A0A096NCS1_PAPAN Loading...

F-box protein 16

AlphaFold DB (F6S8B2), UniProt , Accession A0A096NCS1, Species PAPAN (Papio anubis, Olive baboon), Gene FBXO16, Length 316 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.8Very low47Very low251 Ų251155.4 Ų155.4100%1.23685%0.854SS**  0140.20-107.9171.7175.700108.4
2M39.1Very low47.6Very low175 Ų175147 Ų14786%0.86283%0.83SS**PPolyproline II helixtrans-59.3147-157.4-82.8145.3166.300117.4
3A45.3Very low47.8Very low103 Ų103145.8 Ų145.885%0.85183%0.831SS**PPolyproline II helixtrans-68.9134.7162.200000110.9
4F48.7Very low48.4Very low203 Ų203148.8 Ų148.889%0.8983%0.83SS**PPolyproline II helixtrans-101.2117.2170.3-83.9-89.2000109.8
5A48.7Very low48.5Very low87 Ų87150.1 Ų150.172%0.71983%0.831SS**PPolyproline II helixtrans-76.7153.2170.400000110.9
6P48.2Very low48.8Very low115 Ų115148.9 Ų148.975%0.74782%0.817SS**PPolyproline II helixtrans-68.4148179.1-1226.9000111.7K8P6-K8 PolarHBondContact O-N 3.11Å
7P52Low49.2Very low127 Ų127145.5 Ų145.583%0.82580%0.801SS**PPolyproline II helixtrans-67.1134.2-179.226.3-31.4000111.5N9P7-N9 PolarHBondContact O-N 3.05Å
8K47.7Very low49.5Very low188 Ų188145.7 Ų145.782%0.81779%0.793SS**  trans-74.1106.8174.8-66.1177.3-179.6176.60109.1P6 L10P6-K8 PolarHBondContact O-N 3.11Å; K8-L10 PolarHBondContact O-N 3.26Å
9N42.6Very low49.5Very low157 Ų157145.8 Ų145.884%0.8479%0.789SS**  trans-69.8110167-131.9-54.7000108P7P7-N9 PolarHBondContact O-N 3.05Å
10L50.4Low49.6Very low149 Ų149141.7 Ų141.778%0.7877%0.772SS**  trans-102.28.6-175.4-82.1170.5000114K8K8-L10 PolarHBondContact O-N 3.26Å
11D53.4Low49.5Very low154 Ų154139.6 Ų139.682%0.82476%0.764SS**  trans-114.170.7179.3-74-52.4000111.7
12G54.8Low49.9Very low55 Ų55137.8 Ų137.857%0.56774%0.744SS**SBendtrans-93.3146.8157.900000109.9K14G12-K14 PolarHBondContact O-N 3.47Å
13P49.2Very low50.6Low131 Ų131133.3 Ų133.385%0.85173%0.726SS**  trans-56118.817921.4-29.9000109.2M15P13-M15 PolarHBondContact O-N 2.88Å
14K56.2Low51Low188 Ų188132.7 Ų132.782%0.81771%0.714SS**  trans-46.8108.1174.4-78.7176.8178.4172.20108.2G12 Q16G12-K14 PolarHBondContact O-N 3.47Å; K14-Q16 PolarHBondContact O-N 3.46Å
15M50.5Low51.2Low169 Ų169130.2 Ų130.283%0.83371%0.709SS**  trans-63.883.2170.8-129.7179.677.300107P13 T17P13-M15 PolarHBondContact O-N 2.88Å; M15-T17 VanDerWaalsContact C-N 3.28Å; M15-T17 PolarHBondContact O-N 3.14Å
16Q53.6Low51.5Low131 Ų131132.5 Ų132.561%0.61271%0.709SS**  trans-70.596.6172.3-68-146.58.500106.6K14 K18K14-Q16 PolarHBondContact O-N 3.46Å; Q16-K18 HydrophobicContact CB-CD 4.38Å; Q16-K18 HydrophobicContact CB-CG 3.82Å; Q16-K18 PolarHBondContact O-N 2.89Å
17T55.4Low52.1Low90 Ų90130.6 Ų130.655%0.55269%0.69SS**  trans-69.374.6170.2-53.80000107.3M15 M19 S20M15-T17 VanDerWaalsContact C-N 3.28Å; M15-T17 PolarHBondContact O-N 3.14Å; T17-M19 PolarHBondContact O-N 3.31Å; T17-S20 PolarHBondContact O-OG 3.26Å
18K55.3Low52.7Low150 Ų150131.6 Ų131.665%0.65268%0.683SS**THydrogen-bonded Turntrans-76.5-9.3-177.1-67.6-174.4176.2-178.50113.4Q16Q16-K18 HydrophobicContact CB-CD 4.38Å; Q16-K18 HydrophobicContact CB-CG 3.82Å; Q16-K18 PolarHBondContact O-N 2.89Å
19M48.9Very low53.7Low147 Ų147127.2 Ų127.272%0.72467%0.668SS**THydrogen-bonded Turntrans-105.6-1.8-174.5-63.7-61.8-174.700113.9T17 T21 W22T17-M19 PolarHBondContact O-N 3.31Å; M19-T21 PolarHBondContact O-N 3.44Å; M19-W22 PolarHBondContact O-N 3.48Å
20S51Low55.1Low64 Ų64124 Ų12445%0.44865%0.651SS.*G310 helixtrans-66.6-21.3178.149.90000113T17 W22 T23T17-S20 PolarHBondContact O-OG 3.26Å; S20-W22 PolarHBondContact O-N 3.46Å; S20-W22 VanDerWaalsContact O-N 3.15Å; S20-T23 WeakPolarHBondContact O-CB 3.49Å; S20-T23 PolarHBondContact O-N 3.16Å; S20-T23 PolarHBondContact O-OG1 3.43Å
21T48.7Very low56.2Low97 Ų97121.1 Ų121.160%0.59564%0.636SS**G310 helixtrans-57.9-24.5174.1-41.60000113M19M19-T21 PolarHBondContact O-N 3.44Å
22W49.1Very low57.4Low214 Ų214117.9 Ų117.981%0.81162%0.619SS**G310 helixtrans-90.2-0.2178.8-71.1105.6000114.1M19 S20 P24M19-W22 PolarHBondContact O-N 3.48Å; S20-W22 PolarHBondContact O-N 3.46Å; S20-W22 VanDerWaalsContact O-N 3.15Å; W22-P24 WeakPolarHBondContact O-CD 3.49Å
23T53.8Low58.6Low80 Ų80122.6 Ų122.649%0.49162%0.62SS.*  trans-79.8101.5175.1-36.40000107.7S20 L25S20-T23 WeakPolarHBondContact O-CB 3.49Å; S20-T23 PolarHBondContact O-N 3.16Å; S20-T23 PolarHBondContact O-OG1 3.43Å; T23-L25 HydrophobicContact CG2-CD1 3.63Å; T23-L25 HydrophobicContact CG2-CG 4.01Å; T23-L25 PolarHBondContact O-N 3.42Å
24P53Low60.3Low91 Ų91119.3 Ų119.359%0.59159%0.592SS**THydrogen-bonded Turntrans-8534.2-165.633.6-24.7000110.9W22 N26 L30W22-P24 WeakPolarHBondContact O-CD 3.49Å; P24-N26 VanDerWaalsContact C-N 3.25Å; P24-N26 PolarHBondContact O-N 2.99Å; P24-L30 HydrophobicContact CB-CD1 4.41Å
25L53Low61.7Low151 Ų151115.6 Ų115.679%0.79158%0.581SS**THydrogen-bonded Turntrans-77.5-12.7-173.6-75.1168.1000112.5T23T23-L25 HydrophobicContact CG2-CD1 3.63Å; T23-L25 HydrophobicContact CG2-CG 4.01Å; T23-L25 PolarHBondContact O-N 3.42Å
26N54.8Low63.6Low134 Ų134116 Ų11672%0.71758%0.578SS**SBendtrans-165.251.7171.9-143-20000113.3P24 Q28P24-N26 VanDerWaalsContact C-N 3.25Å; P24-N26 PolarHBondContact O-N 2.99Å; N26-Q28 PolarHBondContact O-N 3.31Å; N26-Q28 VanDerWaalsContact O-N 3.17Å
27H61.1Low65.4Low76 Ų76113.6 Ų113.635%0.35256%0.564SS.*  trans-80.5100.7179.8-150.8-51.2000110.1L29 L30H27-L29 VanDerWaalsContact CE1-CD1 3.41Å; H27-L29 WeakPolarHBondContact CE1-CD1 3.46Å; H27-L29 WeakPolarHBondContact ND1-CB 3.4Å; H27-L29 PolarHBondContact ND1-N 3.35Å; H27-L29 PolarHBondContact O-N 3.47Å; H27-L29 VanDerWaalsContact O-N 3.13Å; H27-L30 HydrophobicContact CB-CB 4.44Å; H27-L30 HydrophobicContact CB-CD1 4.07Å; H27-L30 HydrophobicContact CB-CG 4.13Å; H27-L30 WeakPolarHBondContact O-CB 3.4Å; H27-L30 PolarHBondContact O-N 3.11Å
28Q64.1Low67.2Low147 Ų147112.7 Ų112.769%0.68756%0.558SS**Hα-helixtrans-49.1-40.3178.7-72.4176.7-9.500112.5N26 L30 N31 D32N26-Q28 PolarHBondContact O-N 3.31Å; N26-Q28 VanDerWaalsContact O-N 3.17Å; Q28-L30 VanDerWaalsContact C-N 3.28Å; Q28-L30 PolarHBondContact O-N 3.47Å; Q28-N31 WeakPolarHBondContact O-CB 3.26Å; Q28-N31 PolarHBondContact O-N 3.14Å; Q28-N31 VanDerWaalsContact O-N 3.08Å; Q28-D32 PolarHBondContact O-N 3.44Å
29L69.3Low69Low96 Ų96110 Ų11050%0.50355%0.551SS.*Hα-helixtrans-59.3-30.4176-57.1-177.7000115H27 R33H27-L29 VanDerWaalsContact CE1-CD1 3.41Å; H27-L29 WeakPolarHBondContact CE1-CD1 3.46Å; H27-L29 WeakPolarHBondContact ND1-CB 3.4Å; H27-L29 PolarHBondContact ND1-N 3.35Å; H27-L29 PolarHBondContact O-N 3.47Å; H27-L29 VanDerWaalsContact O-N 3.13Å; L29-R33 WeakPolarHBondContact O-CB 3.23Å; L29-R33 WeakPolarHBondContact O-CD 3.17Å; L29-R33 WeakPolarHBondContact O-CG 3.14Å; L29-R33 PolarHBondContact O-N 3.38Å
30L71.3Confident71.2Confident90 Ų90107 Ų10747%0.47154%0.544SS..Hα-helixtrans-73-39.4176-73.2177.3000110.7P24 H27 Q28 R33 F34P24-L30 HydrophobicContact CB-CD1 4.41Å; H27-L30 HydrophobicContact CB-CB 4.44Å; H27-L30 HydrophobicContact CB-CD1 4.07Å; H27-L30 HydrophobicContact CB-CG 4.13Å; H27-L30 WeakPolarHBondContact O-CB 3.4Å; H27-L30 PolarHBondContact O-N 3.11Å; Q28-L30 VanDerWaalsContact C-N 3.28Å; Q28-L30 PolarHBondContact O-N 3.47Å; L30-R33 PolarHBondContact O-N 3.38Å; L30-F34 WeakPolarHBondContact O-CB 3.44Å; L30-F34 PolarHBondContact O-N 3.21Å
31N73.8Confident73.2Confident88 Ų88108.3 Ų108.347%0.47154%0.543SS..Hα-helixtrans-64.3-47.7175.7-64.2-22.7000110.6Q28 R33 F34 D35Q28-N31 WeakPolarHBondContact O-CB 3.26Å; Q28-N31 PolarHBondContact O-N 3.14Å; Q28-N31 VanDerWaalsContact O-N 3.08Å; N31-R33 PolarHBondContact O-N 3.31Å; N31-F34 WeakPolarHBondContact O-CB 3.43Å; N31-F34 PolarHBondContact O-N 3.03Å; N31-F34 VanDerWaalsContact O-N 3.09Å; N31-D35 PolarHBondContact O-N 3.35Å
32D77.6Confident75.3Confident86 Ų86107.3 Ų107.346%0.4653%0.528SS..Hα-helixtrans-60.4-31.9177.9-66.2-19.8000113.1Q28 K36Q28-D32 PolarHBondContact O-N 3.44Å; D32-K36 WeakPolarHBondContact O-CG 3.44Å
33R80.5Confident77.5Confident155 Ų155104.3 Ų104.359%0.58552%0.517SS*.Hα-helixtrans-77.1-42.3175.3-73.9172.6-173.7-144.72.6111.3L29 L30 N31 D35 K36 W37L29-R33 WeakPolarHBondContact O-CB 3.23Å; L29-R33 WeakPolarHBondContact O-CD 3.17Å; L29-R33 WeakPolarHBondContact O-CG 3.14Å; L29-R33 PolarHBondContact O-N 3.38Å; L30-R33 PolarHBondContact O-N 3.38Å; N31-R33 PolarHBondContact O-N 3.31Å; R33-D35 VanDerWaalsContact C-N 3.25Å; R33-D35 PolarHBondContact O-N 3.26Å; R33-K36 PolarHBondContact O-N 2.87Å; R33-W37 HydrophobicContact CB-CZ2 4.47Å; R33-W37 PolarHBondContact O-N 3.29Å; R33-W37 PolarHBondContact O-NE1 3.41Å
34F85.1Confident79.4Confident62 Ų62110.3 Ų110.327%0.27253%0.531SS..Hα-helixtrans-58.5-40.2177.6-170-95.3000111.5L30 N31 K36 W37 R42 L46L30-F34 WeakPolarHBondContact O-CB 3.44Å; L30-F34 PolarHBondContact O-N 3.21Å; N31-F34 WeakPolarHBondContact O-CB 3.43Å; N31-F34 PolarHBondContact O-N 3.03Å; N31-F34 VanDerWaalsContact O-N 3.09Å; F34-K36 PolarHBondContact O-N 3.42Å; F34-W37 HydrophobicContact CB-CE3 4.43Å; F34-W37 AromaticContact CD2-CE3 3.49Å; F34-W37 HydrophobicContact CD2-CE3 3.49Å; F34-W37 VanDerWaalsContact CD2-CE3 3.49Å; F34-W37 AromaticContact CD2-CZ3 3.52Å; F34-W37 HydrophobicContact CD2-CZ3 3.52Å; F34-W37 HydrophobicContact CE2-CE3 4.08Å; F34-W37 HydrophobicContact CE2-CZ3 4.15Å; F34-W37 HydrophobicContact CG-CE3 4.27Å; F34-W37 WeakPolarHBondContact O-CB 3.43Å; F34-W37 PolarHBondContact O-N 3.24Å; F34-W37 VanDerWaalsContact O-N 3.14Å; F34-R42 HydrophobicContact CD2-CG 4.38Å; F34-R42 HydrophobicContact CE1-CG 4.07Å; F34-R42 HydrophobicContact CE2-CB 4.12Å; F34-R42 HydrophobicContact CE2-CG 3.91Å; F34-R42 HydrophobicContact CZ-CB 3.9Å; F34-R42 HydrophobicContact CZ-CG 3.74Å; F34-R42 PolarHBondContact O-NE 2.94Å; F34-R42 PolarHBondContact O-NH2 3.24Å; F34-L46 HydrophobicContact CZ-CD1 4.42Å; F34-L46 HydrophobicContact CZ-CG 4.5Å
35D85.8Confident81.3Confident109 Ų109109.8 Ų109.858%0.58352%0.522SS*.THydrogen-bonded Turntrans-66.7-22177.4-73.3-22.6000113.5N31 R33 R42N31-D35 PolarHBondContact O-N 3.35Å; R33-D35 VanDerWaalsContact C-N 3.25Å; R33-D35 PolarHBondContact O-N 3.26Å; D35-R42 VanDerWaalsContact CA-NH2 3.3Å; D35-R42 PolarHBondContact O-NH2 2.87Å
36K90.4Very high83.2Confident178 Ų178106.7 Ų106.777%0.77451%0.506SS*.THydrogen-bonded Turntrans-91.3-10.4175.8-65.4174.4-172.8-178.80113.6D32 R33 F34D32-K36 WeakPolarHBondContact O-CG 3.44Å; R33-K36 PolarHBondContact O-N 2.87Å; F34-K36 PolarHBondContact O-N 3.42Å
37W91Very high85Confident81 Ų81103.7 Ų103.731%0.30749%0.492SS..SBendtrans-74.9151.1179.4-66.5-11.6000112.6R33 F34 Q41 R42 I45R33-W37 HydrophobicContact CB-CZ2 4.47Å; R33-W37 PolarHBondContact O-N 3.29Å; R33-W37 PolarHBondContact O-NE1 3.41Å; F34-W37 HydrophobicContact CB-CE3 4.43Å; F34-W37 AromaticContact CD2-CE3 3.49Å; F34-W37 HydrophobicContact CD2-CE3 3.49Å; F34-W37 VanDerWaalsContact CD2-CE3 3.49Å; F34-W37 AromaticContact CD2-CZ3 3.52Å; F34-W37 HydrophobicContact CD2-CZ3 3.52Å; F34-W37 HydrophobicContact CE2-CE3 4.08Å; F34-W37 HydrophobicContact CE2-CZ3 4.15Å; F34-W37 HydrophobicContact CG-CE3 4.27Å; F34-W37 WeakPolarHBondContact O-CB 3.43Å; F34-W37 PolarHBondContact O-N 3.24Å; F34-W37 VanDerWaalsContact O-N 3.14Å; W37-Q41 HydrophobicContact CB-CB 4.03Å; W37-Q41 HydrophobicContact CG-CB 4.46Å; W37-R42 HydrophobicContact CB-CG 3.89Å; W37-R42 PolarHBondContact O-NE 3.17Å; W37-R42 PolarHBondContact O-NH2 3.34Å; W37-I45 HydrophobicContact CE3-CG1 4.4Å; W37-I45 HydrophobicContact CH2-CG1 4.24Å; W37-I45 HydrophobicContact CZ3-CB 4.09Å; W37-I45 HydrophobicContact CZ3-CG1 3.76Å; W37-I45 HydrophobicContact CZ3-CG2 4.04Å
38T93.9Very high86.6Confident70 Ų70101.4 Ų101.443%0.42949%0.489SS..  trans-70.7160.2172.9680000111.3S40 Q41 R42T38-S40 PolarHBondContact O-N 3.17Å; T38-S40 PolarHBondContact OG1-OG 3.23Å; T38-S40 VanDerWaalsContact OG1-OG 3.04Å; T38-Q41 PolarHBondContact O-N 3.19Å; T38-Q41 VanDerWaalsContact O-N 3.12Å; T38-Q41 VanDerWaalsContact OG1-CG 3.29Å; T38-Q41 WeakPolarHBondContact OG1-CG 3.13Å; T38-Q41 PolarHBondContact OG1-N 3Å; T38-Q41 PolarHBondContact OG1-OE1 3.41Å; T38-R42 WeakPolarHBondContact O-CG 3.39Å; T38-R42 PolarHBondContact O-N 3.2Å
39D93.1Very high88Confident94 Ų9499.3 Ų99.350%0.50348%0.482SS..Hα-helixtrans-56.6-38.3177.1-172.166.6000112.2R42 R43D39-R42 PolarHBondContact O-N 3.49Å; D39-R43 WeakPolarHBondContact O-CB 3.43Å; D39-R43 VanDerWaalsContact O-CG 3.29Å; D39-R43 WeakPolarHBondContact O-CG 3.2Å; D39-R43 PolarHBondContact O-N 3.14Å; D39-R43 IonicContact OD1-CZ 2.69Å; D39-R43 IonicContact OD1-NE 3.68Å; D39-R43 IonicContact OD1-NH2 2.65Å; D39-R43 PolarHBondContact OD1-NH2 3.16Å; D39-R43 IonicContact OD2-CZ 3.23Å; D39-R43 VanDerWaalsContact OD2-CZ 3.26Å; D39-R43 IonicContact OD2-NE 2.7Å; D39-R43 PolarHBondContact OD2-NE 3.31Å; D39-R43 IonicContact OD2-NH2 3.18Å; D39-R43 PolarHBondContact OD2-NH2 3.22Å
40S94.8Very high89.2Confident83 Ų8398 Ų9858%0.5848%0.476SS*.Hα-helixtrans-65.7-41.5176.7640000112.8T38 R44T38-S40 PolarHBondContact O-N 3.17Å; T38-S40 PolarHBondContact OG1-OG 3.23Å; T38-S40 VanDerWaalsContact OG1-OG 3.04Å; S40-R44 WeakPolarHBondContact O-CB 3.33Å; S40-R44 PolarHBondContact O-N 2.95Å
41Q93.1Very high90.3Very high93 Ų93100.6 Ų100.644%0.43549%0.485SS..Hα-helixtrans-65.7-45176.4-72.7170-25.800111.4W37 T38 R44 I45W37-Q41 HydrophobicContact CB-CB 4.03Å; W37-Q41 HydrophobicContact CG-CB 4.46Å; T38-Q41 PolarHBondContact O-N 3.19Å; T38-Q41 VanDerWaalsContact O-N 3.12Å; T38-Q41 VanDerWaalsContact OG1-CG 3.29Å; T38-Q41 WeakPolarHBondContact OG1-CG 3.13Å; T38-Q41 PolarHBondContact OG1-N 3Å; T38-Q41 PolarHBondContact OG1-OE1 3.41Å; Q41-R44 PolarHBondContact O-N 3.21Å; Q41-I45 PolarHBondContact O-N 3.4Å
42R93.5Very high91.3Very high75 Ų75107.1 Ų107.128%0.28350%0.503SS..Hα-helixtrans-59.6-48.6176.2-69.3-179-175.8170.16.6111.3F34 D35 W37 T38 D39 R44 I45 L46F34-R42 HydrophobicContact CD2-CG 4.38Å; F34-R42 HydrophobicContact CE1-CG 4.07Å; F34-R42 HydrophobicContact CE2-CB 4.12Å; F34-R42 HydrophobicContact CE2-CG 3.91Å; F34-R42 HydrophobicContact CZ-CB 3.9Å; F34-R42 HydrophobicContact CZ-CG 3.74Å; F34-R42 PolarHBondContact O-NE 2.94Å; F34-R42 PolarHBondContact O-NH2 3.24Å; D35-R42 VanDerWaalsContact CA-NH2 3.3Å; D35-R42 PolarHBondContact O-NH2 2.87Å; W37-R42 HydrophobicContact CB-CG 3.89Å; W37-R42 PolarHBondContact O-NE 3.17Å; W37-R42 PolarHBondContact O-NH2 3.34Å; T38-R42 WeakPolarHBondContact O-CG 3.39Å; T38-R42 PolarHBondContact O-N 3.2Å; D39-R42 PolarHBondContact O-N 3.49Å; R42-R44 VanDerWaalsContact C-N 3.35Å; R42-R44 PolarHBondContact O-N 3.47Å; R42-I45 PolarHBondContact O-N 3.27Å; R42-L46 WeakPolarHBondContact O-CB 3.2Å; R42-L46 VanDerWaalsContact O-CG 3.26Å; R42-L46 WeakPolarHBondContact O-CG 3.31Å; R42-L46 PolarHBondContact O-N 3.17Å
43R93.7Very high92.2Very high151 Ų151104.8 Ų104.857%0.5749%0.493SS*.Hα-helixtrans-57.9-46.5175.8-74.1-179.7-162.5-75.4-12.5111.6D39 I45 L46 T47D39-R43 WeakPolarHBondContact O-CB 3.43Å; D39-R43 VanDerWaalsContact O-CG 3.29Å; D39-R43 WeakPolarHBondContact O-CG 3.2Å; D39-R43 PolarHBondContact O-N 3.14Å; D39-R43 IonicContact OD1-CZ 2.69Å; D39-R43 IonicContact OD1-NE 3.68Å; D39-R43 IonicContact OD1-NH2 2.65Å; D39-R43 PolarHBondContact OD1-NH2 3.16Å; D39-R43 IonicContact OD2-CZ 3.23Å; D39-R43 VanDerWaalsContact OD2-CZ 3.26Å; D39-R43 IonicContact OD2-NE 2.7Å; D39-R43 PolarHBondContact OD2-NE 3.31Å; D39-R43 IonicContact OD2-NH2 3.18Å; D39-R43 PolarHBondContact OD2-NH2 3.22Å; R43-I45 PolarHBondContact O-N 3.25Å; R43-L46 PolarHBondContact O-N 2.78Å; R43-T47 WeakPolarHBondContact O-CB 3.32Å; R43-T47 PolarHBondContact O-N 3.44Å; R43-T47 PolarHBondContact O-OG1 2.95Å
44R94.8Very high92.9Very high207 Ų207100 Ų10078%0.78148%0.484SS*.Hα-helixtrans-60.8-44.8-179.3-174.5173.9177.1159.5-0.4112.5S40 Q41 R42 G48S40-R44 WeakPolarHBondContact O-CB 3.33Å; S40-R44 PolarHBondContact O-N 2.95Å; Q41-R44 PolarHBondContact O-N 3.21Å; R42-R44 VanDerWaalsContact C-N 3.35Å; R42-R44 PolarHBondContact O-N 3.47Å; R44-G48 PolarHBondContact O-N 3.16Å
45I92.7Very high93.4Very high79 Ų79102.4 Ų102.441%0.40550%0.499SS..Hα-helixtrans-67.5-43.2177.5-69.6-68.4000111.3W37 Q41 R42 R43 T47 G48 L49W37-I45 HydrophobicContact CE3-CG1 4.4Å; W37-I45 HydrophobicContact CH2-CG1 4.24Å; W37-I45 HydrophobicContact CZ3-CB 4.09Å; W37-I45 HydrophobicContact CZ3-CG1 3.76Å; W37-I45 HydrophobicContact CZ3-CG2 4.04Å; Q41-I45 PolarHBondContact O-N 3.4Å; R42-I45 PolarHBondContact O-N 3.27Å; R43-I45 PolarHBondContact O-N 3.25Å; I45-T47 PolarHBondContact O-N 3.05Å; I45-G48 PolarHBondContact O-N 2.87Å; I45-L49 HydrophobicContact CG2-CD1 3.88Å; I45-L49 HydrophobicContact CG2-CG 4.26Å; I45-L49 WeakPolarHBondContact O-CB 2.95Å; I45-L49 VanDerWaalsContact O-CG 3.3Å; I45-L49 WeakPolarHBondContact O-CG 3.44Å; I45-L49 PolarHBondContact O-N 3.1Å
46L92.6Very high93.9Very high87 Ų87101.1 Ų101.146%0.45550%0.498SS..Hα-helixtrans-60.3-44.6176.7-72.5171.6000111.8F34 R42 R43 L49 L50F34-L46 HydrophobicContact CZ-CD1 4.42Å; F34-L46 HydrophobicContact CZ-CG 4.5Å; R42-L46 WeakPolarHBondContact O-CB 3.2Å; R42-L46 VanDerWaalsContact O-CG 3.26Å; R42-L46 WeakPolarHBondContact O-CG 3.31Å; R42-L46 PolarHBondContact O-N 3.17Å; R43-L46 PolarHBondContact O-N 2.78Å; L46-L49 PolarHBondContact O-N 2.99Å; L46-L50 WeakPolarHBondContact O-CB 3.45Å; L46-L50 VanDerWaalsContact O-CG 3.3Å; L46-L50 WeakPolarHBondContact O-CG 3.37Å; L46-L50 PolarHBondContact O-N 3.12Å
47T93.6Very high94.2Very high71 Ų7197.4 Ų97.444%0.43648%0.484SS..Hα-helixtrans-59.9-51.1174.8-60.60000111R43 I45 L49 L50 E51R43-T47 WeakPolarHBondContact O-CB 3.32Å; R43-T47 PolarHBondContact O-N 3.44Å; R43-T47 PolarHBondContact O-OG1 2.95Å; I45-T47 PolarHBondContact O-N 3.05Å; T47-L49 VanDerWaalsContact C-N 3.3Å; T47-L49 PolarHBondContact O-N 2.92Å; T47-L50 PolarHBondContact O-N 2.81Å; T47-L50 VanDerWaalsContact O-N 3.14Å; T47-E51 HydrophobicContact CG2-CG 4.34Å; T47-E51 WeakPolarHBondContact CG2-OE1 3.12Å; T47-E51 WeakPolarHBondContact O-CG 3.43Å; T47-E51 PolarHBondContact O-N 3.05Å
48G94.8Very high94.4Very high28 Ų2897.1 Ų97.129%0.28949%0.485SS..Hα-helixtrans-63.4-32.1-179.700000113.8R44 I45 R52R44-G48 PolarHBondContact O-N 3.16Å; I45-G48 PolarHBondContact O-N 2.87Å; G48-R52 WeakPolarHBondContact O-CG 3.14Å
49L92.5Very high94.4Very high103 Ų10399.4 Ų99.454%0.53949%0.49SS..Hα-helixtrans-68.7-46172.6-73.4172.8000111.4I45 L46 T47 E51 R52 C53I45-L49 HydrophobicContact CG2-CD1 3.88Å; I45-L49 HydrophobicContact CG2-CG 4.26Å; I45-L49 WeakPolarHBondContact O-CB 2.95Å; I45-L49 VanDerWaalsContact O-CG 3.3Å; I45-L49 WeakPolarHBondContact O-CG 3.44Å; I45-L49 PolarHBondContact O-N 3.1Å; L46-L49 PolarHBondContact O-N 2.99Å; T47-L49 VanDerWaalsContact C-N 3.3Å; T47-L49 PolarHBondContact O-N 2.92Å; L49-E51 PolarHBondContact O-N 2.84Å; L49-R52 PolarHBondContact O-N 3.39Å; L49-C53 PolarHBondContact O-N 3.01Å; L49-C53 PolarHBondContact O-SG 3.23Å
50L94.2Very high94.5Very high69 Ų69100.1 Ų100.136%0.36149%0.488SS..Hα-helixtrans-64.5-37.7179.7-73.3170.6000112.4L46 T47 R52 C53 Q58 C61L46-L50 WeakPolarHBondContact O-CB 3.45Å; L46-L50 VanDerWaalsContact O-CG 3.3Å; L46-L50 WeakPolarHBondContact O-CG 3.37Å; L46-L50 PolarHBondContact O-N 3.12Å; T47-L50 PolarHBondContact O-N 2.81Å; T47-L50 VanDerWaalsContact O-N 3.14Å; L50-R52 PolarHBondContact O-N 2.86Å; L50-C53 WeakPolarHBondContact O-CB 3.43Å; L50-C53 PolarHBondContact O-N 3.28Å; L50-C53 VanDerWaalsContact O-N 3.15Å; L50-Q58 PolarHBondContact O-NE2 3.27Å; L50-C61 HydrophobicContact CD2-CB 4.05Å
51E94.7Very high94.4Very high143 Ų14398 Ų9867%0.66847%0.473SS*.Hα-helixtrans-63.8-27.8177-75.5172.2172.100113.1T47 L49T47-E51 HydrophobicContact CG2-CG 4.34Å; T47-E51 WeakPolarHBondContact CG2-OE1 3.12Å; T47-E51 WeakPolarHBondContact O-CG 3.43Å; T47-E51 PolarHBondContact O-N 3.05Å; L49-E51 PolarHBondContact O-N 2.84Å
52R94.8Very high94.2Very high225 Ų22596.5 Ų96.585%0.84947%0.472SS*.THydrogen-bonded Turntrans-87.1-10.3176.8-64.8-17972.4-176.63.4113.3G48 L49 L50G48-R52 WeakPolarHBondContact O-CG 3.14Å; L49-R52 PolarHBondContact O-N 3.39Å; L50-R52 PolarHBondContact O-N 2.86Å
53C95.8Very high94.1Very high38 Ų3899.3 Ų99.326%0.25748%0.483SS..SBendtrans-78.7145.7176.3-69.90000111.4L49 L50 Q57 Q58L49-C53 PolarHBondContact O-N 3.01Å; L49-C53 PolarHBondContact O-SG 3.23Å; L50-C53 WeakPolarHBondContact O-CB 3.43Å; L50-C53 PolarHBondContact O-N 3.28Å; L50-C53 VanDerWaalsContact O-N 3.15Å; C53-Q57 HydrophobicContact CB-CB 3.88Å; C53-Q58 HydrophobicContact CB-CG 3.89Å; C53-Q58 PolarHBondContact O-NE2 3.35Å
54S96.7Very high93.9Very high54 Ų5496.4 Ų96.438%0.37847%0.474SS..  trans-65.2160.4168.1680000111.6S56 Q57 Q58S54-S56 PolarHBondContact O-N 3.16Å; S54-S56 VanDerWaalsContact O-N 3.15Å; S54-S56 PolarHBondContact OG-OG 3.01Å; S54-Q57 WeakPolarHBondContact O-CB 3.48Å; S54-Q57 PolarHBondContact O-N 3.35Å; S54-Q57 WeakPolarHBondContact OG-CG 3.35Å; S54-Q57 PolarHBondContact OG-N 3.23Å; S54-Q57 PolarHBondContact OG-OE1 2.69Å; S54-Q58 WeakPolarHBondContact O-CG 3.42Å; S54-Q58 PolarHBondContact O-N 2.95Å
55L95.8Very high93.6Very high113 Ų11391.2 Ų91.259%0.59246%0.461SS*.Hα-helixtrans-54.7-36.2177-177.962.9000112.8K59L55-K59 HydrophobicContact CG-CD 4.45Å; L55-K59 WeakPolarHBondContact O-CB 3.21Å; L55-K59 VanDerWaalsContact O-CG 3.29Å; L55-K59 WeakPolarHBondContact O-CG 3.35Å; L55-K59 PolarHBondContact O-N 3.48Å
56S96.3Very high93.2Very high81 Ų8193.6 Ų93.657%0.56647%0.471SS*.Hα-helixtrans-65.1-41.2177.572.20000112.3S54 K59 F60S54-S56 PolarHBondContact O-N 3.16Å; S54-S56 VanDerWaalsContact O-N 3.15Å; S54-S56 PolarHBondContact OG-OG 3.01Å; S56-K59 PolarHBondContact O-N 2.92Å; S56-F60 PolarHBondContact O-N 2.65Å
57Q96.1Very high92.9Very high101 Ų10195.5 Ų95.547%0.47248%0.478SS..Hα-helixtrans-71.3-41.3177.7-71.4163.3-39.800111.2C53 S54 K59 F60 C61C53-Q57 HydrophobicContact CB-CB 3.88Å; S54-Q57 WeakPolarHBondContact O-CB 3.48Å; S54-Q57 PolarHBondContact O-N 3.35Å; S54-Q57 WeakPolarHBondContact OG-CG 3.35Å; S54-Q57 PolarHBondContact OG-N 3.23Å; S54-Q57 PolarHBondContact OG-OE1 2.69Å; Q57-K59 VanDerWaalsContact C-N 3.34Å; Q57-K59 PolarHBondContact O-N 3.4Å; Q57-F60 WeakPolarHBondContact O-CA 3.18Å; Q57-F60 WeakPolarHBondContact O-CB 3.43Å; Q57-F60 PolarHBondContact O-N 3.19Å; Q57-F60 VanDerWaalsContact O-N 3.13Å; Q57-C61 PolarHBondContact O-N 3.16Å; Q57-C61 PolarHBondContact O-SG 3.49Å
58Q94.4Very high92.3Very high74 Ų74100.5 Ų100.535%0.34649%0.493SS..Hα-helixtrans-60.1-43.6173.6-69.3177.6-6.300111.6L50 C53 S54 F60 C61 C62L50-Q58 PolarHBondContact O-NE2 3.27Å; C53-Q58 HydrophobicContact CB-CG 3.89Å; C53-Q58 PolarHBondContact O-NE2 3.35Å; S54-Q58 WeakPolarHBondContact O-CG 3.42Å; S54-Q58 PolarHBondContact O-N 2.95Å; Q58-F60 VanDerWaalsContact C-N 3.32Å; Q58-F60 PolarHBondContact O-N 3.47Å; Q58-C61 PolarHBondContact O-N 3.4Å; Q58-C62 PolarHBondContact O-N 3.28Å
59K94.3Very high91.5Very high119 Ų119104.2 Ų104.252%0.51751%0.505SS..Hα-helixtrans-60.7-40.1173.3-75.4175.8179.8-179.50112.1L55 S56 Q57 C62 R63L55-K59 HydrophobicContact CG-CD 4.45Å; L55-K59 WeakPolarHBondContact O-CB 3.21Å; L55-K59 VanDerWaalsContact O-CG 3.29Å; L55-K59 WeakPolarHBondContact O-CG 3.35Å; L55-K59 PolarHBondContact O-N 3.48Å; S56-K59 PolarHBondContact O-N 2.92Å; Q57-K59 VanDerWaalsContact C-N 3.34Å; Q57-K59 PolarHBondContact O-N 3.4Å; K59-C62 PolarHBondContact O-N 2.92Å; K59-R63 PolarHBondContact O-N 2.86Å
60F94.8Very high90.3Very high108 Ų108102.9 Ų102.947%0.47450%0.503SS..Hα-helixtrans-62.2-47.7174171.6-92.5000111.9S56 Q57 Q58 C62 R63 K64S56-F60 PolarHBondContact O-N 2.65Å; Q57-F60 WeakPolarHBondContact O-CA 3.18Å; Q57-F60 WeakPolarHBondContact O-CB 3.43Å; Q57-F60 PolarHBondContact O-N 3.19Å; Q57-F60 VanDerWaalsContact O-N 3.13Å; Q58-F60 VanDerWaalsContact C-N 3.32Å; Q58-F60 PolarHBondContact O-N 3.47Å; F60-C62 VanDerWaalsContact C-N 3.33Å; F60-C62 PolarHBondContact O-N 2.63Å; F60-R63 PolarHBondContact O-N 3.13Å; F60-K64 HydrophobicContact CD1-CG 4.41Å; F60-K64 HydrophobicContact CE1-CG 3.91Å; F60-K64 HydrophobicContact CE2-CG 4.12Å; F60-K64 HydrophobicContact CZ-CD 4.31Å; F60-K64 HydrophobicContact CZ-CG 3.75Å; F60-K64 PolarHBondContact O-N 2.65Å
61C92.6Very high88.9Confident38 Ų38103.5 Ų103.526%0.25752%0.518SS..Hα-helixtrans-58.1-44.1175.7-68.10000111.6L50 Q57 Q58 R63 K64 L65L50-C61 HydrophobicContact CD2-CB 4.05Å; Q57-C61 PolarHBondContact O-N 3.16Å; Q57-C61 PolarHBondContact O-SG 3.49Å; Q58-C61 PolarHBondContact O-N 3.4Å; C61-R63 PolarHBondContact O-N 3.29Å; C61-K64 PolarHBondContact O-N 2.95Å; C61-L65 WeakPolarHBondContact O-CB 3.32Å; C61-L65 VanDerWaalsContact O-CG 3.3Å; C61-L65 WeakPolarHBondContact O-CG 3.26Å; C61-L65 PolarHBondContact O-N 3.02Å
62C89.9Confident87.2Confident62 Ų62105.2 Ų105.242%0.41953%0.526SS..Hα-helixtrans-56.3-47.7176.8-175.60000112Q58 K59 F60 L65 Q66Q58-C62 PolarHBondContact O-N 3.28Å; K59-C62 PolarHBondContact O-N 2.92Å; F60-C62 VanDerWaalsContact C-N 3.33Å; F60-C62 PolarHBondContact O-N 2.63Å; C62-L65 PolarHBondContact O-N 2.9Å; C62-Q66 WeakPolarHBondContact O-CG 3.4Å; C62-Q66 PolarHBondContact O-N 3.43Å
63R90.5Very high85.6Confident134 Ų13498.8 Ų98.851%0.50652%0.521SS..Hα-helixtrans-61.9-45.1176.4-69.8-172.3-63.6-102.12.1112.3K59 F60 C61 L65 Q66 E67K59-R63 PolarHBondContact O-N 2.86Å; F60-R63 PolarHBondContact O-N 3.13Å; C61-R63 PolarHBondContact O-N 3.29Å; R63-L65 VanDerWaalsContact C-N 3.32Å; R63-L65 PolarHBondContact O-N 2.95Å; R63-Q66 PolarHBondContact O-N 3.18Å; R63-E67 WeakPolarHBondContact O-CG 3.22Å; R63-E67 PolarHBondContact O-N 2.99Å
64K90.7Very high84.7Confident91 Ų91102 Ų10240%0.39654%0.535SS..Hα-helixtrans-65.1-35.3179.4-74.4-71.5162.4-139.70112.9F60 C61 E67 K68F60-K64 HydrophobicContact CD1-CG 4.41Å; F60-K64 HydrophobicContact CE1-CG 3.91Å; F60-K64 HydrophobicContact CE2-CG 4.12Å; F60-K64 HydrophobicContact CZ-CD 4.31Å; F60-K64 HydrophobicContact CZ-CG 3.75Å; F60-K64 PolarHBondContact O-N 2.65Å; C61-K64 PolarHBondContact O-N 2.95Å; K64-E67 IonicContact NZ-OE1 3.26Å; K64-E67 PolarHBondContact NZ-OE1 3.45Å; K64-E67 IonicContact NZ-OE2 2.94Å; K64-E67 PolarHBondContact NZ-OE2 3.41Å; K64-K68 WeakPolarHBondContact O-CG 3.45Å; K64-K68 PolarHBondContact O-N 3.05Å
65L87.9Confident84.3Confident97 Ų97101.4 Ų101.451%0.50853%0.528SS..Hα-helixtrans-67.5-43.7172.6-71.3170000111.2C61 C62 R63 E67 K68 I69C61-L65 WeakPolarHBondContact O-CB 3.32Å; C61-L65 VanDerWaalsContact O-CG 3.3Å; C61-L65 WeakPolarHBondContact O-CG 3.26Å; C61-L65 PolarHBondContact O-N 3.02Å; C62-L65 PolarHBondContact O-N 2.9Å; R63-L65 VanDerWaalsContact C-N 3.32Å; R63-L65 PolarHBondContact O-N 2.95Å; L65-E67 VanDerWaalsContact C-N 3.29Å; L65-E67 PolarHBondContact O-N 3.35Å; L65-K68 PolarHBondContact O-N 3.48Å; L65-I69 HydrophobicContact CB-CD1 4.3Å; L65-I69 VanDerWaalsContact O-CG1 3.28Å; L65-I69 WeakPolarHBondContact O-CG1 3.4Å; L65-I69 PolarHBondContact O-N 3.16Å
66Q84.1Confident84Confident130 Ų13098.9 Ų98.961%0.60751%0.512SS*.Hα-helixtrans-61.4-34.1176.6-74.7172.8-6.700113.1C62 R63 K68C62-Q66 WeakPolarHBondContact O-CG 3.4Å; C62-Q66 PolarHBondContact O-N 3.43Å; R63-Q66 PolarHBondContact O-N 3.18Å; Q66-K68 VanDerWaalsContact C-N 3.26Å; Q66-K68 PolarHBondContact O-N 3.27Å
67E85.7Confident83.8Confident127 Ų12795.4 Ų95.459%0.59349%0.488SS*.Hα-helixtrans-65.8-27.3173-71.8170.4-156.600113R63 K64 L65R63-E67 WeakPolarHBondContact O-CG 3.22Å; R63-E67 PolarHBondContact O-N 2.99Å; K64-E67 IonicContact NZ-OE1 3.26Å; K64-E67 PolarHBondContact NZ-OE1 3.45Å; K64-E67 IonicContact NZ-OE2 2.94Å; K64-E67 PolarHBondContact NZ-OE2 3.41Å; L65-E67 VanDerWaalsContact C-N 3.29Å; L65-E67 PolarHBondContact O-N 3.35Å
68K81.3Confident83.6Confident175 Ų17594.7 Ų94.776%0.76149%0.49SS*.Hα-helixtrans-97.3-25.7-175.3-66.8-66.6-178.5-177.10113.5K64 L65 Q66 P70K64-K68 WeakPolarHBondContact O-CG 3.45Å; K64-K68 PolarHBondContact O-N 3.05Å; L65-K68 PolarHBondContact O-N 3.48Å; Q66-K68 VanDerWaalsContact C-N 3.26Å; Q66-K68 PolarHBondContact O-N 3.27Å; K68-P70 WeakPolarHBondContact O-CD 3.38Å
69I77.5Confident83.4Confident107 Ų10797.7 Ų97.755%0.54950%0.502SS..SBendtrans-83.4117.9176.1-63.2163000107.3L65 A71L65-I69 HydrophobicContact CB-CD1 4.3Å; L65-I69 VanDerWaalsContact O-CG1 3.28Å; L65-I69 WeakPolarHBondContact O-CG1 3.4Å; L65-I69 PolarHBondContact O-N 3.16Å; I69-A71 PolarHBondContact O-N 2.98Å
70P69.2Low83.3Confident74 Ų7495 Ų9548%0.48149%0.493SS..  trans-56.3125.2179-21.931.5000110.8K68 E72 A73K68-P70 WeakPolarHBondContact O-CD 3.38Å; P70-E72 HydrophobicContact CB-CB 4.45Å; P70-E72 WeakPolarHBondContact CB-OE2 3.46Å; P70-E72 PolarHBondContact O-N 2.93Å; P70-E72 VanDerWaalsContact O-N 3.1Å; P70-A73 PolarHBondContact O-N 3.11Å
71A63.2Low83.3Confident83 Ų8394 Ų9469%0.68650%0.498SS*.G310 helixtrans-63.1-15176.100000112.3I69 A73 L74I69-A71 PolarHBondContact O-N 2.98Å; A71-A73 PolarHBondContact O-N 3.42Å; A71-A73 VanDerWaalsContact O-N 3.17Å; A71-L74 WeakPolarHBondContact O-CB 3.29Å; A71-L74 PolarHBondContact O-N 3.37Å; A71-L74 VanDerWaalsContact O-N 3.13Å
72E59.5Low83.4Confident178 Ų17898 Ų9883%0.83251%0.507SS*.G310 helixtrans-61-18.2176.7-62.5122.4-145.100113.9P70P70-E72 HydrophobicContact CB-CB 4.45Å; P70-E72 WeakPolarHBondContact CB-OE2 3.46Å; P70-E72 PolarHBondContact O-N 2.93Å; P70-E72 VanDerWaalsContact O-N 3.1Å
73A60.6Low83.7Confident91 Ų91100.3 Ų100.375%0.75252%0.519SS*.G310 helixtrans-98.88.3178.100000113.9P70 A71 D75P70-A73 PolarHBondContact O-N 3.11Å; A71-A73 PolarHBondContact O-N 3.42Å; A71-A73 VanDerWaalsContact O-N 3.17Å; A73-D75 PolarHBondContact O-N 2.79Å
74L77.1Confident84Confident104 Ų10498 Ų9855%0.54552%0.516SS..  trans-80.7121-179-163.863.3000111A71 F76 K79A71-L74 WeakPolarHBondContact O-CB 3.29Å; A71-L74 PolarHBondContact O-N 3.37Å; A71-L74 VanDerWaalsContact O-N 3.13Å; L74-F76 PolarHBondContact O-N 3.42Å; L74-K79 HydrophobicContact CD2-CD 4.37Å; L74-K79 HydrophobicContact CD2-CG 3.8Å; L74-K79 HydrophobicContact CG-CG 4.05Å
75D88Confident84.2Confident42 Ų4293.6 Ų93.623%0.22550%0.497CS..  trans-67.9101.4172.2-174.6-8.4000110.2A73 T77 T78 W107A73-D75 PolarHBondContact O-N 2.79Å; D75-T77 PolarHBondContact O-N 2.91Å; D75-T77 VanDerWaalsContact O-N 3.14Å; D75-T77 WeakPolarHBondContact OD1-CB 3.38Å; D75-T77 PolarHBondContact OD1-N 3.48Å; D75-T77 PolarHBondContact OD1-OG1 2.88Å; D75-T77 PolarHBondContact OD2-OG1 3.24Å; D75-T78 HydrophobicContact CB-CG2 4.02Å; D75-T78 PolarHBondContact O-N 3.37Å; D75-T78 VanDerWaalsContact O-N 3.07Å; D75-T78 PolarHBondContact O-OG1 3.5Å; D75-W107 WeakPolarHBondContact OD1-CZ2 3.38Å; D75-W107 PolarHBondContact OD1-NE1 2.88Å; D75-W107 PolarHBondContact OD2-NE1 3.22Å
76F90.4Very high84.6Confident61 Ų6189.9 Ų89.927%0.26848%0.477SS..G310 helixtrans-57.7-27.8-179.770.6-93.5000112.8L74 T78 K79 L80 I88 F89 W107L74-F76 PolarHBondContact O-N 3.42Å; F76-T78 PolarHBondContact O-N 2.85Å; F76-K79 PolarHBondContact O-N 3.4Å; F76-L80 HydrophobicContact CB-CD1 4.35Å; F76-L80 HydrophobicContact CD2-CD1 4.06Å; F76-L80 WeakPolarHBondContact O-CB 3.31Å; F76-L80 WeakPolarHBondContact O-CG 3.34Å; F76-L80 PolarHBondContact O-N 3.01Å; F76-I88 HydrophobicContact CD2-CD1 3.94Å; F76-I88 HydrophobicContact CE2-CB 4.25Å; F76-I88 HydrophobicContact CE2-CD1 3.88Å; F76-I88 HydrophobicContact CE2-CG2 4.08Å; F76-I88 HydrophobicContact CZ-CG2 4.04Å; F76-F89 HydrophobicContact CE2-CD2 4.22Å; F76-F89 AromaticContact CE2-CE2 3.81Å; F76-F89 HydrophobicContact CE2-CE2 3.81Å; F76-F89 HydrophobicContact CZ-CD2 4.03Å; F76-F89 AromaticContact CZ-CE2 3.46Å; F76-F89 HydrophobicContact CZ-CE2 3.46Å; F76-F89 VanDerWaalsContact CZ-CE2 3.46Å; F76-F89 HydrophobicContact CZ-CZ 4.38Å; F76-W107 HydrophobicContact CD1-CH2 4.36Å; F76-W107 HydrophobicContact CD1-CZ2 4.11Å; F76-W107 AromaticContact CE1-CH2 3.61Å; F76-W107 HydrophobicContact CE1-CH2 3.61Å; F76-W107 AromaticContact CE1-CZ2 3.67Å; F76-W107 HydrophobicContact CE1-CZ2 3.67Å; F76-W107 HydrophobicContact CZ-CH2 4.34Å; F76-W107 HydrophobicContact CZ-CZ2 4.38Å
77T93Very high85.1Confident8 Ų890.5 Ų90.55%0.04948%0.475CS..G310 helixtrans-67-22.5-17966.70000112.5D75 F89 H106 W107 L110D75-T77 PolarHBondContact O-N 2.91Å; D75-T77 VanDerWaalsContact O-N 3.14Å; D75-T77 WeakPolarHBondContact OD1-CB 3.38Å; D75-T77 PolarHBondContact OD1-N 3.48Å; D75-T77 PolarHBondContact OD1-OG1 2.88Å; D75-T77 PolarHBondContact OD2-OG1 3.24Å; T77-F89 HydrophobicContact CG2-CE2 3.68Å; T77-F89 HydrophobicContact CG2-CZ 4.12Å; T77-H106 PolarHBondContact OG1-CD2 2.94Å; T77-H106 PolarHBondContact OG1-NE2 3.22Å; T77-W107 HydrophobicContact CG2-CZ2 4.29Å; T77-W107 PolarHBondContact OG1-NE1 3.02Å; T77-L110 HydrophobicContact CG2-CD1 3.81Å
78T90.1Very high85.6Confident86 Ų8687.6 Ų87.653%0.52846%0.463SS..G310 helixtrans-85.9-13.6175.970.50000113.6D75 F76D75-T78 HydrophobicContact CB-CG2 4.02Å; D75-T78 PolarHBondContact O-N 3.37Å; D75-T78 VanDerWaalsContact O-N 3.07Å; D75-T78 PolarHBondContact O-OG1 3.5Å; F76-T78 PolarHBondContact O-N 2.85Å
79K90.4Very high86.2Confident136 Ų13679.3 Ų79.359%0.59143%0.427SS*.THydrogen-bonded Turntrans-106.9-33.4-176-58.2-54.1-179.8-170.40112.5L74 F76L74-K79 HydrophobicContact CD2-CD 4.37Å; L74-K79 HydrophobicContact CD2-CG 3.8Å; L74-K79 HydrophobicContact CG-CG 4.05Å; F76-K79 PolarHBondContact O-N 3.4Å
80L92.8Very high87Confident64 Ų6475.9 Ų75.934%0.33541%0.413SS..SBendtrans-91.1146.9-179.7-59.8-178.2000111F76 L84 I88F76-L80 HydrophobicContact CB-CD1 4.35Å; F76-L80 HydrophobicContact CD2-CD1 4.06Å; F76-L80 WeakPolarHBondContact O-CB 3.31Å; F76-L80 WeakPolarHBondContact O-CG 3.34Å; F76-L80 PolarHBondContact O-N 3.01Å; L80-L84 HydrophobicContact CB-CB 4.28Å; L80-L84 HydrophobicContact CD1-CB 4.48Å; L80-I88 HydrophobicContact CD1-CD1 3.65Å
81P95.8Very high88Confident87 Ų8778.8 Ų78.857%0.56542%0.418SS*.  trans-52.2142.4164.9-25.633.8000111.4V83 L84 S85P81-V83 PolarHBondContact O-N 2.87Å; P81-L84 PolarHBondContact O-N 2.88Å; P81-S85 PolarHBondContact O-N 3.48Å
82R94.6Very high89.4Confident122 Ų12276.6 Ų76.646%0.4640%0.395SS..Hα-helixtrans-49.2-37.8-176.6-179.1174.2176.5-93.25.6113.5L84 S85 L86 L110R82-L84 PolarHBondContact O-N 3.26Å; R82-S85 PolarHBondContact O-N 3.24Å; R82-L86 HydrophobicContact CG-CD1 3.98Å; R82-L86 HydrophobicContact CG-CG 4.36Å; R82-L86 WeakPolarHBondContact O-CG 3.26Å; R82-L86 PolarHBondContact O-N 3.07Å; R82-L110 HydrophobicContact CG-CD2 4.06Å
83V95.8Very high90.7Very high110 Ų11068.9 Ų68.967%0.66736%0.359SS*.Hα-helixtrans-61.1-42.7179.2179.10000111.9P81 L86 Y87P81-V83 PolarHBondContact O-N 2.87Å; V83-L86 PolarHBondContact O-N 3.12Å; V83-Y87 WeakPolarHBondContact O-CB 3.1Å; V83-Y87 PolarHBondContact O-N 3.34Å
84L96.3Very high92.1Very high84 Ų8465.2 Ų65.244%0.4433%0.327SS..Hα-helixtrans-71.2-38.6178.6-63.2-174.7000111.5L80 P81 R82 L86 Y87 I88L80-L84 HydrophobicContact CB-CB 4.28Å; L80-L84 HydrophobicContact CD1-CB 4.48Å; P81-L84 PolarHBondContact O-N 2.88Å; R82-L84 PolarHBondContact O-N 3.26Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L84-L86 PolarHBondContact O-N 2.85Å; L84-Y87 WeakPolarHBondContact O-CB 3.32Å; L84-Y87 PolarHBondContact O-N 3.5Å; L84-I88 WeakPolarHBondContact O-CG1 3.15Å; L84-I88 PolarHBondContact O-N 3.43Å
85S95.9Very high92.5Very high0 Ų063.4 Ų63.40%031%0.314CS..Hα-helixtrans-58.3-48.2172.4-57.80000110.5P81 R82 Y87 I88 F89P81-S85 PolarHBondContact O-N 3.48Å; R82-S85 PolarHBondContact O-N 3.24Å; S85-Y87 VanDerWaalsContact C-N 3.33Å; S85-Y87 PolarHBondContact O-N 3.06Å; S85-I88 PolarHBondContact O-N 3.2Å; S85-F89 WeakPolarHBondContact O-CD2 3.39Å; S85-F89 PolarHBondContact O-N 3.05Å
86L95.3Very high92.6Very high18 Ų1862.3 Ų62.39%0.09431%0.309CS..Hα-helixtrans-63.8-37.5177.2-69.9171.5000113R82 V83 L84 F89 S90 L110 L113 L116R82-L86 HydrophobicContact CG-CD1 3.98Å; R82-L86 HydrophobicContact CG-CG 4.36Å; R82-L86 WeakPolarHBondContact O-CG 3.26Å; R82-L86 PolarHBondContact O-N 3.07Å; V83-L86 PolarHBondContact O-N 3.12Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L84-L86 PolarHBondContact O-N 2.85Å; L86-F89 PolarHBondContact O-N 3.37Å; L86-S90 PolarHBondContact O-N 3.46Å; L86-L110 HydrophobicContact CD2-CB 4.45Å; L86-L110 HydrophobicContact CD2-CD2 4.06Å; L86-L110 HydrophobicContact CG-CD2 4.42Å; L86-L113 HydrophobicContact CD1-CD1 4.08Å; L86-L113 HydrophobicContact CD2-CD1 3.44Å; L86-L113 VanDerWaalsContact CD2-CD1 3.44Å; L86-L113 HydrophobicContact CG-CD1 4.36Å; L86-L116 HydrophobicContact CD2-CD1 4.27Å; L86-L116 HydrophobicContact CD2-CD2 4.38Å; L86-L116 HydrophobicContact CD2-CG 4.3Å; L86-L116 WeakPolarHBondContact O-CD2 3.28Å
87Y95.1Very high92.7Very high143 Ų14359.4 Ų59.456%0.56130%0.296SS*.Hα-helixtrans-59.2-46.4173.3179.2-113.1000111.5V83 L84 S85 F89 S90 F91V83-Y87 WeakPolarHBondContact O-CB 3.1Å; V83-Y87 PolarHBondContact O-N 3.34Å; L84-Y87 WeakPolarHBondContact O-CB 3.32Å; L84-Y87 PolarHBondContact O-N 3.5Å; S85-Y87 VanDerWaalsContact C-N 3.33Å; S85-Y87 PolarHBondContact O-N 3.06Å; Y87-F89 PolarHBondContact O-N 3.23Å; Y87-S90 WeakPolarHBondContact O-CB 3.45Å; Y87-S90 PolarHBondContact O-N 2.55Å; Y87-S90 VanDerWaalsContact O-N 3.16Å; Y87-S90 PolarHBondContact O-OG 3.08Å; Y87-F91 AromaticContact CD1-CE2 3.87Å; Y87-F91 HydrophobicContact CD1-CE2 3.87Å; Y87-F91 HydrophobicContact CD2-CE2 4.07Å; Y87-F91 HydrophobicContact CD2-CZ 4.34Å; Y87-F91 AromaticContact CE1-CE2 3.55Å; Y87-F91 HydrophobicContact CE1-CE2 3.55Å; Y87-F91 AromaticContact CE1-CZ 3.9Å; Y87-F91 HydrophobicContact CE1-CZ 3.9Å; Y87-F91 AromaticContact CE2-CE2 3.76Å; Y87-F91 HydrophobicContact CE2-CE2 3.76Å; Y87-F91 AromaticContact CE2-CZ 3.62Å; Y87-F91 HydrophobicContact CE2-CZ 3.62Å; Y87-F91 HydrophobicContact CG-CE2 4.13Å; Y87-F91 AromaticContact CZ-CE2 3.5Å; Y87-F91 AromaticContact CZ-CZ 3.38Å; Y87-F91 WeakPolarHBondContact O-CD2 3.18Å; Y87-F91 WeakPolarHBondContact O-CE2 3.5Å; Y87-F91 WeakPolarHBondContact OH-CZ 3.49Å
88I95.2Very high92.6Very high67 Ų6761.1 Ų61.134%0.34431%0.308SS..Hα-helixtrans-60-47.2175-65.5163.9000110.9F76 L80 L84 S85 S90 F91F76-I88 HydrophobicContact CD2-CD1 3.94Å; F76-I88 HydrophobicContact CE2-CB 4.25Å; F76-I88 HydrophobicContact CE2-CD1 3.88Å; F76-I88 HydrophobicContact CE2-CG2 4.08Å; F76-I88 HydrophobicContact CZ-CG2 4.04Å; L80-I88 HydrophobicContact CD1-CD1 3.65Å; L84-I88 WeakPolarHBondContact O-CG1 3.15Å; L84-I88 PolarHBondContact O-N 3.43Å; S85-I88 PolarHBondContact O-N 3.2Å; I88-S90 PolarHBondContact O-N 2.93Å; I88-F91 PolarHBondContact O-N 3.07Å
89F95.3Very high92.6Very high0 Ų062.2 Ų62.20%030%0.302CS..Hα-helixtrans-63.5-27.5178-83.7-115.1000112.6F76 T77 S85 L86 Y87 F91 L92 L97 C100 W107 L110 A111 L116F76-F89 HydrophobicContact CE2-CD2 4.22Å; F76-F89 AromaticContact CE2-CE2 3.81Å; F76-F89 HydrophobicContact CE2-CE2 3.81Å; F76-F89 HydrophobicContact CZ-CD2 4.03Å; F76-F89 AromaticContact CZ-CE2 3.46Å; F76-F89 HydrophobicContact CZ-CE2 3.46Å; F76-F89 VanDerWaalsContact CZ-CE2 3.46Å; F76-F89 HydrophobicContact CZ-CZ 4.38Å; T77-F89 HydrophobicContact CG2-CE2 3.68Å; T77-F89 HydrophobicContact CG2-CZ 4.12Å; S85-F89 WeakPolarHBondContact O-CD2 3.39Å; S85-F89 PolarHBondContact O-N 3.05Å; L86-F89 PolarHBondContact O-N 3.37Å; Y87-F89 PolarHBondContact O-N 3.23Å; F89-F91 PolarHBondContact O-N 2.96Å; F89-L92 HydrophobicContact CD1-CD1 4.4Å; F89-L92 HydrophobicContact CG-CD1 4.46Å; F89-L92 WeakPolarHBondContact O-CB 3.26Å; F89-L92 PolarHBondContact O-N 3.12Å; F89-L92 VanDerWaalsContact O-N 3.07Å; F89-L97 HydrophobicContact CB-CD2 4.03Å; F89-L97 HydrophobicContact CD1-CD2 3.56Å; F89-L97 HydrophobicContact CG-CD2 4.23Å; F89-C100 HydrophobicContact CD1-CB 4.42Å; F89-C100 HydrophobicContact CE1-CB 3.68Å; F89-C100 HydrophobicContact CZ-CB 4.39Å; F89-W107 HydrophobicContact CE1-CE3 4.4Å; F89-W107 AromaticContact CZ-CD2 3.94Å; F89-W107 HydrophobicContact CZ-CD2 3.94Å; F89-W107 AromaticContact CZ-CE3 3.85Å; F89-W107 HydrophobicContact CZ-CE3 3.85Å; F89-W107 HydrophobicContact CZ-CG 4.29Å; F89-W107 HydrophobicContact CZ-CZ3 4.34Å; F89-L110 HydrophobicContact CE1-CB 4.47Å; F89-A111 HydrophobicContact CD1-CB 4.11Å; F89-A111 HydrophobicContact CE1-CB 3.97Å; F89-L116 HydrophobicContact CB-CD1 3.86Å; F89-L116 HydrophobicContact CB-CD2 4.1Å; F89-L116 HydrophobicContact CD1-CD1 4.47Å
90S93.3Very high92.8Very high35 Ų3556.5 Ų56.525%0.24528%0.28CS..Hα-helixtrans-61.4-33-179.679.80000112.8L86 Y87 I88 L92 K120L86-S90 PolarHBondContact O-N 3.46Å; Y87-S90 WeakPolarHBondContact O-CB 3.45Å; Y87-S90 PolarHBondContact O-N 2.55Å; Y87-S90 VanDerWaalsContact O-N 3.16Å; Y87-S90 PolarHBondContact O-OG 3.08Å; I88-S90 PolarHBondContact O-N 2.93Å; S90-L92 VanDerWaalsContact C-N 3.26Å; S90-L92 PolarHBondContact O-N 3.29Å; S90-K120 PolarHBondContact O-NZ 3.24Å; S90-K120 VanDerWaalsContact O-NZ 3.13Å
91F91.4Very high92.9Very high135 Ų13554.2 Ų54.259%0.59227%0.27SS*.THydrogen-bonded Turntrans-73-13.5177.1-63.7-71.1000114.4Y87 I88 F89Y87-F91 AromaticContact CD1-CE2 3.87Å; Y87-F91 HydrophobicContact CD1-CE2 3.87Å; Y87-F91 HydrophobicContact CD2-CE2 4.07Å; Y87-F91 HydrophobicContact CD2-CZ 4.34Å; Y87-F91 AromaticContact CE1-CE2 3.55Å; Y87-F91 HydrophobicContact CE1-CE2 3.55Å; Y87-F91 AromaticContact CE1-CZ 3.9Å; Y87-F91 HydrophobicContact CE1-CZ 3.9Å; Y87-F91 AromaticContact CE2-CE2 3.76Å; Y87-F91 HydrophobicContact CE2-CE2 3.76Å; Y87-F91 AromaticContact CE2-CZ 3.62Å; Y87-F91 HydrophobicContact CE2-CZ 3.62Å; Y87-F91 HydrophobicContact CG-CE2 4.13Å; Y87-F91 AromaticContact CZ-CE2 3.5Å; Y87-F91 AromaticContact CZ-CZ 3.38Å; Y87-F91 WeakPolarHBondContact O-CD2 3.18Å; Y87-F91 WeakPolarHBondContact O-CE2 3.5Å; Y87-F91 WeakPolarHBondContact OH-CZ 3.49Å; I88-F91 PolarHBondContact O-N 3.07Å; F89-F91 PolarHBondContact O-N 2.96Å
92L90.9Very high92.8Very high38 Ų3856.5 Ų56.520%0.19927%0.273CS..SBendtrans-80.8137.6-179.1-60.7179.6000110.4F89 S90 L97 C100 K120F89-L92 HydrophobicContact CD1-CD1 4.4Å; F89-L92 HydrophobicContact CG-CD1 4.46Å; F89-L92 WeakPolarHBondContact O-CB 3.26Å; F89-L92 PolarHBondContact O-N 3.12Å; F89-L92 VanDerWaalsContact O-N 3.07Å; S90-L92 VanDerWaalsContact C-N 3.26Å; S90-L92 PolarHBondContact O-N 3.29Å; L92-L97 HydrophobicContact CB-CD2 3.96Å; L92-L97 HydrophobicContact CB-CG 3.86Å; L92-L97 HydrophobicContact CD1-CD2 4.1Å; L92-C100 VanDerWaalsContact CD1-SG 3.5Å; L92-K120 PolarHBondContact O-NZ 3.42Å
93D87.1Confident92.7Very high16 Ų1654.9 Ų54.99%0.08628%0.276CS..  trans-65.3158.217163.1-72.5000111.8R95 S96 L97 N221D93-R95 PolarHBondContact O-N 3.33Å; D93-R95 VanDerWaalsContact O-N 3.12Å; D93-R95 VanDerWaalsContact OD2-CB 3.26Å; D93-R95 WeakPolarHBondContact OD2-CB 3.29Å; D93-R95 PolarHBondContact OD2-N 2.78Å; D93-S96 PolarHBondContact O-N 3.09Å; D93-S96 WeakPolarHBondContact OD1-CB 3.3Å; D93-S96 PolarHBondContact OD1-OG 3.04Å; D93-S96 PolarHBondContact OD2-N 3.49Å; D93-S96 PolarHBondContact OD2-OG 2.83Å; D93-L97 PolarHBondContact O-N 2.92Å; D93-N221 HydrophobicContact CB-CB 4.18Å; D93-N221 VanDerWaalsContact CB-ND2 3.32Å; D93-N221 WeakPolarHBondContact CB-ND2 3.39Å
94P89.8Confident92.5Very high13 Ų1352 Ų528%0.08426%0.261CS..Hα-helixtrans-51.8-36179.6-27.233.5000114.3C98 W117 K120 Y144P94-C98 PolarHBondContact O-N 3.34Å; P94-C98 VanDerWaalsContact O-N 3.09Å; P94-C98 PolarHBondContact O-SG 3.4Å; P94-W117 HydrophobicContact CB-CH2 3.9Å; P94-W117 HydrophobicContact CB-CZ3 3.85Å; P94-K120 HydrophobicContact CG-CD 4.2Å; P94-Y144 HydrophobicContact CB-CE1 3.96Å; P94-Y144 HydrophobicContact CG-CE1 3.89Å; P94-Y144 HydrophobicContact CG-CE2 4.22Å; P94-Y144 WeakPolarHBondContact CG-OH 3.26Å
95R85.9Confident92.5Very high67 Ų6758 Ų5825%0.25328%0.278SS..Hα-helixtrans-70.5-44.2178.5-174.2-172-173.9101.97110.7D93 L97 C98 R99 Y222D93-R95 PolarHBondContact O-N 3.33Å; D93-R95 VanDerWaalsContact O-N 3.12Å; D93-R95 VanDerWaalsContact OD2-CB 3.26Å; D93-R95 WeakPolarHBondContact OD2-CB 3.29Å; D93-R95 PolarHBondContact OD2-N 2.78Å; R95-L97 VanDerWaalsContact C-N 3.33Å; R95-C98 WeakPolarHBondContact O-CB 3.46Å; R95-C98 PolarHBondContact O-N 2.82Å; R95-R99 PolarHBondContact O-N 3.26Å; R95-R99 VanDerWaalsContact O-N 3.14Å; R95-Y222 PolarHBondContact NH1-OH 2.96Å; R95-Y222 VanDerWaalsContact NH1-OH 3.09Å
96S89.5Confident92.4Very high18 Ų1862 Ų6213%0.12630%0.296CS..Hα-helixtrans-62.8-39.7175.8-65.50000111.8D93 C98 R99 C100D93-S96 PolarHBondContact O-N 3.09Å; D93-S96 WeakPolarHBondContact OD1-CB 3.3Å; D93-S96 PolarHBondContact OD1-OG 3.04Å; D93-S96 PolarHBondContact OD2-N 3.49Å; D93-S96 PolarHBondContact OD2-OG 2.83Å; S96-C98 VanDerWaalsContact C-N 3.34Å; S96-C98 PolarHBondContact O-N 3.02Å; S96-R99 WeakPolarHBondContact O-CA 3.49Å; S96-R99 WeakPolarHBondContact O-CB 3.44Å; S96-R99 PolarHBondContact O-N 3.19Å; S96-C100 PolarHBondContact O-N 3.08Å; S96-C100 PolarHBondContact O-SG 2.9Å; S96-C100 VanDerWaalsContact O-SG 3.37Å
97L92.6Very high92.5Very high1 Ų162.9 Ų62.91%0.00530%0.298CS..Hα-helixtrans-60.3-41.2173.4-74.8172.5000113F89 L92 D93 R95 R99 C100 A101 A111 L116 W117 K120F89-L97 HydrophobicContact CB-CD2 4.03Å; F89-L97 HydrophobicContact CD1-CD2 3.56Å; F89-L97 HydrophobicContact CG-CD2 4.23Å; L92-L97 HydrophobicContact CB-CD2 3.96Å; L92-L97 HydrophobicContact CB-CG 3.86Å; L92-L97 HydrophobicContact CD1-CD2 4.1Å; D93-L97 PolarHBondContact O-N 2.92Å; R95-L97 VanDerWaalsContact C-N 3.33Å; L97-R99 VanDerWaalsContact C-N 3.25Å; L97-R99 PolarHBondContact O-N 3.04Å; L97-C100 WeakPolarHBondContact O-CB 3.44Å; L97-C100 PolarHBondContact O-N 3.06Å; L97-A101 PolarHBondContact O-N 2.99Å; L97-A111 HydrophobicContact CD2-CB 4.3Å; L97-L116 HydrophobicContact CD2-CD1 4.14Å; L97-W117 HydrophobicContact CB-CZ2 4.37Å; L97-K120 HydrophobicContact CD1-CD 4Å
98C90.7Very high92.5Very high44 Ų4459.6 Ų59.630%0.29729%0.287SS..Hα-helixtrans-63.9-29173.6-71.90000112.9P94 R95 S96 Q102P94-C98 PolarHBondContact O-N 3.34Å; P94-C98 VanDerWaalsContact O-N 3.09Å; P94-C98 PolarHBondContact O-SG 3.4Å; R95-C98 WeakPolarHBondContact O-CB 3.46Å; R95-C98 PolarHBondContact O-N 2.82Å; S96-C98 VanDerWaalsContact C-N 3.34Å; S96-C98 PolarHBondContact O-N 3.02Å; C98-Q102 PolarHBondContact O-NE2 3.38Å
99R91.5Very high92.4Very high108 Ų10860.2 Ų60.241%0.40829%0.291SS..Hα-helixtrans-75.2-41.2171.4-62.3-170.7-142.7-179.76.4111.6R95 S96 L97 A101 Q102R95-R99 PolarHBondContact O-N 3.26Å; R95-R99 VanDerWaalsContact O-N 3.14Å; S96-R99 WeakPolarHBondContact O-CA 3.49Å; S96-R99 WeakPolarHBondContact O-CB 3.44Å; S96-R99 PolarHBondContact O-N 3.19Å; L97-R99 VanDerWaalsContact C-N 3.25Å; L97-R99 PolarHBondContact O-N 3.04Å; R99-A101 PolarHBondContact O-N 2.7Å; R99-Q102 WeakPolarHBondContact O-CB 3.36Å; R99-Q102 PolarHBondContact O-N 3.07Å
100C94Very high92.4Very high17 Ų1760.4 Ų60.412%0.11529%0.292CS..Hα-helixtrans-55.9-40.7173.9-69.10000111.5F89 L92 S96 L97 Q102 V103 W107 A111F89-C100 HydrophobicContact CD1-CB 4.42Å; F89-C100 HydrophobicContact CE1-CB 3.68Å; F89-C100 HydrophobicContact CZ-CB 4.39Å; L92-C100 VanDerWaalsContact CD1-SG 3.5Å; S96-C100 PolarHBondContact O-N 3.08Å; S96-C100 PolarHBondContact O-SG 2.9Å; S96-C100 VanDerWaalsContact O-SG 3.37Å; L97-C100 WeakPolarHBondContact O-CB 3.44Å; L97-C100 PolarHBondContact O-N 3.06Å; C100-Q102 PolarHBondContact O-N 3.21Å; C100-V103 WeakPolarHBondContact O-CB 3.48Å; C100-V103 WeakPolarHBondContact O-CG2 3.5Å; C100-V103 PolarHBondContact O-N 2.73Å; C100-W107 HydrophobicContact CB-CE3 3.77Å; C100-W107 HydrophobicContact CB-CZ3 4.21Å; C100-W107 VanDerWaalsContact O-CB 3.27Å; C100-W107 WeakPolarHBondContact O-CB 3.45Å; C100-A111 HydrophobicContact CB-CB 4.43Å
101A94.3Very high92.5Very high16 Ų1658.8 Ų58.813%0.13228%0.28CS..THydrogen-bonded Turntrans-61.6-14.8176.300000114.8L97 R99 K108 A111L97-A101 PolarHBondContact O-N 2.99Å; R99-A101 PolarHBondContact O-N 2.7Å; A101-K108 HydrophobicContact CB-CB 4.29Å; A101-K108 HydrophobicContact CB-CG 4.21Å; A101-K108 WeakPolarHBondContact O-CB 3.45Å; A101-A111 HydrophobicContact CB-CB 4.12Å
102Q93.6Very high92.7Very high134 Ų13455.3 Ų55.363%0.62627%0.266SS*.THydrogen-bonded Turntrans-93.9-5177.6-64.9167.96400113C98 R99 C100C98-Q102 PolarHBondContact O-NE2 3.38Å; R99-Q102 WeakPolarHBondContact O-CB 3.36Å; R99-Q102 PolarHBondContact O-N 3.07Å; C100-Q102 PolarHBondContact O-N 3.21Å
103V92.7Very high92.8Very high88 Ų8854.6 Ų54.653%0.53326%0.263SS..THydrogen-bonded Turntrans-72.7-53.3-178.6175.40000110.9C100 W107C100-V103 WeakPolarHBondContact O-CB 3.48Å; C100-V103 WeakPolarHBondContact O-CG2 3.5Å; C100-V103 PolarHBondContact O-N 2.73Å; V103-W107 HydrophobicContact CB-CB 4.29Å; V103-W107 HydrophobicContact CB-CD2 3.88Å; V103-W107 HydrophobicContact CB-CE3 3.73Å; V103-W107 HydrophobicContact CB-CG 4.14Å; V103-W107 HydrophobicContact CB-CZ3 4.36Å; V103-W107 HydrophobicContact CG1-CD2 3.91Å; V103-W107 HydrophobicContact CG1-CE3 4.06Å; V103-W107 HydrophobicContact CG1-CG 4.27Å; V103-W107 HydrophobicContact CG1-CZ3 4.45Å; V103-W107 HydrophobicContact CG2-CD2 4.29Å; V103-W107 HydrophobicContact CG2-CE3 3.63Å; V103-W107 HydrophobicContact CG2-CZ3 3.88Å
104C93Very high93.1Very high49 Ų4955.2 Ų55.233%0.33127%0.266SS..  trans-159.6170.417471.60000111H106 W107 K108C104-H106 VanDerWaalsContact C-N 3.28Å; C104-H106 PolarHBondContact O-N 2.98Å; C104-W107 PolarHBondContact O-N 2.95Å; C104-W107 PolarHBondContact SG-N 3.14Å; C104-W107 VanDerWaalsContact SG-N 3.4Å; C104-K108 PolarHBondContact O-N 3.42Å
105W95Very high93.2Very high211 Ų21159.9 Ų59.980%0.79929%0.286SS*.Hα-helixtrans-58.5-36.6177.9-73.3110.4000113.7K108 N109W105-K108 HydrophobicContact CE3-CD 4.01Å; W105-K108 HydrophobicContact CZ3-CD 3.95Å; W105-K108 WeakPolarHBondContact O-CB 3.27Å; W105-K108 PolarHBondContact O-N 3.14Å; W105-N109 PolarHBondContact O-N 3.09Å
106H94.8Very high93.6Very high85 Ų8556.9 Ų56.939%0.39428%0.276SS..Hα-helixtrans-65.5-44.9177.1-179.563.2000111.6T77 C104 K108 N109 L110T77-H106 PolarHBondContact OG1-CD2 2.94Å; T77-H106 PolarHBondContact OG1-NE2 3.22Å; C104-H106 VanDerWaalsContact C-N 3.28Å; C104-H106 PolarHBondContact O-N 2.98Å; H106-K108 VanDerWaalsContact C-N 3.32Å; H106-K108 PolarHBondContact O-N 3.28Å; H106-N109 WeakPolarHBondContact O-CB 3.46Å; H106-N109 PolarHBondContact O-N 3.19Å; H106-L110 PolarHBondContact O-N 2.84Å
107W96.3Very high93.8Very high36 Ų3656.2 Ų56.214%0.13627%0.27CS..Hα-helixtrans-65.5-36.3175.6-7741.8000112.2D75 F76 T77 F89 C100 V103 C104 L110 A111D75-W107 WeakPolarHBondContact OD1-CZ2 3.38Å; D75-W107 PolarHBondContact OD1-NE1 2.88Å; D75-W107 PolarHBondContact OD2-NE1 3.22Å; F76-W107 HydrophobicContact CD1-CH2 4.36Å; F76-W107 HydrophobicContact CD1-CZ2 4.11Å; F76-W107 AromaticContact CE1-CH2 3.61Å; F76-W107 HydrophobicContact CE1-CH2 3.61Å; F76-W107 AromaticContact CE1-CZ2 3.67Å; F76-W107 HydrophobicContact CE1-CZ2 3.67Å; F76-W107 HydrophobicContact CZ-CH2 4.34Å; F76-W107 HydrophobicContact CZ-CZ2 4.38Å; T77-W107 HydrophobicContact CG2-CZ2 4.29Å; T77-W107 PolarHBondContact OG1-NE1 3.02Å; F89-W107 HydrophobicContact CE1-CE3 4.4Å; F89-W107 AromaticContact CZ-CD2 3.94Å; F89-W107 HydrophobicContact CZ-CD2 3.94Å; F89-W107 AromaticContact CZ-CE3 3.85Å; F89-W107 HydrophobicContact CZ-CE3 3.85Å; F89-W107 HydrophobicContact CZ-CG 4.29Å; F89-W107 HydrophobicContact CZ-CZ3 4.34Å; C100-W107 HydrophobicContact CB-CE3 3.77Å; C100-W107 HydrophobicContact CB-CZ3 4.21Å; C100-W107 VanDerWaalsContact O-CB 3.27Å; C100-W107 WeakPolarHBondContact O-CB 3.45Å; V103-W107 HydrophobicContact CB-CB 4.29Å; V103-W107 HydrophobicContact CB-CD2 3.88Å; V103-W107 HydrophobicContact CB-CE3 3.73Å; V103-W107 HydrophobicContact CB-CG 4.14Å; V103-W107 HydrophobicContact CB-CZ3 4.36Å; V103-W107 HydrophobicContact CG1-CD2 3.91Å; V103-W107 HydrophobicContact CG1-CE3 4.06Å; V103-W107 HydrophobicContact CG1-CG 4.27Å; V103-W107 HydrophobicContact CG1-CZ3 4.45Å; V103-W107 HydrophobicContact CG2-CD2 4.29Å; V103-W107 HydrophobicContact CG2-CE3 3.63Å; V103-W107 HydrophobicContact CG2-CZ3 3.88Å; C104-W107 PolarHBondContact O-N 2.95Å; C104-W107 PolarHBondContact SG-N 3.14Å; C104-W107 VanDerWaalsContact SG-N 3.4Å; W107-L110 PolarHBondContact O-N 3.37Å; W107-A111 WeakPolarHBondContact O-CB 3.21Å; W107-A111 PolarHBondContact O-N 3.17Å
108K94.8Very high93.9Very high74 Ų7459.4 Ų59.432%0.32229%0.286SS..Hα-helixtrans-57.5-50.8171.9-175.7174.6177.2-178.50111A101 C104 W105 H106 L110 A111 E112A101-K108 HydrophobicContact CB-CB 4.29Å; A101-K108 HydrophobicContact CB-CG 4.21Å; A101-K108 WeakPolarHBondContact O-CB 3.45Å; C104-K108 PolarHBondContact O-N 3.42Å; W105-K108 HydrophobicContact CE3-CD 4.01Å; W105-K108 HydrophobicContact CZ3-CD 3.95Å; W105-K108 WeakPolarHBondContact O-CB 3.27Å; W105-K108 PolarHBondContact O-N 3.14Å; H106-K108 VanDerWaalsContact C-N 3.32Å; H106-K108 PolarHBondContact O-N 3.28Å; K108-L110 VanDerWaalsContact C-N 3.32Å; K108-L110 PolarHBondContact O-N 2.84Å; K108-A111 PolarHBondContact O-N 3.48Å; K108-E112 WeakPolarHBondContact CE-OE2 3.41Å; K108-E112 HydrophobicContact CG-CG 4.31Å; K108-E112 WeakPolarHBondContact CG-OE2 3.33Å; K108-E112 WeakPolarHBondContact O-CB 3.43Å; K108-E112 VanDerWaalsContact O-CG 3.26Å; K108-E112 WeakPolarHBondContact O-CG 3.19Å; K108-E112 PolarHBondContact O-N 2.96Å; K108-E112 VanDerWaalsContact O-N 3.08Å
109N94.5Very high93.9Very high80 Ų8062.1 Ų62.143%0.42830%0.297SS..Hα-helixtrans-56.5-47.8178-174.5-78.8000111.2W105 H106 L113W105-N109 PolarHBondContact O-N 3.09Å; H106-N109 WeakPolarHBondContact O-CB 3.46Å; H106-N109 PolarHBondContact O-N 3.19Å; N109-L113 WeakPolarHBondContact O-CG 3.29Å
110L95.3Very high93.9Very high3 Ų358.1 Ų58.12%0.01628%0.282CS..Hα-helixtrans-64.3-46.1179.1-68.1176.4000113.1T77 R82 L86 F89 H106 W107 K108 E112 L113 L116T77-L110 HydrophobicContact CG2-CD1 3.81Å; R82-L110 HydrophobicContact CG-CD2 4.06Å; L86-L110 HydrophobicContact CD2-CB 4.45Å; L86-L110 HydrophobicContact CD2-CD2 4.06Å; L86-L110 HydrophobicContact CG-CD2 4.42Å; F89-L110 HydrophobicContact CE1-CB 4.47Å; H106-L110 PolarHBondContact O-N 2.84Å; W107-L110 PolarHBondContact O-N 3.37Å; K108-L110 VanDerWaalsContact C-N 3.32Å; K108-L110 PolarHBondContact O-N 2.84Å; L110-E112 VanDerWaalsContact C-N 3.26Å; L110-E112 PolarHBondContact O-N 3.16Å; L110-L113 HydrophobicContact CD2-CD1 4.19Å; L110-L113 PolarHBondContact O-N 2.57Å; L110-L116 WeakPolarHBondContact O-CD1 3.48Å
111A95.8Very high93.8Very high1 Ų157.3 Ų57.31%0.00828%0.277CS..Hα-helixtrans-69.7-21.1-175.800000113.7F89 L97 C100 A101 W107 K108 W117F89-A111 HydrophobicContact CD1-CB 4.11Å; F89-A111 HydrophobicContact CE1-CB 3.97Å; L97-A111 HydrophobicContact CD2-CB 4.3Å; C100-A111 HydrophobicContact CB-CB 4.43Å; A101-A111 HydrophobicContact CB-CB 4.12Å; W107-A111 WeakPolarHBondContact O-CB 3.21Å; W107-A111 PolarHBondContact O-N 3.17Å; K108-A111 PolarHBondContact O-N 3.48Å; A111-W117 PolarHBondContact O-NE1 3.36Å
112E94Very high93.6Very high62 Ų6259.4 Ų59.429%0.2929%0.286SS..THydrogen-bonded Turntrans-94.9-1.1-178.3-65.5-169.8145.900113.6K108 L110 K141K108-E112 WeakPolarHBondContact CE-OE2 3.41Å; K108-E112 HydrophobicContact CG-CG 4.31Å; K108-E112 WeakPolarHBondContact CG-OE2 3.33Å; K108-E112 WeakPolarHBondContact O-CB 3.43Å; K108-E112 VanDerWaalsContact O-CG 3.26Å; K108-E112 WeakPolarHBondContact O-CG 3.19Å; K108-E112 PolarHBondContact O-N 2.96Å; K108-E112 VanDerWaalsContact O-N 3.08Å; L110-E112 VanDerWaalsContact C-N 3.26Å; L110-E112 PolarHBondContact O-N 3.16Å; E112-K141 HydrophobicContact CB-CD 4.5Å; E112-K141 HydrophobicContact CG-CD 4.2Å; E112-K141 IonicContact OE1-NZ 3.38Å; E112-K141 PolarHBondContact OE1-NZ 3Å
113L94.4Very high93.5Very high24 Ų2459 Ų5913%0.12628%0.278CS..  trans-65.4136.4-179.2-74.3162.2000112.8L86 N109 L110 Q115 L116 W117L86-L113 HydrophobicContact CD1-CD1 4.08Å; L86-L113 HydrophobicContact CD2-CD1 3.44Å; L86-L113 VanDerWaalsContact CD2-CD1 3.44Å; L86-L113 HydrophobicContact CG-CD1 4.36Å; N109-L113 WeakPolarHBondContact O-CG 3.29Å; L110-L113 HydrophobicContact CD2-CD1 4.19Å; L110-L113 PolarHBondContact O-N 2.57Å; L113-Q115 PolarHBondContact O-N 2.92Å; L113-Q115 VanDerWaalsContact O-N 3.16Å; L113-L116 WeakPolarHBondContact O-CB 3.39Å; L113-L116 PolarHBondContact O-N 3.24Å; L113-W117 PolarHBondContact O-N 3.45Å
114D93.3Very high93.2Very high28 Ų2857.5 Ų57.515%0.1527%0.265CS..Hα-helixtrans-59.8-29.2179.7-78.7-38.3000113.5L116 W117 M118 G138 I139 W140D114-L116 PolarHBondContact O-N 2.99Å; D114-L116 VanDerWaalsContact O-N 3.16Å; D114-W117 PolarHBondContact O-N 3.38Å; D114-M118 WeakPolarHBondContact O-CB 3.38Å; D114-M118 PolarHBondContact O-N 2.91Å; D114-G138 VanDerWaalsContact OD1-CA 3.22Å; D114-G138 WeakPolarHBondContact OD1-CA 3.46Å; D114-G138 PolarHBondContact OD1-N 3.3Å; D114-G138 PolarHBondContact OD2-N 3.03Å; D114-I139 PolarHBondContact OD1-N 3.06Å; D114-I139 PolarHBondContact OD2-N 3.36Å; D114-W140 HydrophobicContact CB-CB 4.41Å; D114-W140 HydrophobicContact CB-CG 4.37Å; D114-W140 WeakPolarHBondContact OD1-CB 3.39Å; D114-W140 PolarHBondContact OD1-N 3.18Å
115Q91.4Very high93.1Very high111 Ų11160.5 Ų60.552%0.51928%0.277SS..Hα-helixtrans-57-31.7174-58.8179.7-89.300112.7L113L113-Q115 PolarHBondContact O-N 2.92Å; L113-Q115 VanDerWaalsContact O-N 3.16Å
116L94.2Very high93Very high5 Ų551.6 Ų51.63%0.02624%0.244CC..Hα-helixtrans-80.7-45.5176.2-61.6178.2000111.5L86 F89 L97 L110 L113 D114 K120L86-L116 HydrophobicContact CD2-CD1 4.27Å; L86-L116 HydrophobicContact CD2-CD2 4.38Å; L86-L116 HydrophobicContact CD2-CG 4.3Å; L86-L116 WeakPolarHBondContact O-CD2 3.28Å; F89-L116 HydrophobicContact CB-CD1 3.86Å; F89-L116 HydrophobicContact CB-CD2 4.1Å; F89-L116 HydrophobicContact CD1-CD1 4.47Å; L97-L116 HydrophobicContact CD2-CD1 4.14Å; L110-L116 WeakPolarHBondContact O-CD1 3.48Å; L113-L116 WeakPolarHBondContact O-CB 3.39Å; L113-L116 PolarHBondContact O-N 3.24Å; D114-L116 PolarHBondContact O-N 2.99Å; D114-L116 VanDerWaalsContact O-N 3.16Å; L116-K120 WeakPolarHBondContact O-CD 3.28Å; L116-K120 WeakPolarHBondContact O-CE 3.46Å; L116-K120 WeakPolarHBondContact O-CG 3.5Å
117W94.2Very high92.9Very high4 Ų454 Ų542%0.01525%0.251CS..Hα-helixtrans-77.1-30.4-173-69.389.3000112.9P94 L97 A111 L113 D114 K120 C121 W140 K141 Y144P94-W117 HydrophobicContact CB-CH2 3.9Å; P94-W117 HydrophobicContact CB-CZ3 3.85Å; L97-W117 HydrophobicContact CB-CZ2 4.37Å; A111-W117 PolarHBondContact O-NE1 3.36Å; L113-W117 PolarHBondContact O-N 3.45Å; D114-W117 PolarHBondContact O-N 3.38Å; W117-K120 WeakPolarHBondContact O-CB 3.37Å; W117-K120 PolarHBondContact O-N 2.81Å; W117-K120 VanDerWaalsContact O-N 3.14Å; W117-C121 PolarHBondContact O-N 3.18Å; W117-C121 PolarHBondContact O-SG 3.31Å; W117-W140 HydrophobicContact CB-CB 3.66Å; W117-K141 HydrophobicContact CB-CB 4.25Å; W117-K141 HydrophobicContact CD2-CB 3.64Å; W117-K141 HydrophobicContact CD2-CD 4.38Å; W117-K141 HydrophobicContact CD2-CG 3.75Å; W117-K141 HydrophobicContact CE3-CB 4.16Å; W117-K141 HydrophobicContact CE3-CG 4.06Å; W117-K141 HydrophobicContact CG-CB 3.65Å; W117-K141 HydrophobicContact CG-CG 4.28Å; W117-K141 HydrophobicContact CH2-CD 4.48Å; W117-K141 HydrophobicContact CH2-CG 4.12Å; W117-K141 HydrophobicContact CZ2-CD 3.83Å; W117-K141 HydrophobicContact CZ2-CG 3.83Å; W117-K141 HydrophobicContact CZ3-CG 4.22Å; W117-Y144 HydrophobicContact CE3-CD1 4.09Å; W117-Y144 HydrophobicContact CE3-CD2 4.38Å; W117-Y144 AromaticContact CE3-CG 3.83Å; W117-Y144 HydrophobicContact CE3-CG 3.83Å; W117-Y144 AromaticContact CZ3-CD1 3.63Å; W117-Y144 HydrophobicContact CZ3-CD1 3.63Å; W117-Y144 HydrophobicContact CZ3-CE1 4.2Å; W117-Y144 AromaticContact CZ3-CG 3.87Å; W117-Y144 HydrophobicContact CZ3-CG 3.87Å
118M93.4Very high92.6Very high68 Ų6853.6 Ų53.634%0.33525%0.25SS..Hα-helixtrans-56.6-52.3173.4179.1-178.575.200111D114 K120 C121 L122 W140D114-M118 WeakPolarHBondContact O-CB 3.38Å; D114-M118 PolarHBondContact O-N 2.91Å; M118-K120 PolarHBondContact O-N 3.25Å; M118-K120 VanDerWaalsContact O-N 3.16Å; M118-C121 PolarHBondContact O-N 3.21Å; M118-C121 VanDerWaalsContact O-N 3.17Å; M118-L122 HydrophobicContact CG-CD1 3.73Å; M118-L122 HydrophobicContact CG-CG 4.14Å; M118-L122 WeakPolarHBondContact O-CB 3.44Å; M118-L122 VanDerWaalsContact O-CG 3.26Å; M118-L122 WeakPolarHBondContact O-CG 3.48Å; M118-L122 PolarHBondContact O-N 3.31Å; M118-L122 HydrophobicContact SD-CD1 4.43Å; M118-W140 HydrophobicContact CB-CB 4.42Å; M118-W140 HydrophobicContact CB-CD2 3.6Å; M118-W140 HydrophobicContact CB-CE3 4.08Å; M118-W140 HydrophobicContact CB-CG 3.77Å; M118-W140 HydrophobicContact CB-CZ2 4.31Å; M118-W140 HydrophobicContact CG-CD2 3.84Å; M118-W140 HydrophobicContact CG-CE3 4.14Å; M118-W140 HydrophobicContact CG-CG 4.47Å; M118-W140 HydrophobicContact CG-CH2 3.92Å; M118-W140 HydrophobicContact CG-CZ2 3.62Å; M118-W140 HydrophobicContact CG-CZ3 4.17Å; M118-W140 HydrophobicContact SD-CZ2 4.07Å
119L91.4Very high92.2Very high101 Ų10158.1 Ų58.153%0.52928%0.278SS..Hα-helixtrans-57.9-33.1178.5-65.8174.6000112.2R123L119-R123 PolarHBondContact O-N 2.68Å
120K91.2Very high91.8Very high23 Ų2360 Ų6010%0.128%0.283CS..Hα-helixtrans-74.4-41.3179.5-64.9164.5-156.8-69.30111.8S90 L92 P94 L97 L116 W117 M118 F124 Y144S90-K120 PolarHBondContact O-NZ 3.24Å; S90-K120 VanDerWaalsContact O-NZ 3.13Å; L92-K120 PolarHBondContact O-NZ 3.42Å; P94-K120 HydrophobicContact CG-CD 4.2Å; L97-K120 HydrophobicContact CD1-CD 4Å; L116-K120 WeakPolarHBondContact O-CD 3.28Å; L116-K120 WeakPolarHBondContact O-CE 3.46Å; L116-K120 WeakPolarHBondContact O-CG 3.5Å; W117-K120 WeakPolarHBondContact O-CB 3.37Å; W117-K120 PolarHBondContact O-N 2.81Å; W117-K120 VanDerWaalsContact O-N 3.14Å; M118-K120 PolarHBondContact O-N 3.25Å; M118-K120 VanDerWaalsContact O-N 3.16Å; K120-F124 WeakPolarHBondContact O-CD2 3.3Å; K120-Y144 HydrophobicContact CB-CD2 4.2Å; K120-Y144 HydrophobicContact CB-CE2 4.07Å
121C91.8Very high91.1Very high0 Ų065 Ų650%032%0.319CS..Hα-helixtrans-65.2-47.5173.6-68.80000111.7W117 M118 R123 F124 N125 W126 W140W117-C121 PolarHBondContact O-N 3.18Å; W117-C121 PolarHBondContact O-SG 3.31Å; M118-C121 PolarHBondContact O-N 3.21Å; M118-C121 VanDerWaalsContact O-N 3.17Å; C121-R123 PolarHBondContact O-N 3.19Å; C121-F124 PolarHBondContact O-N 3.15Å; C121-N125 PolarHBondContact O-N 3.44Å; C121-W126 HydrophobicContact CB-CB 4.1Å; C121-W126 PolarHBondContact O-N 3.17Å; C121-W140 HydrophobicContact CB-CE3 3.62Å; C121-W140 HydrophobicContact CB-CZ3 3.76Å
122L91.4Very high90.6Very high60 Ų6066.8 Ų66.831%0.31433%0.33SS..Hα-helixtrans-61-30.5-178.6-69.8179000112.4M118 F124 N125 Y127 W140M118-L122 HydrophobicContact CG-CD1 3.73Å; M118-L122 HydrophobicContact CG-CG 4.14Å; M118-L122 WeakPolarHBondContact O-CB 3.44Å; M118-L122 VanDerWaalsContact O-CG 3.26Å; M118-L122 WeakPolarHBondContact O-CG 3.48Å; M118-L122 PolarHBondContact O-N 3.31Å; M118-L122 HydrophobicContact SD-CD1 4.43Å; L122-F124 PolarHBondContact O-N 3.1Å; L122-N125 PolarHBondContact O-N 3.13Å; L122-Y127 HydrophobicContact CD2-CD1 3.57Å; L122-Y127 HydrophobicContact CD2-CE1 3.51Å; L122-W140 HydrophobicContact CD2-CH2 4.24Å; L122-W140 HydrophobicContact CD2-CZ3 4.43Å
123R90Very high90.1Very high126 Ų12667 Ų6748%0.47534%0.335SS..THydrogen-bonded Turntrans-62.2-23.5174.7-155.9-170.272.4168.912.5113.7L119 C121 D224L119-R123 PolarHBondContact O-N 2.68Å; C121-R123 PolarHBondContact O-N 3.19Å; R123-D224 IonicContact CZ-OD1 2.87Å; R123-D224 IonicContact CZ-OD2 3.01Å; R123-D224 IonicContact NH1-OD1 3.81Å; R123-D224 PolarHBondContact NH1-OD1 3.44Å; R123-D224 IonicContact NH1-OD2 2.72Å; R123-D224 PolarHBondContact NH1-OD2 2.94Å; R123-D224 IonicContact NH2-OD1 3.26Å; R123-D224 PolarHBondContact NH2-OD1 3.4Å; R123-D224 IonicContact NH2-OD2 2.68Å; R123-D224 PolarHBondContact NH2-OD2 3.26Å
124F87.8Confident89.4Confident56 Ų5671.7 Ų71.725%0.24637%0.367CS..THydrogen-bonded Turntrans-104.213.8174.6-60.9-72.2000112.5K120 C121 L122 W126 Y144 L223K120-F124 WeakPolarHBondContact O-CD2 3.3Å; C121-F124 PolarHBondContact O-N 3.15Å; L122-F124 PolarHBondContact O-N 3.1Å; F124-W126 HydrophobicContact CB-CD2 3.79Å; F124-W126 VanDerWaalsContact CB-CE2 3.5Å; F124-W126 HydrophobicContact CB-CE3 4.39Å; F124-W126 HydrophobicContact CB-CG 4.05Å; F124-W126 HydrophobicContact CB-CZ2 3.85Å; F124-W126 HydrophobicContact CD2-CE3 4.46Å; F124-W126 HydrophobicContact CD2-CH2 4.22Å; F124-W126 HydrophobicContact CD2-CZ2 4.3Å; F124-W126 HydrophobicContact CD2-CZ3 4.28Å; F124-W126 HydrophobicContact CG-CH2 4.43Å; F124-W126 HydrophobicContact CG-CZ2 4.06Å; F124-W126 PolarHBondContact O-N 3.49Å; F124-W126 PolarHBondContact O-NE1 3Å; F124-Y144 HydrophobicContact CD2-CE2 4.32Å; F124-Y144 HydrophobicContact CE2-CE2 4.11Å; F124-L223 HydrophobicContact CD2-CD1 4.01Å; F124-L223 HydrophobicContact CE1-CB 3.72Å; F124-L223 HydrophobicContact CE1-CD1 4.06Å; F124-L223 HydrophobicContact CE1-CG 4.48Å; F124-L223 HydrophobicContact CE2-CB 4.08Å; F124-L223 HydrophobicContact CE2-CD1 3.49Å; F124-L223 VanDerWaalsContact CE2-CD1 3.49Å; F124-L223 HydrophobicContact CE2-CG 4.47Å; F124-L223 HydrophobicContact CZ-CB 3.27Å; F124-L223 HydrophobicContact CZ-CD1 3.5Å; F124-L223 HydrophobicContact CZ-CG 4.04Å
125N90.9Very high88.9Confident112 Ų11279.1 Ų79.160%0.59940%0.399SS*.THydrogen-bonded Turntrans56.332.4-174.3-64.543.1000112.6C121 L122 Y127C121-N125 PolarHBondContact O-N 3.44Å; L122-N125 PolarHBondContact O-N 3.13Å; N125-Y127 HydrophobicContact CB-CE2 3.89Å; N125-Y127 WeakPolarHBondContact O-CD2 3.45Å; N125-Y127 VanDerWaalsContact O-CE2 3.23Å; N125-Y127 WeakPolarHBondContact O-CE2 3.5Å
126W92.6Very high88.6Confident25 Ų2578.1 Ų78.110%0.09539%0.394CS..  trans-89.6114.7172.9-58.7-16.1000109.4C121 F124 Y144 M147 V148 L151 L223C121-W126 HydrophobicContact CB-CB 4.1Å; C121-W126 PolarHBondContact O-N 3.17Å; F124-W126 HydrophobicContact CB-CD2 3.79Å; F124-W126 VanDerWaalsContact CB-CE2 3.5Å; F124-W126 HydrophobicContact CB-CE3 4.39Å; F124-W126 HydrophobicContact CB-CG 4.05Å; F124-W126 HydrophobicContact CB-CZ2 3.85Å; F124-W126 HydrophobicContact CD2-CE3 4.46Å; F124-W126 HydrophobicContact CD2-CH2 4.22Å; F124-W126 HydrophobicContact CD2-CZ2 4.3Å; F124-W126 HydrophobicContact CD2-CZ3 4.28Å; F124-W126 HydrophobicContact CG-CH2 4.43Å; F124-W126 HydrophobicContact CG-CZ2 4.06Å; F124-W126 PolarHBondContact O-N 3.49Å; F124-W126 PolarHBondContact O-NE1 3Å; W126-Y144 HydrophobicContact CE3-CD2 4.19Å; W126-Y144 AromaticContact CZ3-CD2 3.75Å; W126-Y144 HydrophobicContact CZ3-CD2 3.75Å; W126-Y144 AromaticContact CZ3-CE2 3.82Å; W126-Y144 HydrophobicContact CZ3-CE2 3.82Å; W126-Y144 HydrophobicContact CZ3-CG 4.23Å; W126-M147 HydrophobicContact CB-CG 4.19Å; W126-M147 HydrophobicContact CD2-CB 3.51Å; W126-M147 HydrophobicContact CD2-CE 4.3Å; W126-M147 HydrophobicContact CD2-CG 3.64Å; W126-M147 HydrophobicContact CE3-CB 3.29Å; W126-M147 HydrophobicContact CE3-CG 3.65Å; W126-M147 HydrophobicContact CG-CB 4.27Å; W126-M147 HydrophobicContact CG-CE 4.22Å; W126-M147 HydrophobicContact CG-CG 3.88Å; W126-M147 HydrophobicContact CH2-CB 3.73Å; W126-M147 HydrophobicContact CZ2-CB 4.01Å; W126-M147 HydrophobicContact CZ3-CB 3.38Å; W126-M147 HydrophobicContact CZ3-CG 4.25Å; W126-V148 HydrophobicContact CH2-CG2 3.94Å; W126-V148 HydrophobicContact CZ3-CG2 4.15Å; W126-L151 HydrophobicContact CH2-CD1 4.04Å; W126-L151 HydrophobicContact CZ2-CD1 3.28Å; W126-L151 HydrophobicContact CZ2-CG 4.48Å; W126-L223 HydrophobicContact CH2-CD1 3.44Å; W126-L223 VanDerWaalsContact CH2-CD1 3.44Å; W126-L223 HydrophobicContact CZ2-CD1 4.13Å; W126-L223 HydrophobicContact CZ3-CD1 4.22Å
127Y91.8Very high88.2Confident136 Ų13684.7 Ų84.753%0.53342%0.424SS..  trans-112.2147.9-178.3-56-81000110.4L122 N125L122-Y127 HydrophobicContact CD2-CD1 3.57Å; L122-Y127 HydrophobicContact CD2-CE1 3.51Å; N125-Y127 HydrophobicContact CB-CE2 3.89Å; N125-Y127 WeakPolarHBondContact O-CD2 3.45Å; N125-Y127 VanDerWaalsContact O-CE2 3.23Å; N125-Y127 WeakPolarHBondContact O-CE2 3.5Å
128I90.4Very high88Confident26 Ų2685 Ų8513%0.13343%0.428CS..  trans-94.4129.4172.5-57.4-175.7000107.6F130 I139 W140 H143I128-F130 HydrophobicContact CG2-CD1 3.3Å; I128-F130 HydrophobicContact CG2-CD2 4.14Å; I128-F130 HydrophobicContact CG2-CE1 3.23Å; I128-F130 HydrophobicContact CG2-CE2 4.09Å; I128-F130 HydrophobicContact CG2-CG 3.77Å; I128-F130 HydrophobicContact CG2-CZ 3.65Å; I128-F130 WeakPolarHBondContact CG2-O 3.39Å; I128-F130 PolarHBondContact O-N 3.02Å; I128-I139 HydrophobicContact CD1-CG2 3.6Å; I128-W140 HydrophobicContact CB-CH2 4.4Å; I128-W140 HydrophobicContact CD1-CD2 3.53Å; I128-W140 HydrophobicContact CD1-CE3 3.69Å; I128-W140 HydrophobicContact CD1-CG 4.04Å; I128-W140 HydrophobicContact CD1-CH2 4.14Å; I128-W140 HydrophobicContact CD1-CZ2 3.97Å; I128-W140 HydrophobicContact CD1-CZ3 4Å; I128-W140 HydrophobicContact CG1-CD2 4.28Å; I128-W140 HydrophobicContact CG1-CE3 3.99Å; I128-W140 HydrophobicContact CG1-CH2 3.91Å; I128-W140 HydrophobicContact CG1-CZ2 4.16Å; I128-W140 HydrophobicContact CG1-CZ3 3.81Å; I128-H143 HydrophobicContact CD1-CB 4.08Å; I128-H143 HydrophobicContact CG1-CB 4.32Å
129N86.6Confident88Confident170 Ų17082.5 Ų82.591%0.90942%0.417SS*.SBendtrans-78.66-176.8-61.4-36.1000113.8
130F86.9Confident88.1Confident118 Ų11879.1 Ų79.152%0.51840%0.397SS..SBendtrans-136155.6178.468.2-93.1000109.8I128 P132 I139I128-F130 HydrophobicContact CG2-CD1 3.3Å; I128-F130 HydrophobicContact CG2-CD2 4.14Å; I128-F130 HydrophobicContact CG2-CE1 3.23Å; I128-F130 HydrophobicContact CG2-CE2 4.09Å; I128-F130 HydrophobicContact CG2-CG 3.77Å; I128-F130 HydrophobicContact CG2-CZ 3.65Å; I128-F130 WeakPolarHBondContact CG2-O 3.39Å; I128-F130 PolarHBondContact O-N 3.02Å; F130-P132 HydrophobicContact CE2-CB 4.25Å; F130-P132 WeakPolarHBondContact O-CD 3.39Å; F130-I139 HydrophobicContact CE2-CD1 4.11Å; F130-I139 HydrophobicContact CE2-CG2 4.2Å; F130-I139 HydrophobicContact CZ-CD1 4.48Å; F130-I139 HydrophobicContact CZ-CG2 3.82Å
131S80.4Confident88.2Confident110 Ų11079.6 Ų79.677%0.76940%0.399SS*.  trans-85.6108.6173.4-178.70000109T133S131-T133 PolarHBondContact O-N 3.46Å
132P84.2Confident88.2Confident38 Ų3886.5 Ų86.525%0.24743%0.429CS..  trans-58.1140.2173.622.1-31.1000110.6F130 I139F130-P132 HydrophobicContact CE2-CB 4.25Å; F130-P132 WeakPolarHBondContact O-CD 3.39Å; P132-I139 HydrophobicContact CB-CB 4.44Å; P132-I139 HydrophobicContact CB-CD1 3.37Å; P132-I139 HydrophobicContact CB-CG1 4.43Å; P132-I139 HydrophobicContact CB-CG2 4.34Å
133T84.8Confident88.3Confident65 Ų6585.2 Ų85.240%0.39942%0.421SS..  trans-73.8152.6175.764.40000110S131 F135 E136S131-T133 PolarHBondContact O-N 3.46Å; T133-F135 PolarHBondContact O-N 3.4Å; T133-E136 PolarHBondContact N-OE2 2.9Å; T133-E136 PolarHBondContact O-N 2.95Å; T133-E136 VanDerWaalsContact O-N 3.1Å; T133-E136 WeakPolarHBondContact OG1-CG 3.3Å; T133-E136 PolarHBondContact OG1-OE2 3.45Å
134P79.3Confident88.4Confident123 Ų12379.9 Ų79.980%0.79940%0.401SS*.THydrogen-bonded Turntrans-59.7-17.4179.7-25.134.7000114.8
135F83.1Confident88.5Confident185 Ų18580 Ų8081%0.81140%0.404SS*.THydrogen-bonded Turntrans-91.3-16.8-177.5-54.4-70000113T133T133-F135 PolarHBondContact O-N 3.4Å
136E84.7Confident88.5Confident90 Ų9079.6 Ų79.642%0.42140%0.398SS..  trans-84.1128.1178.2-70165.4138.700110.3T133 I139T133-E136 PolarHBondContact N-OE2 2.9Å; T133-E136 PolarHBondContact O-N 2.95Å; T133-E136 VanDerWaalsContact O-N 3.1Å; T133-E136 WeakPolarHBondContact OG1-CG 3.3Å; T133-E136 PolarHBondContact OG1-OE2 3.45Å; E136-I139 HydrophobicContact CB-CD1 3.23Å; E136-I139 HydrophobicContact CB-CG1 3.91Å; E136-I139 HydrophobicContact CG-CD1 3.96Å; E136-I139 WeakPolarHBondContact OE2-CD1 3.36Å
137Q85.9Confident88.4Confident142 Ų14280 Ų8066%0.66440%0.401SS*.  trans-113.5140.6-178.2-64.2-178.94.600111.5I139Q137-I139 VanDerWaalsContact C-N 3.32Å; Q137-I139 PolarHBondContact O-N 2.84Å
138G89.4Confident88.1Confident10 Ų1075 Ų7510%0.10339%0.386CS..SBendtrans74.921.617300000113.4D114 K141 K142D114-G138 VanDerWaalsContact OD1-CA 3.22Å; D114-G138 WeakPolarHBondContact OD1-CA 3.46Å; D114-G138 PolarHBondContact OD1-N 3.3Å; D114-G138 PolarHBondContact OD2-N 3.03Å; G138-K141 PolarHBondContact O-N 2.72Å; G138-K142 VanDerWaalsContact O-CG 3.31Å; G138-K142 WeakPolarHBondContact O-CG 3.46Å; G138-K142 PolarHBondContact O-N 3.02Å
139I93.6Very high87.8Confident17 Ų1781 Ų819%0.08741%0.41CS..Hα-helixtrans-61.4-47.6176.2-69.9-175.8000110.4D114 I128 F130 P132 E136 Q137 K141 K142 H143D114-I139 PolarHBondContact OD1-N 3.06Å; D114-I139 PolarHBondContact OD2-N 3.36Å; I128-I139 HydrophobicContact CD1-CG2 3.6Å; F130-I139 HydrophobicContact CE2-CD1 4.11Å; F130-I139 HydrophobicContact CE2-CG2 4.2Å; F130-I139 HydrophobicContact CZ-CD1 4.48Å; F130-I139 HydrophobicContact CZ-CG2 3.82Å; P132-I139 HydrophobicContact CB-CB 4.44Å; P132-I139 HydrophobicContact CB-CD1 3.37Å; P132-I139 HydrophobicContact CB-CG1 4.43Å; P132-I139 HydrophobicContact CB-CG2 4.34Å; E136-I139 HydrophobicContact CB-CD1 3.23Å; E136-I139 HydrophobicContact CB-CG1 3.91Å; E136-I139 HydrophobicContact CG-CD1 3.96Å; E136-I139 WeakPolarHBondContact OE2-CD1 3.36Å; Q137-I139 VanDerWaalsContact C-N 3.32Å; Q137-I139 PolarHBondContact O-N 2.84Å; I139-K141 VanDerWaalsContact C-N 3.3Å; I139-K141 PolarHBondContact O-N 2.87Å; I139-K142 PolarHBondContact O-N 3.23Å; I139-H143 WeakPolarHBondContact O-CB 3.45Å; I139-H143 PolarHBondContact O-N 3.02Å
140W93.8Very high87.7Confident30 Ų3077.8 Ų77.811%0.11439%0.39CS..Hα-helixtrans-67.6-33.8-179.3-72.690.2000111.6D114 W117 M118 C121 L122 I128 H143 Y144D114-W140 HydrophobicContact CB-CB 4.41Å; D114-W140 HydrophobicContact CB-CG 4.37Å; D114-W140 WeakPolarHBondContact OD1-CB 3.39Å; D114-W140 PolarHBondContact OD1-N 3.18Å; W117-W140 HydrophobicContact CB-CB 3.66Å; M118-W140 HydrophobicContact CB-CB 4.42Å; M118-W140 HydrophobicContact CB-CD2 3.6Å; M118-W140 HydrophobicContact CB-CE3 4.08Å; M118-W140 HydrophobicContact CB-CG 3.77Å; M118-W140 HydrophobicContact CB-CZ2 4.31Å; M118-W140 HydrophobicContact CG-CD2 3.84Å; M118-W140 HydrophobicContact CG-CE3 4.14Å; M118-W140 HydrophobicContact CG-CG 4.47Å; M118-W140 HydrophobicContact CG-CH2 3.92Å; M118-W140 HydrophobicContact CG-CZ2 3.62Å; M118-W140 HydrophobicContact CG-CZ3 4.17Å; M118-W140 HydrophobicContact SD-CZ2 4.07Å; C121-W140 HydrophobicContact CB-CE3 3.62Å; C121-W140 HydrophobicContact CB-CZ3 3.76Å; L122-W140 HydrophobicContact CD2-CH2 4.24Å; L122-W140 HydrophobicContact CD2-CZ3 4.43Å; I128-W140 HydrophobicContact CB-CH2 4.4Å; I128-W140 HydrophobicContact CD1-CD2 3.53Å; I128-W140 HydrophobicContact CD1-CE3 3.69Å; I128-W140 HydrophobicContact CD1-CG 4.04Å; I128-W140 HydrophobicContact CD1-CH2 4.14Å; I128-W140 HydrophobicContact CD1-CZ2 3.97Å; I128-W140 HydrophobicContact CD1-CZ3 4Å; I128-W140 HydrophobicContact CG1-CD2 4.28Å; I128-W140 HydrophobicContact CG1-CE3 3.99Å; I128-W140 HydrophobicContact CG1-CH2 3.91Å; I128-W140 HydrophobicContact CG1-CZ2 4.16Å; I128-W140 HydrophobicContact CG1-CZ3 3.81Å; W140-H143 PolarHBondContact O-N 3.46Å; W140-Y144 WeakPolarHBondContact O-CB 3.3Å; W140-Y144 PolarHBondContact O-N 3.21Å
141K93.1Very high87.1Confident32 Ų3276.5 Ų76.514%0.13939%0.388CS..Hα-helixtrans-63.2-46.2172.4-178.5175.5176.31780111.5E112 W117 G138 I139 Y144 I145E112-K141 HydrophobicContact CB-CD 4.5Å; E112-K141 HydrophobicContact CG-CD 4.2Å; E112-K141 IonicContact OE1-NZ 3.38Å; E112-K141 PolarHBondContact OE1-NZ 3Å; W117-K141 HydrophobicContact CB-CB 4.25Å; W117-K141 HydrophobicContact CD2-CB 3.64Å; W117-K141 HydrophobicContact CD2-CD 4.38Å; W117-K141 HydrophobicContact CD2-CG 3.75Å; W117-K141 HydrophobicContact CE3-CB 4.16Å; W117-K141 HydrophobicContact CE3-CG 4.06Å; W117-K141 HydrophobicContact CG-CB 3.65Å; W117-K141 HydrophobicContact CG-CG 4.28Å; W117-K141 HydrophobicContact CH2-CD 4.48Å; W117-K141 HydrophobicContact CH2-CG 4.12Å; W117-K141 HydrophobicContact CZ2-CD 3.83Å; W117-K141 HydrophobicContact CZ2-CG 3.83Å; W117-K141 HydrophobicContact CZ3-CG 4.22Å; G138-K141 PolarHBondContact O-N 2.72Å; I139-K141 VanDerWaalsContact C-N 3.3Å; I139-K141 PolarHBondContact O-N 2.87Å; K141-Y144 PolarHBondContact O-N 2.95Å; K141-I145 HydrophobicContact CG-CD1 4.11Å; K141-I145 VanDerWaalsContact O-CG1 3.3Å; K141-I145 WeakPolarHBondContact O-CG1 3.45Å; K141-I145 PolarHBondContact O-N 2.87Å
142K92.3Very high86.4Confident146 Ų14678.9 Ų78.964%0.63539%0.387SS*.Hα-helixtrans-61.5-46.4176.8-71.9169.3-176.1172.30111G138 I139 Y144 I145 Q146G138-K142 VanDerWaalsContact O-CG 3.31Å; G138-K142 WeakPolarHBondContact O-CG 3.46Å; G138-K142 PolarHBondContact O-N 3.02Å; I139-K142 PolarHBondContact O-N 3.23Å; K142-Y144 PolarHBondContact O-N 2.9Å; K142-I145 PolarHBondContact O-N 3.42Å; K142-Q146 PolarHBondContact O-N 3.42Å
143H93.1Very high85.2Confident32 Ų3279.2 Ų79.215%0.14839%0.388CS..Hα-helixtrans-60.3-45.6176.8-177.263000111.7I128 I139 W140 I145 Q146 M147I128-H143 HydrophobicContact CD1-CB 4.08Å; I128-H143 HydrophobicContact CG1-CB 4.32Å; I139-H143 WeakPolarHBondContact O-CB 3.45Å; I139-H143 PolarHBondContact O-N 3.02Å; W140-H143 PolarHBondContact O-N 3.46Å; H143-I145 VanDerWaalsContact C-N 3.32Å; H143-I145 PolarHBondContact O-N 3.37Å; H143-Q146 WeakPolarHBondContact O-CB 3.11Å; H143-Q146 PolarHBondContact O-N 3Å; H143-Q146 VanDerWaalsContact O-N 3.12Å; H143-M147 WeakPolarHBondContact O-CG 3.29Å; H143-M147 PolarHBondContact O-N 2.98Å
144Y92.1Very high83.4Confident14 Ų1482 Ų826%0.05541%0.405CS..Hα-helixtrans-55.1-47.7175-171.5-85.3000111.9P94 W117 K120 F124 W126 W140 K141 K142 Q146 M147 V148 L223P94-Y144 HydrophobicContact CB-CE1 3.96Å; P94-Y144 HydrophobicContact CG-CE1 3.89Å; P94-Y144 HydrophobicContact CG-CE2 4.22Å; P94-Y144 WeakPolarHBondContact CG-OH 3.26Å; W117-Y144 HydrophobicContact CE3-CD1 4.09Å; W117-Y144 HydrophobicContact CE3-CD2 4.38Å; W117-Y144 AromaticContact CE3-CG 3.83Å; W117-Y144 HydrophobicContact CE3-CG 3.83Å; W117-Y144 AromaticContact CZ3-CD1 3.63Å; W117-Y144 HydrophobicContact CZ3-CD1 3.63Å; W117-Y144 HydrophobicContact CZ3-CE1 4.2Å; W117-Y144 AromaticContact CZ3-CG 3.87Å; W117-Y144 HydrophobicContact CZ3-CG 3.87Å; K120-Y144 HydrophobicContact CB-CD2 4.2Å; K120-Y144 HydrophobicContact CB-CE2 4.07Å; F124-Y144 HydrophobicContact CD2-CE2 4.32Å; F124-Y144 HydrophobicContact CE2-CE2 4.11Å; W126-Y144 HydrophobicContact CE3-CD2 4.19Å; W126-Y144 AromaticContact CZ3-CD2 3.75Å; W126-Y144 HydrophobicContact CZ3-CD2 3.75Å; W126-Y144 AromaticContact CZ3-CE2 3.82Å; W126-Y144 HydrophobicContact CZ3-CE2 3.82Å; W126-Y144 HydrophobicContact CZ3-CG 4.23Å; W140-Y144 WeakPolarHBondContact O-CB 3.3Å; W140-Y144 PolarHBondContact O-N 3.21Å; K141-Y144 PolarHBondContact O-N 2.95Å; K142-Y144 PolarHBondContact O-N 2.9Å; Y144-Q146 VanDerWaalsContact C-N 3.32Å; Y144-Q146 PolarHBondContact O-N 3.43Å; Y144-M147 PolarHBondContact O-N 3.37Å; Y144-V148 HydrophobicContact CD1-CG2 3.88Å; Y144-V148 HydrophobicContact CE1-CG2 3.5Å; Y144-V148 VanDerWaalsContact O-CG2 3.26Å; Y144-V148 WeakPolarHBondContact O-CG2 3.45Å; Y144-V148 PolarHBondContact O-N 3.22Å; Y144-L223 HydrophobicContact CE2-CD1 4.41Å; Y144-L223 WeakPolarHBondContact OH-CD1 3.42Å
145I90.3Very high82Confident59 Ų5982.5 Ų82.530%0.30340%0.395SS..Hα-helixtrans-63.7-39.7179.3-67.5165.5000110.9K141 K142 H143 K149K141-I145 HydrophobicContact CG-CD1 4.11Å; K141-I145 VanDerWaalsContact O-CG1 3.3Å; K141-I145 WeakPolarHBondContact O-CG1 3.45Å; K141-I145 PolarHBondContact O-N 2.87Å; K142-I145 PolarHBondContact O-N 3.42Å; H143-I145 VanDerWaalsContact C-N 3.32Å; H143-I145 PolarHBondContact O-N 3.37Å; I145-K149 HydrophobicContact CG2-CD 4.33Å; I145-K149 VanDerWaalsContact O-CG 3.29Å; I145-K149 WeakPolarHBondContact O-CG 3.36Å; I145-K149 PolarHBondContact O-N 3.01Å
146Q90.4Very high80.1Confident103 Ų10375.1 Ų75.148%0.48137%0.365SS..Hα-helixtrans-63.2-51.2176.3178.7177.7-20.800111.2K142 H143 Y144 V148 K149 E150K142-Q146 PolarHBondContact O-N 3.42Å; H143-Q146 WeakPolarHBondContact O-CB 3.11Å; H143-Q146 PolarHBondContact O-N 3Å; H143-Q146 VanDerWaalsContact O-N 3.12Å; Y144-Q146 VanDerWaalsContact C-N 3.32Å; Y144-Q146 PolarHBondContact O-N 3.43Å; Q146-V148 VanDerWaalsContact C-N 3.33Å; Q146-V148 PolarHBondContact O-N 3.47Å; Q146-K149 WeakPolarHBondContact O-CB 3.35Å; Q146-K149 PolarHBondContact O-N 3.01Å; Q146-E150 VanDerWaalsContact CG-OE1 3.29Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.4Å; Q146-E150 PolarHBondContact NE2-OE1 3.44Å; Q146-E150 PolarHBondContact O-N 2.89Å
147M89.8Confident77.9Confident33 Ų3380.2 Ų80.216%0.16339%0.386CS..Hα-helixtrans-59.5-41.5179.5-69.9-53.3-45.400112.5W126 H143 Y144 K149 E150 L151W126-M147 HydrophobicContact CB-CG 4.19Å; W126-M147 HydrophobicContact CD2-CB 3.51Å; W126-M147 HydrophobicContact CD2-CE 4.3Å; W126-M147 HydrophobicContact CD2-CG 3.64Å; W126-M147 HydrophobicContact CE3-CB 3.29Å; W126-M147 HydrophobicContact CE3-CG 3.65Å; W126-M147 HydrophobicContact CG-CB 4.27Å; W126-M147 HydrophobicContact CG-CE 4.22Å; W126-M147 HydrophobicContact CG-CG 3.88Å; W126-M147 HydrophobicContact CH2-CB 3.73Å; W126-M147 HydrophobicContact CZ2-CB 4.01Å; W126-M147 HydrophobicContact CZ3-CB 3.38Å; W126-M147 HydrophobicContact CZ3-CG 4.25Å; H143-M147 WeakPolarHBondContact O-CG 3.29Å; H143-M147 PolarHBondContact O-N 2.98Å; Y144-M147 PolarHBondContact O-N 3.37Å; M147-K149 VanDerWaalsContact C-N 3.29Å; M147-K149 PolarHBondContact O-N 3.45Å; M147-E150 PolarHBondContact O-N 2.85Å; M147-L151 WeakPolarHBondContact O-CG 3.43Å; M147-L151 PolarHBondContact O-N 2.9Å
148V86.4Confident76.1Confident33 Ų3378.2 Ų78.220%0.238%0.383CS..Hα-helixtrans-60.6-38.2174.8170.20000112.1W126 Y144 Q146 L223W126-V148 HydrophobicContact CH2-CG2 3.94Å; W126-V148 HydrophobicContact CZ3-CG2 4.15Å; Y144-V148 HydrophobicContact CD1-CG2 3.88Å; Y144-V148 HydrophobicContact CE1-CG2 3.5Å; Y144-V148 VanDerWaalsContact O-CG2 3.26Å; Y144-V148 WeakPolarHBondContact O-CG2 3.45Å; Y144-V148 PolarHBondContact O-N 3.22Å; Q146-V148 VanDerWaalsContact C-N 3.33Å; Q146-V148 PolarHBondContact O-N 3.47Å; V148-L223 HydrophobicContact CG2-CD1 4Å
149K84Confident74Confident151 Ų15182.1 Ų82.166%0.65741%0.407SS*.Hα-helixtrans-68.6-42.2177.1-72.8170.6177.4-178.60111.5I145 Q146 M147 L151 H152I145-K149 HydrophobicContact CG2-CD 4.33Å; I145-K149 VanDerWaalsContact O-CG 3.29Å; I145-K149 WeakPolarHBondContact O-CG 3.36Å; I145-K149 PolarHBondContact O-N 3.01Å; Q146-K149 WeakPolarHBondContact O-CB 3.35Å; Q146-K149 PolarHBondContact O-N 3.01Å; M147-K149 VanDerWaalsContact C-N 3.29Å; M147-K149 PolarHBondContact O-N 3.45Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 3.31Å; K149-H152 PolarHBondContact O-N 3.37Å
150E83.6Confident71.3Confident102 Ų10286.4 Ų86.448%0.47744%0.436SS..Hα-helixtrans-63.7-37.7179.7-72.6174.5-168.800112.2Q146 M147 H152Q146-E150 VanDerWaalsContact CG-OE1 3.29Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.4Å; Q146-E150 PolarHBondContact NE2-OE1 3.44Å; Q146-E150 PolarHBondContact O-N 2.89Å; M147-E150 PolarHBondContact O-N 2.85Å; E150-H152 PolarHBondContact O-N 3.27Å; E150-H152 VanDerWaalsContact O-N 3.11Å; E150-H152 PolarHBondContact O-ND1 3.13Å
151L75.3Confident69.4Low91 Ų9195.2 Ų95.248%0.47648%0.475SS..THydrogen-bonded Turntrans-71.90.3178.6-71.1178.6000114.8W126 M147 K149 V153W126-L151 HydrophobicContact CH2-CD1 4.04Å; W126-L151 HydrophobicContact CZ2-CD1 3.28Å; W126-L151 HydrophobicContact CZ2-CG 4.48Å; M147-L151 WeakPolarHBondContact O-CG 3.43Å; M147-L151 PolarHBondContact O-N 2.9Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 3.31Å; L151-V153 HydrophobicContact CB-CG2 3.69Å; L151-V153 PolarHBondContact O-N 2.9Å
152H64.8Low67.5Low161 Ų161101 Ų10175%0.74551%0.508SS*.THydrogen-bonded Turntrans46.234-177.9-65.481.5000113K149 E150 T154K149-H152 PolarHBondContact O-N 3.37Å; E150-H152 PolarHBondContact O-N 3.27Å; E150-H152 VanDerWaalsContact O-N 3.11Å; E150-H152 PolarHBondContact O-ND1 3.13Å; H152-T154 PolarHBondContact O-N 2.85Å
153V59.3Low65.1Low44 Ų4497 Ų9727%0.26751%0.508SS..  trans-56.1104.6-173.9175.30000107.9L151 K155 Y222 L223L151-V153 HydrophobicContact CB-CG2 3.69Å; L151-V153 PolarHBondContact O-N 2.9Å; V153-K155 PolarHBondContact O-N 2.83Å; V153-Y222 VanDerWaalsContact CG1-O 3.28Å; V153-Y222 WeakPolarHBondContact CG1-O 3.49Å; V153-L223 HydrophobicContact CB-CD2 4.43Å; V153-L223 HydrophobicContact CG1-CD2 4.12Å; V153-L223 HydrophobicContact CG2-CD2 3.51Å
154T47.3Very low62.3Low123 Ų123105.2 Ų105.276%0.75554%0.544SS*.  trans-60.4141-177.550.10000108.2H152H152-T154 PolarHBondContact O-N 2.85Å
155K49.2Very low59.7Low135 Ų135110.9 Ų110.959%0.58758%0.579SS**  trans-37.2144.5178.3-70.9172177.5169.50111.3V153 K157V153-K155 PolarHBondContact O-N 2.83Å; K155-K157 PolarHBondContact O-N 2.88Å
156P44.4Very low57.1Low29 Ų29114.7 Ų114.719%0.18860%0.599CS.*  trans-49.1121.9168.520.4-31.5000107.4T158 F220 Y222P156-T158 PolarHBondContact O-N 3.13Å; P156-F220 HydrophobicContact CB-CB 3.93Å; P156-F220 HydrophobicContact CB-CD1 3.76Å; P156-F220 HydrophobicContact CB-CG 3.99Å; P156-F220 HydrophobicContact CG-CB 4.29Å; P156-Y222 HydrophobicContact CG-CE1 4.08Å
157K38.7Very low54.3Low197 Ų197113.4 Ų113.486%0.85761%0.606SS**  trans-64.892.4175.2-140.3173.9-173.1174.90104.6K155 P159K155-K157 PolarHBondContact O-N 2.88Å; K157-P159 WeakPolarHBondContact O-CD 3.36Å
158T46.2Very low51.5Low100 Ų100119 Ų11961%0.61364%0.636SS**PPolyproline II helixtrans-54.9127162.844.80000105.2P156P156-T158 PolarHBondContact O-N 3.13Å
159P45.6Very low49Very low92 Ų92124 Ų12460%0.59767%0.667SS**PPolyproline II helixtrans-46.8131.9166.4-23.431.9000107.6K157 K161K157-P159 WeakPolarHBondContact O-CD 3.36Å; P159-K161 PolarHBondContact O-N 3.02Å
160P38.5Very low46.3Very low108 Ų108125.1 Ų125.170%0.70168%0.675SS**PPolyproline II helixtrans-48.1129.6171.5-24.833.2000108.1D162P160-D162 PolarHBondContact O-N 3.42Å
161K53.1Low43.6Very low214 Ų214127.3 Ų127.393%0.9369%0.689SS**SBendtrans-72.838.8172.2-66.7-172.1175.3-170.40111.3P159P159-K161 PolarHBondContact O-N 3.02Å
162D53Low41.5Very low154 Ų154129.3 Ų129.382%0.82470%0.704SS**  trans-113.8115.4170.4-93.2-14.9000107.2P160P160-D162 PolarHBondContact O-N 3.42Å
163G42.3Very low39.9Very low63 Ų63127 Ų12765%0.64970%0.702SS**  trans112.238168.200000116.9
164F34Very low38.4Very low203 Ų203130.2 Ų130.289%0.8973%0.726SS**  trans-117.175.2142.2-94.9-88.3000107.7I166F164-I166 PolarHBondContact O-N 3.16Å
165V37.8Very low37.3Very low133 Ų133132.1 Ų132.181%0.80673%0.732SS**  trans-66.994.9156.11780000104.9A167V165-A167 PolarHBondContact O-N 3.15Å; V165-A167 VanDerWaalsContact O-N 3.13Å
166I35.5Very low36.3Very low139 Ų139131.2 Ų131.271%0.71374%0.742SS**  trans-63.4110.9155.1-63.7172.3000103.3F164 D168F164-I166 PolarHBondContact O-N 3.16Å; I166-D168 PolarHBondContact O-N 3.37Å
167A31.4Very low35.7Very low76 Ų76135 Ų13563%0.62877%0.767SS**  trans-56.8111.7169.900000106.9V165 V169V165-A167 PolarHBondContact O-N 3.15Å; V165-A167 VanDerWaalsContact O-N 3.13Å; A167-V169 PolarHBondContact O-N 3.34Å
168D30.7Very low35.2Very low150 Ų150134.5 Ų134.580%0.80277%0.768SS**  trans-55.7110.3168.1-83-37.7000107.1I166 Q170I166-D168 PolarHBondContact O-N 3.37Å; D168-Q170 PolarHBondContact O-N 3.3Å
169V34.4Very low34.2Very low140 Ų140136.8 Ų136.885%0.84877%0.772SS**  trans-64.5105.8165.1174.70000105.4A167 L171A167-V169 PolarHBondContact O-N 3.34Å; V169-L171 PolarHBondContact O-N 3.14Å
170Q27.1Very low33.4Very low174 Ų174139.2 Ų139.281%0.81377%0.773SS**  trans-55.4109.1172.1-79.8-171.5-22.300109.2D168 V172D168-Q170 PolarHBondContact O-N 3.3Å; Q170-V172 PolarHBondContact O-N 2.99Å
171L27.8Very low32.9Very low147 Ų147142.3 Ų142.377%0.7778%0.778SS**  trans-72.9110.5157.6-172.978.8000106.6V169 T173V169-L171 PolarHBondContact O-N 3.14Å; L171-T173 HydrophobicContact CD2-CG2 4.12Å; L171-T173 PolarHBondContact O-N 3.26Å
172V30.3Very low31.6Very low133 Ų133137.6 Ų137.681%0.80677%0.772SS**  trans-63.2102.7170.6175.70000108Q170Q170-V172 PolarHBondContact O-N 2.99Å
173T30.4Very low31Very low112 Ų112135.3 Ų135.369%0.68777%0.765SS**  trans-102.3115.8161.944.10000108.6L171L171-T173 HydrophobicContact CD2-CG2 4.12Å; L171-T173 PolarHBondContact O-N 3.26Å
174S29.3Very low30.2Very low113 Ų113140 Ų14079%0.7978%0.775SS**  trans-58.6140.8172.949.90000112.3
175N24.8Very low30Very low163 Ų163135.8 Ų135.887%0.87277%0.77SS**  trans-59.1146.3-179.4-59.1-33.9000114.7
176S27.5Very low29.5Very low115 Ų115133.2 Ų133.280%0.80476%0.763SS**  trans-162.4137.4138.3-169.40000110.9
177P32.3Very low29.2Very low110 Ų110136.8 Ų136.871%0.71477%0.774SS**  trans-106143.4-179.537.3-27000112.8
178E26.8Very low29.1Very low186 Ų186144.5 Ų144.587%0.86979%0.787SS**  trans-177.9107.3153.4-104.8166.8175.900108.9
179E25.7Very low28.9Very low147 Ų147143.3 Ų143.369%0.68779%0.79SS**  79.2116.398-95.5-155.4155.100116.9
180K28.4Very low28.7Very low144 Ų144142.1 Ų142.163%0.62679%0.788SS**  trans88.5121.7137.7-76.2168.9-179.2151.50121.8
181Q28.8Very low28.8Very low173 Ų173138.5 Ų138.581%0.80878%0.782SS**  trans95.191.4133.8-66.3167.135.600121.1
182S24.5Very low29.1Very low114 Ų114137.2 Ų137.280%0.79779%0.785SS**  trans-14.1170.5130.4-67.90000120
183P41.8Very low29.3Very low106 Ų106137.2 Ų137.269%0.68878%0.78SS**  cis-151.8-174-25.541.5-20.2000117.8
184L25.7Very low29.5Very low163 Ų163142.9 Ų142.985%0.85379%0.789SS**  trans83.9118.7150.2-65.5171.8000122.7
185S28.6Very low29.5Very low113 Ų113145.8 Ų145.879%0.7979%0.787SS**  -174.9111111.945.30000110.7
186A27.4Very low30.3Very low80 Ų80147.5 Ų147.566%0.66179%0.787SS**  60.2108.4108.600000112.7
187F30Very low30.4Very low214 Ų214147.3 Ų147.394%0.93978%0.777SS**  -135.9131.477.4-87.7-88.9000114.1
188R28.4Very low31Very low238 Ų238149.7 Ų149.790%0.89878%0.784SS**  trans-66.9135.8168.1-69174.1175.8176.7-1.6109.7
189S27.5Very low31.4Very low125 Ų125146 Ų14687%0.87478%0.778SS**  trans-118.6112.9142.6-77.60000107.2
190S30Very low31.8Very low115 Ų115142.1 Ų142.180%0.80478%0.778SS**  trans-64.3125.2-179.441.80000111.3
191S29.6Very low32.2Very low97 Ų97144.3 Ų144.368%0.67879%0.79SS**  trans-54.4142159.754.20000112.4
192S33.1Very low32.9Very low121 Ų121145.4 Ų145.485%0.84679%0.793SS**  trans-105.4114.413671.50000108.9
193L34.8Very low33.6Very low132 Ų132144 Ų14469%0.69179%0.788SS**  trans-55.6147.7156.8-72.9100.3000107.5
194R34.6Very low33.8Very low232 Ų232143.6 Ų143.688%0.87578%0.779SS**  cis-179.9142.644.2-138.4166.5-172.4-172.12.3104.5
195K29.9Very low34.6Very low173 Ų173139.6 Ų139.675%0.75276%0.763SS**  164.297.9119.6-154.7162.1-170.5173.50108.6N197K195-N197 VanDerWaalsContact C-N 3.3Å; K195-N197 PolarHBondContact O-N 3.48Å
196K42.1Very low35.2Very low200 Ų200139 Ų13987%0.8776%0.756SS**  trans-64.994.1160.8-174.6180-177.31800106.7
197N29Very low36.2Very low111 Ų111144.1 Ų144.159%0.59476%0.759SS**  trans-115.7120.3160.3-84.79000106.5K195 S199K195-N197 VanDerWaalsContact C-N 3.3Å; K195-N197 PolarHBondContact O-N 3.48Å; N197-S199 PolarHBondContact O-N 2.83Å; N197-S199 VanDerWaalsContact O-N 3.16Å
198N44.4Very low37.3Very low160 Ų160141.4 Ų141.486%0.85674%0.742SS**  trans-60.5111.7163.9-73.9-21000108.1
199S35.5Very low37.8Very low107 Ų107135.3 Ų135.375%0.74874%0.737SS**  trans-169.2116.2156.947.30000111.2N197N197-S199 PolarHBondContact O-N 2.83Å; N197-S199 VanDerWaalsContact O-N 3.16Å
200G34Very low38.6Very low67 Ų67132.7 Ų132.769%0.69172%0.718SS**  trans79.8103.2165.500000114.4K202G200-K202 VanDerWaalsContact C-N 3.32Å; G200-K202 PolarHBondContact O-N 2.92Å
201Q37.5Very low39.7Very low189 Ų189132.1 Ų132.188%0.88371%0.706SS**  trans-48.8106.2150.5-73.7-168.40.500106.8A203Q201-A203 PolarHBondContact O-N 3.01Å
202K42Very low40.7Very low197 Ų197136.3 Ų136.386%0.85771%0.712SS**  trans-55.7112.7171.7-75.6-175.3-180-1790105.6G200 L204G200-K202 VanDerWaalsContact C-N 3.32Å; G200-K202 PolarHBondContact O-N 2.92Å; K202-L204 PolarHBondContact O-N 2.98Å
203A40.4Very low41.3Very low85 Ų85137.5 Ų137.570%0.70270%0.704SS**  trans-52.4108.1-177.400000107.4Q201Q201-A203 PolarHBondContact O-N 3.01Å
204L44.7Very low42.1Very low96 Ų96135.6 Ų135.650%0.50370%0.699SS.*  trans-57.8133.6174.9-65.4170.9000106.8K202K202-L204 PolarHBondContact O-N 2.98Å
205P42.3Very low42.7Very low79 Ų79130.6 Ų130.651%0.51370%0.695SS.*  trans-56.3152.7-174.721.7-32000109.9W207P205-W207 PolarHBondContact O-N 3.02Å
206P42.5Very low43.7Very low100 Ų100126.5 Ų126.565%0.64968%0.681SS**SBendtrans-54.2-18.4176.7-23.732.4000113.6
207W46.8Very low44.1Very low189 Ų189125 Ų12572%0.71668%0.681SS**  trans-106.4124.6-172.9-3497.2000110.1P205P205-W207 PolarHBondContact O-N 3.02Å
208R53.4Low45Very low156 Ų156124.7 Ų124.759%0.58968%0.678SS**  trans-106.9138.9163.8-62.9-141.2-172.7-75.12.7108.8
209S40.6Very low45.5Very low111 Ų111125.1 Ų125.178%0.77667%0.668SS**PPolyproline II helixtrans-58.6154.516424.80000110.3D211S209-D211 PolarHBondContact O-N 3Å
210S43.3Very low46.1Very low69 Ų69122.1 Ų122.148%0.48364%0.641SS.*PPolyproline II helixtrans-52.2124.2176.1-61.90000110.3K212S210-K212 PolarHBondContact O-N 3.41Å
211D52.4Low47.2Very low103 Ų103119.2 Ų119.255%0.55161%0.61SS**PPolyproline II helixtrans-64.9128.2174.5-165.9-17.9000109S209 H213S209-D211 PolarHBondContact O-N 3Å; D211-H213 PolarHBondContact O-N 3.01Å; D211-H213 PolarHBondContact OD1-N 3.31Å
212K51.9Low48.1Very low185 Ų185113.9 Ų113.980%0.80458%0.582SS**SBendtrans-72.6-19.8179.2-67.3-177.8179-176.20111.6S210S210-K212 PolarHBondContact O-N 3.41Å
213H45.6Very low48.8Very low147 Ų147106.3 Ų106.368%0.68155%0.551SS**SBendtrans-13971.7-178.1-56.686.8000110.2D211 T215D211-H213 PolarHBondContact O-N 3.01Å; D211-H213 PolarHBondContact OD1-N 3.31Å; H213-T215 PolarHBondContact O-N 2.88Å
214P51.6Low49.5Very low91 Ų91104.6 Ų104.659%0.59153%0.53SS*.  trans-66.6107.1-178.127.3-32.3000110.1
215T47Very low49.9Very low128 Ų128103.8 Ų103.879%0.78553%0.526SS*.  trans-90.4-11.817447.70000113H213H213-T215 PolarHBondContact O-N 2.88Å
216D51Low49.9Very low87 Ų87103.7 Ų103.747%0.46553%0.527SS..  trans-87.4110.3177.3-107.5-54.7000111.6F220D216-F220 HydrophobicContact CB-CE2 4.32Å; D216-F220 VanDerWaalsContact CG-CE2 3.5Å; D216-F220 WeakPolarHBondContact OD2-CE2 3.47Å
217I49.3Very low50.3Low169 Ų169104.2 Ų104.287%0.86752%0.524SS*.  trans-74.1-19.3165.8-36.5175.2000109.8R219I217-R219 PolarHBondContact O-N 3.47Å
218I49.3Very low50.3Low103 Ų103100.3 Ų100.353%0.52852%0.523SS..SBendtrans-78.2103.5175.6-55.4176.1000107.7F220I218-F220 VanDerWaalsContact C-N 3.34Å; I218-F220 HydrophobicContact CG2-CD1 4.39Å; I218-F220 HydrophobicContact CG2-CE1 4.28Å; I218-F220 PolarHBondContact O-N 2.88Å
219R53.8Low50Low169 Ų16998.3 Ų98.364%0.63852%0.523SS*.  trans-67.195.8170.6-68.6-179-178.5151.40.8107.6I217 N221I217-R219 PolarHBondContact O-N 3.47Å; R219-N221 PolarHBondContact O-N 3.32Å
220F49.6Very low50.4Low44 Ų4498.2 Ų98.219%0.19351%0.511CS..  trans-63.685171.4-67.2-70000110.4P156 D216 I218P156-F220 HydrophobicContact CB-CB 3.93Å; P156-F220 HydrophobicContact CB-CD1 3.76Å; P156-F220 HydrophobicContact CB-CG 3.99Å; P156-F220 HydrophobicContact CG-CB 4.29Å; D216-F220 HydrophobicContact CB-CE2 4.32Å; D216-F220 VanDerWaalsContact CG-CE2 3.5Å; D216-F220 WeakPolarHBondContact OD2-CE2 3.47Å; I218-F220 VanDerWaalsContact C-N 3.34Å; I218-F220 HydrophobicContact CG2-CD1 4.39Å; I218-F220 HydrophobicContact CG2-CE1 4.28Å; I218-F220 PolarHBondContact O-N 2.88Å
221N56.2Low50.7Low6 Ų699.8 Ų99.83%0.03252%0.517CS..  trans-88.5126.9165.3-173.12.3000107D93 R219 L223 D224 N225D93-N221 HydrophobicContact CB-CB 4.18Å; D93-N221 VanDerWaalsContact CB-ND2 3.32Å; D93-N221 WeakPolarHBondContact CB-ND2 3.39Å; R219-N221 PolarHBondContact O-N 3.32Å; N221-L223 PolarHBondContact O-N 3.31Å; N221-D224 HydrophobicContact CB-CB 3.59Å; N221-D224 WeakPolarHBondContact ND2-CB 3.47Å; N221-D224 PolarHBondContact ND2-OD2 2.7Å; N221-D224 VanDerWaalsContact ND2-OD2 3.16Å; N221-D224 PolarHBondContact O-N 2.91Å; N221-N225 VanDerWaalsContact O-CG 3.31Å; N221-N225 PolarHBondContact O-ND2 2.99Å; N221-N225 VanDerWaalsContact O-ND2 3.08Å; N221-N225 PolarHBondContact O-OD1 3.01Å
222Y55.6Low50.4Low77 Ų7799.4 Ų99.430%0.30252%0.518SS..THydrogen-bonded Turntrans-59.8-23.1-171-68-96.5000113.3R95 V153 P156R95-Y222 PolarHBondContact NH1-OH 2.96Å; R95-Y222 VanDerWaalsContact NH1-OH 3.09Å; V153-Y222 VanDerWaalsContact CG1-O 3.28Å; V153-Y222 WeakPolarHBondContact CG1-O 3.49Å; P156-Y222 HydrophobicContact CG-CE1 4.08Å
223L58.3Low49.8Very low39 Ų3998.5 Ų98.520%0.20451%0.51CS..THydrogen-bonded Turntrans-121.55.8-177.7-57.6179.3000113.8F124 W126 Y144 V148 V153 N221F124-L223 HydrophobicContact CD2-CD1 4.01Å; F124-L223 HydrophobicContact CE1-CB 3.72Å; F124-L223 HydrophobicContact CE1-CD1 4.06Å; F124-L223 HydrophobicContact CE1-CG 4.48Å; F124-L223 HydrophobicContact CE2-CB 4.08Å; F124-L223 HydrophobicContact CE2-CD1 3.49Å; F124-L223 VanDerWaalsContact CE2-CD1 3.49Å; F124-L223 HydrophobicContact CE2-CG 4.47Å; F124-L223 HydrophobicContact CZ-CB 3.27Å; F124-L223 HydrophobicContact CZ-CD1 3.5Å; F124-L223 HydrophobicContact CZ-CG 4.04Å; W126-L223 HydrophobicContact CH2-CD1 3.44Å; W126-L223 VanDerWaalsContact CH2-CD1 3.44Å; W126-L223 HydrophobicContact CZ2-CD1 4.13Å; W126-L223 HydrophobicContact CZ3-CD1 4.22Å; Y144-L223 HydrophobicContact CE2-CD1 4.41Å; Y144-L223 WeakPolarHBondContact OH-CD1 3.42Å; V148-L223 HydrophobicContact CG2-CD1 4Å; V153-L223 HydrophobicContact CB-CD2 4.43Å; V153-L223 HydrophobicContact CG1-CD2 4.12Å; V153-L223 HydrophobicContact CG2-CD2 3.51Å; N221-L223 PolarHBondContact O-N 3.31Å
224D55.3Low49.8Very low49 Ų4997.8 Ų97.826%0.26251%0.507SS..  trans-145.736.8-162.8-136.315.2000110.2R123 N221 C226R123-D224 IonicContact CZ-OD1 2.87Å; R123-D224 IonicContact CZ-OD2 3.01Å; R123-D224 IonicContact NH1-OD1 3.81Å; R123-D224 PolarHBondContact NH1-OD1 3.44Å; R123-D224 IonicContact NH1-OD2 2.72Å; R123-D224 PolarHBondContact NH1-OD2 2.94Å; R123-D224 IonicContact NH2-OD1 3.26Å; R123-D224 PolarHBondContact NH2-OD1 3.4Å; R123-D224 IonicContact NH2-OD2 2.68Å; R123-D224 PolarHBondContact NH2-OD2 3.26Å; N221-D224 HydrophobicContact CB-CB 3.59Å; N221-D224 WeakPolarHBondContact ND2-CB 3.47Å; N221-D224 PolarHBondContact ND2-OD2 2.7Å; N221-D224 VanDerWaalsContact ND2-OD2 3.16Å; N221-D224 PolarHBondContact O-N 2.91Å; D224-C226 PolarHBondContact O-N 3.45Å
225N53Low49.6Very low78 Ų7895.9 Ų95.942%0.41750%0.504SS..  trans-7777.6161.9-53.6-64.1000105.6N221 D227N221-N225 VanDerWaalsContact O-CG 3.31Å; N221-N225 PolarHBondContact O-ND2 2.99Å; N221-N225 VanDerWaalsContact O-ND2 3.08Å; N221-N225 PolarHBondContact O-OD1 3.01Å; N225-D227 PolarHBondContact O-N 3.29Å
226C42.5Very low49.6Very low78 Ų7898.1 Ų98.153%0.52750%0.498SS..  trans-62.5111.2162.2-69.50000105.8D224D224-C226 PolarHBondContact O-N 3.45Å
227D49.1Very low49Very low111 Ų111100.7 Ų100.759%0.59451%0.505SS*.  trans-53.7130.5167.1-84.6-36.3000107.1N225 L229 E230N225-D227 PolarHBondContact O-N 3.29Å; D227-L229 CarbonylContact O-C 3.6Å; D227-L229 PolarHBondContact O-N 3.32Å; D227-E230 PolarHBondContact O-N 2.97Å
228P47.3Very low48.8Very low107 Ų107101.5 Ų101.570%0.69550%0.502SS*.THydrogen-bonded Turntrans-52-17.2178.5-28.434.5000114
229L47.7Very low48.7Very low113 Ų113107 Ų10759%0.59252%0.516SS*.THydrogen-bonded Turntrans-72-43172.2-110.681.3000113.4D227 T231 V232 W233D227-L229 CarbonylContact O-C 3.6Å; D227-L229 PolarHBondContact O-N 3.32Å; L229-T231 PolarHBondContact O-N 3Å; L229-T231 VanDerWaalsContact O-N 3.12Å; L229-V232 WeakPolarHBondContact O-CA 3.38Å; L229-V232 VanDerWaalsContact O-CB 3.31Å; L229-V232 WeakPolarHBondContact O-CB 3.46Å; L229-V232 PolarHBondContact O-N 3.39Å; L229-W233 PolarHBondContact O-N 2.88Å; L229-W233 VanDerWaalsContact O-N 3.17Å
230E48.6Very low48.1Very low110 Ų110105.5 Ų105.551%0.51452%0.521SS..Hα-helixtrans-59.1-33.8-169.5-85.2-148.1142.900113.4D227 V232 W233 Q234D227-E230 PolarHBondContact O-N 2.97Å; E230-V232 PolarHBondContact O-N 3.02Å; E230-W233 PolarHBondContact O-N 2.73Å; E230-Q234 WeakPolarHBondContact O-CG 3.29Å; E230-Q234 PolarHBondContact O-N 3.49Å
231T49.4Very low47.8Very low101 Ų101110.5 Ų110.562%0.6255%0.545SS*.Hα-helixtrans-63.3-32.7176-25.60000112L229 G235L229-T231 PolarHBondContact O-N 3Å; L229-T231 VanDerWaalsContact O-N 3.12Å; T231-G235 PolarHBondContact O-N 3.26Å
232V47.3Very low46.8Very low95 Ų95118.1 Ų118.158%0.57658%0.582SS**Hα-helixtrans-75.3-38.6177-177.30000111.1L229 E230 R236L229-V232 WeakPolarHBondContact O-CA 3.38Å; L229-V232 VanDerWaalsContact O-CB 3.31Å; L229-V232 WeakPolarHBondContact O-CB 3.46Å; L229-V232 PolarHBondContact O-N 3.39Å; E230-V232 PolarHBondContact O-N 3.02Å; V232-R236 PolarHBondContact O-N 3.25Å
233W38.3Very low45.7Very low167 Ų167120.3 Ų120.363%0.63360%0.604SS**Hα-helixtrans-71.8-37.5178.3-70.985.8000112.4L229 E230 R236 K237L229-W233 PolarHBondContact O-N 2.88Å; L229-W233 VanDerWaalsContact O-N 3.17Å; E230-W233 PolarHBondContact O-N 2.73Å; W233-R236 PolarHBondContact O-N 2.87Å; W233-K237 WeakPolarHBondContact O-CB 3.41Å; W233-K237 PolarHBondContact O-N 3.25Å
234Q46Very low44.6Very low132 Ų132123.9 Ų123.962%0.61763%0.63SS**Hα-helixtrans-66.8-36.2174.8-71-171.61400112.4E230 R236 K238E230-Q234 WeakPolarHBondContact O-CG 3.29Å; E230-Q234 PolarHBondContact O-N 3.49Å; Q234-R236 VanDerWaalsContact C-N 3.27Å; Q234-R236 PolarHBondContact O-N 3.45Å; Q234-K238 WeakPolarHBondContact O-CB 3.43Å; Q234-K238 PolarHBondContact O-N 3.12Å; Q234-K238 VanDerWaalsContact O-N 3.14Å
235G46.6Very low43.3Very low51 Ų51128.6 Ų128.653%0.52666%0.655SS.*Hα-helixtrans-65.4-29.3171.700000113.5T231T231-G235 PolarHBondContact O-N 3.26Å
236R47.4Very low42.2Very low174 Ų174134.7 Ų134.766%0.65768%0.678SS**Hα-helixtrans-82.2-39.4177.7-130.3175-175.2173.21112.6V232 W233 Q234 R239 N240V232-R236 PolarHBondContact O-N 3.25Å; W233-R236 PolarHBondContact O-N 2.87Å; Q234-R236 VanDerWaalsContact C-N 3.27Å; Q234-R236 PolarHBondContact O-N 3.45Å; R236-R239 PolarHBondContact O-N 2.92Å; R236-N240 PolarHBondContact O-N 3.04Å
237K39.3Very low41.7Very low142 Ų142135.4 Ų135.462%0.61768%0.684SS**Hα-helixtrans-67.9-40.7179.2-159.1175.8-177.9-177.90111.6W233 R239 N240W233-K237 WeakPolarHBondContact O-CB 3.41Å; W233-K237 PolarHBondContact O-N 3.25Å; K237-R239 PolarHBondContact O-N 3.31Å; K237-N240 PolarHBondContact O-N 3Å; K237-N240 VanDerWaalsContact O-N 3.11Å
238K45.5Very low40.8Very low185 Ų185141.1 Ų141.180%0.80470%0.697SS**Hα-helixtrans-66.5-18.3175.4-154.2175.5-171.9177.40113.8Q234Q234-K238 WeakPolarHBondContact O-CB 3.43Å; Q234-K238 PolarHBondContact O-N 3.12Å; Q234-K238 VanDerWaalsContact O-N 3.14Å
239R45.4Very low39.9Very low218 Ų218144.3 Ų144.382%0.82370%0.703SS**Hα-helixtrans-85-19.3175.8-148.5-179.9-157.6176.86113.1R236 K237R236-R239 PolarHBondContact O-N 2.92Å; K237-R239 PolarHBondContact O-N 3.31Å
240N41.6Very low38.9Very low139 Ų139144.7 Ų144.774%0.74372%0.715SS**Hα-helixtrans-104.6-1.1-173.5-76.510000113.9R236 K237R236-N240 PolarHBondContact O-N 3.04Å; K237-N240 PolarHBondContact O-N 3Å; K237-N240 VanDerWaalsContact O-N 3.11Å
241E43.2Very low38Very low148 Ų148147.9 Ų147.969%0.69273%0.73SS**SBendtrans-112.325.5-172.3-121.8168.5-158.500113.9
242M35.1Very low37.2Very low166 Ų166150.3 Ų150.382%0.81874%0.739SS**SBendtrans-121.8110.6170.6-155.469.3174.200111.1
243T32.4Very low36.6Very low124 Ų124154.4 Ų154.476%0.76175%0.749SS**  trans85117.3159.7-140000120.2
244P35.7Very low36.2Very low114 Ų114154.7 Ų154.774%0.7476%0.755SS**  trans-90.9138.7155.632.2-22.7000112.4
245D28.7Very low35.5Very low148 Ų148154.8 Ų154.879%0.79176%0.759SS**  trans53.7121.8158.3-72.7-38000123
246F30Very low34.8Very low205 Ų205161.5 Ų161.590%0.89977%0.774SS**  -166.8145.698-106.3-81.1000112.3
247S31.1Very low33.9Very low94 Ų94160.8 Ų160.866%0.65778%0.782SS**  trans-57.4149.2-170.957.20000119.6
248R30Very low33.7Very low230 Ų230163 Ų16387%0.86880%0.795SS**  176.9130.3107.8-114.2175.1160.1178.7-5.3114.2
249Q29.4Very low32.9Very low174 Ų174160.7 Ų160.781%0.81379%0.791SS**  trans-2.2134.5158.9-74165.6-30.600120.6
250S26.9Very low32.4Very low121 Ų121161.1 Ų161.185%0.84679%0.793SS**  -165.2136.2106.548.90000111.3
251H29.2Very low32Very low178 Ų178159.9 Ų159.982%0.82479%0.79SS**  trans-74.5139.7168.4-82.6-98.6000109.4
252D32.1Very low31.7Very low151 Ų151163.5 Ų163.581%0.80780%0.798SS**  -159.6164.1120.9-115-39.3000114.9
253K34.5Very low31.7Very low182 Ų182163.8 Ų163.879%0.79180%0.802SS**  trans-84.6143.5-150.6-82.4158.7178.9166.90116.6
254K31Very low31.9Very low173 Ų173169 Ų16975%0.75281%0.808SS**  91.6123.2118.7-169.7176-169.1-179.90121.7
255N29.9Very low31.9Very low133 Ų133173.3 Ų173.371%0.71182%0.815SS**  trans68.4145.2149.7-68.3-4.8000117.4
256K31.6Very low31.9Very low193 Ų193171.4 Ų171.484%0.83982%0.82SS**  cis-163.3147.424.6-154176179.1-177.90109.3
257L30.3Very low32.1Very low158 Ų158170.3 Ų170.383%0.82782%0.817SS**  trans-52.2132.8166.6-174.478.2000112.4
258Q33.3Very low32.4Very low189 Ų189171.2 Ų171.288%0.88382%0.823SS**  trans-162.6120.6136.8-109.7175.22300112.9
259D29.3Very low32.5Very low137 Ų137167.8 Ų167.873%0.73382%0.819SS**  trans-65.2131.9165.9-179.313000110.8
260R34.5Very low32.6Very low227 Ų227168.2 Ų168.286%0.85782%0.823SS**  trans-169.2107.9142.5-110.2172.8163.3178.8-3.5113.2
261T33.1Very low32.8Very low112 Ų112167.1 Ų167.169%0.68782%0.816SS**  trans-22.2131.6146.145.70000115.4
262R36.7Very low32.9Very low224 Ų224167.3 Ų167.385%0.84582%0.822SS**  trans-173.1114.4135.2-99.2155.8-163-128.12.6112.6
263L36.7Very low32.7Very low173 Ų173165.6 Ų165.691%0.90682%0.822SS**  trans-48.8126.6158.9-74.1145.5000111.6
264R37Very low32.6Very low233 Ų233162.1 Ų162.188%0.87982%0.821SS**  trans-151.9120.6145.5-70.4-160.5174.1167.8-2.8112.2
265K34.7Very low32.6Very low205 Ų205159.3 Ų159.389%0.89182%0.823SS**  trans25.2106.6148.7-74.5175.3172176.50117.4Q267K265-Q267 PolarHBondContact O-N 3.26Å
266A29.8Very low32.7Very low108 Ų108158.3 Ų158.389%0.89383%0.826SS**  trans-79.8114.2158.600000109.4
267Q33.2Very low32.8Very low181 Ų181155.4 Ų155.485%0.84683%0.827SS**  trans-70.5134.5164.9-79.6170.8-43.700109.5K265 M269K265-Q267 PolarHBondContact O-N 3.26Å; Q267-M269 PolarHBondContact O-N 3.48Å
268S36.9Very low32.8Very low113 Ų113155.9 Ų155.979%0.7983%0.829SS**  trans-59.8120.4166178.80000110.3
269M32.4Very low32.8Very low158 Ų158156.7 Ų156.778%0.77883%0.83SS**  trans-143.689.9164.6-77.8-75.1-76.100107.6Q267 S271Q267-M269 PolarHBondContact O-N 3.48Å; M269-S271 PolarHBondContact O-N 3.19Å
270M30.8Very low33Very low183 Ų183156.3 Ų156.390%0.90183%0.832SS**  trans-80.3104.7164.1-73.8-72.317600107.6
271S31.9Very low32.8Very low99 Ų99150.8 Ų150.869%0.69283%0.826SS**  trans-99.1112.9165.3-520000107.2M269 S273M269-S271 PolarHBondContact O-N 3.19Å; S271-S273 PolarHBondContact O-N 3.17Å
272L31.5Very low33.1Very low182 Ų182150.5 Ų150.595%0.95383%0.834SS**  trans-72.8106.6171.4-69.6166.7000108
273S28.1Very low33.1Very low115 Ų115148 Ų14880%0.80483%0.832SS**  trans-110.8116160.369.90000109.5S271S271-S273 PolarHBondContact O-N 3.17Å
274S31.7Very low33.1Very low109 Ų109147 Ų14776%0.76283%0.827SS**  trans-66.2158.617049.20000111.6
275S32Very low32.8Very low114 Ų114140.6 Ų140.680%0.79782%0.824SS**  trans89.294.6168.376.90000117.9
276S32.2Very low33Very low112 Ų112142.1 Ų142.178%0.78382%0.824SS**  trans-169.3133.9139.1-74.60000109.2L278S276-L278 PolarHBondContact O-N 3.02Å
277P33.1Very low33.3Very low131 Ų131142.3 Ų142.385%0.85182%0.816SS**  trans-75.1126.2-17429.2-32000111.4K279P277-K279 PolarHBondContact O-N 3.15Å
278L29.9Very low33.5Very low169 Ų169138.9 Ų138.989%0.88581%0.809SS**  trans-69.4119.6173.2-78.5161000109.9S276 V280S276-L278 PolarHBondContact O-N 3.02Å; L278-V280 PolarHBondContact O-N 3.23Å
279K33.5Very low33.5Very low206 Ų206139.6 Ų139.690%0.89681%0.811SS**  trans-72.4109.1171.1-141.1163.5-173.5173.80108.1P277P277-K279 PolarHBondContact O-N 3.15Å
280V32.9Very low33.5Very low129 Ų129140.3 Ų140.378%0.78281%0.813SS**  trans-66.7127.3176.2179.30000109.2L278 A282L278-V280 PolarHBondContact O-N 3.23Å; V280-A282 PolarHBondContact O-N 3.27Å
281P30.9Very low33.7Very low111 Ų111137.4 Ų137.472%0.72181%0.811SS**  trans-70.3124.7168-13.128.2000109.5H283P281-H283 PolarHBondContact O-N 3.13Å
282A39.3Very low33.7Very low105 Ų105137.9 Ų137.987%0.86881%0.809SS**  trans-61.6106.1177.200000110.6V280V280-A282 PolarHBondContact O-N 3.27Å
283H36.1Very low34.1Very low171 Ų171132.6 Ų132.679%0.79280%0.799SS**  trans-112.5109.7164.7-120.9-87.4000107.4P281 A285P281-H283 PolarHBondContact O-N 3.13Å; H283-A285 PolarHBondContact O-N 2.88Å
284L37.3Very low34.3Very low154 Ų154134.4 Ų134.481%0.80680%0.799SS**  trans26.284.8159.7-64.5164.5000115.2W286L284-W286 PolarHBondContact O-N 2.94Å
285A30Very low34.5Very low98 Ų98134.2 Ų134.281%0.8180%0.795SS**PPolyproline II helixtrans-59.9131.6163.300000109.5H283H283-A285 PolarHBondContact O-N 2.88Å
286W39.2Very low34.7Very low237 Ų237133.8 Ų133.890%0.89880%0.798SS**PPolyproline II helixtrans-66.1136.4167.8-69.773.2000108.7L284L284-W286 PolarHBondContact O-N 2.94Å
287P35.5Very low35.3Very low111 Ų111132.9 Ų132.972%0.72179%0.788SS**PPolyproline II helixtrans-64.4141.716927-30.2000108.7
288P38.9Very low36Very low109 Ų109130.5 Ų130.571%0.70878%0.779SS**PPolyproline II helixtrans-62.6147.9171.528.3-31.5000108.7E290P288-E290 PolarHBondContact O-N 3.22Å
289P36.8Very low37Very low128 Ų128126.8 Ų126.883%0.83176%0.763SS**  trans-62.9115.9175.725.2-30.3000108.8S291P289-S291 PolarHBondContact O-N 3.08Å
290E30.9Very low37.7Very low174 Ų174121.2 Ų121.281%0.81375%0.747SS**  trans-58.6121.5165.4-76.1-178.5152.700108.3P288 V292P288-E290 PolarHBondContact O-N 3.22Å; E290-V292 PolarHBondContact O-N 3.09Å
291S36Very low38.4Very low122 Ų122118.2 Ų118.285%0.85374%0.735SS**  trans-69.583.5168.956.60000108.9P289 G293P289-S291 PolarHBondContact O-N 3.08Å; S291-G293 VanDerWaalsContact C-N 3.35Å; S291-G293 PolarHBondContact O-N 2.98Å; S291-G293 VanDerWaalsContact O-N 3.11Å
292V31.8Very low39.5Very low109 Ų109119.9 Ų119.966%0.66173%0.734SS**  trans-75.295.1164.1-179.70000106.8E290 L294E290-V292 PolarHBondContact O-N 3.09Å; V292-L294 HydrophobicContact CG1-CD1 4.36Å; V292-L294 HydrophobicContact CG1-CG 4.33Å; V292-L294 PolarHBondContact O-N 3.2Å
293G39.1Very low40.3Very low71 Ų71120 Ų12073%0.73272%0.719SS**  trans-63.3127.5165.500000109.6S291S291-G293 VanDerWaalsContact C-N 3.35Å; S291-G293 PolarHBondContact O-N 2.98Å; S291-G293 VanDerWaalsContact O-N 3.11Å
294L32.8Very low40.9Very low153 Ų153117.5 Ų117.580%0.80171%0.711SS**  trans-134.9149.4164.3-85.6171000109.4V292V292-L294 HydrophobicContact CG1-CD1 4.36Å; V292-L294 HydrophobicContact CG1-CG 4.33Å; V292-L294 PolarHBondContact O-N 3.2Å
295P35.7Very low41.7Very low105 Ų105116.7 Ų116.768%0.68270%0.704SS**  trans-83.5142.1-144.331.5-34.4000112.9T297P295-T297 PolarHBondContact O-N 3.38Å; P295-T297 VanDerWaalsContact O-N 3.14Å
296A36.8Very low42.9Very low105 Ų105118.7 Ų118.787%0.86870%0.697SS**  trans-61.5111.1167.900000109.6
297T44.9Very low43.3Very low92 Ų92113.4 Ų113.456%0.56468%0.682SS**  trans-81120.7164.4480000108.1P295 T299 T300P295-T297 PolarHBondContact O-N 3.38Å; P295-T297 VanDerWaalsContact O-N 3.14Å; T297-T299 PolarHBondContact O-N 3.04Å; T297-T300 PolarHBondContact O-N 3.19Å; T297-T300 PolarHBondContact O-OG1 2.87Å
298A47.7Very low43.8Very low81 Ų81114.4 Ų114.467%0.66968%0.681SS**THydrogen-bonded Turntrans-53.9-15-176.700000114.5T300A298-T300 PolarHBondContact O-N 3.27Å
299T49.9Very low44.5Very low91 Ų91117.3 Ų117.356%0.55868%0.684SS**Hα-helixtrans-71.7-25.1-177.8-31.50000113.6T297 I303T297-T299 PolarHBondContact O-N 3.04Å; T299-I303 WeakPolarHBondContact O-CD1 3.38Å; T299-I303 WeakPolarHBondContact O-CG1 3.36Å
300T48.4Very low45.1Very low90 Ų90120.6 Ų120.655%0.55268%0.68SS**Hα-helixtrans-80.2-26.6180-14.80000112.8T297 A298 L304T297-T300 PolarHBondContact O-N 3.19Å; T297-T300 PolarHBondContact O-OG1 2.87Å; A298-T300 PolarHBondContact O-N 3.27Å; T300-L304 PolarHBondContact O-N 3.36Å
301A49Very low46.1Very low65 Ų65119.4 Ų119.454%0.53767%0.674SS.*Hα-helixtrans-73.7-34.9177.400000112.1L304 M305A301-L304 PolarHBondContact O-N 3.14Å; A301-M305 PolarHBondContact O-N 3.24Å; A301-M305 VanDerWaalsContact O-N 3.16Å
302E53.6Low46.4Very low147 Ų147119.7 Ų119.769%0.68767%0.673SS**Hα-helixtrans-68.1-38.1176.1-73.2-170.915700112.4L304 M305 Q306E302-L304 VanDerWaalsContact C-N 3.31Å; E302-L304 PolarHBondContact O-N 3.31Å; E302-M305 PolarHBondContact O-N 3.35Å; E302-Q306 WeakPolarHBondContact O-CB 3.13Å; E302-Q306 PolarHBondContact O-N 3.27Å
303I54.9Low46.9Very low107 Ų107117.8 Ų117.855%0.54968%0.676SS.*Hα-helixtrans-66.2-35.7178.7-64.9169.2000111.1T299 H307T299-I303 WeakPolarHBondContact O-CD1 3.38Å; T299-I303 WeakPolarHBondContact O-CG1 3.36Å; I303-H307 PolarHBondContact O-N 3.42Å
304L50.5Low47Very low119 Ų119120.6 Ų120.662%0.62368%0.681SS**Hα-helixtrans-70.9-38.3176-103.9164.1000112.6T300 A301 E302 H307 L308T300-L304 PolarHBondContact O-N 3.36Å; A301-L304 PolarHBondContact O-N 3.14Å; E302-L304 VanDerWaalsContact C-N 3.31Å; E302-L304 PolarHBondContact O-N 3.31Å; L304-H307 PolarHBondContact O-N 3.03Å; L304-L308 PolarHBondContact O-N 2.87Å
305M53.6Low47.5Very low137 Ų137122.7 Ų122.768%0.67569%0.687SS**Hα-helixtrans-66.4-39.7175.2-81.7-74.2172.100112.1A301 E302 H307 L308 Q309A301-M305 PolarHBondContact O-N 3.24Å; A301-M305 VanDerWaalsContact O-N 3.16Å; E302-M305 PolarHBondContact O-N 3.35Å; M305-H307 VanDerWaalsContact C-N 3.28Å; M305-H307 PolarHBondContact O-N 2.9Å; M305-L308 PolarHBondContact O-N 2.79Å; M305-Q309 PolarHBondContact O-N 2.72Å
306Q54.2Low47.9Very low140 Ų140126.2 Ų126.265%0.65473%0.725SS**Hα-helixtrans-69.4-26.6179-142.2174.143.400112.7E302E302-Q306 WeakPolarHBondContact O-CB 3.13Å; E302-Q306 PolarHBondContact O-N 3.27Å
307H47.7Very low48.5Very low126 Ų126127.3 Ų127.358%0.58372%0.718SS**Hα-helixtrans-80.7-26.9178.2-151.1-67.4000113.3I303 L304 M305I303-H307 PolarHBondContact O-N 3.42Å; L304-H307 PolarHBondContact O-N 3.03Å; M305-H307 VanDerWaalsContact C-N 3.28Å; M305-H307 PolarHBondContact O-N 2.9Å
308L47.5Very low48.7Very low132 Ų132129.2 Ų129.269%0.69173%0.726SS**Hα-helixtrans-76.4-22.4175-86.1159.8000113.1L304 M305 R310L304-L308 PolarHBondContact O-N 2.87Å; M305-L308 PolarHBondContact O-N 2.79Å; L308-R310 VanDerWaalsContact C-N 3.31Å; L308-R310 PolarHBondContact O-N 3.48Å
309Q51.9Low48.7Very low169 Ų169131.8 Ų131.879%0.7973%0.729SS**THydrogen-bonded Turntrans-80.9-7.7179.2-130.3165.3-11.500113.9M305M305-Q309 PolarHBondContact O-N 2.72Å
310R49.7Very low48.7Very low197 Ų197134.2 Ų134.274%0.74374%0.739SS**THydrogen-bonded Turntrans-1014.1-172.1-150.4179.2-101.1169.1-4.9114.9L308L308-R310 VanDerWaalsContact C-N 3.31Å; L308-R310 PolarHBondContact O-N 3.48Å
311H52.1Low48.7Very low149 Ų149137 Ų13769%0.6975%0.751SS**  trans-133.588.7175.8-71-69.6000112.3
312P42.3Very low48.7Very low128 Ų128141.8 Ų141.883%0.83177%0.765SS**  trans-80.3126.1158.832.2-26.3000108.3
313G43.2Very low48.3Very low69 Ų69141.4 Ų141.471%0.71177%0.771SS**  trans-149.8162.1158.300000109
314P41.4Very low47.8Very low130 Ų130144.1 Ų144.184%0.84479%0.788SS**  cis-109.1164.6-25.532.4-16.7000110.9
315Q42.3Very low47.6Very low197 Ų197146.2 Ų146.292%0.92180%0.802SS**  trans-101.9128.1162.2-81.8-171.8-3.300109.5
316A45Very low47Very low180 Ų180147 Ų147100%1.48881%0.813SS**  trans510164.400000118.3

Retrieved 316 of 316 residues in 85.4 ms (Link to these results)