolarHBondContact O-N 3.28Å; L59-D61 PolarHBondContact O-N 3.44Å
60E51.1Low58.1Low188 Ų188115.5 Ų115.588%0.87964%0.64SS**  trans-51.196.5150.9-77.9178.7141.800106.8P58 S62P58-E60 PolarHBondContact O-N 3.44Å; E60-S62 PolarHBondContact O-N 3.45Å
61D54.8Low60.5Low108 Ų108117.3 Ų117.358%0.57863%0.634SS**  trans-53.2110.6173.2-79.6-31.2000106.9L59L59-D61 PolarHBondContact O-N 3.44Å
62S64.4Low63.1Low59 Ų59115.9 Ų115.941%0.41362%0.617SS.*  trans-56132.1174.175.20000106.6E60 K64 E65E60-S62 PolarHBondContact O-N 3.45Å; S62-K64 PolarHBondContact O-N 3.03Å; S62-E65 PolarHBondContact O-N 3.42Å
63P73.6Confident65.8Low109 Ų109112 Ų11271%0.70859%0.586SS**Hα-helixtrans-55.8-21.7-172.916.9-30.6000112.9E67P63-E67 VanDerWaalsContact O-CB 3.31Å; P63-E67 WeakPolarHBondContact O-CB 3.34Å; P63-E67 PolarHBondContact O-N 3.22Å
64K84.6Confident68.5Low170 Ų170112.7 Ų112.774%0.73958%0.582SS**Hα-helixtrans-68.7-36.3174.4-63-178179.4178.30113.6S62 F68S62-K64 PolarHBondContact O-N 3.03Å; K64-F68 VanDerWaalsContact O-CB 3.31Å; K64-F68 WeakPolarHBondContact O-CB 3.14Å; K64-F68 PolarHBondContact O-N 3.49Å
65E84Confident71.3Confident105 Ų105113 Ų11349%0.49158%0.577SS.*Hα-helixtrans-74.9-47-178.6-175.6166.2-169.300111.4S62 E67 F68 V69S62-E65 PolarHBondContact O-N 3.42Å; E65-E67 VanDerWaalsContact C-N 3.29Å; E65-E67 PolarHBondContact O-N 3.3Å; E65-F68 WeakPolarHBondContact O-CB 3.38Å; E65-F68 PolarHBondContact O-N 2.85Å; E65-F68 VanDerWaalsContact O-N 3.12Å; E65-V69 WeakPolarHBondContact O-CG2 3.02Å; E65-V69 PolarHBondContact O-N 2.77Å
66A84.8Confident74.2Confident50 Ų50105.7 Ų105.741%0.41354%0.539SS..Hα-helixtrans-59.1-41.4174.800000111.8K70A66-K70 WeakPolarHBondContact O-CB 3.44Å; A66-K70 PolarHBondContact O-N 2.91Å
67E87.5Confident77Confident95 Ų95104 Ų10444%0.44452%0.516SS..Hα-helixtrans-65.9-40.7175.4-170.3177.9-166.800112P63 E65 K70 R71P63-E67 VanDerWaalsContact O-CB 3.31Å; P63-E67 WeakPolarHBondContact O-CB 3.34Å; P63-E67 PolarHBondContact O-N 3.22Å; E65-E67 VanDerWaalsContact C-N 3.29Å; E65-E67 PolarHBondContact O-N 3.3Å; E67-K70 PolarHBondContact O-N 2.89Å; E67-R71 WeakPolarHBondContact O-CB 3.31Å; E67-R71 VanDerWaalsContact O-CG 3.3Å; E67-R71 WeakPolarHBondContact O-CG 3.29Å; E67-R71 PolarHBondContact O-N 3.43Å; E67-R71 IonicContact OE1-CZ 3.29Å; E67-R71 VanDerWaalsContact OE1-CZ 3.29Å; E67-R71 IonicContact OE1-NE 3.31Å; E67-R71 PolarHBondContact OE1-NE 2.99Å; E67-R71 IonicContact OE1-NH2 2.64Å; E67-R71 PolarHBondContact OE1-NH2 3.17Å; E67-R71 IonicContact OE2-NH2 3.92Å
68F88.1Confident79.7Confident137 Ų137103.2 Ų103.260%0.60151%0.513SS*.Hα-helixtrans-61-48.9175.2176.3-94.7000111.8K64 E65 K70 R71 F72K64-F68 VanDerWaalsContact O-CB 3.31Å; K64-F68 WeakPolarHBondContact O-CB 3.14Å; K64-F68 PolarHBondContact O-N 3.49Å; E65-F68 WeakPolarHBondContact O-CB 3.38Å; E65-F68 PolarHBondContact O-N 2.85Å; E65-F68 VanDerWaalsContact O-N 3.12Å; F68-K70 VanDerWaalsContact C-N 3.33Å; F68-K70 PolarHBondContact O-N 3.23Å; F68-R71 PolarHBondContact O-N 3.02Å; F68-F72 WeakPolarHBondContact O-CB 3.37Å; F68-F72 PolarHBondContact O-N 3.21Å
69V89.4Confident82.4Confident39 Ų39100.1 Ų100.124%0.23648%0.484CS..Hα-helixtrans-60.7-43.3178.61730000110.7E65 F72 K73E65-V69 WeakPolarHBondContact O-CG2 3.02Å; E65-V69 PolarHBondContact O-N 2.77Å; V69-F72 PolarHBondContact O-N 3.17Å; V69-K73 HydrophobicContact CG1-CD 4.08Å; V69-K73 HydrophobicContact CG1-CG 4.42Å; V69-K73 WeakPolarHBondContact O-CB 3.48Å; V69-K73 VanDerWaalsContact O-CG 3.32Å; V69-K73 WeakPolarHBondContact O-CG 3.2Å; V69-K73 PolarHBondContact O-N 2.76Å
70K89.4Confident84.6Confident128 Ų12894.9 Ų94.956%0.55746%0.456SS*.Hα-helixtrans-60.2-50.4176.3-175-176.1175.8-1700111.7A66 E67 F68 F72 K73 E74A66-K70 WeakPolarHBondContact O-CB 3.44Å; A66-K70 PolarHBondContact O-N 2.91Å; E67-K70 PolarHBondContact O-N 2.89Å; F68-K70 VanDerWaalsContact C-N 3.33Å; F68-K70 PolarHBondContact O-N 3.23Å; K70-F72 VanDerWaalsContact C-N 3.31Å; K70-F72 PolarHBondContact O-N 3.4Å; K70-K73 PolarHBondContact O-N 3.26Å; K70-E74 PolarHBondContact O-N 3.05Å; K70-E74 VanDerWaalsContact O-N 3.07Å
71R90.3Very high86.7Confident156 Ų15688.2 Ų88.259%0.58943%0.433SS*.Hα-helixtrans-61-40.3178-72.6176.7-176.1-167.42.5111.7E67 F68 K75E67-R71 WeakPolarHBondContact O-CB 3.31Å; E67-R71 VanDerWaalsContact O-CG 3.3Å; E67-R71 WeakPolarHBondContact O-CG 3.29Å; E67-R71 PolarHBondContact O-N 3.43Å; E67-R71 IonicContact OE1-CZ 3.29Å; E67-R71 VanDerWaalsContact OE1-CZ 3.29Å; E67-R71 IonicContact OE1-NE 3.31Å; E67-R71 PolarHBondContact OE1-NE 2.99Å; E67-R71 IonicContact OE1-NH2 2.64Å; E67-R71 PolarHBondContact OE1-NH2 3.17Å; E67-R71 IonicContact OE2-NH2 3.92Å; F68-R71 PolarHBondContact O-N 3.02Å; R71-K75 WeakPolarHBondContact O-CB 3.42Å; R71-K75 PolarHBondContact O-N 3.41Å
72F90.2Very high88.6Confident56 Ų5688.8 Ų88.825%0.24644%0.437CS..Hα-helixtrans-62.9-49176.2-178.4-89.8000111.2F68 V69 K70 E74 K75 Y76 V222 W223 L226F68-F72 WeakPolarHBondContact O-CB 3.37Å; F68-F72 PolarHBondContact O-N 3.21Å; V69-F72 PolarHBondContact O-N 3.17Å; K70-F72 VanDerWaalsContact C-N 3.31Å; K70-F72 PolarHBondContact O-N 3.4Å; F72-E74 VanDerWaalsContact C-N 3.34Å; F72-E74 PolarHBondContact O-N 2.82Å; F72-K75 PolarHBondContact O-N 2.89Å; F72-Y76 VanDerWaalsContact O-CB 3.25Å; F72-Y76 WeakPolarHBondContact O-CB 3.47Å; F72-Y76 PolarHBondContact O-N 3.45Å; F72-V222 HydrophobicContact CZ-CG1 4.46Å; F72-W223 HydrophobicContact CE1-CB 4.15Å; F72-L226 HydrophobicContact CD1-CD1 3.38Å; F72-L226 HydrophobicContact CE1-CD1 3.61Å; F72-L226 HydrophobicContact CG-CD1 4.33Å
73K91.8Very high90.2Very high50 Ų5088.3 Ų88.322%0.21743%0.428CS..Hα-helixtrans-56.9-45.7178.9-77.2176.5171.2-160.80112.3V69 K70 R77 W223 L226 H227V69-K73 HydrophobicContact CG1-CD 4.08Å; V69-K73 HydrophobicContact CG1-CG 4.42Å; V69-K73 WeakPolarHBondContact O-CB 3.48Å; V69-K73 VanDerWaalsContact O-CG 3.32Å; V69-K73 WeakPolarHBondContact O-CG 3.2Å; V69-K73 PolarHBondContact O-N 2.76Å; K70-K73 PolarHBondContact O-N 3.26Å; K73-R77 WeakPolarHBondContact O-CB 3.48Å; K73-R77 PolarHBondContact O-N 3.2Å; K73-W223 PolarHBondContact O-NE1 2.56Å; K73-W223 VanDerWaalsContact O-NE1 3.1Å; K73-L226 VanDerWaalsContact CE-C 3.46Å; K73-L226 WeakPolarHBondContact CE-O 3.48Å; K73-L226 PolarHBondContact NZ-O 2.77Å; K73-H227 VanDerWaalsContact CD-CE1 3.47Å; K73-H227 WeakPolarHBondContact CD-CE1 3.35Å; K73-H227 WeakPolarHBondContact CE-ND1 3.19Å; K73-H227 PolarHBondContact NZ-ND1 3.33Å; K73-H227 VanDerWaalsContact NZ-ND1 3.12Å
74E91.7Very high91.4Very high124 Ų12483.1 Ų83.158%0.57939%0.394SS*.Hα-helixtrans-70.8-44.9-179-175.6171.8-171.200112.7K70 F72 Y76 R77 S78K70-E74 PolarHBondContact O-N 3.05Å; K70-E74 VanDerWaalsContact O-N 3.07Å; F72-E74 VanDerWaalsContact C-N 3.34Å; F72-E74 PolarHBondContact O-N 2.82Å; E74-Y76 VanDerWaalsContact C-N 3.31Å; E74-Y76 PolarHBondContact O-N 3.32Å; E74-R77 PolarHBondContact O-N 3.14Å; E74-S78 PolarHBondContact O-N 3.4Å; E74-S78 VanDerWaalsContact O-N 3.09Å; E74-S78 PolarHBondContact O-OG 3.1Å; E74-S78 VanDerWaalsContact O-OG 3.11Å
75K92.1Very high92Very high165 Ų16577 Ų7772%0.71737%0.371SS*.Hα-helixtrans-59.7-44.9175.1-177.5179.4178.1-177.20110.9R71 F72 S78 Y79R71-K75 WeakPolarHBondContact O-CB 3.42Å; R71-K75 PolarHBondContact O-N 3.41Å; F72-K75 PolarHBondContact O-N 2.89Å; K75-S78 WeakPolarHBondContact O-CB 3.45Å; K75-S78 PolarHBondContact O-N 3.01Å; K75-Y79 PolarHBondContact O-N 2.74Å
76Y92.9Very high92.6Very high8 Ų874.4 Ų74.43%0.03137%0.368CS..Hα-helixtrans-74.4-32-177.1-159.5-96.9000112.7F72 E74 S78 Y79 I80 D216 Q219 T220 W223F72-Y76 VanDerWaalsContact O-CB 3.25Å; F72-Y76 WeakPolarHBondContact O-CB 3.47Å; F72-Y76 PolarHBondContact O-N 3.45Å; E74-Y76 VanDerWaalsContact C-N 3.31Å; E74-Y76 PolarHBondContact O-N 3.32Å; Y76-S78 VanDerWaalsContact C-N 3.31Å; Y76-S78 PolarHBondContact O-N 3.05Å; Y76-Y79 HydrophobicContact CD2-CD1 4.12Å; Y76-Y79 HydrophobicContact CD2-CG 4.44Å; Y76-Y79 AromaticContact CE2-CD1 3.58Å; Y76-Y79 HydrophobicContact CE2-CD1 3.58Å; Y76-Y79 HydrophobicContact CE2-CE1 4.06Å; Y76-Y79 HydrophobicContact CE2-CG 4.31Å; Y76-Y79 AromaticContact CZ-CD1 3.92Å; Y76-Y79 VanDerWaalsContact O-CB 3.32Å; Y76-Y79 WeakPolarHBondContact O-CB 3.02Å; Y76-Y79 PolarHBondContact O-N 3.44Å; Y76-Y79 VanDerWaalsContact O-N 3.16Å; Y76-I80 HydrophobicContact CD1-CD1 3.66Å; Y76-I80 HydrophobicContact CD1-CG1 3.84Å; Y76-I80 HydrophobicContact CE1-CD1 3.55Å; Y76-I80 HydrophobicContact CE1-CG1 3.55Å; Y76-I80 WeakPolarHBondContact O-CG1 3.43Å; Y76-I80 PolarHBondContact O-N 3.34Å; Y76-D216 PolarHBondContact OH-O 3.37Å; Y76-Q219 HydrophobicContact CE2-CB 3.47Å; Y76-Q219 VanDerWaalsContact CE2-CB 3.47Å; Y76-Q219 HydrophobicContact CE2-CG 4.42Å; Y76-Q219 VanDerWaalsContact OH-CB 3.25Å; Y76-Q219 WeakPolarHBondContact OH-CB 3.2Å; Y76-T220 HydrophobicContact CE1-CG2 4.49Å; Y76-T220 PolarHBondContact OH-N 3.28Å; Y76-T220 PolarHBondContact OH-OG1 2.88Å; Y76-W223 HydrophobicContact CD1-CB 3.39Å; Y76-W223 AromaticContact CD1-CD1 3.6Å; Y76-W223 AromaticContact CD1-CD2 3.92Å; Y76-W223 HydrophobicContact CD1-CD2 3.92Å; Y76-W223 AromaticContact CD1-CG 3.34Å; Y76-W223 HydrophobicContact CD1-CG 3.34Å; Y76-W223 HydrophobicContact CE1-CB 3.8Å; Y76-W223 HydrophobicContact CE1-CG 4.12Å; Y76-W223 HydrophobicContact CG-CB 4.1Å; Y76-W223 AromaticContact CG-CD1 3.93Å; Y76-W223 HydrophobicContact CG-CG 4.07Å
77R92.3Very high93.3Very high105 Ų10572.2 Ų72.240%0.39635%0.35SS..Hα-helixtrans-57.3-47.5167.9-176.9-169.3-174.7160.17.8111.1K73 E74 Y79 I80 A81 E327K73-R77 WeakPolarHBondContact O-CB 3.48Å; K73-R77 PolarHBondContact O-N 3.2Å; E74-R77 PolarHBondContact O-N 3.14Å; R77-Y79 VanDerWaalsContact C-N 3.27Å; R77-Y79 PolarHBondContact O-N 3.14Å; R77-I80 PolarHBondContact O-N 2.86Å; R77-A81 VanDerWaalsContact O-CB 3.32Å; R77-A81 WeakPolarHBondContact O-CB 3.42Å; R77-A81 PolarHBondContact O-N 2.82Å; R77-E327 VanDerWaalsContact CD-OE1 3.3Å; R77-E327 WeakPolarHBondContact CD-OE1 3.25Å; R77-E327 IonicContact CZ-OE1 3.28Å; R77-E327 VanDerWaalsContact CZ-OE1 3.28Å; R77-E327 IonicContact CZ-OE2 3.12Å; R77-E327 IonicContact NE-OE1 3.59Å; R77-E327 PolarHBondContact NE-OE1 3.39Å; R77-E327 IonicContact NH1-OE1 3.51Å; R77-E327 PolarHBondContact NH1-OE1 3.24Å; R77-E327 IonicContact NH1-OE2 3.8Å; R77-E327 PolarHBondContact NH1-OE2 3.31Å; R77-E327 IonicContact NH2-OE2 3.31Å; R77-E327 PolarHBondContact NH2-OE2 3.29Å
78S93.9Very high93.7Very high63 Ų6368.1 Ų68.144%0.44133%0.332SS..Hα-helixtrans-64.4-34.1176.8-57.20000111.9E74 K75 Y76 N82E74-S78 PolarHBondContact O-N 3.4Å; E74-S78 VanDerWaalsContact O-N 3.09Å; E74-S78 PolarHBondContact O-OG 3.1Å; E74-S78 VanDerWaalsContact O-OG 3.11Å; K75-S78 WeakPolarHBondContact O-CB 3.45Å; K75-S78 PolarHBondContact O-N 3.01Å; Y76-S78 VanDerWaalsContact C-N 3.31Å; Y76-S78 PolarHBondContact O-N 3.05Å; S78-N82 PolarHBondContact O-N 3.32Å; S78-N82 PolarHBondContact O-ND2 2.87Å
79Y94.8Very high94.2Very high70 Ų7067 Ų6728%0.27533%0.331SS..Hα-helixtrans-62.4-55.8173-176.5-101.4000111.3K75 Y76 R77 A81 N82 H83 F84 D216K75-Y79 PolarHBondContact O-N 2.74Å; Y76-Y79 HydrophobicContact CD2-CD1 4.12Å; Y76-Y79 HydrophobicContact CD2-CG 4.44Å; Y76-Y79 AromaticContact CE2-CD1 3.58Å; Y76-Y79 HydrophobicContact CE2-CD1 3.58Å; Y76-Y79 HydrophobicContact CE2-CE1 4.06Å; Y76-Y79 HydrophobicContact CE2-CG 4.31Å; Y76-Y79 AromaticContact CZ-CD1 3.92Å; Y76-Y79 VanDerWaalsContact O-CB 3.32Å; Y76-Y79 WeakPolarHBondContact O-CB 3.02Å; Y76-Y79 PolarHBondContact O-N 3.44Å; Y76-Y79 VanDerWaalsContact O-N 3.16Å; R77-Y79 VanDerWaalsContact C-N 3.27Å; R77-Y79 PolarHBondContact O-N 3.14Å; Y79-A81 VanDerWaalsContact C-N 3.26Å; Y79-A81 PolarHBondContact O-N 2.82Å; Y79-N82 PolarHBondContact O-N 3.49Å; Y79-H83 HydrophobicContact CD1-CB 4.27Å; Y79-H83 HydrophobicContact CD2-CB 4.07Å; Y79-H83 HydrophobicContact CE1-CB 4.17Å; Y79-H83 AromaticContact CE1-CD2 3.65Å; Y79-H83 HydrophobicContact CE2-CB 3.95Å; Y79-H83 AromaticContact CE2-CD2 3.96Å; Y79-H83 AromaticContact CE2-CG 3.74Å; Y79-H83 HydrophobicContact CG-CB 4.24Å; Y79-H83 AromaticContact CZ-CD2 3.31Å; Y79-H83 AromaticContact CZ-CG 3.58Å; Y79-H83 AromaticContact CZ-NE2 3.84Å; Y79-H83 WeakPolarHBondContact O-CA 3.35Å; Y79-H83 WeakPolarHBondContact O-CB 3.12Å; Y79-H83 PolarHBondContact O-N 3.49Å; Y79-H83 PolarHBondContact OH-CD2 3.47Å; Y79-H83 PolarHBondContact OH-NE2 3.42Å; Y79-F84 HydrophobicContact CE1-CE2 4.48Å; Y79-D216 WeakPolarHBondContact CE1-OD1 3.31Å; Y79-D216 PolarHBondContact OH-OD1 3.22Å
80I94.6Very high94.6Very high7 Ų769 Ų694%0.03634%0.338CS..Hα-helixtrans-55.7-44.9177.3-62.6168.5000110.4Y76 R77 N82 F84 T220 W223 F316 I319Y76-I80 HydrophobicContact CD1-CD1 3.66Å; Y76-I80 HydrophobicContact CD1-CG1 3.84Å; Y76-I80 HydrophobicContact CE1-CD1 3.55Å; Y76-I80 HydrophobicContact CE1-CG1 3.55Å; Y76-I80 WeakPolarHBondContact O-CG1 3.43Å; Y76-I80 PolarHBondContact O-N 3.34Å; R77-I80 PolarHBondContact O-N 2.86Å; I80-N82 VanDerWaalsContact C-N 3.28Å; I80-N82 PolarHBondContact O-N 2.99Å; I80-F84 HydrophobicContact CB-CD2 4.35Å; I80-F84 HydrophobicContact CG1-CD2 4.46Å; I80-F84 HydrophobicContact CG1-CE2 4.14Å; I80-F84 HydrophobicContact CG2-CD1 4.37Å; I80-F84 HydrophobicContact CG2-CD2 4.2Å; I80-F84 HydrophobicContact CG2-CG 4.14Å; I80-F84 WeakPolarHBondContact O-CB 3.22Å; I80-F84 PolarHBondContact O-N 3.39Å; I80-T220 HydrophobicContact CD1-CG2 4.35Å; I80-W223 HydrophobicContact CD1-CD2 4.22Å; I80-W223 HydrophobicContact CD1-CE3 3.95Å; I80-W223 HydrophobicContact CD1-CH2 4.46Å; I80-W223 HydrophobicContact CD1-CZ3 4.08Å; I80-F316 HydrophobicContact CG2-CD2 4.31Å; I80-I319 HydrophobicContact CD1-CD1 4.12Å; I80-I319 HydrophobicContact CD1-CG2 4.43Å; I80-I319 HydrophobicContact CG2-CD1 4.45Å; I80-I319 HydrophobicContact CG2-CG2 4.43Å
81A94.7Very high95Very high48 Ų4863 Ų6340%0.39731%0.312SS..Hα-helixtrans-59-35.9-175.400000114.1R77 Y79R77-A81 VanDerWaalsContact O-CB 3.32Å; R77-A81 WeakPolarHBondContact O-CB 3.42Å; R77-A81 PolarHBondContact O-N 2.82Å; Y79-A81 VanDerWaalsContact C-N 3.26Å; Y79-A81 PolarHBondContact O-N 2.82Å
82N96.5Very high95.4Very high120 Ų12061.4 Ų61.464%0.64231%0.306SS*.Hα-helixtrans-103.9-40.4-175.8-63.1-56.9000112.5S78 Y79 I80 A86S78-N82 PolarHBondContact O-N 3.32Å; S78-N82 PolarHBondContact O-ND2 2.87Å; Y79-N82 PolarHBondContact O-N 3.49Å; I80-N82 VanDerWaalsContact C-N 3.28Å; I80-N82 PolarHBondContact O-N 2.99Å; N82-A86 WeakPolarHBondContact O-CB 3.45Å; N82-A86 PolarHBondContact O-N 2.87Å
83H97.2Very high95.7Very high49 Ų4962.2 Ų62.223%0.22732%0.319CS..Hα-helixtrans-77-42.6-171.4-169.466.5000112.6Y79 A86 M87 D216Y79-H83 HydrophobicContact CD1-CB 4.27Å; Y79-H83 HydrophobicContact CD2-CB 4.07Å; Y79-H83 HydrophobicContact CE1-CB 4.17Å; Y79-H83 AromaticContact CE1-CD2 3.65Å; Y79-H83 HydrophobicContact CE2-CB 3.95Å; Y79-H83 AromaticContact CE2-CD2 3.96Å; Y79-H83 AromaticContact CE2-CG 3.74Å; Y79-H83 HydrophobicContact CG-CB 4.24Å; Y79-H83 AromaticContact CZ-CD2 3.31Å; Y79-H83 AromaticContact CZ-CG 3.58Å; Y79-H83 AromaticContact CZ-NE2 3.84Å; Y79-H83 WeakPolarHBondContact O-CA 3.35Å; Y79-H83 WeakPolarHBondContact O-CB 3.12Å; Y79-H83 PolarHBondContact O-N 3.49Å; Y79-H83 PolarHBondContact OH-CD2 3.47Å; Y79-H83 PolarHBondContact OH-NE2 3.42Å; H83-A86 PolarHBondContact O-N 3.29Å; H83-M87 VanDerWaalsContact CE1-CG 3.48Å; H83-M87 WeakPolarHBondContact CE1-CG 3.25Å; H83-M87 WeakPolarHBondContact NE2-CG 3.49Å; H83-M87 WeakPolarHBondContact O-CB 3.17Å; H83-M87 WeakPolarHBondContact O-CG 3.43Å; H83-M87 PolarHBondContact O-N 3.39Å; H83-D216 IonicContact CD2-OD2 2.94Å; H83-D216 IonicContact NE2-OD1 2.61Å; H83-D216 IonicContact NE2-OD2 2.73Å; H83-D216 PolarHBondContact NE2-OD2 2.94Å
84F97.7Very high95.8Very high0 Ų062.5 Ų62.50%032%0.322CS..Hα-helixtrans-64.5-46.6-175.8-81.2-134.2000112.2Y79 I80 A86 M87 A88 D216 F217 T220 Y312 T315 F316Y79-F84 HydrophobicContact CE1-CE2 4.48Å; I80-F84 HydrophobicContact CB-CD2 4.35Å; I80-F84 HydrophobicContact CG1-CD2 4.46Å; I80-F84 HydrophobicContact CG1-CE2 4.14Å; I80-F84 HydrophobicContact CG2-CD1 4.37Å; I80-F84 HydrophobicContact CG2-CD2 4.2Å; I80-F84 HydrophobicContact CG2-CG 4.14Å; I80-F84 WeakPolarHBondContact O-CB 3.22Å; I80-F84 PolarHBondContact O-N 3.39Å; F84-A86 VanDerWaalsContact C-N 3.33Å; F84-A86 PolarHBondContact O-N 3.32Å; F84-M87 PolarHBondContact O-N 3.04Å; F84-A88 WeakPolarHBondContact O-CB 3.26Å; F84-A88 PolarHBondContact O-N 2.97Å; F84-D216 HydrophobicContact CE2-CB 4.3Å; F84-D216 HydrophobicContact CZ-CB 4.46Å; F84-F217 HydrophobicContact CE1-CE2 4.03Å; F84-F217 HydrophobicContact CE1-CZ 4.01Å; F84-F217 HydrophobicContact CZ-CE2 4.34Å; F84-T220 WeakPolarHBondContact CZ-OG1 3.48Å; F84-Y312 HydrophobicContact CB-CD1 4.24Å; F84-Y312 AromaticContact CD1-CD1 3.78Å; F84-Y312 HydrophobicContact CD1-CD1 3.78Å; F84-Y312 HydrophobicContact CD2-CD1 4.28Å; F84-Y312 HydrophobicContact CD2-CE1 4.41Å; F84-Y312 HydrophobicContact CE1-CD1 4.11Å; F84-Y312 HydrophobicContact CE2-CE1 4.47Å; F84-Y312 AromaticContact CG-CD1 3.85Å; F84-Y312 HydrophobicContact CG-CD1 3.85Å; F84-Y312 HydrophobicContact CG-CE1 4.43Å; F84-Y312 HydrophobicContact CZ-CD1 4.5Å; F84-T315 HydrophobicContact CD1-CG2 4.29Å; F84-T315 HydrophobicContact CE1-CG2 3.67Å; F84-F316 HydrophobicContact CB-CB 3.97Å; F84-F316 HydrophobicContact CB-CD2 4.2Å; F84-F316 HydrophobicContact CB-CG 4.42Å; F84-F316 HydrophobicContact CD1-CB 4.35Å
85P97.7Very high95.9Very high41 Ų4157.2 Ų57.227%0.26630%0.297SS..Hα-helixtrans-61.3-39.7173.2-2535.8000113A88 L89 F316P85-A88 PolarHBondContact O-N 3.43Å; P85-L89 WeakPolarHBondContact O-CG 3.24Å; P85-L89 PolarHBondContact O-N 2.96Å; P85-F316 HydrophobicContact CG-CD1 4.12Å; P85-F316 HydrophobicContact CG-CD2 3.88Å; P85-F316 HydrophobicContact CG-CE1 3.96Å; P85-F316 HydrophobicContact CG-CE2 3.72Å; P85-F316 HydrophobicContact CG-CG 4.07Å; P85-F316 HydrophobicContact CG-CZ 3.75Å
86A97.9Very high96Very high51 Ų5153.9 Ų53.942%0.42128%0.284SS..Hα-helixtrans-63.2-46.417800000111.7N82 H83 F84 L89 E90N82-A86 WeakPolarHBondContact O-CB 3.45Å; N82-A86 PolarHBondContact O-N 2.87Å; H83-A86 PolarHBondContact O-N 3.29Å; F84-A86 VanDerWaalsContact C-N 3.33Å; F84-A86 PolarHBondContact O-N 3.32Å; A86-L89 PolarHBondContact O-N 3.24Å; A86-E90 WeakPolarHBondContact O-CB 3.22Å; A86-E90 PolarHBondContact O-N 3.21Å
87M97.8Very high95.9Very high5 Ų557 Ų573%0.02531%0.307CS..Hα-helixtrans-62.7-42.4176.1-74.6-54.8-57.500112.1H83 F84 L89 E90 V91 F209 R212 Y312H83-M87 VanDerWaalsContact CE1-CG 3.48Å; H83-M87 WeakPolarHBondContact CE1-CG 3.25Å; H83-M87 WeakPolarHBondContact NE2-CG 3.49Å; H83-M87 WeakPolarHBondContact O-CB 3.17Å; H83-M87 WeakPolarHBondContact O-CG 3.43Å; H83-M87 PolarHBondContact O-N 3.39Å; F84-M87 PolarHBondContact O-N 3.04Å; M87-L89 VanDerWaalsContact C-N 3.29Å; M87-L89 PolarHBondContact O-N 2.84Å; M87-E90 PolarHBondContact O-N 3.07Å; M87-V91 WeakPolarHBondContact O-CG2 3.2Å; M87-V91 PolarHBondContact O-N 2.98Å; M87-F209 HydrophobicContact CE-CD1 3.92Å; M87-F209 HydrophobicContact CE-CE1 4.14Å; M87-R212 HydrophobicContact CE-CB 4.49Å; M87-Y312 HydrophobicContact CB-CD1 4.1Å; M87-Y312 HydrophobicContact CB-CD2 3.98Å; M87-Y312 HydrophobicContact CB-CE1 3.93Å; M87-Y312 HydrophobicContact CB-CE2 3.8Å; M87-Y312 HydrophobicContact CB-CG 4.11Å; M87-Y312 HydrophobicContact CE-CE2 4.3Å; M87-Y312 HydrophobicContact CG-CE1 4.18Å; M87-Y312 HydrophobicContact CG-CE2 4.42Å
88A97.8Very high95.7Very high8 Ų853.1 Ų53.17%0.06629%0.294CS..Hα-helixtrans-60-40.7175.900000111.9F84 P85 R92F84-A88 WeakPolarHBondContact O-CB 3.26Å; F84-A88 PolarHBondContact O-N 2.97Å; P85-A88 PolarHBondContact O-N 3.43Å; A88-R92 WeakPolarHBondContact O-CB 3.43Å; A88-R92 PolarHBondContact O-N 3.42Å
89L97.9Very high95.4Very high113 Ų11353.2 Ų53.259%0.59229%0.292SS*.Hα-helixtrans-70.4-39.6176.1-71173.4000112.7P85 A86 M87 R92 S93P85-L89 WeakPolarHBondContact O-CG 3.24Å; P85-L89 PolarHBondContact O-N 2.96Å; A86-L89 PolarHBondContact O-N 3.24Å; M87-L89 VanDerWaalsContact C-N 3.29Å; M87-L89 PolarHBondContact O-N 2.84Å; L89-R92 WeakPolarHBondContact O-CB 3.44Å; L89-R92 PolarHBondContact O-N 3.41Å; L89-S93 WeakPolarHBondContact O-CB 3.13Å; L89-S93 PolarHBondContact O-N 3.39Å
90E97.9Very high95Very high83 Ų8354.3 Ų54.339%0.38831%0.31SS..Hα-helixtrans-61.2-48.4176.3-172.8-175.9161.400111A86 M87 R92 S93 M94 F209 R212A86-E90 WeakPolarHBondContact O-CB 3.22Å; A86-E90 PolarHBondContact O-N 3.21Å; M87-E90 PolarHBondContact O-N 3.07Å; E90-R92 VanDerWaalsContact C-N 3.32Å; E90-R92 PolarHBondContact O-N 2.97Å; E90-S93 PolarHBondContact O-N 3.43Å; E90-M94 PolarHBondContact O-N 2.89Å; E90-F209 HydrophobicContact CB-CE1 4.49Å; E90-F209 HydrophobicContact CG-CE1 3.94Å; E90-F209 HydrophobicContact CG-CZ 4.08Å; E90-R212 IonicContact OE1-NH1 3.57Å
91V97.4Very high94.1Very high0 Ų055.6 Ų55.60%032%0.32CS..Hα-helixtrans-62.3-41.5177179.90000110.6M87 S93 M94 I95 F209 L305 V308 Q309M87-V91 WeakPolarHBondContact O-CG2 3.2Å; M87-V91 PolarHBondContact O-N 2.98Å; V91-S93 PolarHBondContact O-N 2.96Å; V91-M94 WeakPolarHBondContact O-CB 3.41Å; V91-M94 PolarHBondContact O-N 3.5Å; V91-I95 HydrophobicContact CG1-CD1 3.96Å; V91-I95 WeakPolarHBondContact O-CG1 3.3Å; V91-I95 PolarHBondContact O-N 3.46Å; V91-F209 HydrophobicContact CB-CE1 4.46Å; V91-F209 HydrophobicContact CG2-CD1 3.41Å; V91-F209 VanDerWaalsContact CG2-CD1 3.41Å; V91-F209 HydrophobicContact CG2-CE1 3.56Å; V91-F209 HydrophobicContact CG2-CG 4.13Å; V91-F209 HydrophobicContact CG2-CZ 4.38Å; V91-L305 HydrophobicContact CG1-CB 4.46Å; V91-L305 HydrophobicContact CG1-CD2 4.45Å; V91-L305 VanDerWaalsContact CG1-O 3.29Å; V91-L305 WeakPolarHBondContact CG1-O 3.4Å; V91-V308 HydrophobicContact CG1-CB 4.47Å; V91-V308 HydrophobicContact CG2-CG1 3.95Å; V91-Q309 HydrophobicContact CB-CB 4.19Å; V91-Q309 HydrophobicContact CG1-CB 3.77Å
92R97.6Very high92.6Very high123 Ų12357.7 Ų57.746%0.46433%0.329SS..Hα-helixtrans-59-47.6174.9-175.6-179.4171.4164.60.5111.8A88 L89 E90 M94 I95 E96 Q309A88-R92 WeakPolarHBondContact O-CB 3.43Å; A88-R92 PolarHBondContact O-N 3.42Å; L89-R92 WeakPolarHBondContact O-CB 3.44Å; L89-R92 PolarHBondContact O-N 3.41Å; E90-R92 VanDerWaalsContact C-N 3.32Å; E90-R92 PolarHBondContact O-N 2.97Å; R92-M94 VanDerWaalsContact C-N 3.25Å; R92-M94 PolarHBondContact O-N 3.18Å; R92-I95 WeakPolarHBondContact O-CB 3.32Å; R92-I95 PolarHBondContact O-N 3Å; R92-E96 IonicContact CZ-OE1 3.48Å; R92-E96 IonicContact NE-OE1 3.91Å; R92-E96 PolarHBondContact NE-OE1 3.16Å; R92-E96 IonicContact NH2-OE1 3.78Å; R92-E96 PolarHBondContact NH2-OE1 3.12Å; R92-E96 WeakPolarHBondContact O-CG 3.41Å; R92-E96 PolarHBondContact O-N 2.93Å; R92-Q309 HydrophobicContact CB-CG 4.49Å
93S96.9Very high90.6Very high74 Ų7456.1 Ų56.152%0.51732%0.32SS..Hα-helixtrans-60.8-37.4177.6-175.50000111.4L89 E90 V91 E96 S97L89-S93 WeakPolarHBondContact O-CB 3.13Å; L89-S93 PolarHBondContact O-N 3.39Å; E90-S93 PolarHBondContact O-N 3.43Å; V91-S93 PolarHBondContact O-N 2.96Å; S93-E96 PolarHBondContact O-N 3.3Å; S93-S97 WeakPolarHBondContact O-CB 3.42Å; S93-S97 PolarHBondContact O-N 2.91Å
94M94.7Very high88.6Confident56 Ų5656.7 Ų56.728%0.27632%0.324SS..Hα-helixtrans-64.9-45.4174.4-17661.266.400111.6E90 V91 R92 E96 S97 I98 I205 F209 L305E90-M94 PolarHBondContact O-N 2.89Å; V91-M94 WeakPolarHBondContact O-CB 3.41Å; V91-M94 PolarHBondContact O-N 3.5Å; R92-M94 VanDerWaalsContact C-N 3.25Å; R92-M94 PolarHBondContact O-N 3.18Å; M94-E96 VanDerWaalsContact C-N 3.34Å; M94-E96 PolarHBondContact O-N 3.03Å; M94-S97 PolarHBondContact O-N 3.4Å; M94-I98 HydrophobicContact CG-CD1 3.89Å; M94-I98 VanDerWaalsContact O-CG1 3.3Å; M94-I98 WeakPolarHBondContact O-CG1 3.43Å; M94-I98 PolarHBondContact O-N 3.47Å; M94-I98 HydrophobicContact SD-CD1 4.11Å; M94-I98 HydrophobicContact SD-CG1 4.31Å; M94-I205 HydrophobicContact CE-CG2 4.07Å; M94-I205 HydrophobicContact CG-CG2 3.92Å; M94-I205 HydrophobicContact SD-CD1 4.47Å; M94-I205 HydrophobicContact SD-CG2 3.88Å; M94-F209 HydrophobicContact CB-CE2 4.08Å; M94-F209 HydrophobicContact CB-CZ 4.18Å; M94-F209 HydrophobicContact CE-CE2 4.12Å; M94-F209 HydrophobicContact CE-CZ 4.42Å; M94-F209 HydrophobicContact CG-CE2 3.89Å; M94-F209 HydrophobicContact CG-CZ 4.46Å; M94-L305 HydrophobicContact CG-CD1 4.29Å
95I94.2Very high86.3Confident13 Ų1365.6 Ų65.67%0.06737%0.366CS..Hα-helixtrans-59.4-45.9175.7-69.3162.3000110.6V91 R92 S97 I98 T99 L302 L305 Q306 Q309V91-I95 HydrophobicContact CG1-CD1 3.96Å; V91-I95 WeakPolarHBondContact O-CG1 3.3Å; V91-I95 PolarHBondContact O-N 3.46Å; R92-I95 WeakPolarHBondContact O-CB 3.32Å; R92-I95 PolarHBondContact O-N 3Å; I95-S97 PolarHBondContact O-N 2.92Å; I95-I98 PolarHBondContact O-N 3.12Å; I95-T99 HydrophobicContact CG2-CG2 4.38Å; I95-T99 WeakPolarHBondContact O-CB 3.49Å; I95-T99 VanDerWaalsContact O-CG2 3.31Å; I95-T99 WeakPolarHBondContact O-CG2 3.42Å; I95-T99 PolarHBondContact O-N 3.42Å; I95-T99 PolarHBondContact O-OG1 2.91Å; I95-L302 HydrophobicContact CG2-CD1 4.08Å; I95-L305 HydrophobicContact CD1-CB 4.09Å; I95-L305 HydrophobicContact CG1-CB 3.87Å; I95-L305 HydrophobicContact CG1-CD1 4.22Å; I95-Q306 HydrophobicContact CD1-CG 3.87Å; I95-Q309 HydrophobicContact CD1-CB 4.38Å
96E93.9Very high83.9Confident94 Ų9470.6 Ų70.644%0.43939%0.385SS..Hα-helixtrans-64-39.8177.2-72.3173.5-174.800111.1R92 S93 M94 T99 S100R92-E96 IonicContact CZ-OE1 3.48Å; R92-E96 IonicContact NE-OE1 3.91Å; R92-E96 PolarHBondContact NE-OE1 3.16Å; R92-E96 IonicContact NH2-OE1 3.78Å; R92-E96 PolarHBondContact NH2-OE1 3.12Å; R92-E96 WeakPolarHBondContact O-CG 3.41Å; R92-E96 PolarHBondContact O-N 2.93Å; S93-E96 PolarHBondContact O-N 3.3Å; M94-E96 VanDerWaalsContact C-N 3.34Å; M94-E96 PolarHBondContact O-N 3.03Å; E96-T99 WeakPolarHBondContact CA-OG1 3.36Å; E96-T99 PolarHBondContact O-N 3.17Å; E96-T99 PolarHBondContact O-OG1 3.34Å; E96-S100 WeakPolarHBondContact O-CB 3.37Å; E96-S100 PolarHBondContact O-N 2.88Å; E96-S100 PolarHBondContact O-OG 2.88Å
97S91.6Very high81.6Confident73 Ų7370.2 Ų70.251%0.5138%0.377SS..Hα-helixtrans-64.9-40.1175.3-175.10000112.7S93 M94 I95 S100 S101S93-S97 WeakPolarHBondContact O-CB 3.42Å; S93-S97 PolarHBondContact O-N 2.91Å; M94-S97 PolarHBondContact O-N 3.4Å; I95-S97 PolarHBondContact O-N 2.92Å; S97-S100 PolarHBondContact O-OG 3.28Å; S97-S101 PolarHBondContact O-N 3.33Å
98I88.1Confident79.1Confident25 Ų2572.5 Ų72.513%0.12839%0.393CS..Hα-helixtrans-70.2-40177.8-67.7167.7000109.9M94 I95 I104 F202 F298 L305M94-I98 HydrophobicContact CG-CD1 3.89Å; M94-I98 VanDerWaalsContact O-CG1 3.3Å; M94-I98 WeakPolarHBondContact O-CG1 3.43Å; M94-I98 PolarHBondContact O-N 3.47Å; M94-I98 HydrophobicContact SD-CD1 4.11Å; M94-I98 HydrophobicContact SD-CG1 4.31Å; I95-I98 PolarHBondContact O-N 3.12Å; I98-I104 HydrophobicContact CG2-CD1 4.33Å; I98-I104 WeakPolarHBondContact O-CD1 3.39Å; I98-I104 WeakPolarHBondContact O-CG1 3.37Å; I98-F202 HydrophobicContact CD1-CD2 4.35Å; I98-F202 HydrophobicContact CD1-CE2 3.77Å; I98-F202 HydrophobicContact CD1-CZ 3.84Å; I98-F202 HydrophobicContact CG2-CE1 4.12Å; I98-F202 HydrophobicContact CG2-CZ 4.22Å; I98-F298 HydrophobicContact CG2-CZ 4.08Å; I98-L305 HydrophobicContact CD1-CD1 3.81Å
99T86.9Confident76.8Confident64 Ų6476.6 Ų76.639%0.39341%0.412SS..Hα-helixtrans-82.5-27.8-175550000115.6I95 E96 S101 I104 L302I95-T99 HydrophobicContact CG2-CG2 4.38Å; I95-T99 WeakPolarHBondContact O-CB 3.49Å; I95-T99 VanDerWaalsContact O-CG2 3.31Å; I95-T99 WeakPolarHBondContact O-CG2 3.42Å; I95-T99 PolarHBondContact O-N 3.42Å; I95-T99 PolarHBondContact O-OG1 2.91Å; E96-T99 WeakPolarHBondContact CA-OG1 3.36Å; E96-T99 PolarHBondContact O-N 3.17Å; E96-T99 PolarHBondContact O-OG1 3.34Å; T99-S101 VanDerWaalsContact C-N 3.3Å; T99-I104 VanDerWaalsContact CA-CD1 3.47Å; T99-I104 HydrophobicContact CG2-CD1 3.81Å; T99-L302 HydrophobicContact CG2-CD1 3.91Å; T99-L302 HydrophobicContact CG2-CD2 3.92Å
100S85.7Confident74.3Confident94 Ų9474.7 Ų74.766%0.65741%0.408SS*.Hα-helixtrans-77.7-17.717257.90000113.2E96 S97E96-S100 WeakPolarHBondContact O-CB 3.37Å; E96-S100 PolarHBondContact O-N 2.88Å; E96-S100 PolarHBondContact O-OG 2.88Å; S97-S100 PolarHBondContact O-OG 3.28Å
101S75.5Confident71.9Confident34 Ų3473.9 Ų73.924%0.23842%0.416CS..SBendtrans-68.7130.4177.2-173.10000110.2S97 T99 I103 I104S97-S101 PolarHBondContact O-N 3.33Å; T99-S101 VanDerWaalsContact C-N 3.3Å; S101-I103 PolarHBondContact O-N 2.91Å; S101-I103 VanDerWaalsContact OG-CD1 3.24Å; S101-I103 WeakPolarHBondContact OG-CD1 3.45Å; S101-I103 WeakPolarHBondContact OG-CG1 3.33Å; S101-I104 PolarHBondContact O-N 2.92Å; S101-I104 VanDerWaalsContact O-N 3.1Å
102P63Low69.4Low91 Ų9175 Ų7559%0.59142%0.421SS*.THydrogen-bonded Turntrans-60.5-6.4175.425.1-33.1000113I104 E105 Q106P102-I104 PolarHBondContact O-N 2.96Å; P102-E105 PolarHBondContact O-N 2.69Å; P102-Q106 PolarHBondContact O-N 3.26Å; P102-Q106 VanDerWaalsContact O-N 3.14Å
103I56.1Low67Low87 Ų8774.4 Ų74.445%0.44643%0.427SS..THydrogen-bonded Turntrans-56.6-28169.6-61.7171.9000111.8S101 Q106 V107S101-I103 PolarHBondContact O-N 2.91Å; S101-I103 VanDerWaalsContact OG-CD1 3.24Å; S101-I103 WeakPolarHBondContact OG-CD1 3.45Å; S101-I103 WeakPolarHBondContact OG-CG1 3.33Å; I103-Q106 CarbonylContact O-C 3.44Å; I103-Q106 PolarHBondContact O-N 3.35Å; I103-V107 WeakPolarHBondContact O-CA 3.49Å; I103-V107 WeakPolarHBondContact O-CG2 3.39Å; I103-V107 PolarHBondContact O-N 3.29Å
104I53.5Low64.6Low62 Ų6277.4 Ų77.432%0.31844%0.437SS..THydrogen-bonded Turntrans-72.8-36.7178.9-60.4-155.9000112.5I98 T99 S101 P102 Q106 F298I98-I104 HydrophobicContact CG2-CD1 4.33Å; I98-I104 WeakPolarHBondContact O-CD1 3.39Å; I98-I104 WeakPolarHBondContact O-CG1 3.37Å; T99-I104 VanDerWaalsContact CA-CD1 3.47Å; T99-I104 HydrophobicContact CG2-CD1 3.81Å; S101-I104 PolarHBondContact O-N 2.92Å; S101-I104 VanDerWaalsContact O-N 3.1Å; P102-I104 PolarHBondContact O-N 2.96Å; I104-Q106 VanDerWaalsContact C-N 3.28Å; I104-F298 HydrophobicContact CD1-CE1 3.86Å; I104-F298 HydrophobicContact CD1-CZ 3.93Å; I104-F298 HydrophobicContact CG1-CE1 4.03Å; I104-F298 HydrophobicContact CG1-CZ 3.86Å
105E49.9Very low62.5Low187 Ų18777.9 Ų77.987%0.87444%0.439SS*.THydrogen-bonded Turntrans-77.1-20.7174.7-70.4-169.8163.100112.1P102P102-E105 PolarHBondContact O-N 2.69Å
106Q48Very low60.3Low146 Ų14683.2 Ų83.268%0.68247%0.466SS*.THydrogen-bonded Turntrans-126.437.8-177.9-57.5-173.27.200112.9P102 I103 I104 P108P102-Q106 PolarHBondContact O-N 3.26Å; P102-Q106 VanDerWaalsContact O-N 3.14Å; I103-Q106 CarbonylContact O-C 3.44Å; I103-Q106 PolarHBondContact O-N 3.35Å; I104-Q106 VanDerWaalsContact C-N 3.28Å; Q106-P108 VanDerWaalsContact O-CA 3.31Å; Q106-P108 WeakPolarHBondContact O-CA 3.46Å; Q106-P108 WeakPolarHBondContact O-CD 3.39Å; Q106-P108 VanDerWaalsContact O-CG 3.26Å; Q106-P108 WeakPolarHBondContact O-CG 3.44Å
107V49.8Very low58.2Low42 Ų4279.4 Ų79.426%0.25545%0.449SS..  trans-52.4109.9176.1176.20000104.5I103 M109I103-V107 WeakPolarHBondContact O-CA 3.49Å; I103-V107 WeakPolarHBondContact O-CG2 3.39Å; I103-V107 PolarHBondContact O-N 3.29Å; V107-M109 PolarHBondContact O-N 3.39Å
108P45.2Very low56Low53 Ų5378.1 Ų78.134%0.34444%0.439SS..  trans-74.289.1-158.1-12.124.7000107.5Q106 S110 A111Q106-P108 VanDerWaalsContact O-CA 3.31Å; Q106-P108 WeakPolarHBondContact O-CA 3.46Å; Q106-P108 WeakPolarHBondContact O-CD 3.39Å; Q106-P108 VanDerWaalsContact O-CG 3.26Å; Q106-P108 WeakPolarHBondContact O-CG 3.44Å; P108-S110 WeakPolarHBondContact CB-OG 3.44Å; P108-S110 PolarHBondContact O-N 3.24Å; P108-A111 PolarHBondContact O-N 3.01Å
109M48.8Very low53.9Low94 Ų9485.2 Ų85.246%0.46347%0.469SS..THydrogen-bonded Turntrans-58.2-5.9160.7-70.6-110.7-64.400110.8V107 A111 M112 K291V107-M109 PolarHBondContact O-N 3.39Å; M109-A111 VanDerWaalsContact C-N 3.29Å; M109-A111 PolarHBondContact O-N 3.22Å; M109-M112 PolarHBondContact O-N 3.47Å; M109-K291 HydrophobicContact CE-CB 4.02Å; M109-K291 HydrophobicContact CE-CD 3.52Å; M109-K291 HydrophobicContact CE-CG 3.96Å; M109-K291 HydrophobicContact SD-CB 3.56Å; M109-K291 VanDerWaalsContact SD-CB 3.56Å; M109-K291 HydrophobicContact SD-CD 3.81Å; M109-K291 HydrophobicContact SD-CG 3.54Å; M109-K291 VanDerWaalsContact SD-CG 3.54Å
110S44.9Very low51.8Low74 Ų7491.5 Ų91.552%0.51749%0.485SS..Hα-helixtrans-62.5-27.2173.6550000113.2P108 M112 N113P108-S110 WeakPolarHBondContact CB-OG 3.44Å; P108-S110 PolarHBondContact O-N 3.24Å; S110-M112 VanDerWaalsContact C-N 3.3Å; S110-M112 PolarHBondContact O-N 3.27Å; S110-N113 PolarHBondContact O-N 3.07Å
111A48Very low49.6Very low66 Ų6692.1 Ų92.155%0.54548%0.477SS..Hα-helixtrans-68.2-27.6179.400000113.5P108 M109 Q115P108-A111 PolarHBondContact O-N 3.01Å; M109-A111 VanDerWaalsContact C-N 3.29Å; M109-A111 PolarHBondContact O-N 3.22Å; A111-Q115 WeakPolarHBondContact O-CG 3.44Å
112M45.5Very low48.1Very low24 Ų2496.5 Ų96.512%0.11849%0.491CS..Hα-helixtrans-95.6-13.5177.7-79.3-149.1117.900114.6M109 S110 I193 W287 L290M109-M112 PolarHBondContact O-N 3.47Å; S110-M112 VanDerWaalsContact C-N 3.3Å; S110-M112 PolarHBondContact O-N 3.27Å; M112-I193 HydrophobicContact CE-CG2 4.07Å; M112-W287 HydrophobicContact CE-CE3 4.34Å; M112-W287 HydrophobicContact CE-CH2 4.47Å; M112-W287 HydrophobicContact CE-CZ3 3.6Å; M112-W287 HydrophobicContact SD-CE3 4.38Å; M112-W287 HydrophobicContact SD-CZ3 4.11Å; M112-L290 HydrophobicContact CE-CD2 3.3Å; M112-L290 HydrophobicContact CE-CG 4.28Å; M112-L290 HydrophobicContact SD-CD2 3.51Å; M112-L290 VanDerWaalsContact SD-CD2 3.51Å; M112-L290 HydrophobicContact SD-CG 3.89Å
113N46.7Very low47.1Very low109 Ų10994.9 Ų94.958%0.58349%0.485SS*.Hα-helixtrans-76-25.4-178.5-95.3-6.5000113.2S110 K291S110-N113 PolarHBondContact O-N 3.07Å; N113-K291 PolarHBondContact OD1-NZ 3.4Å
114D47.2Very low46.4Very low137 Ų13797 Ų9773%0.73349%0.488SS*.SBendtrans-116.50.5-175-66.2-31000114.6I116D114-I116 PolarHBondContact O-N 3.15Å
115Q50.6Low45.4Very low66 Ų66100 Ų10031%0.30850%0.504SS..  trans-64.7115.6174.2-90.7180-7.600109.4A111 I117A111-Q115 WeakPolarHBondContact O-CG 3.44Å; Q115-I117 HydrophobicContact CB-CB 4.44Å; Q115-I117 HydrophobicContact CB-CD1 3.59Å; Q115-I117 HydrophobicContact CB-CG1 3.8Å; Q115-I117 HydrophobicContact CG-CD1 4.1Å; Q115-I117 HydrophobicContact CG-CG1 4.5Å; Q115-I117 PolarHBondContact O-N 3.15Å
116I46.5Very low45.2Very low125 Ų12595.3 Ų95.364%0.64148%0.484SS*.  trans-67.541.7175.2-56.6163.7000110.4D114 C118 K119D114-I116 PolarHBondContact O-N 3.15Å; I116-C118 PolarHBondContact O-N 2.99Å; I116-K119 HydrophobicContact CG2-CB 3.91Å; I116-K119 HydrophobicContact CG2-CD 3.55Å; I116-K119 HydrophobicContact CG2-CG 3.73Å
117I50.8Low44.7Very low15 Ų1593.3 Ų93.38%0.07748%0.477CS..THydrogen-bonded Turntrans-69.7-38.6-168.2-89.5171.5000109.8Q115 Y189 I193 W287Q115-I117 HydrophobicContact CB-CB 4.44Å; Q115-I117 HydrophobicContact CB-CD1 3.59Å; Q115-I117 HydrophobicContact CB-CG1 3.8Å; Q115-I117 HydrophobicContact CG-CD1 4.1Å; Q115-I117 HydrophobicContact CG-CG1 4.5Å; Q115-I117 PolarHBondContact O-N 3.15Å; I117-Y189 VanDerWaalsContact C-OH 3.27Å; I117-Y189 WeakPolarHBondContact CA-OH 3.35Å; I117-Y189 WeakPolarHBondContact CB-OH 3.48Å; I117-Y189 HydrophobicContact CG2-CE2 3.83Å; I117-Y189 WeakPolarHBondContact CG2-OH 3.33Å; I117-Y189 WeakPolarHBondContact O-CE2 3.45Å; I117-Y189 VanDerWaalsContact O-CZ 3.24Å; I117-Y189 PolarHBondContact O-OH 3.2Å; I117-I193 HydrophobicContact CD1-CB 4.26Å; I117-I193 HydrophobicContact CD1-CD1 4.39Å; I117-I193 HydrophobicContact CD1-CG1 3.98Å; I117-I193 HydrophobicContact CD1-CG2 4.04Å; I117-I193 HydrophobicContact CG1-CG1 4.47Å; I117-I193 HydrophobicContact CG2-CD1 3.62Å; I117-I193 HydrophobicContact CG2-CG1 3.88Å; I117-W287 HydrophobicContact CB-CH2 4.49Å; I117-W287 HydrophobicContact CG2-CH2 4.03Å; I117-W287 HydrophobicContact CG2-CZ2 4.4Å
118C45.7Very low44.5Very low46 Ų4694.4 Ų94.431%0.31148%0.484SS..THydrogen-bonded Turntrans-100.515.3-170.5-69.20000116.6I116 R120 P281I116-C118 PolarHBondContact O-N 2.99Å; C118-R120 VanDerWaalsContact C-N 3.3Å; C118-R120 PolarHBondContact O-N 2.9Å; C118-P281 HydrophobicContact CB-CB 3.85Å; C118-P281 WeakPolarHBondContact SG-CB 3.28Å
119K43.9Very low44.3Very low173 Ų17396.4 Ų96.475%0.75250%0.497SS*.SBendtrans-77.7-8.9-179.8-74.4-166.8-170.4175.90114.9I116I116-K119 HydrophobicContact CG2-CB 3.91Å; I116-K119 HydrophobicContact CG2-CD 3.55Å; I116-K119 HydrophobicContact CG2-CG 3.73Å
120R41.7Very low44.1Very low196 Ų19696.9 Ų96.974%0.7450%0.501SS*.  trans-119.661.8179.3-68.9-175178.4172.50.3111.9C118 K122C118-R120 VanDerWaalsContact C-N 3.3Å; C118-R120 PolarHBondContact O-N 2.9Å; R120-K122 PolarHBondContact O-N 3.18Å
121F40.8Very low44Very low108 Ų10898.5 Ų98.547%0.47451%0.509SS..EExtended strand (participates in β ladder)trans-75.7101.9158.7-167.4-94.9000107.7A123 G187 P281F121-A123 HydrophobicContact CD1-CB 4.44Å; F121-A123 HydrophobicContact CE1-CB 3.99Å; F121-G187 VanDerWaalsContact CZ-CA 3.45Å; F121-P281 HydrophobicContact CD2-CG 4.44Å
122K42.6Very low43.7Very low126 Ų12697.9 Ų97.955%0.54850%0.501SS..EExtended strand (participates in β ladder)trans-96109.3164.7-80.2-171176.3-174.70107.2R120 W124 S188R120-K122 PolarHBondContact O-N 3.18Å; K122-W124 HydrophobicContact CD-CZ2 4.21Å; K122-W124 PolarHBondContact O-N 3.41Å; K122-S188 PolarHBondContact O-N 3.39Å
123A42.4Very low43.8Very low56 Ų56107.9 Ų107.946%0.46354%0.538SS..EExtended strand (participates in β ladder)trans-72.2115.1165.500000107.4F121F121-A123 HydrophobicContact CD1-CB 4.44Å; F121-A123 HydrophobicContact CE1-CB 3.99Å
124W41.2Very low44Very low132 Ų132111.1 Ų111.150%0.555%0.547SS..EExtended strand (participates in β ladder)trans-89.6129.9167.3-61.491.4000108K122 I126 V186K122-W124 HydrophobicContact CD-CZ2 4.21Å; K122-W124 PolarHBondContact O-N 3.41Å; W124-I126 PolarHBondContact O-N 2.88Å; W124-V186 PolarHBondContact N-O 2.94Å; W124-V186 PolarHBondContact O-N 2.99Å
125L32.3Very low44Very low125 Ų125110.6 Ų110.665%0.65454%0.544SS*.EExtended strand (participates in β ladder)trans-84.8104.7171.2-67.7163.9000106.8T183L125-T183 HydrophobicContact CB-CG2 4.26Å; L125-T183 HydrophobicContact CD2-CG2 3.64Å; L125-T183 HydrophobicContact CG-CG2 4.34Å
126I46.5Very low43.9Very low89 Ų89113.1 Ų113.146%0.45656%0.564SS.*EExtended strand (participates in β ladder)trans-92.1124.3169.6-53.4-172.8000107.6W124 V128 I184 V186W124-I126 PolarHBondContact O-N 2.88Å; I126-V128 PolarHBondContact O-N 3.22Å; I126-I184 PolarHBondContact N-O 3.41Å; I126-I184 PolarHBondContact O-N 2.99Å; I126-V186 HydrophobicContact CB-CG2 4.31Å; I126-V186 HydrophobicContact CD1-CB 4.15Å; I126-V186 HydrophobicContact CD1-CG2 3.57Å; I126-V186 HydrophobicContact CG1-CB 4.39Å; I126-V186 HydrophobicContact CG1-CG2 3.77Å
127L38.4Very low43.7Very low103 Ų103111.7 Ų111.754%0.53957%0.565SS.*EExtended strand (participates in β ladder)trans-76104.1168.7-92.7147.9000107.9F179L127-F179 HydrophobicContact CD2-CB 4.12Å
128V44.2Very low43.3Very low66 Ų66119.2 Ų119.240%0.460%0.6SS.*EExtended strand (participates in β ladder)trans-85.2123.4169.4-177.20000108.1I126 L130 I184I126-V128 PolarHBondContact O-N 3.22Å; V128-L130 PolarHBondContact O-N 3.28Å; V128-L130 VanDerWaalsContact O-N 3.16Å; V128-I184 HydrophobicContact CB-CD1 4.43Å; V128-I184 HydrophobicContact CG2-CD1 3.64Å; V128-I184 HydrophobicContact CG2-CG1 4.24Å
129P41.4Very low43.2Very low94 Ų94121.7 Ų121.761%0.6162%0.617SS**PPolyproline II helixtrans-63.6118.6174.424-29.9000109
130L44.7Very low43Very low105 Ų105121.9 Ų121.955%0.5563%0.626SS.*PPolyproline II helixtrans-69.8133.2167.5-73.9168000107.7V128 S132V128-L130 PolarHBondContact O-N 3.28Å; V128-L130 VanDerWaalsContact O-N 3.16Å; L130-S132 PolarHBondContact O-N 3.32Å; L130-S132 VanDerWaalsContact O-N 3.14Å
131P41.9Very low43Very low107 Ų107117.3 Ų117.370%0.69562%0.624SS**PPolyproline II helixtrans-56.3125.8171.923-30.5000107.8R133P131-R133 PolarHBondContact O-N 3.42Å
132S43.1Very low43Very low54 Ų54119.3 Ų119.338%0.37865%0.645SS.*PPolyproline II helixtrans-62.9136.3-179.2104.30000107.8L130 K134 D135L130-S132 PolarHBondContact O-N 3.32Å; L130-S132 VanDerWaalsContact O-N 3.14Å; S132-K134 PolarHBondContact O-N 3.32Å; S132-K134 WeakPolarHBondContact OG-CB 3.3Å; S132-K134 PolarHBondContact OG-N 2.65Å; S132-D135 WeakPolarHBondContact CB-OD2 3.35Å; S132-D135 PolarHBondContact O-N 3.46Å; S132-D135 PolarHBondContact OG-OD2 2.87Å
133R47.6Very low42.9Very low234 Ų234118.4 Ų118.488%0.88366%0.655SS**THydrogen-bonded Turntrans-57.4-7.7173.3-101.7-174.9178.5-174.6-0.5113.1P131P131-R133 PolarHBondContact O-N 3.42Å
134K50.5Low42.6Very low176 Ų176121.4 Ų121.477%0.76567%0.667SS**THydrogen-bonded Turntrans-85.5-15.8176.3-70.5-175.4172.9-175.90113.7S132S132-K134 PolarHBondContact O-N 3.32Å; S132-K134 WeakPolarHBondContact OG-CB 3.3Å; S132-K134 PolarHBondContact OG-N 2.65Å
135D47.3Very low42.5Very low127 Ų127121.5 Ų121.568%0.67968%0.682SS**THydrogen-bonded Turntrans-94.1-4.4-178.4-56.4-54.8000113.4S132S132-D135 WeakPolarHBondContact CB-OD2 3.35Å; S132-D135 PolarHBondContact O-N 3.46Å; S132-D135 PolarHBondContact OG-OD2 2.87Å
136V47.6Very low43Very low119 Ų119120.4 Ų120.472%0.72169%0.691SS**THydrogen-bonded Turntrans-10411.8178.5-163.70000111.3
137S43.3Very low42.7Very low95 Ų95122.6 Ų122.666%0.66471%0.709SS**SBendtrans-133.219.8-171.9-50.60000114.9
138Q43.1Very low42.9Very low173 Ų173122.6 Ų122.681%0.80872%0.718SS**SBendtrans-116.6104.8170.9-78.3-173.7-15.300112.1
139S42.9Very low42.6Very low97 Ų97126.7 Ų126.768%0.67874%0.738SS**  trans63.988.8141.257.90000118.9S141S139-S141 PolarHBondContact O-N 3.5Å
140N40.1Very low43.2Very low177 Ų177128.7 Ų128.795%0.94775%0.748SS**  -53.6102129.6-75.4-27.2000109.3
141S41.7Very low43.3Very low100 Ų100128.2 Ų128.270%0.69975%0.751SS**  trans-154.3114156.457.70000110.6S139S139-S141 PolarHBondContact O-N 3.5Å
142V41Very low43.5Very low150 Ų150131.2 Ų131.291%0.90976%0.761SS**  trans-51.1126.8169.1174.50000111.3
143S39.3Very low44.1Very low107 Ų107135.1 Ų135.175%0.74877%0.771SS**  trans-171.2120.9139.8-1440000113.9
144T36.1Very low44.1Very low119 Ų119128.6 Ų128.673%0.7375%0.754SS**  trans6.9124151.923.70000123.2
145V39.7Very low44.5Very low134 Ų134125 Ų12581%0.81275%0.746SS**  41.2113.4128-171.20000119.2
146A42.3Very low44.8Very low102 Ų102123.8 Ų123.884%0.84374%0.74SS**  trans-158.3124.6134.800000110.2
147T40.2Very low45.2Very low136 Ų136124 Ų12483%0.83473%0.733SS**  trans-76128.7173.439.40000112.1
148S42.7Very low45.9Very low103 Ų103123.5 Ų123.572%0.7272%0.722SS**  trans-171.4110145.259.30000107.8
149D38.8Very low46.5Very low152 Ų152118.4 Ų118.481%0.81370%0.703SS**  77.8133.599.8-75.6-32.5000115
150V53.5Low47.2Very low136 Ų136118.5 Ų118.582%0.82470%0.695SS**  trans95133.4157-162.80000117.5
151P46.4Very low47.9Very low95 Ų95116.6 Ų116.662%0.61768%0.681SS**  cis-132.3158.1-4335.4-16.5000113K153P151-K153 PolarHBondContact O-N 3.24Å
152D46.3Very low48.2Very low170 Ų170118 Ų11891%0.90968%0.68SS**  trans-60.3101.5166.8-88.7-36.4000110.3N154D152-N154 PolarHBondContact O-N 3.37Å
153K55.2Low48.8Very low136 Ų136116.2 Ų116.259%0.59167%0.665SS**  trans-73.9111.4164.6-75-167.1174.2-167.30108.1P151P151-K153 PolarHBondContact O-N 3.24Å
154N47.4Very low49.5Very low97 Ų97119.5 Ų119.552%0.51967%0.668SS.*  trans-56.2135.6176.2-175.62.4000109.6D152 D156 E157D152-N154 PolarHBondContact O-N 3.37Å; N154-D156 PolarHBondContact ND2-OD2 2.88Å; N154-D156 PolarHBondContact O-N 3.47Å; N154-E157 WeakPolarHBondContact O-CB 3.44Å; N154-E157 PolarHBondContact O-N 3.5Å
155V58.7Low50.2Low99 Ų99120.8 Ų120.860%0.667%0.666SS**Hα-helixtrans-53.4-27.6-178.2179.70000111.7E157 I158 V159V155-E157 PolarHBondContact O-N 3.39Å; V155-I158 PolarHBondContact O-N 2.84Å; V155-V159 HydrophobicContact CG1-CG2 4.35Å; V155-V159 WeakPolarHBondContact O-CG2 3.29Å; V155-V159 PolarHBondContact O-N 3.49Å
156D53.9Low50.6Low102 Ų102121 Ų12155%0.54566%0.662SS.*Hα-helixtrans-67.6-28.5177-62.9-36.7000113.9N154 N160N154-D156 PolarHBondContact ND2-OD2 2.88Å; N154-D156 PolarHBondContact O-N 3.47Å; D156-N160 WeakPolarHBondContact O-CB 3.33Å; D156-N160 PolarHBondContact O-N 3.17Å; D156-N160 VanDerWaalsContact O-N 3.08Å; D156-N160 PolarHBondContact O-ND2 2.82Å
157E57.1Low50.9Low123 Ų123124 Ų12458%0.57566%0.664SS**Hα-helixtrans-72.2-38.2173.9-113175.6-172.500111.1N154 V155 V159 N160 E161N154-E157 WeakPolarHBondContact O-CB 3.44Å; N154-E157 PolarHBondContact O-N 3.5Å; V155-E157 PolarHBondContact O-N 3.39Å; E157-V159 VanDerWaalsContact C-N 3.35Å; E157-N160 PolarHBondContact O-N 3.37Å; E157-E161 PolarHBondContact O-N 2.92Å
158I56.6Low51.1Low85 Ų85125.3 Ų125.344%0.43666%0.661SS.*Hα-helixtrans-68.8-36.1177.4-59.9172.8000110.7V155 L162V155-I158 PolarHBondContact O-N 2.84Å; I158-L162 HydrophobicContact CG2-CD1 4.38Å; I158-L162 WeakPolarHBondContact O-CD1 3.25Å; I158-L162 WeakPolarHBondContact O-CG 3.5Å; I158-L162 PolarHBondContact O-N 3.22Å
159V55.6Low51Low67 Ų67129.2 Ų129.241%0.40667%0.667SS.*Hα-helixtrans-72.8-35.7177.4173.50000111.5V155 E157 L162 L163V155-V159 HydrophobicContact CG1-CG2 4.35Å; V155-V159 WeakPolarHBondContact O-CG2 3.29Å; V155-V159 PolarHBondContact O-N 3.49Å; E157-V159 VanDerWaalsContact C-N 3.35Å; V159-L162 PolarHBondContact O-N 3.24Å; V159-L163 HydrophobicContact CG1-CD1 3.85Å; V159-L163 WeakPolarHBondContact O-CD1 3.2Å; V159-L163 PolarHBondContact O-N 2.87Å
160N58.5Low51.1Low98 Ų98127.5 Ų127.552%0.52467%0.665SS.*Hα-helixtrans-71.8-35.7174.8-74.7-26.1000112.7D156 E157 L162 L163 E164D156-N160 WeakPolarHBondContact O-CB 3.33Å; D156-N160 PolarHBondContact O-N 3.17Å; D156-N160 VanDerWaalsContact O-N 3.08Å; D156-N160 PolarHBondContact O-ND2 2.82Å; E157-N160 PolarHBondContact O-N 3.37Å; N160-L162 PolarHBondContact O-N 3.46Å; N160-L163 PolarHBondContact O-N 3.29Å; N160-L163 VanDerWaalsContact O-N 3.16Å; N160-E164 PolarHBondContact O-N 3.01Å
161E54.1Low50.4Low138 Ų138129.6 Ų129.665%0.64567%0.665SS**Hα-helixtrans-64.5-26.8174-130.1173.9-169.800112.5E157E157-E161 PolarHBondContact O-N 2.92Å
162L49.3Very low50.1Low128 Ų128131.6 Ų131.667%0.6768%0.675SS**Hα-helixtrans-84.7-19.3175.5-73.5167.2000113.7I158 V159 N160I158-L162 HydrophobicContact CG2-CD1 4.38Å; I158-L162 WeakPolarHBondContact O-CD1 3.25Å; I158-L162 WeakPolarHBondContact O-CG 3.5Å; I158-L162 PolarHBondContact O-N 3.22Å; V159-L162 PolarHBondContact O-N 3.24Å; N160-L162 PolarHBondContact O-N 3.46Å
163L53.4Low49.7Very low114 Ų114128.9 Ų128.960%0.59766%0.664SS**Hα-helixtrans-91.9-20.2-178.3-97.2145.9000113.6V159 N160V159-L163 HydrophobicContact CG1-CD1 3.85Å; V159-L163 WeakPolarHBondContact O-CD1 3.2Å; V159-L163 PolarHBondContact O-N 2.87Å; N160-L163 PolarHBondContact O-N 3.29Å; N160-L163 VanDerWaalsContact O-N 3.16Å
164E54.5Low49Very low176 Ų176128.4 Ų128.482%0.82267%0.669SS**THydrogen-bonded Turntrans-85.4-7.9177.4-68.9-166.1168.700114.3N160N160-E164 PolarHBondContact O-N 3.01Å
165H50.3Low48.5Very low146 Ų146130.6 Ų130.668%0.67668%0.677SS**THydrogen-bonded Turntrans-94.36-176.6-108.2-56.8000115.7N167H165-N167 VanDerWaalsContact C-N 3.34Å; H165-N167 PolarHBondContact O-N 3.38Å
166D47.8Very low47.6Very low138 Ų138130 Ų13074%0.73868%0.683SS**THydrogen-bonded Turntrans-848.5-168.4-110.5-0.8000115.7
167N49.1Very low47.1Very low165 Ų165133.3 Ų133.388%0.88270%0.695SS**THydrogen-bonded Turntrans-124.37.5-173-88.2-33000117.1H165H165-N167 VanDerWaalsContact C-N 3.34Å; H165-N167 PolarHBondContact O-N 3.38Å
168E44.4Very low46.4Very low164 Ų164138.8 Ų138.877%0.76671%0.711SS**SBendtrans-114.1124172.4-70.9-171.1163.500110.8
169E39.3Very low45.6Very low184 Ų184140.9 Ų140.986%0.8672%0.717SS**  trans-46.7134.4170.2-80.3-174.7146.700109.7H171E169-H171 PolarHBondContact O-N 3.42Å
170P41Very low45.1Very low116 Ų116147.4 Ų147.475%0.75374%0.739SS**  trans-65.4104-17625.7-32.2000109.3V172P170-V172 VanDerWaalsContact C-N 3.33Å; P170-V172 PolarHBondContact O-N 3.09Å
171H39.3Very low44.5Very low181 Ų181143.7 Ų143.784%0.83872%0.724SS**  trans-58.5101.2161.8-100.1-38.9000107.3E169 V173E169-H171 PolarHBondContact O-N 3.42Å; H171-V173 PolarHBondContact O-N 2.95Å
172V40.6Very low43.9Very low137 Ų137141.1 Ų141.183%0.8372%0.718SS**  trans-66.480.6170.9-177.90000107.4P170 N174P170-V172 VanDerWaalsContact C-N 3.33Å; P170-V172 PolarHBondContact O-N 3.09Å; V172-N174 PolarHBondContact O-N 2.84Å
173V38.3Very low43.6Very low112 Ų112138.8 Ų138.868%0.67971%0.71SS**  trans-62.7125.6170.3177.80000107H171 M175H171-V173 PolarHBondContact O-N 2.95Å; V173-M175 HydrophobicContact CG1-CG 4.49Å; V173-M175 PolarHBondContact O-N 3.29Å
174N38.8Very low43.3Very low127 Ų127137.4 Ų137.468%0.67970%0.702SS**  trans-64.667.6-173.5-159.1-1.7000112.3V172 A176V172-N174 PolarHBondContact O-N 2.84Å; N174-A176 PolarHBondContact O-N 2.88Å
175M38.2Very low42.8Very low142 Ų142133.2 Ų133.270%0.769%0.69SS**  trans-83.86.9175.1-72.7-131.7-106.100113V173 Q177V173-M175 HydrophobicContact CG1-CG 4.49Å; V173-M175 PolarHBondContact O-N 3.29Å; M175-Q177 PolarHBondContact O-N 3.48Å; M175-Q177 VanDerWaalsContact O-N 3.1Å
176A40Very low42.8Very low87 Ų87129.3 Ų129.372%0.71968%0.676SS**THydrogen-bonded Turntrans-69.1-6.9-173.700000115N174N174-A176 PolarHBondContact O-N 2.88Å
177Q42.3Very low42.8Very low172 Ų172124.2 Ų124.280%0.80466%0.656SS**THydrogen-bonded Turntrans-93.70.6-169.8-83.3-175.8-11.100116.9M175M175-Q177 PolarHBondContact O-N 3.48Å; M175-Q177 VanDerWaalsContact O-N 3.1Å
178R43.1Very low43Very low238 Ų238118.6 Ų118.690%0.89863%0.63SS**SBendtrans-135.52.1-175.3-77-168.4174.3-179.7-0119
179F40Very low43.6Very low129 Ų129112.6 Ų112.657%0.56660%0.6SS**  trans-104.6105.1-177-70.5-83.6000113L127 G181L127-F179 HydrophobicContact CD2-CB 4.12Å; F179-G181 PolarHBondContact O-N 2.94Å; F179-G181 VanDerWaalsContact O-N 3.12Å
180K45.5Very low44.5Very low203 Ų203108.7 Ų108.788%0.88359%0.585SS**  trans-77.574.9158-90.4-176173.5178.90108.5
181G44.4Very low45.7Very low20 Ų20104.8 Ų104.821%0.20657%0.567CS.*  trans-95.5151.2168.800000110.9F179 T183F179-G181 PolarHBondContact O-N 2.94Å; F179-G181 VanDerWaalsContact O-N 3.12Å; G181-T183 PolarHBondContact O-N 3.38Å
182T43.3Very low47.2Very low84 Ų84101.8 Ų101.852%0.51556%0.561SS.*EExtended strand (participates in β ladder)trans-74.9121.7169.9-520000107.9I184T182-I184 PolarHBondContact O-N 3.43Å; T182-I184 VanDerWaalsContact O-N 3.16Å
183T42.6Very low49Very low80 Ų8096.5 Ų96.549%0.49153%0.528SS..EExtended strand (participates in β ladder)trans-66.2110.4172.839.20000110.1L125 G181L125-T183 HydrophobicContact CB-CG2 4.26Å; L125-T183 HydrophobicContact CD2-CG2 3.64Å; L125-T183 HydrophobicContact CG-CG2 4.34Å; G181-T183 PolarHBondContact O-N 3.38Å
184I45.7Very low51Low85 Ų8596.6 Ų96.644%0.43652%0.52SS..EExtended strand (participates in β ladder)trans-95.7119.2171-52.5-177.1000107.5I126 V128 T182 V186I126-I184 PolarHBondContact N-O 3.41Å; I126-I184 PolarHBondContact O-N 2.99Å; V128-I184 HydrophobicContact CB-CD1 4.43Å; V128-I184 HydrophobicContact CG2-CD1 3.64Å; V128-I184 HydrophobicContact CG2-CG1 4.24Å; T182-I184 PolarHBondContact O-N 3.43Å; T182-I184 VanDerWaalsContact O-N 3.16Å; I184-V186 PolarHBondContact O-N 3.3Å; I184-V186 VanDerWaalsContact O-N 3.11Å
185P45Very low53.3Low88 Ų8894 Ų9457%0.57151%0.507SS*.EExtended strand (participates in β ladder)trans-68.7110.2172.927.3-31.1000108.8
186V49.4Very low55.7Low63 Ų6388.9 Ų88.938%0.38248%0.482SS..EExtended strand (participates in β ladder)trans-96.899.9169.9-168.40000107.1W124 I126 I184 S188W124-V186 PolarHBondContact N-O 2.94Å; W124-V186 PolarHBondContact O-N 2.99Å; I126-V186 HydrophobicContact CB-CG2 4.31Å; I126-V186 HydrophobicContact CD1-CB 4.15Å; I126-V186 HydrophobicContact CD1-CG2 3.57Å; I126-V186 HydrophobicContact CG1-CB 4.39Å; I126-V186 HydrophobicContact CG1-CG2 3.77Å; I184-V186 PolarHBondContact O-N 3.3Å; I184-V186 VanDerWaalsContact O-N 3.11Å; V186-S188 PolarHBondContact O-N 2.98Å; V186-S188 VanDerWaalsContact O-N 3.15Å
187G48.3Very low57.9Low31 Ų3189.5 Ų89.532%0.3247%0.472SS..EExtended strand (participates in β ladder)trans-72.1100.8172.800000109.7F121F121-G187 VanDerWaalsContact CZ-CA 3.45Å
188S53.5Low60Low47 Ų4784.1 Ų84.133%0.32945%0.449SS..EExtended strand (participates in β ladder)trans-88.9116.4168.9-175.30000108.8K122 V186 N190K122-S188 PolarHBondContact O-N 3.39Å; V186-S188 PolarHBondContact O-N 2.98Å; V186-S188 VanDerWaalsContact O-N 3.15Å; S188-N190 PolarHBondContact O-N 3.29Å; S188-N190 PolarHBondContact OG-OD1 2.78Å
189Y56.2Low62.3Low38 Ų3872.9 Ų72.915%0.14941%0.407CS..EExtended strand (participates in β ladder)trans-77.2108169.3-177.3-96.8000108.8I117 G191 I193 T278I117-Y189 VanDerWaalsContact C-OH 3.27Å; I117-Y189 WeakPolarHBondContact CA-OH 3.35Å; I117-Y189 WeakPolarHBondContact CB-OH 3.48Å; I117-Y189 HydrophobicContact CG2-CE2 3.83Å; I117-Y189 WeakPolarHBondContact CG2-OH 3.33Å; I117-Y189 WeakPolarHBondContact O-CE2 3.45Å; I117-Y189 VanDerWaalsContact O-CZ 3.24Å; I117-Y189 PolarHBondContact O-OH 3.2Å; Y189-G191 WeakPolarHBondContact CD1-O 3.41Å; Y189-G191 WeakPolarHBondContact CE1-O 3.14Å; Y189-G191 WeakPolarHBondContact OH-CA 3.34Å; Y189-I193 HydrophobicContact CE1-CD1 4.28Å; Y189-I193 HydrophobicContact CE1-CG1 3.82Å; Y189-T278 HydrophobicContact CD1-CG2 3.6Å; Y189-T278 HydrophobicContact CD2-CG2 4.36Å; Y189-T278 HydrophobicContact CE1-CG2 4.34Å; Y189-T278 HydrophobicContact CG-CG2 3.64Å
190N59.6Low64.7Low102 Ų10270.4 Ų70.455%0.54540%0.397SS..  trans-95.415.3-179.1-729.4000113.4S188S188-N190 PolarHBondContact O-N 3.29Å; S188-N190 PolarHBondContact OG-OD1 2.78Å
191G65.2Low66.8Low35 Ų3566 Ų6636%0.36138%0.381SS..SBendtrans-95.1169.7174.400000112.3Y189Y189-G191 WeakPolarHBondContact CD1-O 3.41Å; Y189-G191 WeakPolarHBondContact CE1-O 3.14Å; Y189-G191 WeakPolarHBondContact OH-CA 3.34Å
192V71.1Confident69.1Low118 Ų11865.4 Ų65.472%0.71537%0.373SS*.  trans-109.7123.5170.9178.90000107.4E194V192-E194 HydrophobicContact CG1-CG 4.43Å
193I78.1Confident71.6Confident26 Ų2661.4 Ų61.413%0.13335%0.348CS..  trans-96.1110170.1-51.7-159.8000107.1M112 I117 Y189 I274M112-I193 HydrophobicContact CE-CG2 4.07Å; I117-I193 HydrophobicContact CD1-CB 4.26Å; I117-I193 HydrophobicContact CD1-CD1 4.39Å; I117-I193 HydrophobicContact CD1-CG1 3.98Å; I117-I193 HydrophobicContact CD1-CG2 4.04Å; I117-I193 HydrophobicContact CG1-CG1 4.47Å; I117-I193 HydrophobicContact CG2-CD1 3.62Å; I117-I193 HydrophobicContact CG2-CG1 3.88Å; Y189-I193 HydrophobicContact CE1-CD1 4.28Å; Y189-I193 HydrophobicContact CE1-CG1 3.82Å; I193-I274 HydrophobicContact CB-CD1 4.3Å; I193-I274 HydrophobicContact CB-CG2 4.24Å; I193-I274 HydrophobicContact CD1-CG2 4.06Å; I193-I274 HydrophobicContact CG1-CG2 4.38Å; I193-I274 HydrophobicContact CG2-CD1 3.76Å; I193-I274 HydrophobicContact CG2-CG1 4.1Å
194E81.1Confident74Confident113 Ų11363.1 Ų63.153%0.52835%0.352SS..  trans-71.9163.4-177.9-65.1-179162.300112.2V192 R270V192-E194 HydrophobicContact CG1-CG 4.43Å; E194-R270 PolarHBondContact O-NH1 3.24Å; E194-R270 VanDerWaalsContact O-NH1 3.08Å; E194-R270 PolarHBondContact O-NH2 3.34Å
195N86.6Confident76.3Confident74 Ų7461.6 Ų61.640%0.39634%0.344SS..  trans-71.1158.6169.9-76.2-21.3000111.2I197 R270N195-I197 PolarHBondContact O-N 3.48Å; N195-R270 PolarHBondContact OD1-NH1 3.19Å
196N88Confident78.8Confident33 Ų3357.4 Ų57.418%0.17632%0.317CS..  trans-74.9106.7170-173-38.6000108.2D198 I199 E200 D294N196-D198 VanDerWaalsContact C-N 3.26Å; N196-D198 PolarHBondContact O-N 3.46Å; N196-D198 PolarHBondContact OD1-N 3.33Å; N196-I199 HydrophobicContact CB-CB 4.18Å; N196-I199 HydrophobicContact CB-CG1 4.03Å; N196-I199 PolarHBondContact O-N 2.92Å; N196-I199 PolarHBondContact OD1-N 3.45Å; N196-E200 PolarHBondContact O-N 3.17Å; N196-D294 PolarHBondContact ND2-OD2 3.31Å
197I88Confident81Confident101 Ų10158.5 Ų58.552%0.51831%0.314SS..Hα-helixtrans-60.5-37.3-173.9-61.6171.6000110.9N195 E200 M201N195-I197 PolarHBondContact O-N 3.48Å; I197-E200 PolarHBondContact O-N 2.94Å; I197-M201 HydrophobicContact CG2-CG 4.31Å; I197-M201 HydrophobicContact CG2-SD 4.1Å; I197-M201 WeakPolarHBondContact O-CB 3.3Å; I197-M201 VanDerWaalsContact O-CG 3.31Å; I197-M201 WeakPolarHBondContact O-CG 3.2Å; I197-M201 PolarHBondContact O-N 2.84Å
198D85.2Confident83.3Confident59 Ų5960.9 Ų60.932%0.31632%0.319SS..Hα-helixtrans-65.2-43.6-179.9-58.8-39.6000111.3N196 M201 F202N196-D198 VanDerWaalsContact C-N 3.26Å; N196-D198 PolarHBondContact O-N 3.46Å; N196-D198 PolarHBondContact OD1-N 3.33Å; D198-M201 PolarHBondContact O-N 3.23Å; D198-F202 WeakPolarHBondContact O-CB 3.34Å; D198-F202 PolarHBondContact O-N 3.32Å
199I91Very high85.4Confident2 Ų259 Ų591%0.0131%0.306CS..Hα-helixtrans-67.5-38.7175.9-59.1-63.1000111N196 F202 H203 Y266 D294 E297 F298N196-I199 HydrophobicContact CB-CB 4.18Å; N196-I199 HydrophobicContact CB-CG1 4.03Å; N196-I199 PolarHBondContact O-N 2.92Å; N196-I199 PolarHBondContact OD1-N 3.45Å; I199-F202 PolarHBondContact O-N 3.31Å; I199-H203 VanDerWaalsContact CG2-CE1 3.46Å; I199-H203 WeakPolarHBondContact CG2-CE1 3.37Å; I199-H203 WeakPolarHBondContact O-CB 3.45Å; I199-H203 PolarHBondContact O-N 3.29Å; I199-H203 PolarHBondContact O-ND1 3.45Å; I199-Y266 HydrophobicContact CB-CE1 4.37Å; I199-Y266 HydrophobicContact CG2-CD1 4.13Å; I199-Y266 HydrophobicContact CG2-CE1 3.49Å; I199-Y266 VanDerWaalsContact CG2-CE1 3.49Å; I199-Y266 HydrophobicContact CG2-CE2 4.35Å; I199-D294 WeakPolarHBondContact CD1-O 3.43Å; I199-E297 HydrophobicContact CD1-CB 4.49Å; I199-E297 HydrophobicContact CG2-CB 4.45Å; I199-E297 HydrophobicContact CG2-CG 3.9Å; I199-F298 HydrophobicContact CD1-CB 3.76Å; I199-F298 HydrophobicContact CD1-CD2 4.24Å
200E91.1Very high87.4Confident76 Ų7657.2 Ų57.236%0.35530%0.299SS..Hα-helixtrans-62-46175.9-176.8168.6-172.900111.5N196 I197 H203 M204N196-E200 PolarHBondContact O-N 3.17Å; I197-E200 PolarHBondContact O-N 2.94Å; E200-H203 PolarHBondContact O-N 2.85Å; E200-M204 WeakPolarHBondContact O-CG 3.23Å; E200-M204 PolarHBondContact O-N 2.86Å
201M89.7Confident89.2Confident110 Ų11056.3 Ų56.354%0.54230%0.299SS..Hα-helixtrans-61.8-43.4174.6-73.1-178.665.100111.9I197 D198 H203 M204 I205I197-M201 HydrophobicContact CG2-CG 4.31Å; I197-M201 HydrophobicContact CG2-SD 4.1Å; I197-M201 WeakPolarHBondContact O-CB 3.3Å; I197-M201 VanDerWaalsContact O-CG 3.31Å; I197-M201 WeakPolarHBondContact O-CG 3.2Å; I197-M201 PolarHBondContact O-N 2.84Å; D198-M201 PolarHBondContact O-N 3.23Å; M201-H203 PolarHBondContact O-N 2.82Å; M201-M204 WeakPolarHBondContact O-CB 3.31Å; M201-M204 PolarHBondContact O-N 3.44Å; M201-I205 PolarHBondContact O-N 3.34Å; M201-I205 VanDerWaalsContact O-N 3.13Å
202F92.3Very high90.7Very high8 Ų859.3 Ų59.34%0.03530%0.3CS..Hα-helixtrans-62.3-44.5176-156.8157.9000110.6I98 D198 I199 M204 I205 L206 F298 C301 L302 L305I98-F202 HydrophobicContact CD1-CD2 4.35Å; I98-F202 HydrophobicContact CD1-CE2 3.77Å; I98-F202 HydrophobicContact CD1-CZ 3.84Å; I98-F202 HydrophobicContact CG2-CE1 4.12Å; I98-F202 HydrophobicContact CG2-CZ 4.22Å; D198-F202 WeakPolarHBondContact O-CB 3.34Å; D198-F202 PolarHBondContact O-N 3.32Å; I199-F202 PolarHBondContact O-N 3.31Å; F202-M204 VanDerWaalsContact C-N 3.27Å; F202-M204 PolarHBondContact O-N 2.92Å; F202-I205 PolarHBondContact O-N 3.36Å; F202-I205 VanDerWaalsContact O-N 3.15Å; F202-L206 WeakPolarHBondContact O-CB 3.39Å; F202-L206 PolarHBondContact O-N 2.97Å; F202-F298 AromaticContact CD1-CD2 3.67Å; F202-F298 HydrophobicContact CD1-CD2 3.67Å; F202-F298 AromaticContact CD1-CE2 3.62Å; F202-F298 HydrophobicContact CD1-CE2 3.62Å; F202-F298 HydrophobicContact CD1-CZ 4.42Å; F202-F298 AromaticContact CE1-CD2 3.88Å; F202-F298 HydrophobicContact CE1-CD2 3.88Å; F202-F298 AromaticContact CE1-CE2 3.64Å; F202-F298 HydrophobicContact CE1-CE2 3.64Å; F202-F298 HydrophobicContact CE1-CG 4.42Å; F202-F298 AromaticContact CE1-CZ 4Å; F202-F298 HydrophobicContact CE1-CZ 4Å; F202-C301 HydrophobicContact CD1-CB 3.87Å; F202-C301 HydrophobicContact CD2-CB 3.83Å; F202-C301 HydrophobicContact CE1-CB 3.77Å; F202-C301 HydrophobicContact CE2-CB 3.69Å; F202-C301 HydrophobicContact CG-CB 3.91Å; F202-C301 HydrophobicContact CZ-CB 3.68Å; F202-L302 HydrophobicContact CZ-CB 4.23Å; F202-L302 HydrophobicContact CZ-CD1 4.48Å; F202-L305 HydrophobicContact CE2-CD1 3.54Å; F202-L305 HydrophobicContact CE2-CG 4.14Å; F202-L305 HydrophobicContact CZ-CD1 4.1Å
203H95.3Very high92Very high1 Ų153.7 Ų53.71%0.00527%0.266CS..Hα-helixtrans-58.9-36.1174.8-77.1149.8000113.3I199 E200 M201 R207 I263 Y266 Y267 E297 C301I199-H203 VanDerWaalsContact CG2-CE1 3.46Å; I199-H203 WeakPolarHBondContact CG2-CE1 3.37Å; I199-H203 WeakPolarHBondContact O-CB 3.45Å; I199-H203 PolarHBondContact O-N 3.29Å; I199-H203 PolarHBondContact O-ND1 3.45Å; E200-H203 PolarHBondContact O-N 2.85Å; M201-H203 PolarHBondContact O-N 2.82Å; H203-R207 VanDerWaalsContact O-CB 3.29Å; H203-R207 WeakPolarHBondContact O-CB 3.38Å; H203-R207 WeakPolarHBondContact O-CG 3.38Å; H203-R207 PolarHBondContact O-N 3.48Å; H203-I263 HydrophobicContact CB-CG2 4.13Å; H203-Y266 AromaticContact CE1-CD1 3.47Å; H203-Y266 VanDerWaalsContact CE1-CD1 3.47Å; H203-Y266 WeakPolarHBondContact CE1-CD1 3.45Å; H203-Y266 AromaticContact CE1-CG 3.98Å; H203-Y267 AromaticContact CE1-CE2 3.97Å; H203-Y267 AromaticContact ND1-CE2 3.53Å; H203-Y267 AromaticContact ND1-CZ 3.42Å; H203-Y267 PolarHBondContact ND1-OH 3.23Å; H203-E297 IonicContact CE1-OE1 2.66Å; H203-E297 IonicContact NE2-OE1 3.05Å; H203-E297 PolarHBondContact NE2-OE1 2.71Å; H203-E297 VanDerWaalsContact NE2-OE1 3.08Å; H203-C301 PolarHBondContact CD2-SG 3.24Å; H203-C301 PolarHBondContact NE2-SG 3.41Å
204M94.6Very high92.9Very high115 Ų11553.7 Ų53.757%0.56727%0.267SS*.Hα-helixtrans-62.8-47.9174-70.7177.961.700111.7E200 M201 F202 R207 N208E200-M204 WeakPolarHBondContact O-CG 3.23Å; E200-M204 PolarHBondContact O-N 2.86Å; M201-M204 WeakPolarHBondContact O-CB 3.31Å; M201-M204 PolarHBondContact O-N 3.44Å; F202-M204 VanDerWaalsContact C-N 3.27Å; F202-M204 PolarHBondContact O-N 2.92Å; M204-R207 PolarHBondContact O-N 3.44Å; M204-N208 PolarHBondContact O-N 2.85Å
205I93.9Very high93.7Very high54 Ų5451 Ų5128%0.27726%0.261SS..Hα-helixtrans-59.5-50.2176.9-64.1168.2000110.4M94 M201 F202 R207 N208 F209M94-I205 HydrophobicContact CE-CG2 4.07Å; M94-I205 HydrophobicContact CG-CG2 3.92Å; M94-I205 HydrophobicContact SD-CD1 4.47Å; M94-I205 HydrophobicContact SD-CG2 3.88Å; M201-I205 PolarHBondContact O-N 3.34Å; M201-I205 VanDerWaalsContact O-N 3.13Å; F202-I205 PolarHBondContact O-N 3.36Å; F202-I205 VanDerWaalsContact O-N 3.15Å; I205-R207 PolarHBondContact O-N 2.95Å; I205-N208 PolarHBondContact O-N 3.32Å; I205-F209 HydrophobicContact CG2-CD2 4.07Å; I205-F209 HydrophobicContact CG2-CE2 3.92Å; I205-F209 WeakPolarHBondContact O-CD2 3.4Å; I205-F209 PolarHBondContact O-N 2.93Å
206L96.1Very high94.2Very high0 Ų047.7 Ų47.70%024%0.243CC..Hα-helixtrans-61.4-42.2-179.117761.4000111.9F202 N208 F209 L210 I263 C301 R304 L305F202-L206 WeakPolarHBondContact O-CB 3.39Å; F202-L206 PolarHBondContact O-N 2.97Å; L206-N208 VanDerWaalsContact C-N 3.33Å; L206-N208 PolarHBondContact O-N 2.7Å; L206-F209 PolarHBondContact O-N 3.33Å; L206-L210 HydrophobicContact CD1-CD1 3.87Å; L206-L210 HydrophobicContact CD1-CG 3.99Å; L206-L210 HydrophobicContact CD2-CD1 4.3Å; L206-L210 HydrophobicContact CG-CD1 3.71Å; L206-L210 HydrophobicContact CG-CG 4.27Å; L206-L210 WeakPolarHBondContact O-CB 3.47Å; L206-L210 WeakPolarHBondContact O-CG 3.25Å; L206-L210 PolarHBondContact O-N 3.49Å; L206-I263 HydrophobicContact CD2-CD1 3.95Å; L206-I263 HydrophobicContact CD2-CG1 4.23Å; L206-I263 HydrophobicContact CG-CD1 4.14Å; L206-C301 HydrophobicContact CD2-CB 4.31Å; L206-R304 HydrophobicContact CD1-CB 4Å; L206-R304 HydrophobicContact CD2-CB 4.05Å; L206-L305 HydrophobicContact CD1-CD2 3.65Å; L206-L305 HydrophobicContact CD1-CG 3.94Å
207R96.9Very high94.6Very high86 Ų8646.1 Ų46.133%0.32524%0.235SC..Hα-helixtrans-59.3-42.9176.8-81176-177.2173.53.9112H203 M204 I205 F209 L210 C211 I263H203-R207 VanDerWaalsContact O-CB 3.29Å; H203-R207 WeakPolarHBondContact O-CB 3.38Å; H203-R207 WeakPolarHBondContact O-CG 3.38Å; H203-R207 PolarHBondContact O-N 3.48Å; M204-R207 PolarHBondContact O-N 3.44Å; I205-R207 PolarHBondContact O-N 2.95Å; R207-F209 PolarHBondContact O-N 2.89Å; R207-L210 PolarHBondContact O-N 3.18Å; R207-C211 WeakPolarHBondContact O-CB 3.29Å; R207-C211 PolarHBondContact O-N 3.47Å; R207-C211 PolarHBondContact O-SG 3.47Å; R207-C211 VanDerWaalsContact O-SG 3.33Å; R207-I263 HydrophobicContact CG-CD1 3.65Å
208N96.6Very high95Very high80 Ų8044.4 Ų44.443%0.42823%0.226SC..Hα-helixtrans-60.4-45.8179.1-71.4-13.9000111.5M204 I205 L206 R212M204-N208 PolarHBondContact O-N 2.85Å; I205-N208 PolarHBondContact O-N 3.32Å; L206-N208 VanDerWaalsContact C-N 3.33Å; L206-N208 PolarHBondContact O-N 2.7Å; N208-R212 WeakPolarHBondContact O-CG 3.18Å; N208-R212 PolarHBondContact O-N 2.88Å
209F97.4Very high95.5Very high9 Ų944.9 Ų44.94%0.03923%0.227CC..Hα-helixtrans-65.1-43.2176-78-67.8000112.9M87 E90 V91 M94 I205 L206 R207 R212 A213 L305 V308M87-F209 HydrophobicContact CE-CD1 3.92Å; M87-F209 HydrophobicContact CE-CE1 4.14Å; E90-F209 HydrophobicContact CB-CE1 4.49Å; E90-F209 HydrophobicContact CG-CE1 3.94Å; E90-F209 HydrophobicContact CG-CZ 4.08Å; V91-F209 HydrophobicContact CB-CE1 4.46Å; V91-F209 HydrophobicContact CG2-CD1 3.41Å; V91-F209 VanDerWaalsContact CG2-CD1 3.41Å; V91-F209 HydrophobicContact CG2-CE1 3.56Å; V91-F209 HydrophobicContact CG2-CG 4.13Å; V91-F209 HydrophobicContact CG2-CZ 4.38Å; M94-F209 HydrophobicContact CB-CE2 4.08Å; M94-F209 HydrophobicContact CB-CZ 4.18Å; M94-F209 HydrophobicContact CE-CE2 4.12Å; M94-F209 HydrophobicContact CE-CZ 4.42Å; M94-F209 HydrophobicContact CG-CE2 3.89Å; M94-F209 HydrophobicContact CG-CZ 4.46Å; I205-F209 HydrophobicContact CG2-CD2 4.07Å; I205-F209 HydrophobicContact CG2-CE2 3.92Å; I205-F209 WeakPolarHBondContact O-CD2 3.4Å; I205-F209 PolarHBondContact O-N 2.93Å; L206-F209 PolarHBondContact O-N 3.33Å; R207-F209 PolarHBondContact O-N 2.89Å; F209-R212 PolarHBondContact O-N 2.89Å; F209-A213 VanDerWaalsContact O-CB 3.3Å; F209-A213 WeakPolarHBondContact O-CB 3.46Å; F209-A213 PolarHBondContact O-N 2.95Å; F209-L305 HydrophobicContact CB-CD2 4.32Å; F209-L305 HydrophobicContact CD2-CD2 3.87Å; F209-L305 HydrophobicContact CG-CD2 4.32Å; F209-V308 HydrophobicContact CB-CG1 4.5Å
210L97.9Very high95.7Very high0 Ų044.8 Ų44.80%023%0.226CC..Hα-helixtrans-64.7-42.7178.5-73.9170.6000112.2L206 R207 R212 A213 V214 L256 C259 I263 V308L206-L210 HydrophobicContact CD1-CD1 3.87Å; L206-L210 HydrophobicContact CD1-CG 3.99Å; L206-L210 HydrophobicContact CD2-CD1 4.3Å; L206-L210 HydrophobicContact CG-CD1 3.71Å; L206-L210 HydrophobicContact CG-CG 4.27Å; L206-L210 WeakPolarHBondContact O-CB 3.47Å; L206-L210 WeakPolarHBondContact O-CG 3.25Å; L206-L210 PolarHBondContact O-N 3.49Å; R207-L210 PolarHBondContact O-N 3.18Å; L210-R212 VanDerWaalsContact C-N 3.34Å; L210-R212 PolarHBondContact O-N 3.13Å; L210-A213 PolarHBondContact O-N 3.15Å; L210-V214 WeakPolarHBondContact O-CB 3.48Å; L210-V214 VanDerWaalsContact O-CG2 3.25Å; L210-V214 WeakPolarHBondContact O-CG2 3.47Å; L210-V214 PolarHBondContact O-N 3.01Å; L210-L256 HydrophobicContact CD2-CD2 4.04Å; L210-C259 HydrophobicContact CD1-CB 4.16Å; L210-C259 HydrophobicContact CD2-CB 3.73Å; L210-I263 HydrophobicContact CD1-CD1 3.93Å; L210-V308 HydrophobicContact CD2-CG2 3.63Å; L210-V308 HydrophobicContact CG-CG2 4.31Å
211C97Very high95.9Very high83 Ų8342.1 Ų42.156%0.56121%0.213SC*.Hα-helixtrans-60.8-43.7177.9-76.70000111.8R207 S215R207-C211 WeakPolarHBondContact O-CB 3.29Å; R207-C211 PolarHBondContact O-N 3.47Å; R207-C211 PolarHBondContact O-SG 3.47Å; R207-C211 VanDerWaalsContact O-SG 3.33Å; C211-S215 PolarHBondContact O-N 3.26Å; C211-S215 VanDerWaalsContact O-N 3.17Å
212R97.3Very high96Very high98 Ų9839.6 Ų39.637%0.3720%0.204SC..Hα-helixtrans-63.5-49.5174.9-68.2177.2-175.2176.52111E11 M87 E90 N208 F209 L210 V214 S215 D216E11-R212 IonicContact OE1-NH2 3.17Å; E11-R212 IonicContact OE2-NH2 2.84Å; E11-R212 PolarHBondContact OE2-NH2 3Å; M87-R212 HydrophobicContact CE-CB 4.49Å; E90-R212 IonicContact OE1-NH1 3.57Å; N208-R212 WeakPolarHBondContact O-CG 3.18Å; N208-R212 PolarHBondContact O-N 2.88Å; F209-R212 PolarHBondContact O-N 2.89Å; L210-R212 VanDerWaalsContact C-N 3.34Å; L210-R212 PolarHBondContact O-N 3.13Å; R212-V214 PolarHBondContact O-N 3.03Å; R212-S215 WeakPolarHBondContact O-CB 3.29Å; R212-S215 PolarHBondContact O-N 3.46Å; R212-S215 VanDerWaalsContact O-N 3.12Å; R212-D216 VanDerWaalsContact O-CG 3.32Å; R212-D216 PolarHBondContact O-N 3.26Å
213A97.8Very high96.1Very high0 Ų039.2 Ų39.20%020%0.202CC..Hα-helixtrans-59.5-46179.100000113.2F209 L210 S215 D216 F217 L256 V308 Y312F209-A213 VanDerWaalsContact O-CB 3.3Å; F209-A213 WeakPolarHBondContact O-CB 3.46Å; F209-A213 PolarHBondContact O-N 2.95Å; L210-A213 PolarHBondContact O-N 3.15Å; A213-S215 VanDerWaalsContact C-N 3.29Å; A213-S215 PolarHBondContact O-N 2.85Å; A213-D216 PolarHBondContact O-N 3.31Å; A213-F217 WeakPolarHBondContact O-CB 3.19Å; A213-F217 WeakPolarHBondContact O-CD2 3.31Å; A213-F217 PolarHBondContact O-N 3.28Å; A213-L256 HydrophobicContact CB-CD1 3.79Å; A213-L256 HydrophobicContact CB-CD2 4.08Å; A213-V308 HydrophobicContact CB-CG1 4.13Å; A213-Y312 WeakPolarHBondContact CA-OH 3.49Å; A213-Y312 HydrophobicContact CB-CE2 3.87Å; A213-Y312 PolarHBondContact N-OH 3.29Å
214V97.7Very high96Very high25 Ų2539.1 Ų39.115%0.15220%0.202CC..Hα-helixtrans-58.9-42.7175.9167.70000111.1L210 R212 N218 Y253 L256 M257L210-V214 WeakPolarHBondContact O-CB 3.48Å; L210-V214 VanDerWaalsContact O-CG2 3.25Å; L210-V214 WeakPolarHBondContact O-CG2 3.47Å; L210-V214 PolarHBondContact O-N 3.01Å; R212-V214 PolarHBondContact O-N 3.03Å; V214-N218 VanDerWaalsContact O-CB 3.29Å; V214-N218 WeakPolarHBondContact O-CB 3.24Å; V214-N218 PolarHBondContact O-N 3.28Å; V214-Y253 HydrophobicContact CG1-CD2 4.48Å; V214-Y253 HydrophobicContact CG1-CE2 3.74Å; V214-L256 HydrophobicContact CG2-CB 3.99Å; V214-M257 HydrophobicContact CB-SD 4.32Å; V214-M257 HydrophobicContact CG1-CG 4.28Å; V214-M257 HydrophobicContact CG1-SD 3.48Å; V214-M257 WeakPolarHBondContact CG1-SD 3.19Å; V214-M257 HydrophobicContact CG2-CG 4.15Å; V214-M257 HydrophobicContact CG2-SD 3.79Å
215S97.1Very high95.8Very high58 Ų5840.1 Ų40.141%0.40620%0.199SC..Hα-helixtrans-62.6-47.6176.7-1750000112.1C211 R212 A213 N218 Q219C211-S215 PolarHBondContact O-N 3.26Å; C211-S215 VanDerWaalsContact O-N 3.17Å; R212-S215 WeakPolarHBondContact O-CB 3.29Å; R212-S215 PolarHBondContact O-N 3.46Å; R212-S215 VanDerWaalsContact O-N 3.12Å; A213-S215 VanDerWaalsContact C-N 3.29Å; A213-S215 PolarHBondContact O-N 2.85Å; S215-N218 PolarHBondContact O-N 3.25Å; S215-Q219 WeakPolarHBondContact O-CG 3.36Å; S215-Q219 PolarHBondContact O-N 3.43Å; S215-Q219 PolarHBondContact OG-NE2 3.41Å
216D97.4Very high95.6Very high4 Ų440.7 Ų40.72%0.02120%0.203CC..Hα-helixtrans-65.1-41.8-179.2-67.7-30.3000112Y76 Y79 H83 F84 R212 A213 Q219 T220 Y312Y76-D216 PolarHBondContact OH-O 3.37Å; Y79-D216 WeakPolarHBondContact CE1-OD1 3.31Å; Y79-D216 PolarHBondContact OH-OD1 3.22Å; H83-D216 IonicContact CD2-OD2 2.94Å; H83-D216 IonicContact NE2-OD1 2.61Å; H83-D216 IonicContact NE2-OD2 2.73Å; H83-D216 PolarHBondContact NE2-OD2 2.94Å; F84-D216 HydrophobicContact CE2-CB 4.3Å; F84-D216 HydrophobicContact CZ-CB 4.46Å; R212-D216 VanDerWaalsContact O-CG 3.32Å; R212-D216 PolarHBondContact O-N 3.26Å; A213-D216 PolarHBondContact O-N 3.31Å; D216-Q219 PolarHBondContact O-N 3.47Å; D216-T220 WeakPolarHBondContact O-CB 3.47Å; D216-T220 PolarHBondContact O-N 3.18Å; D216-T220 PolarHBondContact O-OG1 3.13Å; D216-Y312 HydrophobicContact CB-CE1 4.29Å; D216-Y312 PolarHBondContact OD2-OH 3.16Å
217F97.5Very high95.2Very high0 Ų041.8 Ų41.80%021%0.208CC..Hα-helixtrans-69.6-36.1177.9-84.6-102.8000111.8F84 A213 T220 K221 V249 A252 Y253 L256 T311 Y312 T315F84-F217 HydrophobicContact CE1-CE2 4.03Å; F84-F217 HydrophobicContact CE1-CZ 4.01Å; F84-F217 HydrophobicContact CZ-CE2 4.34Å; A213-F217 WeakPolarHBondContact O-CB 3.19Å; A213-F217 WeakPolarHBondContact O-CD2 3.31Å; A213-F217 PolarHBondContact O-N 3.28Å; F217-T220 WeakPolarHBondContact O-CB 3.36Å; F217-T220 PolarHBondContact O-N 3.43Å; F217-K221 WeakPolarHBondContact O-CG 3.4Å; F217-K221 PolarHBondContact O-N 3.15Å; F217-V249 HydrophobicContact CD1-CG1 4.17Å; F217-A252 HydrophobicContact CD1-CB 3.84Å; F217-A252 HydrophobicContact CE1-CB 3.55Å; F217-Y253 HydrophobicContact CB-CD2 4.08Å; F217-L256 HydrophobicContact CB-CD1 4.37Å; F217-L256 HydrophobicContact CD1-CD1 4.38Å; F217-L256 HydrophobicContact CD2-CD1 3.71Å; F217-L256 HydrophobicContact CE2-CD1 4.12Å; F217-L256 HydrophobicContact CG-CD1 3.87Å; F217-T311 HydrophobicContact CD1-CG2 4.28Å; F217-T311 HydrophobicContact CD2-CG2 4.5Å; F217-T311 HydrophobicContact CE1-CG2 3.45Å; F217-T311 VanDerWaalsContact CE1-CG2 3.45Å; F217-T311 HydrophobicContact CE2-CG2 3.71Å; F217-T311 HydrophobicContact CZ-CG2 3.12Å; F217-Y312 AromaticContact CE2-CD1 3.92Å; F217-Y312 HydrophobicContact CE2-CD1 3.92Å; F217-Y312 AromaticContact CE2-CE1 3.97Å; F217-Y312 HydrophobicContact CE2-CE1 3.97Å; F217-Y312 HydrophobicContact CE2-CG 4.43Å; F217-T315 HydrophobicContact CE1-CG2 3.84Å; F217-T315 WeakPolarHBondContact CE1-OG1 3.33Å; F217-T315 HydrophobicContact CZ-CG2 4.01Å; F217-T315 WeakPolarHBondContact CZ-OG1 3.29Å
218N96.2Very high94.6Very high64 Ų6443.9 Ų43.934%0.34222%0.219SC..Hα-helixtrans-63-45.9172.4-17441.6000112.1V214 S215 T220 K221 V222 Y253V214-N218 VanDerWaalsContact O-CB 3.29Å; V214-N218 WeakPolarHBondContact O-CB 3.24Å; V214-N218 PolarHBondContact O-N 3.28Å; S215-N218 PolarHBondContact O-N 3.25Å; N218-T220 PolarHBondContact O-N 3.19Å; N218-K221 WeakPolarHBondContact O-CB 3.25Å; N218-K221 PolarHBondContact O-N 3.19Å; N218-V222 WeakPolarHBondContact O-CG2 3.36Å; N218-V222 PolarHBondContact O-N 2.92Å; N218-Y253 HydrophobicContact CB-CD2 4.35Å; N218-Y253 HydrophobicContact CB-CE2 3.92Å
219Q94.8Very high93.6Very high70 Ų7040.7 Ų40.733%0.32720%0.203SC..Hα-helixtrans-62.4-34.7175.4-70.6177.155.800111.7Y76 S215 D216 V222 W223Y76-Q219 HydrophobicContact CE2-CB 3.47Å; Y76-Q219 VanDerWaalsContact CE2-CB 3.47Å; Y76-Q219 HydrophobicContact CE2-CG 4.42Å; Y76-Q219 VanDerWaalsContact OH-CB 3.25Å; Y76-Q219 WeakPolarHBondContact OH-CB 3.2Å; S215-Q219 WeakPolarHBondContact O-CG 3.36Å; S215-Q219 PolarHBondContact O-N 3.43Å; S215-Q219 PolarHBondContact OG-NE2 3.41Å; D216-Q219 PolarHBondContact O-N 3.47Å; Q219-V222 PolarHBondContact O-N 3.49Å; Q219-W223 WeakPolarHBondContact O-CB 3.49Å; Q219-W223 PolarHBondContact O-N 3Å
220T95.4Very high92.5Very high0 Ų044.6 Ų44.60%022%0.224CC..Hα-helixtrans-66.9-40.7175.5-53.50000112Y76 I80 F84 D216 F217 N218 V222 W223 L224 V249 I319Y76-T220 HydrophobicContact CE1-CG2 4.49Å; Y76-T220 PolarHBondContact OH-N 3.28Å; Y76-T220 PolarHBondContact OH-OG1 2.88Å; I80-T220 HydrophobicContact CD1-CG2 4.35Å; F84-T220 WeakPolarHBondContact CZ-OG1 3.48Å; D216-T220 WeakPolarHBondContact O-CB 3.47Å; D216-T220 PolarHBondContact O-N 3.18Å; D216-T220 PolarHBondContact O-OG1 3.13Å; F217-T220 WeakPolarHBondContact O-CB 3.36Å; F217-T220 PolarHBondContact O-N 3.43Å; N218-T220 PolarHBondContact O-N 3.19Å; T220-V222 VanDerWaalsContact C-N 3.33Å; T220-V222 PolarHBondContact O-N 2.91Å; T220-W223 PolarHBondContact O-N 3.49Å; T220-L224 HydrophobicContact CG2-CD1 4.48Å; T220-L224 WeakPolarHBondContact O-CG 3.41Å; T220-L224 PolarHBondContact O-N 2.89Å; T220-V249 HydrophobicContact CG2-CG1 3.91Å; T220-V249 HydrophobicContact CG2-CG2 4.32Å; T220-I319 HydrophobicContact CG2-CD1 3.59Å
221K94.8Very high91.1Very high19 Ų1950 Ų508%0.08325%0.252CS..Hα-helixtrans-58.5-45.3171.7-69.5169.872.1177.40111.1F217 N218 L224 R225 V249 Y253F217-K221 WeakPolarHBondContact O-CG 3.4Å; F217-K221 PolarHBondContact O-N 3.15Å; N218-K221 WeakPolarHBondContact O-CB 3.25Å; N218-K221 PolarHBondContact O-N 3.19Å; K221-L224 PolarHBondContact O-N 3.29Å; K221-R225 WeakPolarHBondContact O-CG 3.38Å; K221-R225 PolarHBondContact O-N 3.4Å; K221-V249 HydrophobicContact CG-CG1 3.83Å; K221-Y253 HydrophobicContact CD-CD1 4.28Å; K221-Y253 HydrophobicContact CD-CD2 4.36Å; K221-Y253 HydrophobicContact CD-CG 3.95Å
222V93.2Very high89.8Confident57 Ų5752.2 Ų52.235%0.34526%0.262SS..Hα-helixtrans-62-45.9176.8175.30000110.9F72 N218 Q219 T220 L224 R225 L226F72-V222 HydrophobicContact CZ-CG1 4.46Å; N218-V222 WeakPolarHBondContact O-CG2 3.36Å; N218-V222 PolarHBondContact O-N 2.92Å; Q219-V222 PolarHBondContact O-N 3.49Å; T220-V222 VanDerWaalsContact C-N 3.33Å; T220-V222 PolarHBondContact O-N 2.91Å; V222-L224 PolarHBondContact O-N 2.97Å; V222-R225 PolarHBondContact O-N 3.08Å; V222-L226 WeakPolarHBondContact O-CG 3.22Å; V222-L226 PolarHBondContact O-N 3.19Å; V222-L226 VanDerWaalsContact O-N 3.1Å
223W93.8Very high88.1Confident0 Ų054.7 Ų54.70%028%0.278CS..Hα-helixtrans-60.4-42.8177.8175.983.3000112.8F72 K73 Y76 I80 Q219 T220 L226 H227 I319 L323F72-W223 HydrophobicContact CE1-CB 4.15Å; K73-W223 PolarHBondContact O-NE1 2.56Å; K73-W223 VanDerWaalsContact O-NE1 3.1Å; Y76-W223 HydrophobicContact CD1-CB 3.39Å; Y76-W223 AromaticContact CD1-CD1 3.6Å; Y76-W223 AromaticContact CD1-CD2 3.92Å; Y76-W223 HydrophobicContact CD1-CD2 3.92Å; Y76-W223 AromaticContact CD1-CG 3.34Å; Y76-W223 HydrophobicContact CD1-CG 3.34Å; Y76-W223 HydrophobicContact CE1-CB 3.8Å; Y76-W223 HydrophobicContact CE1-CG 4.12Å; Y76-W223 HydrophobicContact CG-CB 4.1Å; Y76-W223 AromaticContact CG-CD1 3.93Å; Y76-W223 HydrophobicContact CG-CG 4.07Å; I80-W223 HydrophobicContact CD1-CD2 4.22Å; I80-W223 HydrophobicContact CD1-CE3 3.95Å; I80-W223 HydrophobicContact CD1-CH2 4.46Å; I80-W223 HydrophobicContact CD1-CZ3 4.08Å; Q219-W223 WeakPolarHBondContact O-CB 3.49Å; Q219-W223 PolarHBondContact O-N 3Å; T220-W223 PolarHBondContact O-N 3.49Å; W223-L226 PolarHBondContact O-N 3.43Å; W223-H227 AromaticContact CD2-CD2 3.87Å; W223-H227 AromaticContact CE2-CD2 3.49Å; W223-H227 VanDerWaalsContact CE2-CD2 3.49Å; W223-H227 AromaticContact CE2-NE2 3.31Å; W223-H227 VanDerWaalsContact CE2-NE2 3.31Å; W223-H227 AromaticContact CZ2-CD2 3.62Å; W223-H227 AromaticContact CZ2-NE2 3.29Å; W223-H227 VanDerWaalsContact CZ2-NE2 3.29Å; W223-H227 WeakPolarHBondContact CZ2-NE2 3.44Å; W223-H227 AromaticContact NE1-CD2 3.82Å; W223-H227 AromaticContact NE1-NE2 3.42Å; W223-H227 PolarHBondContact NE1-NE2 2.71Å; W223-H227 PolarHBondContact O-CD2 3.11Å; W223-H227 PolarHBondContact O-N 3.33Å; W223-I319 HydrophobicContact CH2-CG2 4.22Å; W223-I319 HydrophobicContact CZ3-CG2 4.16Å; W223-L323 HydrophobicContact CH2-CD2 3.58Å; W223-L323 HydrophobicContact CZ2-CD2 4.05Å
224L92.6Very high86.6Confident0 Ų057 Ų570%029%0.289CS..Hα-helixtrans-61.7-46.2174.2-74.6171.3000111.3T220 K221 V222 L226 H227 K228 F242 V245 V249 I326T220-L224 HydrophobicContact CG2-CD1 4.48Å; T220-L224 WeakPolarHBondContact O-CG 3.41Å; T220-L224 PolarHBondContact O-N 2.89Å; K221-L224 PolarHBondContact O-N 3.29Å; V222-L224 PolarHBondContact O-N 2.97Å; L224-L226 PolarHBondContact O-N 3.35Å; L224-H227 CarbonylContact O-C 3.19Å; L224-H227 WeakPolarHBondContact O-CA 3.48Å; L224-H227 WeakPolarHBondContact O-CB 3.45Å; L224-H227 PolarHBondContact O-N 2.96Å; L224-K228 PolarHBondContact O-N 2.99Å; L224-F242 HydrophobicContact CB-CE2 4.43Å; L224-F242 HydrophobicContact CB-CZ 4.42Å; L224-F242 HydrophobicContact CD2-CE2 4.37Å; L224-F242 WeakPolarHBondContact O-CE2 3.22Å; L224-F242 WeakPolarHBondContact O-CZ 3.36Å; L224-V245 HydrophobicContact CD1-CG1 3.94Å; L224-V245 HydrophobicContact CD2-CG1 3.81Å; L224-V249 HydrophobicContact CD1-CB 3.94Å; L224-V249 HydrophobicContact CD1-CG1 4.25Å; L224-V249 HydrophobicContact CD1-CG2 3.78Å; L224-I326 HydrophobicContact CD2-CD1 4.17Å
225R91.1Very high85.8Confident135 Ų13558.9 Ų58.951%0.50930%0.303SS..Hα-helixtrans-58.6-35178.4-73.3172.1-178.7165.7-1.8113.1K221 V222 H227 K228K221-R225 WeakPolarHBondContact O-CG 3.38Å; K221-R225 PolarHBondContact O-N 3.4Å; V222-R225 PolarHBondContact O-N 3.08Å; R225-H227 PolarHBondContact O-N 3.29Å; R225-K228 WeakPolarHBondContact O-CB 3.29Å; R225-K228 PolarHBondContact O-N 3.27Å; R225-K228 VanDerWaalsContact O-N 3.14Å
226L89.7Confident85.2Confident67 Ų6764.7 Ų64.735%0.35132%0.321SS..Hα-helixtrans-68.4-22.7174.3-66.5174.1000112.8F72 K73 V222 W223 L224F72-L226 HydrophobicContact CD1-CD1 3.38Å; F72-L226 HydrophobicContact CE1-CD1 3.61Å; F72-L226 HydrophobicContact CG-CD1 4.33Å; K73-L226 VanDerWaalsContact CE-C 3.46Å; K73-L226 WeakPolarHBondContact CE-O 3.48Å; K73-L226 PolarHBondContact NZ-O 2.77Å; V222-L226 WeakPolarHBondContact O-CG 3.22Å; V222-L226 PolarHBondContact O-N 3.19Å; V222-L226 VanDerWaalsContact O-N 3.1Å; W223-L226 PolarHBondContact O-N 3.43Å; L224-L226 PolarHBondContact O-N 3.35Å
227H86.8Confident84.5Confident22 Ų2269.8 Ų69.810%0.10235%0.352CS..THydrogen-bonded Turntrans-91.94.1172.8-75.3-68.4000113.7K73 W223 L224 R225 P229 F242 I326K73-H227 VanDerWaalsContact CD-CE1 3.47Å; K73-H227 WeakPolarHBondContact CD-CE1 3.35Å; K73-H227 WeakPolarHBondContact CE-ND1 3.19Å; K73-H227 PolarHBondContact NZ-ND1 3.33Å; K73-H227 VanDerWaalsContact NZ-ND1 3.12Å; W223-H227 AromaticContact CD2-CD2 3.87Å; W223-H227 AromaticContact CE2-CD2 3.49Å; W223-H227 VanDerWaalsContact CE2-CD2 3.49Å; W223-H227 AromaticContact CE2-NE2 3.31Å; W223-H227 VanDerWaalsContact CE2-NE2 3.31Å; W223-H227 AromaticContact CZ2-CD2 3.62Å; W223-H227 AromaticContact CZ2-NE2 3.29Å; W223-H227 VanDerWaalsContact CZ2-NE2 3.29Å; W223-H227 WeakPolarHBondContact CZ2-NE2 3.44Å; W223-H227 AromaticContact NE1-CD2 3.82Å; W223-H227 AromaticContact NE1-NE2 3.42Å; W223-H227 PolarHBondContact NE1-NE2 2.71Å; W223-H227 PolarHBondContact O-CD2 3.11Å; W223-H227 PolarHBondContact O-N 3.33Å; L224-H227 CarbonylContact O-C 3.19Å; L224-H227 WeakPolarHBondContact O-CA 3.48Å; L224-H227 WeakPolarHBondContact O-CB 3.45Å; L224-H227 PolarHBondContact O-N 2.96Å; R225-H227 PolarHBondContact O-N 3.29Å; H227-P229 VanDerWaalsContact O-CD 3.31Å; H227-P229 WeakPolarHBondContact O-CD 3.44Å; H227-F242 HydrophobicContact CB-CE2 4.08Å; H227-I326 HydrophobicContact CB-CG2 3.72Å
228K84.6Confident83.8Confident130 Ų13072.3 Ų72.357%0.56536%0.362SS*.PPolyproline II helixtrans-54.4118-179.5-174.2178.2-177.7178.90109.6L224 R225 F242L224-K228 PolarHBondContact O-N 2.99Å; R225-K228 WeakPolarHBondContact O-CB 3.29Å; R225-K228 PolarHBondContact O-N 3.27Å; R225-K228 VanDerWaalsContact O-N 3.14Å; K228-F242 HydrophobicContact CB-CE1 4.28Å; K228-F242 HydrophobicContact CB-CZ 4.07Å; K228-F242 HydrophobicContact CG-CE1 4.22Å
229P75.4Confident83.3Confident14 Ų1472.4 Ų72.49%0.09136%0.358CS..PPolyproline II helixtrans-73.3149-177.130.1-36.2000111H227 I231 Q234 Y239 F242H227-P229 VanDerWaalsContact O-CD 3.31Å; H227-P229 WeakPolarHBondContact O-CD 3.44Å; P229-I231 PolarHBondContact O-N 3.06Å; P229-Q234 HydrophobicContact CB-CB 4.4Å; P229-Q234 HydrophobicContact CB-CG 3.69Å; P229-Q234 VanDerWaalsContact CB-NE2 3.33Å; P229-Q234 VanDerWaalsContact CG-OE1 3.3Å; P229-Y239 HydrophobicContact CG-CD2 4.08Å; P229-F242 HydrophobicContact CG-CG 4.41Å
230D73.9Confident83Confident91 Ų9173.8 Ų73.849%0.48737%0.367SS..PPolyproline II helixtrans-66.5121.4166.7-166.5-10.3000108.5V232 Q233D230-V232 PolarHBondContact O-N 3.45Å; D230-V232 PolarHBondContact OD1-N 3.23Å; D230-Q233 HydrophobicContact CB-CG 4.35Å; D230-Q233 PolarHBondContact O-N 3.45Å
231I68.8Low82.6Confident114 Ų11475.7 Ų75.759%0.58538%0.378SS*.THydrogen-bonded Turntrans-56.6-27.7-175.4-62.5170.7000110.5P229 Y239P229-I231 PolarHBondContact O-N 3.06Å; I231-Y239 HydrophobicContact CD1-CE2 4.5Å; I231-Y239 HydrophobicContact CG1-CD2 4.39Å; I231-Y239 HydrophobicContact CG1-CE2 3.94Å
232V69.9Low82.4Confident128 Ų12875.1 Ų75.178%0.77638%0.375SS*.THydrogen-bonded Turntrans-73-31.2-178.3-175.10000112.3D230D230-V232 PolarHBondContact O-N 3.45Å; D230-V232 PolarHBondContact OD1-N 3.23Å
233Q62.6Low82.3Confident150 Ų15077.1 Ų77.170%0.70138%0.379SS*.THydrogen-bonded Turntrans-97.8-21.1-167.6-66.2-174.1-1.500114.5D230D230-Q233 HydrophobicContact CB-CG 4.35Å; D230-Q233 PolarHBondContact O-N 3.45Å
234Q66.3Low82.2Confident50 Ų5079 Ų7923%0.23440%0.395CS..SBendtrans-99.5149.8-173.4-72.4-158.1-10.600114.2P229 R238P229-Q234 HydrophobicContact CB-CB 4.4Å; P229-Q234 HydrophobicContact CB-CG 3.69Å; P229-Q234 VanDerWaalsContact CB-NE2 3.33Å; P229-Q234 VanDerWaalsContact CG-OE1 3.3Å; Q234-R238 HydrophobicContact CB-CB 4.33Å; Q234-R238 VanDerWaalsContact OE1-CB 3.28Å
235S79.8Confident82.3Confident64 Ų6479 Ų7945%0.44840%0.395SS..  trans-58.7142.1166.674.70000109.5V237 R238 Y239S235-V237 PolarHBondContact O-N 3.14Å; S235-R238 PolarHBondContact O-N 2.85Å; S235-R238 PolarHBondContact OG-N 3.07Å; S235-Y239 PolarHBondContact O-N 3.27Å
236K84Confident82.4Confident179 Ų17975 Ų7578%0.77838%0.382SS*.Hα-helixtrans-50.9-31.2177.4-68.9-179.7178.9177.40112.4N240K236-N240 VanDerWaalsContact O-CB 3.32Å; K236-N240 WeakPolarHBondContact O-CB 3.46Å; K236-N240 PolarHBondContact O-N 3.1Å; K236-N240 PolarHBondContact O-ND2 2.98Å
237V83.1Confident82.6Confident111 Ų11176.8 Ų76.867%0.67339%0.39SS*.Hα-helixtrans-65.3-48.9178.5-178.90000111.6S235 N240 L241S235-V237 PolarHBondContact O-N 3.14Å; V237-N240 PolarHBondContact O-N 2.73Å; V237-L241 PolarHBondContact O-N 3.46Å
238R83.3Confident83.1Confident54 Ų5479 Ų7920%0.20440%0.4CS..Hα-helixtrans-62.3-46.3178.8-73.8-173.6-179.8158.93.3111.9Q234 S235 N240 L241 F242 E325 D332Q234-R238 HydrophobicContact CB-CB 4.33Å; Q234-R238 VanDerWaalsContact OE1-CB 3.28Å; S235-R238 PolarHBondContact O-N 2.85Å; S235-R238 PolarHBondContact OG-N 3.07Å; R238-N240 VanDerWaalsContact C-N 3.33Å; R238-N240 PolarHBondContact O-N 2.86Å; R238-L241 PolarHBondContact O-N 3.14Å; R238-F242 PolarHBondContact O-N 3.29Å; R238-E325 WeakPolarHBondContact CD-OE2 3.2Å; R238-E325 WeakPolarHBondContact CG-OE2 3.33Å; R238-E325 IonicContact CZ-OE2 3.61Å; R238-E325 IonicContact NE-OE2 3.32Å; R238-E325 PolarHBondContact NE-OE2 3.5Å; R238-E325 IonicContact NH2-OE2 3.62Å; R238-D332 IonicContact CZ-OD2 2.7Å; R238-D332 IonicContact NH1-OD2 3.92Å; R238-D332 IonicContact NH2-OD2 3.08Å; R238-D332 PolarHBondContact NH2-OD2 3.46Å
239Y86.3Confident83.6Confident66 Ų6672.8 Ų72.826%0.25937%0.373SS..Hα-helixtrans-58.6-44.8176.5177.1-100.6000112P229 I231 S235 L241 F242 K243P229-Y239 HydrophobicContact CG-CD2 4.08Å; I231-Y239 HydrophobicContact CD1-CE2 4.5Å; I231-Y239 HydrophobicContact CG1-CD2 4.39Å; I231-Y239 HydrophobicContact CG1-CE2 3.94Å; S235-Y239 PolarHBondContact O-N 3.27Å; Y239-L241 PolarHBondContact O-N 3.12Å; Y239-F242 PolarHBondContact O-N 3.3Å; Y239-K243 HydrophobicContact CE1-CD 4.44Å; Y239-K243 WeakPolarHBondContact O-CB 3.36Å; Y239-K243 PolarHBondContact O-N 2.78Å
240N87.5Confident84.6Confident98 Ų9874 Ų7452%0.52438%0.38SS..Hα-helixtrans-65.1-39.2178.4-73.3-18.5000112.3K236 V237 R238 K243 A244K236-N240 VanDerWaalsContact O-CB 3.32Å; K236-N240 WeakPolarHBondContact O-CB 3.46Å; K236-N240 PolarHBondContact O-N 3.1Å; K236-N240 PolarHBondContact O-ND2 2.98Å; V237-N240 PolarHBondContact O-N 2.73Å; R238-N240 VanDerWaalsContact C-N 3.33Å; R238-N240 PolarHBondContact O-N 2.86Å; N240-K243 PolarHBondContact O-N 3.38Å; N240-A244 WeakPolarHBondContact O-CB 3.46Å; N240-A244 PolarHBondContact O-N 3.34Å
241L88.1Confident85.7Confident41 Ų4171.8 Ų71.822%0.21537%0.374CS..Hα-helixtrans-65.2-47.6175.7-178.163.9000111.2V237 R238 Y239 K243 A244 V245 E325V237-L241 PolarHBondContact O-N 3.46Å; R238-L241 PolarHBondContact O-N 3.14Å; Y239-L241 PolarHBondContact O-N 3.12Å; L241-K243 VanDerWaalsContact C-N 3.31Å; L241-K243 PolarHBondContact O-N 3.36Å; L241-A244 WeakPolarHBondContact O-CB 3.45Å; L241-A244 PolarHBondContact O-N 3.31Å; L241-A244 VanDerWaalsContact O-N 3.12Å; L241-V245 WeakPolarHBondContact O-CG2 3.45Å; L241-V245 PolarHBondContact O-N 3.46Å; L241-E325 HydrophobicContact CD2-CB 3.58Å; L241-E325 HydrophobicContact CD2-CG 3.64Å
242F89.8Confident87.1Confident6 Ų666.6 Ų66.63%0.02635%0.349CS..Hα-helixtrans-55.1-48.2174.6174.3-87.5000111.3L224 H227 K228 P229 R238 Y239 A244 V245 E246 I326L224-F242 HydrophobicContact CB-CE2 4.43Å; L224-F242 HydrophobicContact CB-CZ 4.42Å; L224-F242 HydrophobicContact CD2-CE2 4.37Å; L224-F242 WeakPolarHBondContact O-CE2 3.22Å; L224-F242 WeakPolarHBondContact O-CZ 3.36Å; H227-F242 HydrophobicContact CB-CE2 4.08Å; K228-F242 HydrophobicContact CB-CE1 4.28Å; K228-F242 HydrophobicContact CB-CZ 4.07Å; K228-F242 HydrophobicContact CG-CE1 4.22Å; P229-F242 HydrophobicContact CG-CG 4.41Å; R238-F242 PolarHBondContact O-N 3.29Å; Y239-F242 PolarHBondContact O-N 3.3Å; F242-A244 VanDerWaalsContact C-N 3.3Å; F242-A244 PolarHBondContact O-N 2.92Å; F242-V245 PolarHBondContact O-N 2.93Å; F242-V245 VanDerWaalsContact O-N 3.16Å; F242-E246 HydrophobicContact CE1-CB 4.48Å; F242-E246 PolarHBondContact O-N 3.46Å; F242-I326 HydrophobicContact CD2-CG1 4.35Å; F242-I326 HydrophobicContact CD2-CG2 4.37Å
243K91Very high88.4Confident100 Ų10061.4 Ų61.444%0.43532%0.315SS..Hα-helixtrans-61-38.7177.8-173.1179.2178.8-1770111.9Y239 N240 L241 E246 I247Y239-K243 HydrophobicContact CE1-CD 4.44Å; Y239-K243 WeakPolarHBondContact O-CB 3.36Å; Y239-K243 PolarHBondContact O-N 2.78Å; N240-K243 PolarHBondContact O-N 3.38Å; L241-K243 VanDerWaalsContact C-N 3.31Å; L241-K243 PolarHBondContact O-N 3.36Å; K243-E246 PolarHBondContact O-N 3.49Å; K243-I247 HydrophobicContact CG-CD1 3.96Å; K243-I247 HydrophobicContact CG-CG1 4.5Å; K243-I247 WeakPolarHBondContact O-CB 3.2Å; K243-I247 VanDerWaalsContact O-CG1 3.23Å; K243-I247 WeakPolarHBondContact O-CG1 3.36Å; K243-I247 PolarHBondContact O-N 2.94Å
244A92.5Very high90.1Very high40 Ų4058.1 Ų58.133%0.33130%0.303SS..Hα-helixtrans-63.6-41.3175.700000111.9N240 L241 F242 I247 F248N240-A244 WeakPolarHBondContact O-CB 3.46Å; N240-A244 PolarHBondContact O-N 3.34Å; L241-A244 WeakPolarHBondContact O-CB 3.45Å; L241-A244 PolarHBondContact O-N 3.31Å; L241-A244 VanDerWaalsContact O-N 3.12Å; F242-A244 VanDerWaalsContact C-N 3.3Å; F242-A244 PolarHBondContact O-N 2.92Å; A244-I247 PolarHBondContact O-N 3.41Å; A244-F248 WeakPolarHBondContact O-CB 3.34Å; A244-F248 PolarHBondContact O-N 3.18Å
245V93Very high91.5Very high0 Ų060.3 Ų60.30%032%0.316CS..Hα-helixtrans-63.8-45174.41790000111.4L224 L241 F242 I247 F248 V249 F318 I319 S322 I326L224-V245 HydrophobicContact CD1-CG1 3.94Å; L224-V245 HydrophobicContact CD2-CG1 3.81Å; L241-V245 WeakPolarHBondContact O-CG2 3.45Å; L241-V245 PolarHBondContact O-N 3.46Å; F242-V245 PolarHBondContact O-N 2.93Å; F242-V245 VanDerWaalsContact O-N 3.16Å; V245-I247 PolarHBondContact O-N 3.36Å; V245-F248 PolarHBondContact O-N 3.43Å; V245-V249 HydrophobicContact CG1-CG2 4.42Å; V245-V249 WeakPolarHBondContact O-CG2 3.41Å; V245-V249 PolarHBondContact O-N 3.29Å; V245-F318 HydrophobicContact CB-CD1 4.35Å; V245-F318 HydrophobicContact CB-CE1 4.19Å; V245-F318 HydrophobicContact CG1-CD1 4.46Å; V245-F318 HydrophobicContact CG2-CD1 3.85Å; V245-F318 HydrophobicContact CG2-CE1 3.64Å; V245-F318 HydrophobicContact CG2-CZ 4.36Å; V245-I319 HydrophobicContact CG1-CG1 4.25Å; V245-S322 VanDerWaalsContact CG2-OG 3.3Å; V245-S322 WeakPolarHBondContact CG2-OG 3.39Å; V245-I326 HydrophobicContact CG1-CD1 4.26Å; V245-I326 HydrophobicContact CG2-CD1 4.36Å
246E93.4Very high92.4Very high51 Ų5157.2 Ų57.224%0.23829%0.294CS..Hα-helixtrans-61.1-43.9177.1-174.2177.7-160.400112.2F242 K243 T250F242-E246 HydrophobicContact CE1-CB 4.48Å; F242-E246 PolarHBondContact O-N 3.46Å; K243-E246 PolarHBondContact O-N 3.49Å; E246-T250 VanDerWaalsContact O-CB 3.31Å; E246-T250 WeakPolarHBondContact O-CB 3.4Å; E246-T250 PolarHBondContact O-N 3.35Å; E246-T250 PolarHBondContact O-OG1 3.18Å
247I95.1Very high93Very high103 Ų10352.4 Ų52.453%0.52828%0.276SS..Hα-helixtrans-62.4-46.3175.7-70.3166.4000110.4K243 A244 V245 T250 A251K243-I247 HydrophobicContact CG-CD1 3.96Å; K243-I247 HydrophobicContact CG-CG1 4.5Å; K243-I247 WeakPolarHBondContact O-CB 3.2Å; K243-I247 VanDerWaalsContact O-CG1 3.23Å; K243-I247 WeakPolarHBondContact O-CG1 3.36Å; K243-I247 PolarHBondContact O-N 2.94Å; A244-I247 PolarHBondContact O-N 3.41Å; V245-I247 PolarHBondContact O-N 3.36Å; I247-T250 PolarHBondContact O-N 3.18Å; I247-A251 WeakPolarHBondContact O-CB 3.21Å; I247-A251 PolarHBondContact O-N 3.41Å
248F95.7Very high93.6Very high68 Ų6850.7 Ų50.730%0.29826%0.26SS..Hα-helixtrans-61.1-48.6-179.3-178.8-98.4000112.1A244 V245 T250 A251 A252 L314 T315 F318A244-F248 WeakPolarHBondContact O-CB 3.34Å; A244-F248 PolarHBondContact O-N 3.18Å; V245-F248 PolarHBondContact O-N 3.43Å; F248-T250 VanDerWaalsContact C-N 3.3Å; F248-T250 PolarHBondContact O-N 3.02Å; F248-A251 PolarHBondContact O-N 2.86Å; F248-A252 WeakPolarHBondContact O-CB 3.19Å; F248-A252 PolarHBondContact O-N 3.28Å; F248-L314 HydrophobicContact CE1-CB 4.35Å; F248-L314 HydrophobicContact CZ-CB 3.79Å; F248-T315 WeakPolarHBondContact CE1-OG1 2.92Å; F248-F318 HydrophobicContact CB-CD1 4Å; F248-F318 HydrophobicContact CB-CE1 3.87Å; F248-F318 HydrophobicContact CD1-CB 4.43Å; F248-F318 AromaticContact CD1-CD1 3.81Å; F248-F318 HydrophobicContact CD1-CD1 3.81Å; F248-F318 HydrophobicContact CD1-CE1 4.49Å; F248-F318 HydrophobicContact CD1-CG 4.4Å; F248-F318 HydrophobicContact CE1-CB 4.41Å; F248-F318 AromaticContact CG-CD1 3.93Å; F248-F318 HydrophobicContact CG-CD1 3.93Å; F248-F318 HydrophobicContact CG-CE1 4.17Å
249V96.6Very high94.3Very high0 Ų048.9 Ų48.90%026%0.256CS..Hα-helixtrans-65.7-35178.5174.60000111.6F217 T220 K221 L224 V245 Y253 T315 I319F217-V249 HydrophobicContact CD1-CG1 4.17Å; T220-V249 HydrophobicContact CG2-CG1 3.91Å; T220-V249 HydrophobicContact CG2-CG2 4.32Å; K221-V249 HydrophobicContact CG-CG1 3.83Å; L224-V249 HydrophobicContact CD1-CB 3.94Å; L224-V249 HydrophobicContact CD1-CG1 4.25Å; L224-V249 HydrophobicContact CD1-CG2 3.78Å; V245-V249 HydrophobicContact CG1-CG2 4.42Å; V245-V249 WeakPolarHBondContact O-CG2 3.41Å; V245-V249 PolarHBondContact O-N 3.29Å; V249-Y253 WeakPolarHBondContact O-CB 3.37Å; V249-Y253 PolarHBondContact O-N 2.84Å; V249-T315 HydrophobicContact CG2-CG2 3.9Å; V249-I319 HydrophobicContact CG2-CD1 4.44Å
250T96.7Very high94.7Very high40 Ų4048 Ų4825%0.24526%0.26CS..Hα-helixtrans-66.9-46.8176.1-59.90000111.5E246 I247 F248 A252 Y253 D254E246-T250 VanDerWaalsContact O-CB 3.31Å; E246-T250 WeakPolarHBondContact O-CB 3.4Å; E246-T250 PolarHBondContact O-N 3.35Å; E246-T250 PolarHBondContact O-OG1 3.18Å; I247-T250 PolarHBondContact O-N 3.18Å; F248-T250 VanDerWaalsContact C-N 3.3Å; F248-T250 PolarHBondContact O-N 3.02Å; T250-A252 VanDerWaalsContact C-N 3.33Å; T250-A252 PolarHBondContact O-N 3.34Å; T250-Y253 WeakPolarHBondContact O-CB 3.31Å; T250-Y253 PolarHBondContact O-N 3.21Å; T250-D254 VanDerWaalsContact O-CG 3.28Å; T250-D254 PolarHBondContact O-N 3.01Å
251A97.2Very high95Very high44 Ų4450 Ų5036%0.36426%0.26SS..Hα-helixtrans-60.1-43.5175.900000111.7I247 F248 Y253 D254 D255I247-A251 WeakPolarHBondContact O-CB 3.21Å; I247-A251 PolarHBondContact O-N 3.41Å; F248-A251 PolarHBondContact O-N 2.86Å; A251-Y253 VanDerWaalsContact C-N 3.33Å; A251-Y253 PolarHBondContact O-N 3.45Å; A251-D254 PolarHBondContact O-N 3.41Å; A251-D255 PolarHBondContact O-N 2.89Å
252A97.2Very high95.3Very high6 Ų650.8 Ų50.85%0.0526%0.262CS..Hα-helixtrans-60.1-40.9175.500000112.8F217 F248 T250 L256 T311F217-A252 HydrophobicContact CD1-CB 3.84Å; F217-A252 HydrophobicContact CE1-CB 3.55Å; F248-A252 WeakPolarHBondContact O-CB 3.19Å; F248-A252 PolarHBondContact O-N 3.28Å; T250-A252 VanDerWaalsContact C-N 3.33Å; T250-A252 PolarHBondContact O-N 3.34Å; A252-L256 VanDerWaalsContact O-CG 3.22Å; A252-L256 WeakPolarHBondContact O-CG 3.45Å; A252-L256 PolarHBondContact O-N 3.44Å; A252-L256 VanDerWaalsContact O-N 3.15Å; A252-T311 HydrophobicContact CB-CG2 3.76Å
253Y97.7Very high95.6Very high18 Ų1850.5 Ų50.57%0.07126%0.261CS..Hα-helixtrans-62.1-46.1173.6170.9-93.1000111.9V214 F217 N218 K221 V249 T250 A251 D255 L256 M257V214-Y253 HydrophobicContact CG1-CD2 4.48Å; V214-Y253 HydrophobicContact CG1-CE2 3.74Å; F217-Y253 HydrophobicContact CB-CD2 4.08Å; N218-Y253 HydrophobicContact CB-CD2 4.35Å; N218-Y253 HydrophobicContact CB-CE2 3.92Å; K221-Y253 HydrophobicContact CD-CD1 4.28Å; K221-Y253 HydrophobicContact CD-CD2 4.36Å; K221-Y253 HydrophobicContact CD-CG 3.95Å; V249-Y253 WeakPolarHBondContact O-CB 3.37Å; V249-Y253 PolarHBondContact O-N 2.84Å; T250-Y253 WeakPolarHBondContact O-CB 3.31Å; T250-Y253 PolarHBondContact O-N 3.21Å; A251-Y253 VanDerWaalsContact C-N 3.33Å; A251-Y253 PolarHBondContact O-N 3.45Å; Y253-D255 PolarHBondContact O-N 3.47Å; Y253-L256 PolarHBondContact O-N 2.99Å; Y253-M257 HydrophobicContact CD1-CG 4.31Å; Y253-M257 HydrophobicContact CE1-CG 3.86Å; Y253-M257 HydrophobicContact CE2-CG 4.17Å; Y253-M257 WeakPolarHBondContact O-CG 3.44Å; Y253-M257 PolarHBondContact O-N 3.4Å
254D97.4Very high95.8Very high82 Ų8247.7 Ų47.744%0.43926%0.26SS..Hα-helixtrans-64.2-40.5-179-64.7-24.2000111.3T250 A251 L256 M257 E258T250-D254 VanDerWaalsContact O-CG 3.28Å; T250-D254 PolarHBondContact O-N 3.01Å; A251-D254 PolarHBondContact O-N 3.41Å; D254-L256 PolarHBondContact O-N 3.35Å; D254-M257 PolarHBondContact O-N 3.49Å; D254-E258 WeakPolarHBondContact O-CB 3.31Å; D254-E258 PolarHBondContact O-N 3.07Å
255D96.9Very high95.9Very high95 Ų9547.7 Ų47.751%0.50826%0.256SS..Hα-helixtrans-62-41.3175.3-74-19.8000112.2A251 Y253 E258 C259A251-D255 PolarHBondContact O-N 2.89Å; Y253-D255 PolarHBondContact O-N 3.47Å; D255-E258 PolarHBondContact O-N 3.26Å; D255-C259 PolarHBondContact O-N 2.89Å; D255-C259 PolarHBondContact O-SG 2.97Å
256L97.8Very high96.1Very high0 Ų047.8 Ų47.80%026%0.257CS..Hα-helixtrans-66.6-40.9176.2-69.5169.1000111.8L210 A213 V214 F217 A252 Y253 D254 C259 S260 V308 T311L210-L256 HydrophobicContact CD2-CD2 4.04Å; A213-L256 HydrophobicContact CB-CD1 3.79Å; A213-L256 HydrophobicContact CB-CD2 4.08Å; V214-L256 HydrophobicContact CG2-CB 3.99Å; F217-L256 HydrophobicContact CB-CD1 4.37Å; F217-L256 HydrophobicContact CD1-CD1 4.38Å; F217-L256 HydrophobicContact CD2-CD1 3.71Å; F217-L256 HydrophobicContact CE2-CD1 4.12Å; F217-L256 HydrophobicContact CG-CD1 3.87Å; A252-L256 VanDerWaalsContact O-CG 3.22Å; A252-L256 WeakPolarHBondContact O-CG 3.45Å; A252-L256 PolarHBondContact O-N 3.44Å; A252-L256 VanDerWaalsContact O-N 3.15Å; Y253-L256 PolarHBondContact O-N 2.99Å; D254-L256 PolarHBondContact O-N 3.35Å; L256-C259 WeakPolarHBondContact O-CB 3.41Å; L256-C259 PolarHBondContact O-N 3.03Å; L256-S260 PolarHBondContact O-N 3.06Å; L256-S260 VanDerWaalsContact O-N 3.08Å; L256-V308 HydrophobicContact CD2-CB 4.42Å; L256-V308 HydrophobicContact CD2-CG2 3.77Å; L256-T311 HydrophobicContact CD1-CG2 3.86Å; L256-T311 HydrophobicContact CD2-CG2 4.46Å; L256-T311 HydrophobicContact CG-CG2 4.23Å
257M96.9Very high96.2Very high78 Ų7848 Ų4838%0.38426%0.255SS..Hα-helixtrans-62.9-42.8174.9-78.5-65.8-72.700111.6V214 Y253 D254 S260 R261V214-M257 HydrophobicContact CB-SD 4.32Å; V214-M257 HydrophobicContact CG1-CG 4.28Å; V214-M257 HydrophobicContact CG1-SD 3.48Å; V214-M257 WeakPolarHBondContact CG1-SD 3.19Å; V214-M257 HydrophobicContact CG2-CG 4.15Å; V214-M257 HydrophobicContact CG2-SD 3.79Å; Y253-M257 HydrophobicContact CD1-CG 4.31Å; Y253-M257 HydrophobicContact CE1-CG 3.86Å; Y253-M257 HydrophobicContact CE2-CG 4.17Å; Y253-M257 WeakPolarHBondContact O-CG 3.44Å; Y253-M257 PolarHBondContact O-N 3.4Å; D254-M257 PolarHBondContact O-N 3.49Å; M257-S260 WeakPolarHBondContact O-CB 3.39Å; M257-S260 PolarHBondContact O-N 3.21Å; M257-R261 PolarHBondContact O-N 3.26Å
258E96.4Very high96.3Very high74 Ų7447.9 Ų47.935%0.34626%0.255SS..Hα-helixtrans-64.1-41.5175.9177.656.5-16400111.5D254 D255 S260 R261 Q262D254-E258 WeakPolarHBondContact O-CB 3.31Å; D254-E258 PolarHBondContact O-N 3.07Å; D255-E258 PolarHBondContact O-N 3.26Å; E258-S260 VanDerWaalsContact C-N 3.28Å; E258-S260 PolarHBondContact O-N 2.94Å; E258-R261 VanDerWaalsContact CD-NH2 3.28Å; E258-R261 PolarHBondContact O-N 3Å; E258-R261 IonicContact OE1-CZ 3.55Å; E258-R261 IonicContact OE1-NE 3.47Å; E258-R261 IonicContact OE1-NH2 2.82Å; E258-R261 PolarHBondContact OE1-NH2 2.89Å; E258-R261 IonicContact OE2-CZ 3.51Å; E258-R261 IonicContact OE2-NE 3.74Å; E258-R261 PolarHBondContact OE2-NE 3.19Å; E258-R261 IonicContact OE2-NH2 3.39Å; E258-R261 PolarHBondContact OE2-NH2 2.89Å; E258-Q262 HydrophobicContact CG-CG 4.43Å; E258-Q262 VanDerWaalsContact O-CG 3.25Å; E258-Q262 WeakPolarHBondContact O-CG 3.45Å; E258-Q262 PolarHBondContact O-N 3.34Å; E258-Q262 WeakPolarHBondContact OE1-CG 3.42Å; E258-Q262 PolarHBondContact OE1-NE2 3.46Å
259C96.3Very high96.3Very high17 Ų1748.3 Ų48.312%0.11526%0.258CS..Hα-helixtrans-56.1-42.8172.8-72.50000112L210 D255 L256 Q262 R304L210-C259 HydrophobicContact CD1-CB 4.16Å; L210-C259 HydrophobicContact CD2-CB 3.73Å; D255-C259 PolarHBondContact O-N 2.89Å; D255-C259 PolarHBondContact O-SG 2.97Å; L256-C259 WeakPolarHBondContact O-CB 3.41Å; L256-C259 PolarHBondContact O-N 3.03Å; C259-Q262 PolarHBondContact O-N 3.39Å; C259-R304 HydrophobicContact CB-CG 4.28Å
260S95.3Very high96.2Very high48 Ų4848.6 Ų48.634%0.33626%0.259SS..Hα-helixtrans-63.5-43.9177-174.50000112L256 M257 E258 Q262 I263L256-S260 PolarHBondContact O-N 3.06Å; L256-S260 VanDerWaalsContact O-N 3.08Å; M257-S260 WeakPolarHBondContact O-CB 3.39Å; M257-S260 PolarHBondContact O-N 3.21Å; E258-S260 VanDerWaalsContact C-N 3.28Å; E258-S260 PolarHBondContact O-N 2.94Å; S260-Q262 VanDerWaalsContact C-N 3.33Å; S260-Q262 PolarHBondContact O-N 3.41Å; S260-I263 PolarHBondContact O-N 3.06Å
261R94Very high96.1Very high140 Ų14049.3 Ų49.353%0.52827%0.269SS..Hα-helixtrans-62.7-39.2178.7-166.7-174.367.475-0.2112.3M257 E258 I263 G264M257-R261 PolarHBondContact O-N 3.26Å; E258-R261 VanDerWaalsContact CD-NH2 3.28Å; E258-R261 PolarHBondContact O-N 3Å; E258-R261 IonicContact OE1-CZ 3.55Å; E258-R261 IonicContact OE1-NE 3.47Å; E258-R261 IonicContact OE1-NH2 2.82Å; E258-R261 PolarHBondContact OE1-NH2 2.89Å; E258-R261 IonicContact OE2-CZ 3.51Å; E258-R261 IonicContact OE2-NE 3.74Å; E258-R261 PolarHBondContact OE2-NE 3.19Å; E258-R261 IonicContact OE2-NH2 3.39Å; E258-R261 PolarHBondContact OE2-NH2 2.89Å; R261-I263 PolarHBondContact O-N 3.4Å; R261-G264 PolarHBondContact O-N 3.23Å
262Q94.9Very high96Very high56 Ų5653.1 Ų53.126%0.26228%0.278SS..Hα-helixtrans-68-19.9-175.6-71.9-72.7-12.400113.9E258 C259 S260 G264 V265E258-Q262 HydrophobicContact CG-CG 4.43Å; E258-Q262 VanDerWaalsContact O-CG 3.25Å; E258-Q262 WeakPolarHBondContact O-CG 3.45Å; E258-Q262 PolarHBondContact O-N 3.34Å; E258-Q262 WeakPolarHBondContact OE1-CG 3.42Å; E258-Q262 PolarHBondContact OE1-NE2 3.46Å; C259-Q262 PolarHBondContact O-N 3.39Å; S260-Q262 VanDerWaalsContact C-N 3.33Å; S260-Q262 PolarHBondContact O-N 3.41Å; Q262-G264 PolarHBondContact O-N 3.29Å; Q262-V265 WeakPolarHBondContact O-CB 3.25Å; Q262-V265 PolarHBondContact O-N 3.32Å; Q262-V265 VanDerWaalsContact O-N 3.12Å
263I95.6Very high95.8Very high1 Ų153.5 Ų53.51%0.00528%0.279CS..Hα-helixtrans-58.9-37.6172.6-64.1176.4000111.2H203 L206 R207 L210 S260 R261 V265 Y267H203-I263 HydrophobicContact CB-CG2 4.13Å; L206-I263 HydrophobicContact CD2-CD1 3.95Å; L206-I263 HydrophobicContact CD2-CG1 4.23Å; L206-I263 HydrophobicContact CG-CD1 4.14Å; R207-I263 HydrophobicContact CG-CD1 3.65Å; L210-I263 HydrophobicContact CD1-CD1 3.93Å; S260-I263 PolarHBondContact O-N 3.06Å; R261-I263 PolarHBondContact O-N 3.4Å; I263-V265 VanDerWaalsContact C-N 3.31Å; I263-V265 PolarHBondContact O-N 2.9Å; I263-Y267 HydrophobicContact CG2-CE2 4.09Å; I263-Y267 VanDerWaalsContact O-CD2 3.28Å; I263-Y267 WeakPolarHBondContact O-CD2 3.39Å
264G94.8Very high95.5Very high41 Ų4153.9 Ų53.942%0.42328%0.282SS..Hα-helixtrans-68.7-29178.500000113.5R261 Q262 Y266 Y267 L268R261-G264 PolarHBondContact O-N 3.23Å; Q262-G264 PolarHBondContact O-N 3.29Å; G264-Y266 PolarHBondContact O-N 2.77Å; G264-Y267 PolarHBondContact O-N 3.4Å; G264-L268 PolarHBondContact O-N 2.69Å
265V96.1Very high95.1Very high39 Ų3952.9 Ų52.924%0.23628%0.28CS..Hα-helixtrans-65.7-40.5-177178.20000110.9Q262 I263 Y267 L268 E269Q262-V265 WeakPolarHBondContact O-CB 3.25Å; Q262-V265 PolarHBondContact O-N 3.32Å; Q262-V265 VanDerWaalsContact O-N 3.12Å; I263-V265 VanDerWaalsContact C-N 3.31Å; I263-V265 PolarHBondContact O-N 2.9Å; V265-Y267 PolarHBondContact O-N 3.01Å; V265-L268 WeakPolarHBondContact O-CB 3.39Å; V265-L268 PolarHBondContact O-N 2.89Å; V265-E269 HydrophobicContact CG1-CG 4.23Å; V265-E269 WeakPolarHBondContact O-CG 3.5Å; V265-E269 PolarHBondContact O-N 2.86Å
266Y96Very high94.8Very high3 Ų352.5 Ų52.51%0.01228%0.276CS..Hα-helixtrans-53.3-51.2175.5165.2-103.7000112.6I199 H203 G264 L268 E269 R270 L293 D294 E297I199-Y266 HydrophobicContact CB-CE1 4.37Å; I199-Y266 HydrophobicContact CG2-CD1 4.13Å; I199-Y266 HydrophobicContact CG2-CE1 3.49Å; I199-Y266 VanDerWaalsContact CG2-CE1 3.49Å; I199-Y266 HydrophobicContact CG2-CE2 4.35Å; H203-Y266 AromaticContact CE1-CD1 3.47Å; H203-Y266 VanDerWaalsContact CE1-CD1 3.47Å; H203-Y266 WeakPolarHBondContact CE1-CD1 3.45Å; H203-Y266 AromaticContact CE1-CG 3.98Å; G264-Y266 PolarHBondContact O-N 2.77Å; Y266-L268 VanDerWaalsContact C-N 3.28Å; Y266-L268 PolarHBondContact O-N 2.9Å; Y266-E269 PolarHBondContact O-N 3.14Å; Y266-R270 VanDerWaalsContact O-CB 3.27Å; Y266-R270 WeakPolarHBondContact O-CB 3.35Å; Y266-R270 PolarHBondContact O-N 2.64Å; Y266-R270 VanDerWaalsContact OH-CD 3.28Å; Y266-R270 WeakPolarHBondContact OH-CD 3.47Å; Y266-L293 HydrophobicContact CD2-CD2 4.33Å; Y266-L293 HydrophobicContact CD2-CG 4.16Å; Y266-L293 HydrophobicContact CE2-CD2 4.27Å; Y266-L293 HydrophobicContact CE2-CG 4.1Å; Y266-D294 WeakPolarHBondContact CE2-OD1 3.46Å; Y266-D294 PolarHBondContact OH-OD1 2.96Å; Y266-E297 HydrophobicContact CD1-CG 4.24Å; Y266-E297 HydrophobicContact CD2-CB 3.47Å; Y266-E297 VanDerWaalsContact CD2-CB 3.47Å; Y266-E297 HydrophobicContact CD2-CG 3.44Å; Y266-E297 VanDerWaalsContact CD2-CG 3.44Å; Y266-E297 HydrophobicContact CE2-CB 3.63Å; Y266-E297 HydrophobicContact CE2-CG 3.9Å; Y266-E297 HydrophobicContact CG-CB 4.19Å; Y266-E297 HydrophobicContact CG-CG 3.61Å
267Y96.2Very high94.3Very high55 Ų5552.6 Ų52.622%0.21628%0.277CS..Hα-helixtrans-63.5-36.3-178-66.6-74.3000112H203 I263 G264 V265 A271H203-Y267 AromaticContact CE1-CE2 3.97Å; H203-Y267 AromaticContact ND1-CE2 3.53Å; H203-Y267 AromaticContact ND1-CZ 3.42Å; H203-Y267 PolarHBondContact ND1-OH 3.23Å; I263-Y267 HydrophobicContact CG2-CE2 4.09Å; I263-Y267 VanDerWaalsContact O-CD2 3.28Å; I263-Y267 WeakPolarHBondContact O-CD2 3.39Å; G264-Y267 PolarHBondContact O-N 3.4Å; V265-Y267 PolarHBondContact O-N 3.01Å; Y267-A271 VanDerWaalsContact O-CB 3.27Å; Y267-A271 WeakPolarHBondContact O-CB 3.31Å; Y267-A271 PolarHBondContact O-N 3.5Å
268L96.2Very high93.6Very high100 Ų10050.5 Ų50.552%0.52427%0.269SS..Hα-helixtrans-66.6-46.5175.7-179.464000111.8G264 V265 Y266 A271 K272G264-L268 PolarHBondContact O-N 2.69Å; V265-L268 WeakPolarHBondContact O-CB 3.39Å; V265-L268 PolarHBondContact O-N 2.89Å; Y266-L268 VanDerWaalsContact C-N 3.28Å; Y266-L268 PolarHBondContact O-N 2.9Å; L268-A271 PolarHBondContact O-N 2.7Å; L268-K272 WeakPolarHBondContact O-CG 3.49Å; L268-K272 PolarHBondContact O-N 2.94Å; L268-K272 VanDerWaalsContact O-N 3.13Å
269E96.6Very high93.1Very high77 Ų7754.3 Ų54.336%0.3628%0.284SS..Hα-helixtrans-63.3-43.7177-71-172.4167.400111.5V265 Y266 A271 K272 I273 L293V265-E269 HydrophobicContact CG1-CG 4.23Å; V265-E269 WeakPolarHBondContact O-CG 3.5Å; V265-E269 PolarHBondContact O-N 2.86Å; Y266-E269 PolarHBondContact O-N 3.14Å; E269-A271 PolarHBondContact O-N 3.14Å; E269-K272 WeakPolarHBondContact O-CB 3.4Å; E269-K272 PolarHBondContact O-N 2.92Å; E269-I273 PolarHBondContact O-N 3.44Å; E269-I273 VanDerWaalsContact O-N 3.12Å; E269-L293 HydrophobicContact CB-CD1 4.3Å; E269-L293 HydrophobicContact CB-CD2 4.08Å; E269-L293 WeakPolarHBondContact OE2-CD1 3.4Å
270R94.6Very high92.7Very high7 Ų759.1 Ų59.13%0.02631%0.305CS..Hα-helixtrans-61-45.5177.2-169.8172.8-176.4-80.9-2.6111.8E194 N195 Y266 K272 I273 I274 L290 L293 D294E194-R270 PolarHBondContact O-NH1 3.24Å; E194-R270 VanDerWaalsContact O-NH1 3.08Å; E194-R270 PolarHBondContact O-NH2 3.34Å; N195-R270 PolarHBondContact OD1-NH1 3.19Å; Y266-R270 VanDerWaalsContact O-CB 3.27Å; Y266-R270 WeakPolarHBondContact O-CB 3.35Å; Y266-R270 PolarHBondContact O-N 2.64Å; Y266-R270 VanDerWaalsContact OH-CD 3.28Å; Y266-R270 WeakPolarHBondContact OH-CD 3.47Å; R270-K272 VanDerWaalsContact C-N 3.3Å; R270-K272 PolarHBondContact O-N 3.37Å; R270-I273 PolarHBondContact O-N 3.28Å; R270-I274 HydrophobicContact CG-CD1 4.11Å; R270-I274 WeakPolarHBondContact O-CG1 3.01Å; R270-I274 PolarHBondContact O-N 3.37Å; R270-L290 HydrophobicContact CG-CD1 3.63Å; R270-L293 HydrophobicContact CB-CD2 3.73Å; R270-L293 HydrophobicContact CG-CD2 4.32Å; R270-D294 IonicContact NE-OD1 3.49Å; R270-D294 PolarHBondContact NE-OD1 2.67Å
271A93.6Very high92Very high55 Ų5558 Ų5846%0.45530%0.297SS..Hα-helixtrans-60.5-37.9176.600000112.4Y267 L268 E269 I274 C275Y267-A271 VanDerWaalsContact O-CB 3.27Å; Y267-A271 WeakPolarHBondContact O-CB 3.31Å; Y267-A271 PolarHBondContact O-N 3.5Å; L268-A271 PolarHBondContact O-N 2.7Å; E269-A271 PolarHBondContact O-N 3.14Å; A271-I274 PolarHBondContact O-N 3.46Å; A271-C275 WeakPolarHBondContact O-CB 3.25Å; A271-C275 PolarHBondContact O-N 3.08Å
272K96.1Very high91.5Very high123 Ų12359.1 Ų59.154%0.53531%0.312SS..Hα-helixtrans-62.6-45.1174.7-70.9171.1-177.1175.80111.7L268 E269 R270 C275 M276L268-K272 WeakPolarHBondContact O-CG 3.49Å; L268-K272 PolarHBondContact O-N 2.94Å; L268-K272 VanDerWaalsContact O-N 3.13Å; E269-K272 WeakPolarHBondContact O-CB 3.4Å; E269-K272 PolarHBondContact O-N 2.92Å; R270-K272 VanDerWaalsContact C-N 3.3Å; R270-K272 PolarHBondContact O-N 3.37Å; K272-C275 PolarHBondContact O-N 3.31Å; K272-M276 WeakPolarHBondContact O-CG 3.31Å; K272-M276 PolarHBondContact O-N 3.19Å; K272-M276 VanDerWaalsContact O-N 3.08Å
273I93.1Very high91.2Very high14 Ų1457.9 Ų57.97%0.07231%0.31CS..Hα-helixtrans-63.9-43.8177.5-60.9167.8000110.8E269 R270 C275 M276 L277 T289 L290 L293E269-I273 PolarHBondContact O-N 3.44Å; E269-I273 VanDerWaalsContact O-N 3.12Å; R270-I273 PolarHBondContact O-N 3.28Å; I273-C275 VanDerWaalsContact C-N 3.34Å; I273-C275 PolarHBondContact O-N 3.2Å; I273-M276 HydrophobicContact CB-CE 4.43Å; I273-M276 HydrophobicContact CG1-CE 4.18Å; I273-M276 WeakPolarHBondContact O-CB 3.48Å; I273-M276 PolarHBondContact O-N 2.96Å; I273-M276 VanDerWaalsContact O-N 3.1Å; I273-L277 HydrophobicContact CG2-CD1 4.17Å; I273-L277 PolarHBondContact O-N 3.05Å; I273-T289 HydrophobicContact CD1-CG2 3.84Å; I273-T289 HydrophobicContact CG1-CG2 4.42Å; I273-L290 HydrophobicContact CG2-CB 3.88Å; I273-L290 HydrophobicContact CG2-CD1 4.38Å; I273-L293 HydrophobicContact CD1-CB 4.14Å; I273-L293 HydrophobicContact CD1-CD2 3.67Å; I273-L293 HydrophobicContact CD1-CG 4.43Å
274I90.1Very high91Very high27 Ų2767.5 Ų67.514%0.13835%0.346CS..Hα-helixtrans-59.1-44.5175.6-75.6171.7000111.3I193 R270 A271 M276 L277 T278 L290I193-I274 HydrophobicContact CB-CD1 4.3Å; I193-I274 HydrophobicContact CB-CG2 4.24Å; I193-I274 HydrophobicContact CD1-CG2 4.06Å; I193-I274 HydrophobicContact CG1-CG2 4.38Å; I193-I274 HydrophobicContact CG2-CD1 3.76Å; I193-I274 HydrophobicContact CG2-CG1 4.1Å; R270-I274 HydrophobicContact CG-CD1 4.11Å; R270-I274 WeakPolarHBondContact O-CG1 3.01Å; R270-I274 PolarHBondContact O-N 3.37Å; A271-I274 PolarHBondContact O-N 3.46Å; I274-M276 VanDerWaalsContact C-N 3.26Å; I274-M276 PolarHBondContact O-N 3.12Å; I274-L277 WeakPolarHBondContact O-CB 3.48Å; I274-L277 PolarHBondContact O-N 2.66Å; I274-L277 VanDerWaalsContact O-N 3.08Å; I274-T278 WeakPolarHBondContact O-CG2 3.02Å; I274-T278 PolarHBondContact O-N 3.44Å; I274-L290 HydrophobicContact CG1-CD2 4.22Å
275C90Very high91Very high60 Ų6070.7 Ų70.741%0.40535%0.353SS..Hα-helixtrans-61.9-32.2175.8-1770000112.8A271 K272 I273 T278 K279A271-C275 WeakPolarHBondContact O-CB 3.25Å; A271-C275 PolarHBondContact O-N 3.08Å; K272-C275 PolarHBondContact O-N 3.31Å; I273-C275 VanDerWaalsContact C-N 3.34Å; I273-C275 PolarHBondContact O-N 3.2Å; C275-T278 PolarHBondContact O-OG1 2.99Å; C275-K279 WeakPolarHBondContact O-CG 3.26Å
276M91.5Very high90.8Very high87 Ų8769.8 Ų69.843%0.42935%0.347SS..Hα-helixtrans-72.8-38.9171.7-66.5-174.6-69.500111.7K272 I273 I274 T278 K279 Q280 L286K272-M276 WeakPolarHBondContact O-CG 3.31Å; K272-M276 PolarHBondContact O-N 3.19Å; K272-M276 VanDerWaalsContact O-N 3.08Å; I273-M276 HydrophobicContact CB-CE 4.43Å; I273-M276 HydrophobicContact CG1-CE 4.18Å; I273-M276 WeakPolarHBondContact O-CB 3.48Å; I273-M276 PolarHBondContact O-N 2.96Å; I273-M276 VanDerWaalsContact O-N 3.1Å; I274-M276 VanDerWaalsContact C-N 3.26Å; I274-M276 PolarHBondContact O-N 3.12Å; M276-T278 PolarHBondContact O-N 3.28Å; M276-K279 PolarHBondContact O-N 2.7Å; M276-Q280 PolarHBondContact O-N 2.94Å; M276-L286 HydrophobicContact CB-CD1 3.75Å; M276-L286 HydrophobicContact CB-CD2 3.96Å; M276-L286 HydrophobicContact CE-CD2 3.99Å; M276-L286 HydrophobicContact SD-CD2 4.3Å
277L86.4Confident90.4Very high3 Ų372 Ų722%0.01636%0.355CS..Hα-helixtrans-63.3-37.4176.8-80.1167.8000112.7I273 I274 K279 Q280 P281 L286 W287 L290I273-L277 HydrophobicContact CG2-CD1 4.17Å; I273-L277 PolarHBondContact O-N 3.05Å; I274-L277 WeakPolarHBondContact O-CB 3.48Å; I274-L277 PolarHBondContact O-N 2.66Å; I274-L277 VanDerWaalsContact O-N 3.08Å; L277-K279 PolarHBondContact O-N 2.76Å; L277-Q280 CarbonylContact O-C 3.19Å; L277-Q280 PolarHBondContact O-N 3.49Å; L277-P281 WeakPolarHBondContact O-CA 3.39Å; L277-L286 HydrophobicContact CD2-CB 3.36Å; L277-L286 HydrophobicContact CD2-CD1 4.24Å; L277-L286 HydrophobicContact CD2-CG 4.46Å; L277-L286 HydrophobicContact CG-CB 3.78Å; L277-L286 HydrophobicContact CG-CD1 4.37Å; L277-W287 HydrophobicContact CD1-CD2 4.39Å; L277-W287 HydrophobicContact CD1-CE3 4.38Å; L277-W287 HydrophobicContact CD2-CD2 3.88Å; L277-W287 HydrophobicContact CD2-CG 3.86Å; L277-W287 HydrophobicContact CD2-CZ2 4.44Å; L277-L290 HydrophobicContact CD1-CB 4.37Å; L277-L290 HydrophobicContact CD1-CD2 3.6Å
278T82.1Confident90.2Very high34 Ų3476 Ų7621%0.20937%0.374CS..Hα-helixtrans-65.1-31.2175.758.50000112.2Y189 I274 C275 M276Y189-T278 HydrophobicContact CD1-CG2 3.6Å; Y189-T278 HydrophobicContact CD2-CG2 4.36Å; Y189-T278 HydrophobicContact CE1-CG2 4.34Å; Y189-T278 HydrophobicContact CG-CG2 3.64Å; I274-T278 WeakPolarHBondContact O-CG2 3.02Å; I274-T278 PolarHBondContact O-N 3.44Å; C275-T278 PolarHBondContact O-OG1 2.99Å; M276-T278 PolarHBondContact O-N 3.28Å
279K86Confident90.1Very high153 Ų15374.2 Ų74.267%0.66537%0.367SS*.Hα-helixtrans-79.3-31.5173.9-62.3175.8-172-178.80112.8C275 M276 L277C275-K279 WeakPolarHBondContact O-CG 3.26Å; M276-K279 PolarHBondContact O-N 2.7Å; L277-K279 PolarHBondContact O-N 2.76Å
280Q87.3Confident89.9Confident118 Ų11870.5 Ų70.555%0.55135%0.35SS*.  trans-134.567.1-174.8-62.5-178.4-0.900111.8M276 L277 L282 S283 L286M276-Q280 PolarHBondContact O-N 2.94Å; L277-Q280 CarbonylContact O-C 3.19Å; L277-Q280 PolarHBondContact O-N 3.49Å; Q280-L282 PolarHBondContact O-N 3.46Å; Q280-L282 VanDerWaalsContact O-N 3.13Å; Q280-S283 WeakPolarHBondContact O-CB 3.49Å; Q280-S283 PolarHBondContact O-N 2.85Å; Q280-L286 HydrophobicContact CB-CD1 4.01Å
281P81.8Confident89.6Confident25 Ų2572 Ų7216%0.16236%0.357CS..THydrogen-bonded Turntrans-64.5-24.2-171.423.6-34.9000114.1C118 F121 L277 S283 W287C118-P281 HydrophobicContact CB-CB 3.85Å; C118-P281 WeakPolarHBondContact SG-CB 3.28Å; F121-P281 HydrophobicContact CD2-CG 4.44Å; L277-P281 WeakPolarHBondContact O-CA 3.39Å; P281-S283 VanDerWaalsContact C-N 3.34Å; P281-W287 PolarHBondContact O-NE1 2.88Å
282L83Confident89.6Confident164 Ų16477.4 Ų77.486%0.85937%0.366SS*.THydrogen-bonded Turntrans-84.9-5.5179.4-59.8177.1000113.4Q280 R284Q280-L282 PolarHBondContact O-N 3.46Å; Q280-L282 VanDerWaalsContact O-N 3.13Å; L282-R284 PolarHBondContact O-N 3.26Å
283S88.4Confident89.5Confident29 Ų2972 Ų7220%0.20334%0.342CS..  trans-72.8100.9-178.3-178.60000111.1Q280 P281 D285 L286 W287Q280-S283 WeakPolarHBondContact O-CB 3.49Å; Q280-S283 PolarHBondContact O-N 2.85Å; P281-S283 VanDerWaalsContact C-N 3.34Å; S283-D285 PolarHBondContact O-N 3.45Å; S283-L286 PolarHBondContact O-N 3.27Å; S283-L286 WeakPolarHBondContact OG-CG 3.46Å; S283-L286 PolarHBondContact OG-N 3.4Å; S283-W287 PolarHBondContact O-N 3.29Å
284R91.7Very high89.5Confident203 Ų20371.9 Ų71.977%0.76634%0.342SS*.Hα-helixtrans-59.2-33.2176.8-69.3-175.2176.2-178.3-1.2112.4L282 W287 K288L282-R284 PolarHBondContact O-N 3.26Å; R284-W287 PolarHBondContact O-N 3.08Å; R284-K288 WeakPolarHBondContact O-CG 3.28Å; R284-K288 PolarHBondContact O-N 3.42Å
285D94.5Very high89.5Confident108 Ų10879.1 Ų79.158%0.57837%0.367SS*.Hα-helixtrans-69.4-40.4-179-64.1-28.2000111.3S283 W287 K288 T289S283-D285 PolarHBondContact O-N 3.45Å; D285-W287 VanDerWaalsContact C-N 3.32Å; D285-W287 PolarHBondContact O-N 3.48Å; D285-K288 WeakPolarHBondContact O-CB 3.47Å; D285-K288 PolarHBondContact O-N 3.33Å; D285-K288 VanDerWaalsContact O-N 3.17Å; D285-T289 WeakPolarHBondContact O-CB 3.43Å; D285-T289 PolarHBondContact O-N 3.49Å; D285-T289 PolarHBondContact O-OG1 2.84Å
286L91.5Very high89.7Confident21 Ų2180.5 Ų80.511%0.1137%0.366CS..Hα-helixtrans-62-39.5174.4-70.3178.9000112.3M276 L277 Q280 S283 T289 L290M276-L286 HydrophobicContact CB-CD1 3.75Å; M276-L286 HydrophobicContact CB-CD2 3.96Å; M276-L286 HydrophobicContact CE-CD2 3.99Å; M276-L286 HydrophobicContact SD-CD2 4.3Å; L277-L286 HydrophobicContact CD2-CB 3.36Å; L277-L286 HydrophobicContact CD2-CD1 4.24Å; L277-L286 HydrophobicContact CD2-CG 4.46Å; L277-L286 HydrophobicContact CG-CB 3.78Å; L277-L286 HydrophobicContact CG-CD1 4.37Å; Q280-L286 HydrophobicContact CB-CD1 4.01Å; S283-L286 PolarHBondContact O-N 3.27Å; S283-L286 WeakPolarHBondContact OG-CG 3.46Å; S283-L286 PolarHBondContact OG-N 3.4Å; L286-T289 PolarHBondContact O-N 3.09Å; L286-L290 PolarHBondContact O-N 3.08Å
287W88.9Confident89.8Confident48 Ų4876.9 Ų76.918%0.18235%0.348CS..Hα-helixtrans-63.7-40.6174.3-76.3108.4000112.2M112 I117 L277 P281 S283 R284 D285 K291M112-W287 HydrophobicContact CE-CE3 4.34Å; M112-W287 HydrophobicContact CE-CH2 4.47Å; M112-W287 HydrophobicContact CE-CZ3 3.6Å; M112-W287 HydrophobicContact SD-CE3 4.38Å; M112-W287 HydrophobicContact SD-CZ3 4.11Å; I117-W287 HydrophobicContact CB-CH2 4.49Å; I117-W287 HydrophobicContact CG2-CH2 4.03Å; I117-W287 HydrophobicContact CG2-CZ2 4.4Å; L277-W287 HydrophobicContact CD1-CD2 4.39Å; L277-W287 HydrophobicContact CD1-CE3 4.38Å; L277-W287 HydrophobicContact CD2-CD2 3.88Å; L277-W287 HydrophobicContact CD2-CG 3.86Å; L277-W287 HydrophobicContact CD2-CZ2 4.44Å; P281-W287 PolarHBondContact O-NE1 2.88Å; S283-W287 PolarHBondContact O-N 3.29Å; R284-W287 PolarHBondContact O-N 3.08Å; D285-W287 VanDerWaalsContact C-N 3.32Å; D285-W287 PolarHBondContact O-N 3.48Å; W287-K291 WeakPolarHBondContact O-CG 3.48Å; W287-K291 PolarHBondContact O-N 3.27Å
288K90.9Very high90.1Very high139 Ų13977.8 Ų77.860%0.60435%0.352SS*.Hα-helixtrans-65.8-41.8173.7-72.4178.1-176.1174.90111.8R284 D285 L290 K291 W292R284-K288 WeakPolarHBondContact O-CG 3.28Å; R284-K288 PolarHBondContact O-N 3.42Å; D285-K288 WeakPolarHBondContact O-CB 3.47Å; D285-K288 PolarHBondContact O-N 3.33Å; D285-K288 VanDerWaalsContact O-N 3.17Å; K288-L290 VanDerWaalsContact C-N 3.34Å; K288-L290 PolarHBondContact O-N 2.93Å; K288-K291 WeakPolarHBondContact O-CB 3.34Å; K288-K291 PolarHBondContact O-N 2.58Å; K288-W292 WeakPolarHBondContact O-CB 3.28Å; K288-W292 PolarHBondContact O-N 2.84Å
289T94.3Very high90.6Very high63 Ų6380.8 Ų80.839%0.38737%0.366SS..Hα-helixtrans-62.2-42178.1-56.70000111.1I273 D285 L286 W292 L293I273-T289 HydrophobicContact CD1-CG2 3.84Å; I273-T289 HydrophobicContact CG1-CG2 4.42Å; D285-T289 WeakPolarHBondContact O-CB 3.43Å; D285-T289 PolarHBondContact O-N 3.49Å; D285-T289 PolarHBondContact O-OG1 2.84Å; L286-T289 PolarHBondContact O-N 3.09Å; T289-W292 PolarHBondContact O-N 3.25Å; T289-L293 WeakPolarHBondContact O-CB 3.44Å; T289-L293 PolarHBondContact O-N 3.5Å
290L91.9Very high91.1Very high0 Ų075.4 Ų75.40%035%0.346CS..Hα-helixtrans-60.8-46.5175.8-176.654.3000111.9M112 R270 I273 I274 L277 L286 K288 W292 L293 D294M112-L290 HydrophobicContact CE-CD2 3.3Å; M112-L290 HydrophobicContact CE-CG 4.28Å; M112-L290 HydrophobicContact SD-CD2 3.51Å; M112-L290 VanDerWaalsContact SD-CD2 3.51Å; M112-L290 HydrophobicContact SD-CG 3.89Å; R270-L290 HydrophobicContact CG-CD1 3.63Å; I273-L290 HydrophobicContact CG2-CB 3.88Å; I273-L290 HydrophobicContact CG2-CD1 4.38Å; I274-L290 HydrophobicContact CG1-CD2 4.22Å; L277-L290 HydrophobicContact CD1-CB 4.37Å; L277-L290 HydrophobicContact CD1-CD2 3.6Å; L286-L290 PolarHBondContact O-N 3.08Å; K288-L290 VanDerWaalsContact C-N 3.34Å; K288-L290 PolarHBondContact O-N 2.93Å; L290-W292 VanDerWaalsContact C-N 3.35Å; L290-W292 PolarHBondContact O-N 3.34Å; L290-L293 WeakPolarHBondContact O-CB 3.29Å; L290-L293 PolarHBondContact O-N 2.93Å; L290-D294 PolarHBondContact O-N 3.19Å; L290-D294 VanDerWaalsContact O-N 3.09Å
291K89.5Confident91.4Very high39 Ų3969.8 Ų69.817%0.1732%0.32CS..Hα-helixtrans-61.2-41.8175.3-77.7170.1163.7-175.40112.9M109 N113 W287 K288 D294 R295M109-K291 HydrophobicContact CE-CB 4.02Å; M109-K291 HydrophobicContact CE-CD 3.52Å; M109-K291 HydrophobicContact CE-CG 3.96Å; M109-K291 HydrophobicContact SD-CB 3.56Å; M109-K291 VanDerWaalsContact SD-CB 3.56Å; M109-K291 HydrophobicContact SD-CD 3.81Å; M109-K291 HydrophobicContact SD-CG 3.54Å; M109-K291 VanDerWaalsContact SD-CG 3.54Å; N113-K291 PolarHBondContact OD1-NZ 3.4Å; W287-K291 WeakPolarHBondContact O-CG 3.48Å; W287-K291 PolarHBondContact O-N 3.27Å; K288-K291 WeakPolarHBondContact O-CB 3.34Å; K288-K291 PolarHBondContact O-N 2.58Å; K291-D294 PolarHBondContact O-N 3.39Å; K291-R295 PolarHBondContact O-N 2.86Å; K291-R295 VanDerWaalsContact O-N 3.08Å
292W92.2Very high92Very high168 Ų16870 Ų7064%0.63632%0.319SS*.Hα-helixtrans-67.9-38.2178-17385.4000111.8K288 T289 L290 R295 K296K288-W292 WeakPolarHBondContact O-CB 3.28Å; K288-W292 PolarHBondContact O-N 2.84Å; T289-W292 PolarHBondContact O-N 3.25Å; L290-W292 VanDerWaalsContact C-N 3.35Å; L290-W292 PolarHBondContact O-N 3.34Å; W292-R295 PolarHBondContact O-N 2.86Å; W292-K296 HydrophobicContact CE3-CD 4.47Å; W292-K296 HydrophobicContact CH2-CD 3.83Å; W292-K296 HydrophobicContact CZ3-CD 3.73Å; W292-K296 VanDerWaalsContact O-CB 3.29Å; W292-K296 WeakPolarHBondContact O-CB 3.35Å; W292-K296 PolarHBondContact O-N 3.31Å
293L94.8Very high92.6Very high9 Ų965 Ų655%0.04730%0.299CS..Hα-helixtrans-59.4-48.9173.9-177.970.5000111Y266 E269 R270 I273 T289 L290 R295 K296 E297Y266-L293 HydrophobicContact CD2-CD2 4.33Å; Y266-L293 HydrophobicContact CD2-CG 4.16Å; Y266-L293 HydrophobicContact CE2-CD2 4.27Å; Y266-L293 HydrophobicContact CE2-CG 4.1Å; E269-L293 HydrophobicContact CB-CD1 4.3Å; E269-L293 HydrophobicContact CB-CD2 4.08Å; E269-L293 WeakPolarHBondContact OE2-CD1 3.4Å; R270-L293 HydrophobicContact CB-CD2 3.73Å; R270-L293 HydrophobicContact CG-CD2 4.32Å; I273-L293 HydrophobicContact CD1-CB 4.14Å; I273-L293 HydrophobicContact CD1-CD2 3.67Å; I273-L293 HydrophobicContact CD1-CG 4.43Å; T289-L293 WeakPolarHBondContact O-CB 3.44Å; T289-L293 PolarHBondContact O-N 3.5Å; L290-L293 WeakPolarHBondContact O-CB 3.29Å; L290-L293 PolarHBondContact O-N 2.93Å; L293-R295 PolarHBondContact O-N 3.47Å; L293-K296 PolarHBondContact O-N 3.05Å; L293-E297 PolarHBondContact O-N 3.21Å
294D92.6Very high93.1Very high11 Ų1164.7 Ų64.76%0.05929%0.293CS..Hα-helixtrans-61.3-43.3178.8-73.1-4.8000111.6N196 I199 Y266 R270 L290 K291 E297 F298N196-D294 PolarHBondContact ND2-OD2 3.31Å; I199-D294 WeakPolarHBondContact CD1-O 3.43Å; Y266-D294 WeakPolarHBondContact CE2-OD1 3.46Å; Y266-D294 PolarHBondContact OH-OD1 2.96Å; R270-D294 IonicContact NE-OD1 3.49Å; R270-D294 PolarHBondContact NE-OD1 2.67Å; L290-D294 PolarHBondContact O-N 3.19Å; L290-D294 VanDerWaalsContact O-N 3.09Å; K291-D294 PolarHBondContact O-N 3.39Å; D294-E297 PolarHBondContact O-N 3.33Å; D294-F298 PolarHBondContact O-N 2.94Å
295R90Very high93.3Very high179 Ų17955 Ų5568%0.67526%0.256SS*.Hα-helixtrans-63.6-43.1175.7-177.5176.3178.8166.61.9112.4K291 W292 L293 E297 F298 I299K291-R295 PolarHBondContact O-N 2.86Å; K291-R295 VanDerWaalsContact O-N 3.08Å; W292-R295 PolarHBondContact O-N 2.86Å; L293-R295 PolarHBondContact O-N 3.47Å; R295-E297 VanDerWaalsContact C-N 3.29Å; R295-E297 PolarHBondContact O-N 3.31Å; R295-F298 PolarHBondContact O-N 3.21Å; R295-I299 HydrophobicContact CG-CD1 4.42Å; R295-I299 WeakPolarHBondContact O-CG1 3.27Å; R295-I299 PolarHBondContact O-N 3.49Å
296K94.3Very high93.4Very high89 Ų8953.6 Ų53.639%0.38725%0.246SC..Hα-helixtrans-60.3-43.4176176.8-170.7169-165.10110.1W292 L293 I299 T300W292-K296 HydrophobicContact CE3-CD 4.47Å; W292-K296 HydrophobicContact CH2-CD 3.83Å; W292-K296 HydrophobicContact CZ3-CD 3.73Å; W292-K296 VanDerWaalsContact O-CB 3.29Å; W292-K296 WeakPolarHBondContact O-CB 3.35Å; W292-K296 PolarHBondContact O-N 3.31Å; L293-K296 PolarHBondContact O-N 3.05Å; K296-I299 PolarHBondContact O-N 3.2Å; K296-T300 WeakPolarHBondContact O-CB 3.49Å; K296-T300 PolarHBondContact O-N 3.47Å; K296-T300 PolarHBondContact O-OG1 3.13Å
297E94.7Very high93.7Very high11 Ų1154.4 Ų54.45%0.05125%0.252CS..Hα-helixtrans-65.8-39.8-179.8-169.160.1-157.100112I199 H203 Y266 L293 D294 R295 I299 T300 C301 R304I199-E297 HydrophobicContact CD1-CB 4.49Å; I199-E297 HydrophobicContact CG2-CB 4.45Å; I199-E297 HydrophobicContact CG2-CG 3.9Å; H203-E297 IonicContact CE1-OE1 2.66Å; H203-E297 IonicContact NE2-OE1 3.05Å; H203-E297 PolarHBondContact NE2-OE1 2.71Å; H203-E297 VanDerWaalsContact NE2-OE1 3.08Å; Y266-E297 HydrophobicContact CD1-CG 4.24Å; Y266-E297 HydrophobicContact CD2-CB 3.47Å; Y266-E297 VanDerWaalsContact CD2-CB 3.47Å; Y266-E297 HydrophobicContact CD2-CG 3.44Å; Y266-E297 VanDerWaalsContact CD2-CG 3.44Å; Y266-E297 HydrophobicContact CE2-CB 3.63Å; Y266-E297 HydrophobicContact CE2-CG 3.9Å; Y266-E297 HydrophobicContact CG-CB 4.19Å; Y266-E297 HydrophobicContact CG-CG 3.61Å; L293-E297 PolarHBondContact O-N 3.21Å; D294-E297 PolarHBondContact O-N 3.33Å; R295-E297 VanDerWaalsContact C-N 3.29Å; R295-E297 PolarHBondContact O-N 3.31Å; E297-I299 PolarHBondContact O-N 3.12Å; E297-T300 CarbonylContact O-C 3.57Å; E297-T300 PolarHBondContact O-N 2.9Å; E297-T300 VanDerWaalsContact O-N 3.14Å; E297-C301 WeakPolarHBondContact O-CB 3.28Å; E297-C301 PolarHBondContact O-N 3.28Å; E297-C301 PolarHBondContact O-SG 2.96Å; E297-R304 IonicContact OE1-CZ 2.76Å; E297-R304 IonicContact OE1-NH1 3.99Å; E297-R304 PolarHBondContact OE1-NH1 3.01Å; E297-R304 IonicContact OE1-NH2 3.77Å
298F92Very high94.1Very high22 Ų2252.2 Ų52.210%0.09624%0.244CC..Hα-helixtrans-56-50.2174.4-175.6-91000112.1I98 I104 I199 F202 D294 R295 T300 C301 L302I98-F298 HydrophobicContact CG2-CZ 4.08Å; I104-F298 HydrophobicContact CD1-CE1 3.86Å; I104-F298 HydrophobicContact CD1-CZ 3.93Å; I104-F298 HydrophobicContact CG1-CE1 4.03Å; I104-F298 HydrophobicContact CG1-CZ 3.86Å; I199-F298 HydrophobicContact CD1-CB 3.76Å; I199-F298 HydrophobicContact CD1-CD2 4.24Å; F202-F298 AromaticContact CD1-CD2 3.67Å; F202-F298 HydrophobicContact CD1-CD2 3.67Å; F202-F298 AromaticContact CD1-CE2 3.62Å; F202-F298 HydrophobicContact CD1-CE2 3.62Å; F202-F298 HydrophobicContact CD1-CZ 4.42Å; F202-F298 AromaticContact CE1-CD2 3.88Å; F202-F298 HydrophobicContact CE1-CD2 3.88Å; F202-F298 AromaticContact CE1-CE2 3.64Å; F202-F298 HydrophobicContact CE1-CE2 3.64Å; F202-F298 HydrophobicContact CE1-CG 4.42Å; F202-F298 AromaticContact CE1-CZ 4Å; F202-F298 HydrophobicContact CE1-CZ 4Å; D294-F298 PolarHBondContact O-N 2.94Å; R295-F298 PolarHBondContact O-N 3.21Å; F298-T300 VanDerWaalsContact C-N 3.28Å; F298-T300 PolarHBondContact O-N 3.38Å; F298-C301 PolarHBondContact O-N 3.41Å; F298-L302 PolarHBondContact O-N 3.46Å; F298-L302 VanDerWaalsContact O-N 3.12Å
299I92.1Very high94.5Very high98 Ų9847.6 Ų47.650%0.50323%0.225SC..Hα-helixtrans-62.8-39177.5-63.4169.9000110.5R295 K296 E297 L302 S303R295-I299 HydrophobicContact CG-CD1 4.42Å; R295-I299 WeakPolarHBondContact O-CG1 3.27Å; R295-I299 PolarHBondContact O-N 3.49Å; K296-I299 PolarHBondContact O-N 3.2Å; E297-I299 PolarHBondContact O-N 3.12Å; I299-L302 PolarHBondContact O-N 3.04Å; I299-S303 PolarHBondContact O-N 3.25Å
300T95.9Very high94.6Very high39 Ų3949.9 Ų49.924%0.23923%0.231CC..Hα-helixtrans-66.7-40.1179.2-52.90000111.3K296 E297 F298 S303 R304K296-T300 WeakPolarHBondContact O-CB 3.49Å; K296-T300 PolarHBondContact O-N 3.47Å; K296-T300 PolarHBondContact O-OG1 3.13Å; E297-T300 CarbonylContact O-C 3.57Å; E297-T300 PolarHBondContact O-N 2.9Å; E297-T300 VanDerWaalsContact O-N 3.14Å; F298-T300 VanDerWaalsContact C-N 3.28Å; F298-T300 PolarHBondContact O-N 3.38Å; T300-S303 PolarHBondContact O-N 2.91Å; T300-R304 VanDerWaalsContact CG2-CZ 3.43Å; T300-R304 VanDerWaalsContact CG2-NH2 3.29Å; T300-R304 VanDerWaalsContact O-CG 3.31Å; T300-R304 WeakPolarHBondContact O-CG 3.49Å; T300-R304 PolarHBondContact O-N 3.46Å
301C94.9Very high94.9Very high0 Ų050.5 Ų50.50%024%0.235CC..Hα-helixtrans-61.6-43.2174.4-71.90000112F202 H203 L206 E297 F298 R304 L305F202-C301 HydrophobicContact CD1-CB 3.87Å; F202-C301 HydrophobicContact CD2-CB 3.83Å; F202-C301 HydrophobicContact CE1-CB 3.77Å; F202-C301 HydrophobicContact CE2-CB 3.69Å; F202-C301 HydrophobicContact CG-CB 3.91Å; F202-C301 HydrophobicContact CZ-CB 3.68Å; H203-C301 PolarHBondContact CD2-SG 3.24Å; H203-C301 PolarHBondContact NE2-SG 3.41Å; L206-C301 HydrophobicContact CD2-CB 4.31Å; E297-C301 WeakPolarHBondContact O-CB 3.28Å; E297-C301 PolarHBondContact O-N 3.28Å; E297-C301 PolarHBondContact O-SG 2.96Å; F298-C301 PolarHBondContact O-N 3.41Å; C301-R304 PolarHBondContact O-N 3.08Å; C301-L305 PolarHBondContact O-N 3.01Å
302L93.9Very high95.3Very high30 Ų3048.7 Ų48.716%0.15723%0.227CC..Hα-helixtrans-61.9-45.3175.9-17366.2000111.7I95 T99 F202 F298 I299 R304 L305 Q306I95-L302 HydrophobicContact CG2-CD1 4.08Å; T99-L302 HydrophobicContact CG2-CD1 3.91Å; T99-L302 HydrophobicContact CG2-CD2 3.92Å; F202-L302 HydrophobicContact CZ-CB 4.23Å; F202-L302 HydrophobicContact CZ-CD1 4.48Å; F298-L302 PolarHBondContact O-N 3.46Å; F298-L302 VanDerWaalsContact O-N 3.12Å; I299-L302 PolarHBondContact O-N 3.04Å; L302-R304 VanDerWaalsContact C-N 3.34Å; L302-R304 PolarHBondContact O-N 3.3Å; L302-L305 PolarHBondContact O-N 3.17Å; L302-Q306 WeakPolarHBondContact O-CG 3.48Å; L302-Q306 PolarHBondContact O-N 3.34Å
303S95.9Very high95.6Very high60 Ų6043.3 Ų43.342%0.4221%0.213SC..Hα-helixtrans-59.8-43.2175.7-177.80000111.8I299 T300 L305 Q306 T307I299-S303 PolarHBondContact O-N 3.25Å; T300-S303 PolarHBondContact O-N 2.91Å; S303-L305 PolarHBondContact O-N 3.4Å; S303-Q306 WeakPolarHBondContact O-CB 3.39Å; S303-Q306 PolarHBondContact O-N 2.81Å; S303-Q306 VanDerWaalsContact O-N 3.13Å; S303-T307 PolarHBondContact O-N 2.96Å; S303-T307 PolarHBondContact O-OG1 3.42Å
304R97.9Very high95.7Very high21 Ų2147.4 Ų47.48%0.07923%0.234CC..Hα-helixtrans-64.1-38.2176.1-69.1173.3-170140.43.5112.7L206 C259 E297 T300 C301 L302 Q306 T307 V308L206-R304 HydrophobicContact CD1-CB 4Å; L206-R304 HydrophobicContact CD2-CB 4.05Å; C259-R304 HydrophobicContact CB-CG 4.28Å; E297-R304 IonicContact OE1-CZ 2.76Å; E297-R304 IonicContact OE1-NH1 3.99Å; E297-R304 PolarHBondContact OE1-NH1 3.01Å; E297-R304 IonicContact OE1-NH2 3.77Å; T300-R304 VanDerWaalsContact CG2-CZ 3.43Å; T300-R304 VanDerWaalsContact CG2-NH2 3.29Å; T300-R304 VanDerWaalsContact O-CG 3.31Å; T300-R304 WeakPolarHBondContact O-CG 3.49Å; T300-R304 PolarHBondContact O-N 3.46Å; C301-R304 PolarHBondContact O-N 3.08Å; L302-R304 VanDerWaalsContact C-N 3.34Å; L302-R304 PolarHBondContact O-N 3.3Å; R304-Q306 VanDerWaalsContact C-N 3.32Å; R304-T307 WeakPolarHBondContact O-CB 3.27Å; R304-T307 PolarHBondContact O-N 3.34Å; R304-V308 WeakPolarHBondContact O-CG2 3.43Å; R304-V308 PolarHBondContact O-N 2.9Å
305L96.6Very high95.8Very high0 Ų046.9 Ų46.90%023%0.231CC..Hα-helixtrans-61.9-41.6171.8-79.1-176.8000111.5V91 M94 I95 I98 F202 L206 F209 C301 L302 S303 T307 V308 Q309V91-L305 HydrophobicContact CG1-CB 4.46Å; V91-L305 HydrophobicContact CG1-CD2 4.45Å; V91-L305 VanDerWaalsContact CG1-O 3.29Å; V91-L305 WeakPolarHBondContact CG1-O 3.4Å; M94-L305 HydrophobicContact CG-CD1 4.29Å; I95-L305 HydrophobicContact CD1-CB 4.09Å; I95-L305 HydrophobicContact CG1-CB 3.87Å; I95-L305 HydrophobicContact CG1-CD1 4.22Å; I98-L305 HydrophobicContact CD1-CD1 3.81Å; F202-L305 HydrophobicContact CE2-CD1 3.54Å; F202-L305 HydrophobicContact CE2-CG 4.14Å; F202-L305 HydrophobicContact CZ-CD1 4.1Å; L206-L305 HydrophobicContact CD1-CD2 3.65Å; L206-L305 HydrophobicContact CD1-CG 3.94Å; F209-L305 HydrophobicContact CB-CD2 4.32Å; F209-L305 HydrophobicContact CD2-CD2 3.87Å; F209-L305 HydrophobicContact CG-CD2 4.32Å; C301-L305 PolarHBondContact O-N 3.01Å; L302-L305 PolarHBondContact O-N 3.17Å; S303-L305 PolarHBondContact O-N 3.4Å; L305-T307 VanDerWaalsContact C-N 3.31Å; L305-T307 PolarHBondContact O-N 3.4Å; L305-V308 WeakPolarHBondContact O-CB 3.5Å; L305-V308 PolarHBondContact O-N 3.43Å; L305-Q309 PolarHBondContact O-N 3.1Å
306Q97Very high96.1Very high79 Ų7940.3 Ų40.337%0.36921%0.208SC..Hα-helixtrans-61.8-40.1174.7-69.9173.7-25.600111.4I95 L302 S303 R304 V308 Q309 Q310I95-Q306 HydrophobicContact CD1-CG 3.87Å; L302-Q306 WeakPolarHBondContact O-CG 3.48Å; L302-Q306 PolarHBondContact O-N 3.34Å; S303-Q306 WeakPolarHBondContact O-CB 3.39Å; S303-Q306 PolarHBondContact O-N 2.81Å; S303-Q306 VanDerWaalsContact O-N 3.13Å; R304-Q306 VanDerWaalsContact C-N 3.32Å; Q306-V308 PolarHBondContact O-N 3.08Å; Q306-Q309 WeakPolarHBondContact O-CB 3.46Å; Q306-Q309 PolarHBondContact O-N 3.44Å; Q306-Q310 WeakPolarHBondContact O-CB 3.43Å; Q306-Q310 VanDerWaalsContact O-CG 3.25Å; Q306-Q310 WeakPolarHBondContact O-CG 3.36Å; Q306-Q310 PolarHBondContact O-N 2.92Å
307T97.4Very high96.1Very high38 Ų3840.1 Ų40.123%0.23321%0.211CC..Hα-helixtrans-56.8-48.7171.6-55.80000110.9S303 R304 L305 Q309 Q310 T311S303-T307 PolarHBondContact O-N 2.96Å; S303-T307 PolarHBondContact O-OG1 3.42Å; R304-T307 WeakPolarHBondContact O-CB 3.27Å; R304-T307 PolarHBondContact O-N 3.34Å; L305-T307 VanDerWaalsContact C-N 3.31Å; L305-T307 PolarHBondContact O-N 3.4Å; T307-Q309 VanDerWaalsContact C-N 3.34Å; T307-Q309 PolarHBondContact O-N 2.69Å; T307-Q310 PolarHBondContact O-N 3.33Å; T307-T311 WeakPolarHBondContact O-CB 3.38Å; T307-T311 PolarHBondContact O-N 3.08Å; T307-T311 PolarHBondContact O-OG1 3.35Å
308V98.2Very high96Very high1 Ų142.7 Ų42.71%0.00622%0.222CC..Hα-helixtrans-56.4-48.2177.3177.50000111.2V91 F209 L210 A213 L256 R304 L305 Q306 T311 Y312V91-V308 HydrophobicContact CG1-CB 4.47Å; V91-V308 HydrophobicContact CG2-CG1 3.95Å; F209-V308 HydrophobicContact CB-CG1 4.5Å; L210-V308 HydrophobicContact CD2-CG2 3.63Å; L210-V308 HydrophobicContact CG-CG2 4.31Å; A213-V308 HydrophobicContact CB-CG1 4.13Å; L256-V308 HydrophobicContact CD2-CB 4.42Å; L256-V308 HydrophobicContact CD2-CG2 3.77Å; R304-V308 WeakPolarHBondContact O-CG2 3.43Å; R304-V308 PolarHBondContact O-N 2.9Å; L305-V308 WeakPolarHBondContact O-CB 3.5Å; L305-V308 PolarHBondContact O-N 3.43Å; Q306-V308 PolarHBondContact O-N 3.08Å; V308-T311 PolarHBondContact O-N 2.89Å; V308-Y312 HydrophobicContact CG1-CD2 3.87Å; V308-Y312 HydrophobicContact CG1-CE2 3.66Å; V308-Y312 VanDerWaalsContact O-CD2 3.25Å; V308-Y312 WeakPolarHBondContact O-CD2 3.43Å; V308-Y312 PolarHBondContact O-N 3.42Å; V308-Y312 VanDerWaalsContact O-N 3.09Å
309Q97.9Very high96Very high43 Ų4341.8 Ų41.820%0.20122%0.218CC..Hα-helixtrans-59.1-49.7178.4-175.1-165.6-2.300112.2V91 R92 I95 L305 Q306 T307 T311 Y312 T313V91-Q309 HydrophobicContact CB-CB 4.19Å; V91-Q309 HydrophobicContact CG1-CB 3.77Å; R92-Q309 HydrophobicContact CB-CG 4.49Å; I95-Q309 HydrophobicContact CD1-CB 4.38Å; L305-Q309 PolarHBondContact O-N 3.1Å; Q306-Q309 WeakPolarHBondContact O-CB 3.46Å; Q306-Q309 PolarHBondContact O-N 3.44Å; T307-Q309 VanDerWaalsContact C-N 3.34Å; T307-Q309 PolarHBondContact O-N 2.69Å; Q309-T311 VanDerWaalsContact C-N 3.34Å; Q309-Y312 PolarHBondContact O-N 2.91Å; Q309-T313 PolarHBondContact O-N 3.31Å; Q309-T313 VanDerWaalsContact O-N 3.07Å; Q309-T313 PolarHBondContact O-OG1 3.46Å
310Q97.6Very high96Very high110 Ų11043.5 Ų43.551%0.51422%0.222SC..Hα-helixtrans-63.8-42.1-178.7-73.1172.4-1.400110.8Q306 T307 T313 L314Q306-Q310 WeakPolarHBondContact O-CB 3.43Å; Q306-Q310 VanDerWaalsContact O-CG 3.25Å; Q306-Q310 WeakPolarHBondContact O-CG 3.36Å; Q306-Q310 PolarHBondContact O-N 2.92Å; T307-Q310 PolarHBondContact O-N 3.33Å; Q310-T313 PolarHBondContact O-N 3.32Å; Q310-L314 WeakPolarHBondContact O-CB 3.33Å; Q310-L314 VanDerWaalsContact O-CG 3.28Å; Q310-L314 WeakPolarHBondContact O-CG 3.41Å; Q310-L314 PolarHBondContact O-N 3.28Å
311T97.6Very high95.8Very high14 Ų1449.2 Ų49.29%0.08624%0.244CC..Hα-helixtrans-59.7-48.8177.7-69.70000111.4F217 A252 L256 T307 V308 Q309 T313 T315F217-T311 HydrophobicContact CD1-CG2 4.28Å; F217-T311 HydrophobicContact CD2-CG2 4.5Å; F217-T311 HydrophobicContact CE1-CG2 3.45Å; F217-T311 VanDerWaalsContact CE1-CG2 3.45Å; F217-T311 HydrophobicContact CE2-CG2 3.71Å; F217-T311 HydrophobicContact CZ-CG2 3.12Å; A252-T311 HydrophobicContact CB-CG2 3.76Å; L256-T311 HydrophobicContact CD1-CG2 3.86Å; L256-T311 HydrophobicContact CD2-CG2 4.46Å; L256-T311 HydrophobicContact CG-CG2 4.23Å; T307-T311 WeakPolarHBondContact O-CB 3.38Å; T307-T311 PolarHBondContact O-N 3.08Å; T307-T311 PolarHBondContact O-OG1 3.35Å; V308-T311 PolarHBondContact O-N 2.89Å; Q309-T311 VanDerWaalsContact C-N 3.34Å; T311-T313 PolarHBondContact O-N 2.99Å; T311-T315 VanDerWaalsContact O-CB 3.22Å; T311-T315 WeakPolarHBondContact O-CB 3.5Å; T311-T315 PolarHBondContact O-N 3.04Å; T311-T315 PolarHBondContact O-OG1 3.33Å
312Y98.3Very high95.4Very high0 Ų049.2 Ų49.20%024%0.244CC..Hα-helixtrans-59-44.8173.4-81.6-67.6000113F84 M87 A213 D216 F217 V308 Q309 F316F84-Y312 HydrophobicContact CB-CD1 4.24Å; F84-Y312 AromaticContact CD1-CD1 3.78Å; F84-Y312 HydrophobicContact CD1-CD1 3.78Å; F84-Y312 HydrophobicContact CD2-CD1 4.28Å; F84-Y312 HydrophobicContact CD2-CE1 4.41Å; F84-Y312 HydrophobicContact CE1-CD1 4.11Å; F84-Y312 HydrophobicContact CE2-CE1 4.47Å; F84-Y312 AromaticContact CG-CD1 3.85Å; F84-Y312 HydrophobicContact CG-CD1 3.85Å; F84-Y312 HydrophobicContact CG-CE1 4.43Å; F84-Y312 HydrophobicContact CZ-CD1 4.5Å; M87-Y312 HydrophobicContact CB-CD1 4.1Å; M87-Y312 HydrophobicContact CB-CD2 3.98Å; M87-Y312 HydrophobicContact CB-CE1 3.93Å; M87-Y312 HydrophobicContact CB-CE2 3.8Å; M87-Y312 HydrophobicContact CB-CG 4.11Å; M87-Y312 HydrophobicContact CE-CE2 4.3Å; M87-Y312 HydrophobicContact CG-CE1 4.18Å; M87-Y312 HydrophobicContact CG-CE2 4.42Å; A213-Y312 WeakPolarHBondContact CA-OH 3.49Å; A213-Y312 HydrophobicContact CB-CE2 3.87Å; A213-Y312 PolarHBondContact N-OH 3.29Å; D216-Y312 HydrophobicContact CB-CE1 4.29Å; D216-Y312 PolarHBondContact OD2-OH 3.16Å; F217-Y312 AromaticContact CE2-CD1 3.92Å; F217-Y312 HydrophobicContact CE2-CD1 3.92Å; F217-Y312 AromaticContact CE2-CE1 3.97Å; F217-Y312 HydrophobicContact CE2-CE1 3.97Å; F217-Y312 HydrophobicContact CE2-CG 4.43Å; V308-Y312 HydrophobicContact CG1-CD2 3.87Å; V308-Y312 HydrophobicContact CG1-CE2 3.66Å; V308-Y312 VanDerWaalsContact O-CD2 3.25Å; V308-Y312 WeakPolarHBondContact O-CD2 3.43Å; V308-Y312 PolarHBondContact O-N 3.42Å; V308-Y312 VanDerWaalsContact O-N 3.09Å; Q309-Y312 PolarHBondContact O-N 2.91Å; Y312-F316 VanDerWaalsContact O-CB 3.26Å; Y312-F316 WeakPolarHBondContact O-CB 3.38Å; Y312-F316 PolarHBondContact O-N 2.86Å
313T97.7Very high95.1Very high56 Ų5649.2 Ų49.234%0.34424%0.244SC..Hα-helixtrans-64.1-53.3-176.9-54.10000111.2Q309 Q310 T311 T315 F316 D317Q309-T313 PolarHBondContact O-N 3.31Å; Q309-T313 VanDerWaalsContact O-N 3.07Å; Q309-T313 PolarHBondContact O-OG1 3.46Å; Q310-T313 PolarHBondContact O-N 3.32Å; T311-T313 PolarHBondContact O-N 2.99Å; T313-T315 PolarHBondContact O-N 3.26Å; T313-F316 PolarHBondContact O-N 3.28Å; T313-D317 PolarHBondContact O-N 3.05Å
314L96.6Very high94.4Very high95 Ų9551.7 Ų51.750%0.49725%0.247SC..Hα-helixtrans-65.8-40.7-177.9-66.4173.2000111.4F248 Q310 D317 F318F248-L314 HydrophobicContact CE1-CB 4.35Å; F248-L314 HydrophobicContact CZ-CB 3.79Å; Q310-L314 WeakPolarHBondContact O-CB 3.33Å; Q310-L314 VanDerWaalsContact O-CG 3.28Å; Q310-L314 WeakPolarHBondContact O-CG 3.41Å; Q310-L314 PolarHBondContact O-N 3.28Å; L314-D317 PolarHBondContact O-N 2.88Å; L314-F318 WeakPolarHBondContact O-CB 3.46Å; L314-F318 PolarHBondContact O-N 3.17Å
315T96.1Very high93.5Very high0 Ų053.6 Ų53.60%026%0.257CS..Hα-helixtrans-65.7-40.8176.5-61.70000112F84 F217 F248 V249 T311 T313 F318 I319F84-T315 HydrophobicContact CD1-CG2 4.29Å; F84-T315 HydrophobicContact CE1-CG2 3.67Å; F217-T315 HydrophobicContact CE1-CG2 3.84Å; F217-T315 WeakPolarHBondContact CE1-OG1 3.33Å; F217-T315 HydrophobicContact CZ-CG2 4.01Å; F217-T315 WeakPolarHBondContact CZ-OG1 3.29Å; F248-T315 WeakPolarHBondContact CE1-OG1 2.92Å; V249-T315 HydrophobicContact CG2-CG2 3.9Å; T311-T315 VanDerWaalsContact O-CB 3.22Å; T311-T315 WeakPolarHBondContact O-CB 3.5Å; T311-T315 PolarHBondContact O-N 3.04Å; T311-T315 PolarHBondContact O-OG1 3.33Å; T313-T315 PolarHBondContact O-N 3.26Å; T315-F318 PolarHBondContact O-N 3.48Å; T315-I319 HydrophobicContact CG2-CD1 3.57Å; T315-I319 HydrophobicContact CG2-CG1 4.16Å; T315-I319 VanDerWaalsContact O-CB 3.31Å; T315-I319 WeakPolarHBondContact O-CB 3.4Å; T315-I319 VanDerWaalsContact O-CG1 3.24Å; T315-I319 WeakPolarHBondContact O-CG1 3.49Å; T315-I319 PolarHBondContact O-N 3.39Å
316F96.3Very high92.6Very high40 Ų4054.1 Ų54.118%0.17526%0.259CS..Hα-helixtrans-59.8-49.8174.2173.5-103.9000111.6I80 F84 P85 Y312 T313 F318 I319 K320I80-F316 HydrophobicContact CG2-CD2 4.31Å; F84-F316 HydrophobicContact CB-CB 3.97Å; F84-F316 HydrophobicContact CB-CD2 4.2Å; F84-F316 HydrophobicContact CB-CG 4.42Å; F84-F316 HydrophobicContact CD1-CB 4.35Å; P85-F316 HydrophobicContact CG-CD1 4.12Å; P85-F316 HydrophobicContact CG-CD2 3.88Å; P85-F316 HydrophobicContact CG-CE1 3.96Å; P85-F316 HydrophobicContact CG-CE2 3.72Å; P85-F316 HydrophobicContact CG-CG 4.07Å; P85-F316 HydrophobicContact CG-CZ 3.75Å; Y312-F316 VanDerWaalsContact O-CB 3.26Å; Y312-F316 WeakPolarHBondContact O-CB 3.38Å; Y312-F316 PolarHBondContact O-N 2.86Å; T313-F316 PolarHBondContact O-N 3.28Å; F316-F318 PolarHBondContact O-N 3.25Å; F316-I319 PolarHBondContact O-N 3.13Å; F316-K320 HydrophobicContact CE1-CD 4.07Å; F316-K320 HydrophobicContact CZ-CD 4.07Å; F316-K320 WeakPolarHBondContact O-CB 3.47Å; F316-K320 PolarHBondContact O-N 3.24Å
317D94.7Very high91.7Very high85 Ų8553.7 Ų53.746%0.45526%0.258SS..Hα-helixtrans-62.7-43.1-179.8-74.1-21.8000111.8T313 L314 K320 F321T313-D317 PolarHBondContact O-N 3.05Å; L314-D317 PolarHBondContact O-N 2.88Å; D317-K320 PolarHBondContact O-N 3.38Å; D317-F321 WeakPolarHBondContact O-CB 2.99Å; D317-F321 PolarHBondContact O-N 3.43Å
318F92Very high90.4Very high65 Ų6553 Ų5329%0.28526%0.258SS..Hα-helixtrans-67.9-45-179.3-158-125.4000111.8V245 F248 L314 T315 F316 F321 S322V245-F318 HydrophobicContact CB-CD1 4.35Å; V245-F318 HydrophobicContact CB-CE1 4.19Å; V245-F318 HydrophobicContact CG1-CD1 4.46Å; V245-F318 HydrophobicContact CG2-CD1 3.85Å; V245-F318 HydrophobicContact CG2-CE1 3.64Å; V245-F318 HydrophobicContact CG2-CZ 4.36Å; F248-F318 HydrophobicContact CB-CD1 4Å; F248-F318 HydrophobicContact CB-CE1 3.87Å; F248-F318 HydrophobicContact CD1-CB 4.43Å; F248-F318 AromaticContact CD1-CD1 3.81Å; F248-F318 HydrophobicContact CD1-CD1 3.81Å; F248-F318 HydrophobicContact CD1-CE1 4.49Å; F248-F318 HydrophobicContact CD1-CG 4.4Å; F248-F318 HydrophobicContact CE1-CB 4.41Å; F248-F318 AromaticContact CG-CD1 3.93Å; F248-F318 HydrophobicContact CG-CD1 3.93Å; F248-F318 HydrophobicContact CG-CE1 4.17Å; L314-F318 WeakPolarHBondContact O-CB 3.46Å; L314-F318 PolarHBondContact O-N 3.17Å; T315-F318 PolarHBondContact O-N 3.48Å; F316-F318 PolarHBondContact O-N 3.25Å; F318-F321 PolarHBondContact O-N 2.96Å; F318-S322 WeakPolarHBondContact O-CB 3.4Å; F318-S322 PolarHBondContact O-N 3.36Å; F318-S322 PolarHBondContact O-OG 3.15Å
319I92.1Very high88.5Confident3 Ų356 Ų562%0.01527%0.274CS..Hα-helixtrans-61.7-49.7174.2-69.7174.9000109.5I80 T220 W223 V245 V249 T315 F316 F321 S322 L323I80-I319 HydrophobicContact CD1-CD1 4.12Å; I80-I319 HydrophobicContact CD1-CG2 4.43Å; I80-I319 HydrophobicContact CG2-CD1 4.45Å; I80-I319 HydrophobicContact CG2-CG2 4.43Å; T220-I319 HydrophobicContact CG2-CD1 3.59Å; W223-I319 HydrophobicContact CH2-CG2 4.22Å; W223-I319 HydrophobicContact CZ3-CG2 4.16Å; V245-I319 HydrophobicContact CG1-CG1 4.25Å; V249-I319 HydrophobicContact CG2-CD1 4.44Å; T315-I319 HydrophobicContact CG2-CD1 3.57Å; T315-I319 HydrophobicContact CG2-CG1 4.16Å; T315-I319 VanDerWaalsContact O-CB 3.31Å; T315-I319 WeakPolarHBondContact O-CB 3.4Å; T315-I319 VanDerWaalsContact O-CG1 3.24Å; T315-I319 WeakPolarHBondContact O-CG1 3.49Å; T315-I319 PolarHBondContact O-N 3.39Å; F316-I319 PolarHBondContact O-N 3.13Å; I319-F321 VanDerWaalsContact C-N 3.28Å; I319-F321 PolarHBondContact O-N 2.97Å; I319-S322 CarbonylContact O-C 3.48Å; I319-S322 PolarHBondContact O-N 3.11Å; I319-L323 HydrophobicContact CG2-CD2 3.93Å; I319-L323 HydrophobicContact CG2-CG 3.96Å; I319-L323 VanDerWaalsContact O-CG 3.29Å; I319-L323 WeakPolarHBondContact O-CG 3.49Å; I319-L323 PolarHBondContact O-N 2.91Å
320K92.3Very high86.4Confident135 Ų13564.9 Ų64.959%0.58731%0.306SS*.Hα-helixtrans-55-43.1180-178.4-177.2177.6-1750112.2F316 D317F316-K320 HydrophobicContact CE1-CD 4.07Å; F316-K320 HydrophobicContact CZ-CD 4.07Å; F316-K320 WeakPolarHBondContact O-CB 3.47Å; F316-K320 PolarHBondContact O-N 3.24Å; D317-K320 PolarHBondContact O-N 3.38Å
321F90Very high84.2Confident159 Ų15964.9 Ų64.970%0.69731%0.313SS*.Hα-helixtrans-65.1-38.7176.2-179.5-98.8000112.2D317 F318 I319D317-F321 WeakPolarHBondContact O-CB 2.99Å; D317-F321 PolarHBondContact O-N 3.43Å; F318-F321 PolarHBondContact O-N 2.96Å; I319-F321 VanDerWaalsContact C-N 3.28Å; I319-F321 PolarHBondContact O-N 2.97Å
322S88.1Confident81.8Confident0 Ų068 Ų680%033%0.33CS..Hα-helixtrans-88.4-12.4-177.5-58.70000115V245 F318 I319 F324 E325 I326V245-S322 VanDerWaalsContact CG2-OG 3.3Å; V245-S322 WeakPolarHBondContact CG2-OG 3.39Å; F318-S322 WeakPolarHBondContact O-CB 3.4Å; F318-S322 PolarHBondContact O-N 3.36Å; F318-S322 PolarHBondContact O-OG 3.15Å; I319-S322 CarbonylContact O-C 3.48Å; I319-S322 PolarHBondContact O-N 3.11Å; S322-F324 PolarHBondContact O-N 2.75Å; S322-F324 VanDerWaalsContact O-N 3.15Å; S322-E325 PolarHBondContact O-N 3.46Å; S322-I326 VanDerWaalsContact O-CG1 3.29Å; S322-I326 WeakPolarHBondContact O-CG1 3.05Å; S322-I326 PolarHBondContact O-N 3.31Å
323L86.3Confident79.2Confident29 Ų2976.3 Ų76.315%0.15237%0.366CS..Hα-helixtrans-52.4-42-174.1-87.4178000113W223 I319 E325 I326 E327W223-L323 HydrophobicContact CH2-CD2 3.58Å; W223-L323 HydrophobicContact CZ2-CD2 4.05Å; I319-L323 HydrophobicContact CG2-CD2 3.93Å; I319-L323 HydrophobicContact CG2-CG 3.96Å; I319-L323 VanDerWaalsContact O-CG 3.29Å; I319-L323 WeakPolarHBondContact O-CG 3.49Å; I319-L323 PolarHBondContact O-N 2.91Å; L323-E325 VanDerWaalsContact C-N 3.3Å; L323-E325 PolarHBondContact O-N 3.16Å; L323-I326 PolarHBondContact O-N 3.43Å; L323-E327 WeakPolarHBondContact O-CB 3.44Å; L323-E327 WeakPolarHBondContact O-CG 3.42Å; L323-E327 PolarHBondContact O-N 2.87Å
324F81Confident76.5Confident112 Ų11278.4 Ų78.449%0.49138%0.38SS..Hα-helixtrans-60.7-40.7-179.7-178.4-95.7000112.4S322 G328 N329S322-F324 PolarHBondContact O-N 2.75Å; S322-F324 VanDerWaalsContact O-N 3.15Å; F324-G328 PolarHBondContact O-N 2.83Å; F324-N329 VanDerWaalsContact CE2-CG 3.42Å; F324-N329 WeakPolarHBondContact CE2-ND2 3.38Å; F324-N329 VanDerWaalsContact CE2-OD1 3.22Å; F324-N329 WeakPolarHBondContact CE2-OD1 3.48Å; F324-N329 HydrophobicContact CZ-CB 4.47Å; F324-N329 WeakPolarHBondContact CZ-ND2 3.47Å
325E80.8Confident74Confident62 Ų6282.2 Ų82.229%0.2940%0.396SS..Hα-helixtrans-81.6-30.5-180-63.3-64.5168.100112.4R238 L241 S322 L323R238-E325 WeakPolarHBondContact CD-OE2 3.2Å; R238-E325 WeakPolarHBondContact CG-OE2 3.33Å; R238-E325 IonicContact CZ-OE2 3.61Å; R238-E325 IonicContact NE-OE2 3.32Å; R238-E325 PolarHBondContact NE-OE2 3.5Å; R238-E325 IonicContact NH2-OE2 3.62Å; L241-E325 HydrophobicContact CD2-CB 3.58Å; L241-E325 HydrophobicContact CD2-CG 3.64Å; S322-E325 PolarHBondContact O-N 3.46Å; L323-E325 VanDerWaalsContact C-N 3.3Å; L323-E325 PolarHBondContact O-N 3.16Å
326I76.4Confident71.4Confident10 Ų1089.2 Ų89.25%0.05143%0.433CS..Hα-helixtrans-69.9-47177.4-67.4168000110.8L224 H227 F242 V245 S322 L323 G328L224-I326 HydrophobicContact CD2-CD1 4.17Å; H227-I326 HydrophobicContact CB-CG2 3.72Å; F242-I326 HydrophobicContact CD2-CG1 4.35Å; F242-I326 HydrophobicContact CD2-CG2 4.37Å; V245-I326 HydrophobicContact CG1-CD1 4.26Å; V245-I326 HydrophobicContact CG2-CD1 4.36Å; S322-I326 VanDerWaalsContact O-CG1 3.29Å; S322-I326 WeakPolarHBondContact O-CG1 3.05Å; S322-I326 PolarHBondContact O-N 3.31Å; L323-I326 PolarHBondContact O-N 3.43Å; I326-G328 VanDerWaalsContact C-N 3.34Å
327E78.1Confident68.8Low71 Ų7195.9 Ų95.933%0.33247%0.465SS..Hα-helixtrans-78.1-23.3-176.1-68.2-176.1159.200112.9R77 L323R77-E327 VanDerWaalsContact CD-OE1 3.3Å; R77-E327 WeakPolarHBondContact CD-OE1 3.25Å; R77-E327 IonicContact CZ-OE1 3.28Å; R77-E327 VanDerWaalsContact CZ-OE1 3.28Å; R77-E327 IonicContact CZ-OE2 3.12Å; R77-E327 IonicContact NE-OE1 3.59Å; R77-E327 PolarHBondContact NE-OE1 3.39Å; R77-E327 IonicContact NH1-OE1 3.51Å; R77-E327 PolarHBondContact NH1-OE1 3.24Å; R77-E327 IonicContact NH1-OE2 3.8Å; R77-E327 PolarHBondContact NH1-OE2 3.31Å; R77-E327 IonicContact NH2-OE2 3.31Å; R77-E327 PolarHBondContact NH2-OE2 3.29Å; L323-E327 WeakPolarHBondContact O-CB 3.44Å; L323-E327 WeakPolarHBondContact O-CG 3.42Å; L323-E327 PolarHBondContact O-N 2.87Å
328G69.7Low66.5Low23 Ų2395.6 Ų95.624%0.23747%0.474CS..  trans68125.2-175.700000111.7F324 I326 R330F324-G328 PolarHBondContact O-N 2.83Å; I326-G328 VanDerWaalsContact C-N 3.34Å; G328-R330 PolarHBondContact O-N 3.44Å; G328-R330 VanDerWaalsContact O-N 3.14Å
329N58.8Low64.5Low65 Ų65100.2 Ų100.235%0.34849%0.494SS..  trans-63.7118.2167-97.61.1000109.3F324 T331 D332F324-N329 VanDerWaalsContact CE2-CG 3.42Å; F324-N329 WeakPolarHBondContact CE2-ND2 3.38Å; F324-N329 VanDerWaalsContact CE2-OD1 3.22Å; F324-N329 WeakPolarHBondContact CE2-OD1 3.48Å; F324-N329 HydrophobicContact CZ-CB 4.47Å; F324-N329 WeakPolarHBondContact CZ-ND2 3.47Å; N329-T331 PolarHBondContact O-N 3.16Å; N329-D332 PolarHBondContact O-N 2.72Å
330R54.1Low62.4Low229 Ų229106.1 Ų106.186%0.86453%0.533SS*.THydrogen-bonded Turntrans-60-9170.9-71.4-174.7174-156.8-6.7113.3G328G328-R330 PolarHBondContact O-N 3.44Å; G328-R330 VanDerWaalsContact O-N 3.14Å
331T50.8Low60.5Low110 Ų110106.5 Ų106.568%0.67554%0.537SS*.THydrogen-bonded Turntrans-87.6-1.1-179.4410000114.9N329 F333N329-T331 PolarHBondContact O-N 3.16Å; T331-F333 VanDerWaalsContact C-N 3.27Å; T331-F333 PolarHBondContact O-N 3.12Å
332D48.4Very low58.5Low80 Ų80103.2 Ų103.243%0.42854%0.539SS..SBendtrans-85.19.6-179.2-66.9-11.7000114.4R238 N329R238-D332 IonicContact CZ-OD2 2.7Å; R238-D332 IonicContact NH1-OD2 3.92Å; R238-D332 IonicContact NH2-OD2 3.08Å; R238-D332 PolarHBondContact NH2-OD2 3.46Å; N329-D332 PolarHBondContact O-N 2.72Å
333F43.5Very low56.5Low174 Ų174112.8 Ų112.876%0.76358%0.584SS**  trans-116.492.8169-69.1-80.6000110.7T331 E335T331-F333 VanDerWaalsContact C-N 3.27Å; T331-F333 PolarHBondContact O-N 3.12Å; F333-E335 PolarHBondContact O-N 3.1Å
334P41.3Very low54.8Low99 Ų99120.2 Ų120.264%0.64362%0.618SS**  trans-67119.4147.828.5-26.7000106.8N336P334-N336 PolarHBondContact O-N 3.14Å
335E43.7Very low53.5Low175 Ų175124.1 Ų124.182%0.81864%0.638SS**  trans-51.690.9158.3-73170.5156.400108.3F333 E337F333-E335 PolarHBondContact O-N 3.1Å; E335-E337 PolarHBondContact O-N 2.88Å; E335-E337 VanDerWaalsContact O-N 3.17Å
336N41.3Very low51.9Low147 Ų147125.3 Ų125.379%0.78666%0.658SS**  trans-83.459.6155.8-82.6-19.2000107.7P334 A338P334-N336 PolarHBondContact O-N 3.14Å; N336-A338 PolarHBondContact O-N 3.02Å; N336-A338 VanDerWaalsContact O-N 3.16Å
337E42.2Very low50.3Low180 Ų180131.7 Ų131.784%0.84170%0.701SS**  trans-7672.5148.5-73.3-163.2159.100107.6E335E335-E337 PolarHBondContact O-N 2.88Å; E335-E337 VanDerWaalsContact O-N 3.17Å
338A45.1Very low49Very low80 Ų80132.8 Ų132.866%0.66172%0.717SS**  trans-112.985160.800000107.2N336 P340N336-A338 PolarHBondContact O-N 3.02Å; N336-A338 VanDerWaalsContact O-N 3.16Å; A338-P340 WeakPolarHBondContact O-CD 3.47Å
339K50.4Low47.9Very low162 Ų162139 Ų13970%0.70475%0.745SS**  trans-39.3123.9158.7-91.6171162.1-171.30110.2E341K339-E341 VanDerWaalsContact C-N 3.34Å; K339-E341 HydrophobicContact CB-CG 4.31Å; K339-E341 HydrophobicContact CD-CG 3.99Å; K339-E341 WeakPolarHBondContact CD-OE1 3.39Å; K339-E341 WeakPolarHBondContact CE-OE1 3.49Å; K339-E341 HydrophobicContact CG-CG 4.42Å; K339-E341 IonicContact NZ-OE1 2.68Å; K339-E341 PolarHBondContact NZ-OE1 2.71Å; K339-E341 PolarHBondContact O-N 3.39Å
340P47.4Very low47.9Very low127 Ų127144.1 Ų144.183%0.82577%0.77SS**  trans-85.987.614731.1-20000106.4A338 A342A338-P340 WeakPolarHBondContact O-CD 3.47Å; P340-A342 PolarHBondContact O-N 3.18Å; P340-A342 VanDerWaalsContact O-N 3.08Å
341E52.2Low48Very low142 Ų142141.4 Ų141.466%0.66477%0.773SS**  trans-66.1105.5161.6-83.7179.4178.900107.9K339 E343K339-E341 VanDerWaalsContact C-N 3.34Å; K339-E341 HydrophobicContact CB-CG 4.31Å; K339-E341 HydrophobicContact CD-CG 3.99Å; K339-E341 WeakPolarHBondContact CD-OE1 3.39Å; K339-E341 WeakPolarHBondContact CE-OE1 3.49Å; K339-E341 HydrophobicContact CG-CG 4.42Å; K339-E341 IonicContact NZ-OE1 2.68Å; K339-E341 PolarHBondContact NZ-OE1 2.71Å; K339-E341 PolarHBondContact O-N 3.39Å; E341-E343 PolarHBondContact O-N 3.19Å
342A48.9Very low48.3Very low90 Ų90144.4 Ų144.474%0.74481%0.809SS**  trans22.889.214000000117.3P340P340-A342 PolarHBondContact O-N 3.18Å; P340-A342 VanDerWaalsContact O-N 3.08Å
343E46.3Very low48.3Very low202 Ų202147.6 Ų147.694%0.94483%0.828SS**  trans-109.478.8145.1-79.8-173.8162.500108.8E341E341-E343 PolarHBondContact O-N 3.19Å
344Q51Low48.6Very low184 Ų184146.2 Ų146.286%0.8683%0.831SS**  trans-95.598.1156.1-86.5177.7-24.400107.5
345Q53Low49Very low195 Ų195148.8 Ų148.891%0.91184%0.842SS**  trans-168.5133.1145.7-116162-8.400113.7
346A46.5Very low49.3Very low86 Ų86147.3 Ų147.371%0.71184%0.843SS**  trans75.580.6157.200000118.5
347C44.7Very low49.8Very low144 Ų144147.3 Ų147.397%0.97385%0.847SS**  trans-125.387.2138-83.70000108.2
348S49.4Very low50.3Low95 Ų95145.1 Ų145.166%0.66485%0.847SS**  trans-128.8135.7162.444.80000108.9
349N47.7Very low50.7Low154 Ų154149.8 Ų149.882%0.82486%0.861SS**  trans89.588.6165.5-53.6-18.7000117.5
350I57.8Low50.7Low171 Ų171148.8 Ų148.888%0.87787%0.873SS**  trans-120.9104.6139.7-60.9176.9000106.4
351N56.5Low51Low172 Ų172150.7 Ų150.792%0.9288%0.877SS**  trans-140.7105.4159.8-103.7-7.6000105.9
352A57.6Low50.9Low173 Ų173151.5 Ų151.5100%1.4390%0.896SS**  trans-154.40158.200000107.3

Retrieved 352 of 352 residues in 143 ms (Link to these results)