A0A077ZBH3_TRITR Loading...

U3 small nucleolar RNA associated protein 14

AlphaFold DB , UniProt , Accession A0A077ZBH3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 519 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
1M41.4Very low50.4Low250 Ų250191.4 Ų191.4100%1.23290%0.902SS**  060.20-82.4-103.8-104.200110.3
2E43.1Very low50.8Low185 Ų185195.8 Ų195.886%0.86490%0.904SS**  trans-134.9108.1167.7-92.1-175.2151.500107.7R4E2-R4 PolarHBondContact O-N 3.14Å
3K44.7Very low51Low216 Ų216186 Ų18694%0.93989%0.888SS**  trans-82.590.9178.4-71.2178.91791750109.1A5K3-A5 PolarHBondContact O-N 3.03Å; K3-A5 VanDerWaalsContact O-N 3.13Å
4R48.8Very low51.1Low237 Ų237182.9 Ų182.989%0.89488%0.879SS**  trans-71.599.8165.8-86.3-178158.5-172.4-5.6110E2 K6E2-R4 PolarHBondContact O-N 3.14Å; R4-K6 PolarHBondContact O-N 2.98Å
5A50Low51.5Low93 Ų93178.3 Ų178.377%0.76988%0.884SS**  trans-67.4119.516900000109.9K3 L7K3-A5 PolarHBondContact O-N 3.03Å; K3-A5 VanDerWaalsContact O-N 3.13Å; A5-L7 PolarHBondContact O-N 3.48Å
6K56.3Low52Low204 Ų204172.8 Ų172.889%0.88788%0.875SS**  trans-74.2111.9173.8-69.2178.4179.1176.10109R4 K8R4-K6 PolarHBondContact O-N 2.98Å; K6-K8 PolarHBondContact O-N 2.95Å
7L52.6Low52.4Low169 Ų169170.2 Ų170.289%0.88587%0.869SS**  trans-54.2120.5163.9-105.978.2000109.1A5 K9A5-L7 PolarHBondContact O-N 3.48Å; L7-K9 PolarHBondContact O-N 2.86Å
8K53.1Low52.6Low199 Ų199164.6 Ų164.687%0.86586%0.861SS**  trans-70.2118166-70.8179.7178.91780107.2K6 E10K6-K8 PolarHBondContact O-N 2.95Å; K8-E10 PolarHBondContact O-N 2.99Å
9K56.8Low52.7Low199 Ų199165 Ų16587%0.86586%0.862SS**  trans-63.3114.1167.8-82.4179.2173.9-179.20108.1L7 I11L7-K9 PolarHBondContact O-N 2.86Å; K9-I11 PolarHBondContact O-N 3.27Å
10E53.2Low53.2Low193 Ų193159.5 Ų159.590%0.90284%0.838SS**  trans-63.9121.6165.4-68.7-170.9156.300108.7K8 R12K8-E10 PolarHBondContact O-N 2.99Å; E10-R12 PolarHBondContact O-N 3.04Å
11I55Low53.9Low160 Ų160160.4 Ų160.482%0.82184%0.838SS**  trans-80.6114.4171.6-62.7166.9000105.9K9 G13K9-I11 PolarHBondContact O-N 3.27Å; I11-G13 PolarHBondContact O-N 3.18Å
12R54.7Low55.3Low245 Ų245156 Ų15693%0.92581%0.812SS**  trans-58.5106.7166.9-96.8178.8168.8144.3-3.5108.5E10E10-R12 PolarHBondContact O-N 3.04Å
13G53Low55.9Low68 Ų68158.4 Ų158.470%0.70181%0.813SS**  trans-79.5127.3172.500000110.6I11 A15I11-G13 PolarHBondContact O-N 3.18Å; G13-A15 PolarHBondContact O-N 2.91Å
14N52.9Low56.8Low143 Ų143154 Ų15477%0.76580%0.8SS**  trans-61.7129.9170-75.5-33.4000110.2A16N14-A16 PolarHBondContact O-N 3Å
15A57.3Low57.2Low114 Ų114148.8 Ų148.894%0.94280%0.797SS**THydrogen-bonded Turntrans-71.510.1-175.200000115.5G13G13-A15 PolarHBondContact O-N 2.91Å
16A60.1Low57.6Low90 Ų90155.2 Ų155.274%0.74480%0.802SS**THydrogen-bonded Turntrans-93.2-0.7-175.300000114.7N14 G18N14-A16 PolarHBondContact O-N 3Å; A16-G18 PolarHBondContact O-N 2.89Å; A16-G18 VanDerWaalsContact O-N 3.16Å
17V57.5Low58Low128 Ų128148.7 Ų148.778%0.77678%0.782SS**THydrogen-bonded Turntrans-93.468.7-173.8-169.40000110.4
18G56.4Low58.6Low70 Ų70146.2 Ų146.272%0.72278%0.779SS**THydrogen-bonded Turntrans-142.5-7.1-173.900000117.2A16A16-G18 PolarHBondContact O-N 2.89Å; A16-G18 VanDerWaalsContact O-N 3.16Å
19I54.3Low59.3Low172 Ų172145.8 Ų145.888%0.88278%0.777SS**  trans-11492.3-173.8-51.4165.1000108.4
20S63.7Low59.6Low54 Ų54139.9 Ų139.938%0.37877%0.765SS.*  trans-101.1127.7164.5170.20000108F22 R23S20-F22 PolarHBondContact O-N 3.27Å; S20-F22 PolarHBondContact OG-N 3.04Å; S20-R23 PolarHBondContact O-N 3.16Å
21E67.3Low60.4Low180 Ų180139.2 Ų139.284%0.84176%0.762SS**THydrogen-bonded Turntrans-49.3-24.9177-40.3175.9-14500112.8
22F70Confident61Low156 Ų156135.1 Ų135.168%0.68475%0.752SS**THydrogen-bonded Turntrans-98.612.1-175-62.1-76000114.4S20 L24S20-F22 PolarHBondContact O-N 3.27Å; S20-F22 PolarHBondContact OG-N 3.04Å; F22-L24 HydrophobicContact CB-CD1 3.77Å; F22-L24 HydrophobicContact CB-CG 4.35Å; F22-L24 PolarHBondContact O-N 3.34Å
23R56.7Low62.1Low237 Ų237130 Ų13089%0.89474%0.736SS**  trans49.925.9-176.4-60.5-170.1-171.8-178.53.7114.5S20 C25S20-R23 PolarHBondContact O-N 3.16Å; R23-C25 PolarHBondContact O-N 3.42Å; R23-C25 VanDerWaalsContact O-N 3.14Å
24L64.2Low63.4Low124 Ų124132 Ų13265%0.64973%0.73SS**  trans-8292.6176.9-80.2153.1000109.1F22 R26F22-L24 HydrophobicContact CB-CD1 3.77Å; F22-L24 HydrophobicContact CB-CG 4.35Å; F22-L24 PolarHBondContact O-N 3.34Å; L24-R26 PolarHBondContact O-N 2.96Å
25C55.8Low64.8Low126 Ų126128 Ų12885%0.85171%0.707SS**  trans-62107168.9-69.10000109.4R23 S27R23-C25 PolarHBondContact O-N 3.42Å; R23-C25 VanDerWaalsContact O-N 3.14Å; C25-S27 VanDerWaalsContact C-N 3.31Å; C25-S27 PolarHBondContact O-N 3.44Å
26R59.7Low66.1Low229 Ų229126.1 Ų126.186%0.86468%0.681SS**  trans-69.586.7173.1-69.5-176.1177.1178.70.1109.5L24L24-R26 PolarHBondContact O-N 2.96Å
27S64.4Low67.2Low67 Ų67126.1 Ų126.147%0.46967%0.668SS.*  trans-62.2132.7165.4165.80000109.2C25 K29 A30C25-S27 VanDerWaalsContact C-N 3.31Å; C25-S27 PolarHBondContact O-N 3.44Å; S27-K29 PolarHBondContact O-N 3.45Å; S27-K29 PolarHBondContact OG-N 3.01Å; S27-A30 WeakPolarHBondContact O-CB 3.27Å; S27-A30 PolarHBondContact O-N 2.88Å
28S65.6Low68.4Low116 Ų116121.1 Ų121.181%0.81164%0.638SS**THydrogen-bonded Turntrans-58.9-16.1176.262.20000113.4
29K67.8Low69.6Low191 Ų191124.1 Ų124.183%0.8363%0.631SS**THydrogen-bonded Turntrans-90.1-8.5176.1-60.9-178.6-178.8176.60113.6S27 Q31S27-K29 PolarHBondContact O-N 3.45Å; S27-K29 PolarHBondContact OG-N 3.01Å; K29-Q31 VanDerWaalsContact C-N 3.33Å; K29-Q31 PolarHBondContact O-N 3.45Å
30A63.2Low71Confident75 Ų75120 Ų12062%0.6262%0.618SS**  trans-90.954.7-176.100000112.7S27 A32S27-A30 WeakPolarHBondContact O-CB 3.27Å; S27-A30 PolarHBondContact O-N 2.88Å; A30-A32 PolarHBondContact O-N 3.49Å
31Q68.7Low71.9Confident179 Ų179119.1 Ų119.184%0.83661%0.614SS**  trans-86.1103.4169.3-67.6-167.6-44.100109.5K29 K33K29-Q31 VanDerWaalsContact C-N 3.33Å; K29-Q31 PolarHBondContact O-N 3.45Å; Q31-K33 PolarHBondContact O-N 2.97Å
32A68.8Low72.3Confident73 Ų73119.1 Ų119.160%0.60361%0.611SS**  trans-69.2118170.900000109.4A30 L37A30-A32 PolarHBondContact O-N 3.49Å; A32-L37 HydrophobicContact CB-CD1 4.1Å; A32-L37 HydrophobicContact CB-CG 4.24Å
33K77.2Confident72.6Confident138 Ų138123.6 Ų123.660%0.662%0.623SS**  trans-67.3138.3172.3-64.3176.8-179.3174.60108.3Q31 E35 D36 L37Q31-K33 PolarHBondContact O-N 2.97Å; K33-E35 PolarHBondContact O-N 3.34Å; K33-D36 PolarHBondContact O-N 3.09Å; K33-L37 PolarHBondContact O-N 3.19Å
34L80.8Confident73.6Confident110 Ų110114.4 Ų114.458%0.57660%0.598SS**Hα-helixtrans-53.2-32.6176.6-176.963.3000111.7D36 L37 V38 L54L34-D36 VanDerWaalsContact C-N 3.32Å; L34-D36 PolarHBondContact O-N 2.92Å; L34-L37 PolarHBondContact O-N 3.34Å; L34-V38 HydrophobicContact CG-CG2 4.5Å; L34-V38 VanDerWaalsContact O-CG2 3.31Å; L34-V38 WeakPolarHBondContact O-CG2 3.44Å; L34-V38 PolarHBondContact O-N 3.32Å; L34-L54 HydrophobicContact CB-CD1 4.29Å; L34-L54 HydrophobicContact CD2-CD1 3.68Å; L34-L54 HydrophobicContact CG-CD1 3.81Å
35E81.5Confident74.4Confident59 Ų59118.9 Ų118.928%0.27661%0.612SS.*Hα-helixtrans-62.7-38.4176.7-42.8-173.7157.100112.6K33 K39 L54 R58K33-E35 PolarHBondContact O-N 3.34Å; E35-K39 WeakPolarHBondContact O-CB 3.44Å; E35-K39 WeakPolarHBondContact O-CG 3Å; E35-K39 PolarHBondContact O-N 3.46Å; E35-L54 HydrophobicContact CB-CD2 4.37Å; E35-L54 HydrophobicContact CG-CD1 4.38Å; E35-L54 HydrophobicContact CG-CD2 4.26Å; E35-R58 IonicContact OE1-CZ 3.85Å; E35-R58 IonicContact OE1-NE 2.66Å; E35-R58 PolarHBondContact OE1-NE 3.04Å; E35-R58 IonicContact OE1-NH2 2.72Å; E35-R58 PolarHBondContact OE1-NH2 2.78Å; E35-R58 IonicContact OE2-CZ 2.79Å; E35-R58 IonicContact OE2-NH2 2.75Å; E35-R58 PolarHBondContact OE2-NH2 3.41Å
36D83.9Confident75.6Confident75 Ų75120.4 Ų120.440%0.40160%0.604SS.*Hα-helixtrans-77.2-31.3-179-61.3-28.1000110.7K33 L34 K39 S40K33-D36 PolarHBondContact O-N 3.09Å; L34-D36 VanDerWaalsContact C-N 3.32Å; L34-D36 PolarHBondContact O-N 2.92Å; D36-K39 PolarHBondContact O-N 3.47Å; D36-K39 IonicContact OD1-NZ 3.42Å; D36-K39 PolarHBondContact OD1-NZ 2.75Å; D36-S40 WeakPolarHBondContact O-CB 3.16Å; D36-S40 PolarHBondContact O-N 2.72Å; D36-S40 PolarHBondContact O-OG 2.83Å
37L83.2Confident76.7Confident90 Ų90112 Ų11247%0.47158%0.576SS.*Hα-helixtrans-66.4-44.2169.8-72.9157.7000112A32 K33 L34 K39 S40 A41A32-L37 HydrophobicContact CB-CD1 4.1Å; A32-L37 HydrophobicContact CB-CG 4.24Å; K33-L37 PolarHBondContact O-N 3.19Å; L34-L37 PolarHBondContact O-N 3.34Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 3.02Å; L37-S40 PolarHBondContact O-N 3.29Å; L37-S40 PolarHBondContact O-OG 3.32Å; L37-A41 WeakPolarHBondContact O-CB 3.19Å; L37-A41 PolarHBondContact O-N 3.06Å; L37-A41 VanDerWaalsContact O-N 3.09Å
38V83.8Confident77.6Confident23 Ų23110.9 Ų110.914%0.13958%0.575CS.*Hα-helixtrans-66.7-33.5176.8174.60000111L34 L50L34-V38 HydrophobicContact CG-CG2 4.5Å; L34-V38 VanDerWaalsContact O-CG2 3.31Å; L34-V38 WeakPolarHBondContact O-CG2 3.44Å; L34-V38 PolarHBondContact O-N 3.32Å; V38-L50 HydrophobicContact CG1-CB 4.44Å
39K81.5Confident78.7Confident132 Ų132107.9 Ų107.957%0.57456%0.558SS**Hα-helixtrans-70.7-36.7174.1-74.3169-168.2166.50113.4E35 D36 L37E35-K39 WeakPolarHBondContact O-CB 3.44Å; E35-K39 WeakPolarHBondContact O-CG 3Å; E35-K39 PolarHBondContact O-N 3.46Å; D36-K39 PolarHBondContact O-N 3.47Å; D36-K39 IonicContact OD1-NZ 3.42Å; D36-K39 PolarHBondContact OD1-NZ 2.75Å; L37-K39 VanDerWaalsContact C-N 3.29Å; L37-K39 PolarHBondContact O-N 3.02Å
40S83.5Confident79.5Confident86 Ų86102.1 Ų102.160%0.60154%0.536SS*.Hα-helixtrans-76.8-24.5-179.966.30000112.6D36 L37 K42D36-S40 WeakPolarHBondContact O-CB 3.16Å; D36-S40 PolarHBondContact O-N 2.72Å; D36-S40 PolarHBondContact O-OG 2.83Å; L37-S40 PolarHBondContact O-N 3.29Å; L37-S40 PolarHBondContact O-OG 3.32Å; S40-K42 PolarHBondContact O-N 2.79Å
41A81.7Confident80.6Confident36 Ų36105.2 Ų105.230%0.29854%0.535SS..  trans-73.739.5-179.700000115L37 R43 A44 I47L37-A41 WeakPolarHBondContact O-CB 3.19Å; L37-A41 PolarHBondContact O-N 3.06Å; L37-A41 VanDerWaalsContact O-N 3.09Å; A41-R43 PolarHBondContact O-N 3.03Å; A41-A44 HydrophobicContact CB-CB 4.34Å; A41-A44 PolarHBondContact O-N 3.03Å; A41-I47 WeakPolarHBondContact O-CD1 3.35Å; A41-I47 WeakPolarHBondContact O-CG1 3.17Å
42K75.8Confident81.5Confident180 Ų180101.5 Ų101.578%0.78352%0.521SS*.THydrogen-bonded Turntrans-57.4-18.7-175.3-66.9-173.9-178.6178.50115.6S40 I47S40-K42 PolarHBondContact O-N 2.79Å; K42-I47 VanDerWaalsContact C-CD1 3.41Å; K42-I47 VanDerWaalsContact O-CD1 3.27Å; K42-I47 WeakPolarHBondContact O-CD1 3.45Å
43R76.5Confident82.4Confident250 Ų250104.2 Ų104.294%0.94352%0.521SS*.THydrogen-bonded Turntrans-96.1-3.7179.3-72.8-178.2172.8171.7-2.3114.5A41 K45A41-R43 PolarHBondContact O-N 3.03Å; R43-K45 PolarHBondContact O-N 2.89Å
44A78.7Confident82.8Confident43 Ų4398.8 Ų98.836%0.35550%0.499SS..  trans-75.1127.9-178.800000111.3A41 K46 I47A41-A44 HydrophobicContact CB-CB 4.34Å; A41-A44 PolarHBondContact O-N 3.03Å; A44-K46 PolarHBondContact O-N 3.36Å; A44-I47 HydrophobicContact CB-CD1 4.43Å; A44-I47 HydrophobicContact CB-CG1 3.94Å; A44-I47 WeakPolarHBondContact O-CD1 3.31Å; A44-I47 WeakPolarHBondContact O-CG1 3.18Å; A44-I47 PolarHBondContact O-N 3.47Å
45K79.6Confident83Confident218 Ų21895.7 Ų95.795%0.94849%0.486SS*.THydrogen-bonded Turntrans-56.8-20-179.4-68.4-178.8178.2-179.50114.3R43R43-K45 PolarHBondContact O-N 2.89Å
46K82.1Confident83.3Confident159 Ų15995.3 Ų95.369%0.69149%0.488SS*.THydrogen-bonded Turntrans-116.326.4-173.5-62.6-174.1178.6-179.10114.4A44 G48 A49 L50A44-K46 PolarHBondContact O-N 3.36Å; K46-G48 VanDerWaalsContact C-N 3.27Å; K46-G48 PolarHBondContact O-N 3.33Å; K46-A49 PolarHBondContact O-N 3.07Å; K46-L50 WeakPolarHBondContact O-CG 3.31Å; K46-L50 PolarHBondContact O-N 3.39Å
47I83.6Confident83.3Confident51 Ų5193.7 Ų93.726%0.26249%0.485SS..Hα-helixtrans-56.8-39.4179.8-67.8151.6000112.4A41 K42 A44 L50 K51A41-I47 WeakPolarHBondContact O-CD1 3.35Å; A41-I47 WeakPolarHBondContact O-CG1 3.17Å; K42-I47 VanDerWaalsContact C-CD1 3.41Å; K42-I47 VanDerWaalsContact O-CD1 3.27Å; K42-I47 WeakPolarHBondContact O-CD1 3.45Å; A44-I47 HydrophobicContact CB-CD1 4.43Å; A44-I47 HydrophobicContact CB-CG1 3.94Å; A44-I47 WeakPolarHBondContact O-CD1 3.31Å; A44-I47 WeakPolarHBondContact O-CG1 3.18Å; A44-I47 PolarHBondContact O-N 3.47Å; I47-L50 PolarHBondContact O-N 3.09Å; I47-K51 VanDerWaalsContact O-CB 3.31Å; I47-K51 WeakPolarHBondContact O-CB 3.46Å; I47-K51 PolarHBondContact O-N 3.33Å
48G83.2Confident83.1Confident45 Ų4595.6 Ų95.646%0.46449%0.485SS..Hα-helixtrans-57.9-54.7178.100000112K46 L50 K51 D52K46-G48 VanDerWaalsContact C-N 3.27Å; K46-G48 PolarHBondContact O-N 3.33Å; G48-L50 VanDerWaalsContact C-N 3.31Å; G48-L50 PolarHBondContact O-N 2.86Å; G48-K51 WeakPolarHBondContact O-CB 3.41Å; G48-K51 PolarHBondContact O-N 3.46Å; G48-K51 VanDerWaalsContact O-N 3.09Å; G48-D52 PolarHBondContact O-N 3.41Å
49A87.1Confident83Confident53 Ų53102.9 Ų102.944%0.43852%0.515SS..Hα-helixtrans-60.4-3817700000112.8K46 D52 Q53K46-A49 PolarHBondContact O-N 3.07Å; A49-D52 PolarHBondContact O-N 3.42Å; A49-Q53 WeakPolarHBondContact O-CB 3.42Å; A49-Q53 VanDerWaalsContact O-CG 3.31Å; A49-Q53 WeakPolarHBondContact O-CG 3.47Å; A49-Q53 PolarHBondContact O-N 2.84Å
50L85.9Confident82.9Confident70 Ų70106 Ų10637%0.36652%0.523SS..Hα-helixtrans-66.7-38.3175.2-74.1170.7000112.1V38 K46 I47 G48 L54V38-L50 HydrophobicContact CG1-CB 4.44Å; K46-L50 WeakPolarHBondContact O-CG 3.31Å; K46-L50 PolarHBondContact O-N 3.39Å; I47-L50 PolarHBondContact O-N 3.09Å; G48-L50 VanDerWaalsContact C-N 3.31Å; G48-L50 PolarHBondContact O-N 2.86Å; L50-L54 VanDerWaalsContact O-CB 3.22Å; L50-L54 WeakPolarHBondContact O-CB 3.22Å; L50-L54 PolarHBondContact O-N 2.86Å
51K85.6Confident82.1Confident140 Ų140106.8 Ų106.861%0.60952%0.521SS*.Hα-helixtrans-66.9-38.8175.2-170.2-179.6178.9-1740110.9I47 G48 L54 S55I47-K51 VanDerWaalsContact O-CB 3.31Å; I47-K51 WeakPolarHBondContact O-CB 3.46Å; I47-K51 PolarHBondContact O-N 3.33Å; G48-K51 WeakPolarHBondContact O-CB 3.41Å; G48-K51 PolarHBondContact O-N 3.46Å; G48-K51 VanDerWaalsContact O-N 3.09Å; K51-L54 PolarHBondContact O-N 2.84Å; K51-S55 WeakPolarHBondContact O-CB 3.31Å; K51-S55 PolarHBondContact O-N 3.37Å
52D87.6Confident81.7Confident101 Ų101109 Ų10954%0.5454%0.54SS..Hα-helixtrans-68-45.9175.8-66.1-22.5000111.2G48 A49 L54 S55 V56G48-D52 PolarHBondContact O-N 3.41Å; A49-D52 PolarHBondContact O-N 3.42Å; D52-L54 VanDerWaalsContact C-N 3.31Å; D52-L54 PolarHBondContact O-N 3.34Å; D52-S55 CarbonylContact O-C 3.57Å; D52-S55 WeakPolarHBondContact O-CA 3.31Å; D52-S55 WeakPolarHBondContact O-CB 3.4Å; D52-S55 PolarHBondContact O-N 3.18Å; D52-S55 PolarHBondContact O-OG 2.96Å; D52-V56 WeakPolarHBondContact O-CG2 3.41Å; D52-V56 PolarHBondContact O-N 3.38Å
53Q87.6Confident81.8Confident130 Ų130108 Ų10861%0.60754%0.541SS*.Hα-helixtrans-59.6-41.5172.8-75.8179.9-8.100111.7A49 S55 V56 A57A49-Q53 WeakPolarHBondContact O-CB 3.42Å; A49-Q53 VanDerWaalsContact O-CG 3.31Å; A49-Q53 WeakPolarHBondContact O-CG 3.47Å; A49-Q53 PolarHBondContact O-N 2.84Å; Q53-S55 VanDerWaalsContact C-N 3.31Å; Q53-S55 PolarHBondContact O-N 2.82Å; Q53-V56 PolarHBondContact O-N 3.14Å; Q53-A57 WeakPolarHBondContact O-CB 3.5Å; Q53-A57 PolarHBondContact O-N 2.98Å
54L86.1Confident82.2Confident24 Ų24103.9 Ų103.913%0.12654%0.537CS..Hα-helixtrans-62.5-39.2173.8-172.981.5000111.1L34 E35 L50 K51 D52 R58L34-L54 HydrophobicContact CB-CD1 4.29Å; L34-L54 HydrophobicContact CD2-CD1 3.68Å; L34-L54 HydrophobicContact CG-CD1 3.81Å; E35-L54 HydrophobicContact CB-CD2 4.37Å; E35-L54 HydrophobicContact CG-CD1 4.38Å; E35-L54 HydrophobicContact CG-CD2 4.26Å; L50-L54 VanDerWaalsContact O-CB 3.22Å; L50-L54 WeakPolarHBondContact O-CB 3.22Å; L50-L54 PolarHBondContact O-N 2.86Å; K51-L54 PolarHBondContact O-N 2.84Å; D52-L54 VanDerWaalsContact C-N 3.31Å; D52-L54 PolarHBondContact O-N 3.34Å; L54-R58 VanDerWaalsContact O-CB 3.31Å; L54-R58 WeakPolarHBondContact O-CB 3.27Å; L54-R58 VanDerWaalsContact O-CG 3.27Å; L54-R58 WeakPolarHBondContact O-CG 3.33Å; L54-R58 PolarHBondContact O-N 3.25Å
55S84.8Confident82.6Confident45 Ų45106.8 Ų106.832%0.31556%0.555SS.*Hα-helixtrans-68.7-41.5177.683.60000112.2K51 D52 Q53 R58 K59K51-S55 WeakPolarHBondContact O-CB 3.31Å; K51-S55 PolarHBondContact O-N 3.37Å; D52-S55 CarbonylContact O-C 3.57Å; D52-S55 WeakPolarHBondContact O-CA 3.31Å; D52-S55 WeakPolarHBondContact O-CB 3.4Å; D52-S55 PolarHBondContact O-N 3.18Å; D52-S55 PolarHBondContact O-OG 2.96Å; Q53-S55 VanDerWaalsContact C-N 3.31Å; Q53-S55 PolarHBondContact O-N 2.82Å; S55-R58 WeakPolarHBondContact O-CB 3.41Å; S55-R58 PolarHBondContact O-N 3.39Å; S55-K59 WeakPolarHBondContact O-CG 3.16Å; S55-K59 PolarHBondContact O-N 2.69Å
56V86.8Confident83.1Confident51 Ų51101.2 Ų101.231%0.30954%0.543SS..Hα-helixtrans-69.4-41.1176.8172.10000110.2D52 Q53 K59 R60D52-V56 WeakPolarHBondContact O-CG2 3.41Å; D52-V56 PolarHBondContact O-N 3.38Å; Q53-V56 PolarHBondContact O-N 3.14Å; V56-K59 PolarHBondContact O-N 3.13Å; V56-R60 HydrophobicContact CG1-CG 4.27Å; V56-R60 WeakPolarHBondContact O-CB 3.35Å; V56-R60 WeakPolarHBondContact O-CG 3.49Å; V56-R60 PolarHBondContact O-N 3.21Å
57A83.7Confident83.6Confident41 Ų4199.6 Ų99.634%0.33955%0.549SS..Hα-helixtrans-58.6-52.3171.400000109.5Q53 K59 R60 N61Q53-A57 WeakPolarHBondContact O-CB 3.5Å; Q53-A57 PolarHBondContact O-N 2.98Å; A57-K59 PolarHBondContact O-N 3.24Å; A57-K59 VanDerWaalsContact O-N 3.14Å; A57-R60 CarbonylContact O-C 3.59Å; A57-R60 PolarHBondContact O-N 2.77Å; A57-N61 WeakPolarHBondContact O-CB 3.42Å; A57-N61 PolarHBondContact O-N 2.78Å; A57-N61 PolarHBondContact O-ND2 3.44Å; A57-N61 PolarHBondContact O-OD1 2.76Å
58R80.9Confident84.1Confident129 Ų129102.1 Ų102.149%0.48756%0.563SS.*Hα-helixtrans-51.3-39.1173.8-80174.7168-174.2-7.6113.5E35 L54 S55 N61E35-R58 IonicContact OE1-CZ 3.85Å; E35-R58 IonicContact OE1-NE 2.66Å; E35-R58 PolarHBondContact OE1-NE 3.04Å; E35-R58 IonicContact OE1-NH2 2.72Å; E35-R58 PolarHBondContact OE1-NH2 2.78Å; E35-R58 IonicContact OE2-CZ 2.79Å; E35-R58 IonicContact OE2-NH2 2.75Å; E35-R58 PolarHBondContact OE2-NH2 3.41Å; L54-R58 VanDerWaalsContact O-CB 3.31Å; L54-R58 WeakPolarHBondContact O-CB 3.27Å; L54-R58 VanDerWaalsContact O-CG 3.27Å; L54-R58 WeakPolarHBondContact O-CG 3.33Å; L54-R58 PolarHBondContact O-N 3.25Å; S55-R58 WeakPolarHBondContact O-CB 3.41Å; S55-R58 PolarHBondContact O-N 3.39Å; R58-N61 WeakPolarHBondContact CA-ND2 3.38Å
59K81Confident84.7Confident177 Ų177106 Ų10677%0.7757%0.568SS**Hα-helixtrans-73.9-37.7175.2-71.6177.5-179.6-179.40113.4S55 V56 A57 N61S55-K59 WeakPolarHBondContact O-CG 3.16Å; S55-K59 PolarHBondContact O-N 2.69Å; V56-K59 PolarHBondContact O-N 3.13Å; A57-K59 PolarHBondContact O-N 3.24Å; A57-K59 VanDerWaalsContact O-N 3.14Å; K59-N61 VanDerWaalsContact C-N 3.31Å
60R78.7Confident85.2Confident196 Ų196113.1 Ų113.174%0.7458%0.584SS**Hα-helixtrans-84.7-1.5178.5-69.3-176-179.6141.72.8113.4V56 A57 A62V56-R60 HydrophobicContact CG1-CG 4.27Å; V56-R60 WeakPolarHBondContact O-CB 3.35Å; V56-R60 WeakPolarHBondContact O-CG 3.49Å; V56-R60 PolarHBondContact O-N 3.21Å; A57-R60 CarbonylContact O-C 3.59Å; A57-R60 PolarHBondContact O-N 2.77Å; R60-A62 PolarHBondContact O-N 2.89Å
61N67.8Low85.7Confident103 Ų103115.5 Ų115.555%0.55159%0.593SS**  trans-69.933.4176.3-73.3-12.8000112.9A57 R58 K59 I63A57-N61 WeakPolarHBondContact O-CB 3.42Å; A57-N61 PolarHBondContact O-N 2.78Å; A57-N61 PolarHBondContact O-ND2 3.44Å; A57-N61 PolarHBondContact O-OD1 2.76Å; R58-N61 WeakPolarHBondContact CA-ND2 3.38Å; K59-N61 VanDerWaalsContact C-N 3.31Å; N61-I63 PolarHBondContact O-N 2.79Å
62A71.9Confident86.3Confident84 Ų84110.6 Ų110.669%0.69458%0.579SS**  trans-7081.7156.200000107R60 L64R60-A62 PolarHBondContact O-N 2.89Å; A62-L64 PolarHBondContact O-N 3.01Å
63I78.6Confident86.7Confident157 Ų157106.9 Ų106.981%0.80556%0.562SS**  trans-54.7113.4174.4-61.1168.6000106.6N61 S65N61-I63 PolarHBondContact O-N 2.79Å; I63-S65 PolarHBondContact O-N 3.47Å; I63-S65 VanDerWaalsContact O-N 3.15Å
64L84.6Confident87.2Confident164 Ų164102.7 Ų102.786%0.85955%0.547SS*.PPolyproline II helixtrans-57.8123.3173.2-66175.9000107.6A62 S66A62-L64 PolarHBondContact O-N 3.01Å; L64-S66 PolarHBondContact O-N 3.15Å
65S87.3Confident87.7Confident104 Ų104109.3 Ų109.373%0.72757%0.57SS**PPolyproline II helixtrans-58140.4174.857.30000109.3I63I63-S65 PolarHBondContact O-N 3.47Å; I63-S65 VanDerWaalsContact O-N 3.15Å
66S90.4Very high88.3Confident102 Ų102111.2 Ų111.271%0.71358%0.576SS**PPolyproline II helixtrans-50.4135.5171.856.80000109.9L64 L68L64-S66 PolarHBondContact O-N 3.15Å; S66-L68 PolarHBondContact O-N 3.37Å
67P93.4Very high88.9Confident124 Ų124117.7 Ų117.781%0.80560%0.595SS**PPolyproline II helixtrans-56.1135.7-176.423.5-33.9000110.7
68L93.2Very high89.5Confident105 Ų105123.8 Ų123.855%0.5561%0.609SS.*PPolyproline II helixtrans-62.6154.3177-66.8170.8000110.7S66 A72 A73 I76S66-L68 PolarHBondContact O-N 3.37Å; L68-A72 HydrophobicContact CB-CB 4.22Å; L68-A73 HydrophobicContact CB-CB 4.43Å; L68-I76 HydrophobicContact CD1-CD1 3.41Å; L68-I76 VanDerWaalsContact CD1-CD1 3.41Å
69H96.6Very high90.4Very high127 Ų127120.4 Ų120.459%0.58861%0.606SS**PPolyproline II helixtrans-54.4143.7171.1178.966.2000110.8Q71 A72 A73H69-Q71 PolarHBondContact O-N 3.42Å; H69-A72 WeakPolarHBondContact O-CA 3.46Å; H69-A72 WeakPolarHBondContact O-CB 3.49Å; H69-A72 PolarHBondContact O-N 2.99Å; H69-A73 PolarHBondContact O-N 2.9Å
70R96.4Very high91.2Very high201 Ų201114.5 Ų114.576%0.75858%0.584SS**Hα-helixtrans-45.6-46.6-174-170.4-179.5101.5110.1-2.2113A73 S74R70-A73 PolarHBondContact O-N 2.96Å; R70-S74 WeakPolarHBondContact O-CB 3.43Å; R70-S74 PolarHBondContact O-N 3.29Å; R70-S74 PolarHBondContact O-OG 3.07Å; R70-S74 VanDerWaalsContact O-OG 3.13Å
71Q97.1Very high92.1Very high120 Ų120106.3 Ų106.356%0.56156%0.561SS**Hα-helixtrans-65.3-40.3-178.9-59.21798.200113H69 R75H69-Q71 PolarHBondContact O-N 3.42Å; Q71-R75 VanDerWaalsContact O-CG 3.31Å; Q71-R75 WeakPolarHBondContact O-CG 3.4Å; Q71-R75 PolarHBondContact O-N 3.46Å
72A96.9Very high93.6Very high38 Ų38109.4 Ų109.431%0.31457%0.566SS.*Hα-helixtrans-66.6-45.9176.400000111L68 H69 S74 R75 I76L68-A72 HydrophobicContact CB-CB 4.22Å; H69-A72 WeakPolarHBondContact O-CA 3.46Å; H69-A72 WeakPolarHBondContact O-CB 3.49Å; H69-A72 PolarHBondContact O-N 2.99Å; A72-S74 PolarHBondContact O-N 3.06Å; A72-R75 PolarHBondContact O-N 3.24Å; A72-I76 WeakPolarHBondContact O-CG1 3.31Å; A72-I76 PolarHBondContact O-N 3.45Å; A72-I76 VanDerWaalsContact O-N 3.07Å
73A97.2Very high94.8Very high22 Ų22112.3 Ų112.318%0.18256%0.559CS.*Hα-helixtrans-59-45.6175.200000111.9L68 H69 R70 R75 I76 R77L68-A73 HydrophobicContact CB-CB 4.43Å; H69-A73 PolarHBondContact O-N 2.9Å; R70-A73 PolarHBondContact O-N 2.96Å; A73-R75 PolarHBondContact O-N 2.98Å; A73-I76 PolarHBondContact O-N 3.13Å; A73-R77 WeakPolarHBondContact O-CG 3.42Å; A73-R77 PolarHBondContact O-N 2.9Å
74S97.3Very high95.8Very high42 Ų42109.8 Ų109.829%0.29454%0.544SS..Hα-helixtrans-65.5-33.7177.1-65.90000113.4R70 A72 R78R70-S74 WeakPolarHBondContact O-CB 3.43Å; R70-S74 PolarHBondContact O-N 3.29Å; R70-S74 PolarHBondContact O-OG 3.07Å; R70-S74 VanDerWaalsContact O-OG 3.13Å; A72-S74 PolarHBondContact O-N 3.06Å; S74-R78 WeakPolarHBondContact O-CB 3.46Å; S74-R78 WeakPolarHBondContact O-CG 3.26Å; S74-R78 PolarHBondContact O-N 3.48Å
75R97.9Very high96.4Very high163 Ų163107.8 Ų107.862%0.61553%0.528SS*.Hα-helixtrans-63.9-45.5173-77.8175.3-176.7-164.90.8111.2Q71 A72 A73 R78 S79Q71-R75 VanDerWaalsContact O-CG 3.31Å; Q71-R75 WeakPolarHBondContact O-CG 3.4Å; Q71-R75 PolarHBondContact O-N 3.46Å; A72-R75 PolarHBondContact O-N 3.24Å; A73-R75 PolarHBondContact O-N 2.98Å; R75-R78 PolarHBondContact O-N 3.01Å; R75-S79 PolarHBondContact O-N 3.3Å
76I97.4Very high96.8Very high86 Ų86104.7 Ų104.744%0.44151%0.506SS..Hα-helixtrans-62.5-49177.9-65.3167.3000110.3L68 A72 A73 R78 S79 V80L68-I76 HydrophobicContact CD1-CD1 3.41Å; L68-I76 VanDerWaalsContact CD1-CD1 3.41Å; A72-I76 WeakPolarHBondContact O-CG1 3.31Å; A72-I76 PolarHBondContact O-N 3.45Å; A72-I76 VanDerWaalsContact O-N 3.07Å; A73-I76 PolarHBondContact O-N 3.13Å; I76-R78 VanDerWaalsContact C-N 3.31Å; I76-R78 PolarHBondContact O-N 2.89Å; I76-S79 WeakPolarHBondContact CA-OG 3.36Å; I76-S79 PolarHBondContact O-N 2.96Å; I76-S79 PolarHBondContact O-OG 2.66Å; I76-V80 HydrophobicContact CG2-CG2 4.47Å; I76-V80 WeakPolarHBondContact O-CG2 3.47Å; I76-V80 PolarHBondContact O-N 3.19Å
77R97.9Very high97Very high186 Ų186104.8 Ų104.870%0.70250%0.495SS*.Hα-helixtrans-56.5-43.9177.2-70.8178.9-168168.41.9112.5A73 V80 G81A73-R77 WeakPolarHBondContact O-CG 3.42Å; A73-R77 PolarHBondContact O-N 2.9Å; R77-V80 PolarHBondContact O-N 3.05Å; R77-G81 PolarHBondContact O-N 3.36Å
78R97.8Very high97Very high169 Ų169103 Ų10364%0.63848%0.476SS*.Hα-helixtrans-63.5-39.6174.8-75.9-173.4-64.9149.8-3.9112.7S74 R75 I76 V80 G81 Y82S74-R78 WeakPolarHBondContact O-CB 3.46Å; S74-R78 WeakPolarHBondContact O-CG 3.26Å; S74-R78 PolarHBondContact O-N 3.48Å; R75-R78 PolarHBondContact O-N 3.01Å; I76-R78 VanDerWaalsContact C-N 3.31Å; I76-R78 PolarHBondContact O-N 2.89Å; R78-V80 VanDerWaalsContact C-N 3.33Å; R78-G81 PolarHBondContact O-N 3.04Å; R78-Y82 VanDerWaalsContact O-CB 3.26Å; R78-Y82 WeakPolarHBondContact O-CB 3.47Å; R78-Y82 PolarHBondContact O-N 3.01Å
79S98.4Very high97Very high59 Ų59103.4 Ų103.441%0.41348%0.478SS..Hα-helixtrans-66-35.9177.869.60000112.8R75 I76 R83R75-S79 PolarHBondContact O-N 3.3Å; I76-S79 WeakPolarHBondContact CA-OG 3.36Å; I76-S79 PolarHBondContact O-N 2.96Å; I76-S79 PolarHBondContact O-OG 2.66Å; S79-R83 PolarHBondContact O-N 3.36Å
80V98.4Very high96.8Very high53 Ų53103.1 Ų103.132%0.32148%0.475SS..Hα-helixtrans-70-50.2174.6174.90000110I76 R77 R78 Y82 R83 E84I76-V80 HydrophobicContact CG2-CG2 4.47Å; I76-V80 WeakPolarHBondContact O-CG2 3.47Å; I76-V80 PolarHBondContact O-N 3.19Å; R77-V80 PolarHBondContact O-N 3.05Å; R78-V80 VanDerWaalsContact C-N 3.33Å; V80-Y82 VanDerWaalsContact C-N 3.28Å; V80-Y82 PolarHBondContact O-N 2.94Å; V80-R83 WeakPolarHBondContact O-CB 3.38Å; V80-R83 PolarHBondContact O-N 2.83Å; V80-E84 PolarHBondContact O-N 3.33Å
81G98.4Very high96.6Very high24 Ų2498.7 Ų98.725%0.24747%0.467CS..Hα-helixtrans-61.6-34177.600000113.4R77 R78 K85R77-G81 PolarHBondContact O-N 3.36Å; R78-G81 PolarHBondContact O-N 3.04Å; G81-K85 WeakPolarHBondContact O-CB 3.47Å; G81-K85 VanDerWaalsContact O-CG 3.23Å; G81-K85 WeakPolarHBondContact O-CG 3.49Å; G81-K85 PolarHBondContact O-N 2.99Å
82Y98.3Very high96.4Very high167 Ų16795.5 Ų95.566%0.65545%0.449SS*.Hα-helixtrans-62.6-44.7171.5173.9-102.9000111.5R78 V80 K85 C86R78-Y82 VanDerWaalsContact O-CB 3.26Å; R78-Y82 WeakPolarHBondContact O-CB 3.47Å; R78-Y82 PolarHBondContact O-N 3.01Å; V80-Y82 VanDerWaalsContact C-N 3.28Å; V80-Y82 PolarHBondContact O-N 2.94Å; Y82-K85 PolarHBondContact O-N 3.31Å; Y82-C86 VanDerWaalsContact CE2-SG 3.55Å; Y82-C86 WeakPolarHBondContact O-CB 3.37Å; Y82-C86 PolarHBondContact O-N 3.08Å; Y82-C86 PolarHBondContact O-SG 3.27Å
83R98.3Very high96.3Very high145 Ų14598 Ų9855%0.54746%0.458SS..Hα-helixtrans-61-47.7178.1-172.3-174.4-59.9140.22.3111.6S79 V80 K85 C86 E87S79-R83 PolarHBondContact O-N 3.36Å; V80-R83 WeakPolarHBondContact O-CB 3.38Å; V80-R83 PolarHBondContact O-N 2.83Å; R83-K85 VanDerWaalsContact C-N 3.32Å; R83-K85 PolarHBondContact O-N 2.97Å; R83-C86 WeakPolarHBondContact O-CB 3.23Å; R83-C86 PolarHBondContact O-N 3.23Å; R83-E87 WeakPolarHBondContact O-CG 3.46Å; R83-E87 PolarHBondContact O-N 3.44Å
84E97.8Very high96Very high104 Ų104102.4 Ų102.449%0.48648%0.478SS..Hα-helixtrans-58.8-44.3177-68.3168.617700111.1V80 C86 E87 E88V80-E84 PolarHBondContact O-N 3.33Å; E84-C86 PolarHBondContact O-N 3.34Å; E84-E87 WeakPolarHBondContact O-CB 3.47Å; E84-E87 PolarHBondContact O-N 3.36Å; E84-E87 VanDerWaalsContact O-N 3.16Å; E84-E88 PolarHBondContact O-N 3.43Å
85K97.5Very high95.7Very high122 Ų122102.1 Ų102.153%0.5347%0.472SS..Hα-helixtrans-68-34.4177.4-69.3-68.5164.8-145.60113.5G81 Y82 R83 E87 E88 L89G81-K85 WeakPolarHBondContact O-CB 3.47Å; G81-K85 VanDerWaalsContact O-CG 3.23Å; G81-K85 WeakPolarHBondContact O-CG 3.49Å; G81-K85 PolarHBondContact O-N 2.99Å; Y82-K85 PolarHBondContact O-N 3.31Å; R83-K85 VanDerWaalsContact C-N 3.32Å; R83-K85 PolarHBondContact O-N 2.97Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E88 IonicContact NZ-OE1 2.72Å; K85-E88 PolarHBondContact NZ-OE1 2.86Å; K85-E88 IonicContact NZ-OE2 3.85Å; K85-E88 PolarHBondContact NZ-OE2 3.01Å; K85-E88 PolarHBondContact O-N 3.49Å; K85-L89 WeakPolarHBondContact O-CB 3.41Å; K85-L89 PolarHBondContact O-N 3.45Å
86C97.2Very high95.6Very high39 Ų3997 Ų9726%0.26446%0.458SS..Hα-helixtrans-65.5-35.5171.1-72.90000111.9Y82 R83 E84 L89 K90Y82-C86 VanDerWaalsContact CE2-SG 3.55Å; Y82-C86 WeakPolarHBondContact O-CB 3.37Å; Y82-C86 PolarHBondContact O-N 3.08Å; Y82-C86 PolarHBondContact O-SG 3.27Å; R83-C86 WeakPolarHBondContact O-CB 3.23Å; R83-C86 PolarHBondContact O-N 3.23Å; E84-C86 PolarHBondContact O-N 3.34Å; C86-L89 PolarHBondContact O-N 3.48Å; C86-K90 WeakPolarHBondContact O-CG 3.44Å; C86-K90 PolarHBondContact O-N 2.99Å
87E94.5Very high95.4Very high105 Ų10598.5 Ų98.549%0.49146%0.463SS..Hα-helixtrans-66.7-44.5174.6-72.3169.1-172.900111.5R83 E84 K85 L89 K90R83-E87 WeakPolarHBondContact O-CG 3.46Å; R83-E87 PolarHBondContact O-N 3.44Å; E84-E87 WeakPolarHBondContact O-CB 3.47Å; E84-E87 PolarHBondContact O-N 3.36Å; E84-E87 VanDerWaalsContact O-N 3.16Å; K85-E87 VanDerWaalsContact C-N 3.31Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 3.16Å; E87-K90 WeakPolarHBondContact O-CB 3.48Å; E87-K90 PolarHBondContact O-N 3.21Å
88E92.1Very high95.2Very high87 Ų8794 Ų9441%0.40745%0.452SS..Hα-helixtrans-61.6-33.1173.1-69175.3-156.800113.1E84 K85E84-E88 PolarHBondContact O-N 3.43Å; K85-E88 IonicContact NZ-OE1 2.72Å; K85-E88 PolarHBondContact NZ-OE1 2.86Å; K85-E88 IonicContact NZ-OE2 3.85Å; K85-E88 PolarHBondContact NZ-OE2 3.01Å; K85-E88 PolarHBondContact O-N 3.49Å
89L93.4Very high94.9Very high112 Ų11287.5 Ų87.559%0.58643%0.433SS*.Hα-helixtrans-73.2-30179.4-173.862.6000112.4K85 C86 E87 D91 W92K85-L89 WeakPolarHBondContact O-CB 3.41Å; K85-L89 PolarHBondContact O-N 3.45Å; C86-L89 PolarHBondContact O-N 3.48Å; E87-L89 VanDerWaalsContact C-N 3.28Å; E87-L89 PolarHBondContact O-N 3.16Å; L89-D91 PolarHBondContact O-N 3.29Å; L89-W92 WeakPolarHBondContact O-CB 3.44Å; L89-W92 PolarHBondContact O-N 2.78Å
90K93.6Very high94.7Very high122 Ų12294.5 Ų94.553%0.5345%0.45SS..Hα-helixtrans-59.7-27.7179.2-76.9171.1-174.5175.30113.1C86 E87 W92 D93C86-K90 WeakPolarHBondContact O-CG 3.44Å; C86-K90 PolarHBondContact O-N 2.99Å; E87-K90 WeakPolarHBondContact O-CB 3.48Å; E87-K90 PolarHBondContact O-N 3.21Å; K90-W92 PolarHBondContact O-N 2.69Å; K90-D93 WeakPolarHBondContact O-CB 3.42Å; K90-D93 PolarHBondContact O-N 3.01Å
91D90.6Very high94.6Very high108 Ų10896.4 Ų96.458%0.57846%0.462SS*.THydrogen-bonded Turntrans-56.7-24.4175.4-64-16.6000112.2L89 L488L89-D91 PolarHBondContact O-N 3.29Å; D91-L488 HydrophobicContact CB-CD1 4.34Å; D91-L488 WeakPolarHBondContact O-CD2 3.45Å
92W93.2Very high94.4Very high52 Ų5297.3 Ų97.320%0.19747%0.467CS..THydrogen-bonded Turntrans-93.4-10.8178.7-68.789.6000114.6L89 K90 D94 F95 V96 A483 D484 R485 L488L89-W92 WeakPolarHBondContact O-CB 3.44Å; L89-W92 PolarHBondContact O-N 2.78Å; K90-W92 PolarHBondContact O-N 2.69Å; W92-D94 VanDerWaalsContact C-N 3.3Å; W92-D94 PolarHBondContact O-N 3.01Å; W92-F95 HydrophobicContact CE3-CB 4.35Å; W92-F95 AromaticContact CE3-CD1 3.76Å; W92-F95 HydrophobicContact CE3-CD1 3.76Å; W92-F95 HydrophobicContact CE3-CE1 4.41Å; W92-F95 HydrophobicContact CE3-CG 4.22Å; W92-F95 AromaticContact CZ3-CD1 3.94Å; W92-F95 HydrophobicContact CZ3-CD1 3.94Å; W92-F95 HydrophobicContact CZ3-CE1 4.21Å; W92-F95 HydrophobicContact CZ3-CG 4.39Å; W92-F95 PolarHBondContact O-N 3.38Å; W92-V96 WeakPolarHBondContact O-CG2 3.22Å; W92-V96 PolarHBondContact O-N 3.18Å; W92-A483 HydrophobicContact CH2-CB 4.04Å; W92-A483 WeakPolarHBondContact CH2-O 3.38Å; W92-A483 HydrophobicContact CZ3-CB 3.74Å; W92-D484 WeakPolarHBondContact CH2-O 3.25Å; W92-R485 HydrophobicContact CZ2-CG 4.08Å; W92-L488 HydrophobicContact CD2-CD1 4.14Å; W92-L488 HydrophobicContact CD2-CD2 3.86Å; W92-L488 HydrophobicContact CD2-CG 4.35Å; W92-L488 HydrophobicContact CE3-CD2 3.63Å; W92-L488 HydrophobicContact CE3-CG 4.29Å; W92-L488 HydrophobicContact CG-CD2 4.39Å; W92-L488 HydrophobicContact CH2-CD1 4.47Å; W92-L488 HydrophobicContact CH2-CD2 4.45Å; W92-L488 HydrophobicContact CH2-CG 4.26Å; W92-L488 HydrophobicContact CZ2-CD1 4.01Å; W92-L488 HydrophobicContact CZ2-CG 4.3Å; W92-L488 HydrophobicContact CZ3-CD2 3.94Å; W92-L488 HydrophobicContact CZ3-CG 4.23Å
93D94.2Very high94.2Very high92 Ų9296.2 Ų96.249%0.49247%0.473SS..Hα-helixtrans-59.9-43.1-174.3-77-21.8000111.2K90 V96 H97K90-D93 WeakPolarHBondContact O-CB 3.42Å; K90-D93 PolarHBondContact O-N 3.01Å; D93-V96 PolarHBondContact O-N 3.07Å; D93-H97 VanDerWaalsContact O-CB 3.25Å; D93-H97 WeakPolarHBondContact O-CB 3.49Å; D93-H97 PolarHBondContact O-N 3Å
94D91.8Very high94Very high113 Ų11393.4 Ų93.460%0.60446%0.462SS*.Hα-helixtrans-64.3-44.5178.2-72.9-13.8000111.6W92 H97 L98W92-D94 VanDerWaalsContact C-N 3.3Å; W92-D94 PolarHBondContact O-N 3.01Å; D94-H97 PolarHBondContact O-N 3.19Å; D94-L98 WeakPolarHBondContact O-CB 3.44Å; D94-L98 VanDerWaalsContact O-CG 3.22Å; D94-L98 WeakPolarHBondContact O-CG 3.45Å; D94-L98 PolarHBondContact O-N 3.45Å
95F91.7Very high93.8Very high37 Ų3790.1 Ų90.116%0.16245%0.447CS..Hα-helixtrans-62.1-48.2177.4174.5-96.4000111W92 H97 L98 S99 L109 A483 L487 L488W92-F95 HydrophobicContact CE3-CB 4.35Å; W92-F95 AromaticContact CE3-CD1 3.76Å; W92-F95 HydrophobicContact CE3-CD1 3.76Å; W92-F95 HydrophobicContact CE3-CE1 4.41Å; W92-F95 HydrophobicContact CE3-CG 4.22Å; W92-F95 AromaticContact CZ3-CD1 3.94Å; W92-F95 HydrophobicContact CZ3-CD1 3.94Å; W92-F95 HydrophobicContact CZ3-CE1 4.21Å; W92-F95 HydrophobicContact CZ3-CG 4.39Å; W92-F95 PolarHBondContact O-N 3.38Å; F95-H97 VanDerWaalsContact C-N 3.31Å; F95-H97 PolarHBondContact O-N 3.04Å; F95-L98 PolarHBondContact O-N 3.01Å; F95-S99 PolarHBondContact O-N 2.86Å; F95-S99 PolarHBondContact O-OG 2.69Å; F95-S99 VanDerWaalsContact O-OG 3.06Å; F95-L109 HydrophobicContact CZ-CD1 4.26Å; F95-A483 HydrophobicContact CE1-CB 3.96Å; F95-A483 HydrophobicContact CZ-CB 4.11Å; F95-L487 HydrophobicContact CD2-CB 4.42Å; F95-L487 HydrophobicContact CE2-CB 3.98Å; F95-L487 HydrophobicContact CE2-CD1 4.21Å; F95-L487 HydrophobicContact CZ-CD1 4.1Å; F95-L488 HydrophobicContact CB-CD2 3.84Å; F95-L488 HydrophobicContact CG-CD2 4.42Å
96V94.1Very high93.6Very high55 Ų5589.2 Ų89.233%0.33345%0.445SS..Hα-helixtrans-62.3-40.2178.1173.20000110.9W92 D93 R100W92-V96 WeakPolarHBondContact O-CG2 3.22Å; W92-V96 PolarHBondContact O-N 3.18Å; D93-V96 PolarHBondContact O-N 3.07Å; V96-R100 HydrophobicContact CG1-CG 4.49Å; V96-R100 WeakPolarHBondContact O-CB 3.37Å; V96-R100 VanDerWaalsContact O-CG 3.25Å; V96-R100 WeakPolarHBondContact O-CG 3.33Å; V96-R100 PolarHBondContact O-N 2.66Å
97H94.8Very high93.5Very high118 Ų11889.6 Ų89.655%0.54644%0.442SS..Hα-helixtrans-63.6-48.8176.1-178.8-83.5000111.4D93 D94 F95 S99 R100 V101D93-H97 VanDerWaalsContact O-CB 3.25Å; D93-H97 WeakPolarHBondContact O-CB 3.49Å; D93-H97 PolarHBondContact O-N 3Å; D94-H97 PolarHBondContact O-N 3.19Å; F95-H97 VanDerWaalsContact C-N 3.31Å; F95-H97 PolarHBondContact O-N 3.04Å; H97-S99 VanDerWaalsContact C-N 3.34Å; H97-S99 PolarHBondContact O-N 2.85Å; H97-R100 PolarHBondContact O-N 2.85Å; H97-V101 WeakPolarHBondContact O-CG2 3.31Å; H97-V101 PolarHBondContact O-N 3.34Å
98L92.8Very high93.3Very high90 Ų9086 Ų8647%0.47143%0.428SS..Hα-helixtrans-60-43177.3-71.5170.6000111.5D94 F95 R100 V101 A102D94-L98 WeakPolarHBondContact O-CB 3.44Å; D94-L98 VanDerWaalsContact O-CG 3.22Å; D94-L98 WeakPolarHBondContact O-CG 3.45Å; D94-L98 PolarHBondContact O-N 3.45Å; F95-L98 PolarHBondContact O-N 3.01Å; L98-R100 PolarHBondContact O-N 3.35Å; L98-V101 PolarHBondContact O-N 2.85Å; L98-A102 VanDerWaalsContact O-CB 3.31Å; L98-A102 WeakPolarHBondContact O-CB 3.49Å; L98-A102 PolarHBondContact O-N 2.72Å
99S92.6Very high93.1Very high33 Ų3384.8 Ų84.823%0.23142%0.424CS..Hα-helixtrans-64.3-37.2175.4-58.70000112.8F95 H97 I105F95-S99 PolarHBondContact O-N 2.86Å; F95-S99 PolarHBondContact O-OG 2.69Å; F95-S99 VanDerWaalsContact O-OG 3.06Å; H97-S99 VanDerWaalsContact C-N 3.34Å; H97-S99 PolarHBondContact O-N 2.85Å; S99-I105 WeakPolarHBondContact O-CD1 3.47Å
100R94.3Very high92.4Very high206 Ų20681.8 Ų81.878%0.77741%0.407SS*.Hα-helixtrans-71.2-32.7177.8-75.9175.3-176.4-176.44.4113.5V96 H97 L98V96-R100 HydrophobicContact CG1-CG 4.49Å; V96-R100 WeakPolarHBondContact O-CB 3.37Å; V96-R100 VanDerWaalsContact O-CG 3.25Å; V96-R100 WeakPolarHBondContact O-CG 3.33Å; V96-R100 PolarHBondContact O-N 2.66Å; H97-R100 PolarHBondContact O-N 2.85Å; L98-R100 PolarHBondContact O-N 3.35Å
101V95.1Very high91.1Very high94 Ų9483.3 Ų83.357%0.5742%0.416SS*.Hα-helixtrans-87.4-21.2-179.11760000111.7H97 L98 D103H97-V101 WeakPolarHBondContact O-CG2 3.31Å; H97-V101 PolarHBondContact O-N 3.34Å; L98-V101 PolarHBondContact O-N 2.85Å; V101-D103 PolarHBondContact O-N 3.44Å
102A94.7Very high89.7Confident43 Ų4380.3 Ų80.336%0.35541%0.41SS..  trans-59.2131.2176.700000111.5L98 R104L98-A102 VanDerWaalsContact O-CB 3.31Å; L98-A102 WeakPolarHBondContact O-CB 3.49Å; L98-A102 PolarHBondContact O-N 2.72Å; A102-R104 PolarHBondContact O-N 3.41Å
103D94.2Very high88Confident144 Ų14482.2 Ų82.277%0.7744%0.437SS*.SBendtrans-61.5-36.3176.9-64.4-22.3000111.3V101 S471V101-D103 PolarHBondContact O-N 3.44Å; D103-S471 PolarHBondContact O-OG 2.99Å; D103-S471 VanDerWaalsContact O-OG 3.06Å
104R93.8Very high86.2Confident85 Ų8586.3 Ų86.332%0.32145%0.446SS..  trans-137.6138.8-175.7-58179.5-169.5153.68.5111.9A102 L466 E469 S471A102-R104 PolarHBondContact O-N 3.41Å; R104-L466 PolarHBondContact NH2-O 3.16Å; R104-E469 IonicContact CZ-OE2 3.54Å; R104-E469 IonicContact NE-OE2 2.77Å; R104-E469 VanDerWaalsContact NH1-CD 3.3Å; R104-E469 IonicContact NH1-OE1 3.72Å; R104-E469 IonicContact NH1-OE2 2.8Å; R104-E469 PolarHBondContact NH1-OE2 3.25Å; R104-S471 CarbonylContact C-O 3.59Å; R104-S471 VanDerWaalsContact CA-O 3.31Å; R104-S471 WeakPolarHBondContact CA-O 3.44Å
105I94.2Very high84.4Confident35 Ų3588 Ų8818%0.17946%0.455CS..EExtended strand (participates in β ladder)trans-124.6119174-52.6177000108.3S99 F107 L109 S471 V472 S473S99-I105 WeakPolarHBondContact O-CD1 3.47Å; I105-F107 HydrophobicContact CB-CE2 4.48Å; I105-F107 HydrophobicContact CG2-CD2 4.21Å; I105-F107 HydrophobicContact CG2-CE2 3.61Å; I105-F107 HydrophobicContact CG2-CZ 3.78Å; I105-L109 HydrophobicContact CG2-CD2 4.06Å; I105-S471 PolarHBondContact N-O 3.01Å; I105-V472 WeakPolarHBondContact O-CA 3.25Å; I105-S473 PolarHBondContact O-N 3.21Å
106H93.6Very high82.7Confident104 Ų10493.9 Ų93.948%0.48149%0.487SS..EExtended strand (participates in β ladder)trans-102.2131.3176.2-55.8-74000109.3S473H106-S473 CarbonylContact C-O 3.27Å; H106-S473 WeakPolarHBondContact CA-O 3.46Å; H106-S473 PolarHBondContact ND1-OG 3.49Å
107F93.7Very high80.8Confident47 Ų47100.3 Ų100.321%0.20651%0.511CS..EExtended strand (participates in β ladder)trans-111.6136.7172.5-69.3-80.3000109.9I105 L109 V472 S473 T474 E475 I480I105-F107 HydrophobicContact CB-CE2 4.48Å; I105-F107 HydrophobicContact CG2-CD2 4.21Å; I105-F107 HydrophobicContact CG2-CE2 3.61Å; I105-F107 HydrophobicContact CG2-CZ 3.78Å; F107-L109 HydrophobicContact CD1-CD1 4.22Å; F107-L109 HydrophobicContact CD1-CD2 4.41Å; F107-L109 HydrophobicContact CD1-CG 3.71Å; F107-L109 HydrophobicContact CE1-CD1 3.61Å; F107-L109 HydrophobicContact CE1-CD2 4.15Å; F107-L109 HydrophobicContact CE1-CG 3.55Å; F107-L109 HydrophobicContact CZ-CD1 4.49Å; F107-L109 HydrophobicContact CZ-CG 4.49Å; F107-V472 HydrophobicContact CD2-CG1 4.06Å; F107-V472 HydrophobicContact CE2-CG1 3.97Å; F107-S473 PolarHBondContact N-O 2.9Å; F107-T474 HydrophobicContact CB-CG2 4.21Å; F107-T474 HydrophobicContact CD2-CG2 4.29Å; F107-E475 PolarHBondContact O-N 3.29Å; F107-I480 HydrophobicContact CB-CD1 4.18Å; F107-I480 HydrophobicContact CB-CG1 4.16Å; F107-I480 HydrophobicContact CB-CG2 4.27Å; F107-I480 HydrophobicContact CD1-CG2 3.5Å; F107-I480 HydrophobicContact CE1-CG2 4Å; F107-I480 HydrophobicContact CG-CD1 4.44Å; F107-I480 HydrophobicContact CG-CG2 3.99Å
108P91.8Very high78.7Confident29 Ų2999.7 Ų99.719%0.18851%0.51CS..  cis-74.2142.610.132.9-40000114.5Q110 E478P108-Q110 VanDerWaalsContact C-N 3.3Å; P108-E478 HydrophobicContact CG-CG 4.31Å
109L87.9Confident76.8Confident62 Ų62101.5 Ų101.533%0.32553%0.525SS..SBendtrans-69.9-30.6177.9-71.9169.1000112.7F95 I105 F107 A483 L487F95-L109 HydrophobicContact CZ-CD1 4.26Å; I105-L109 HydrophobicContact CG2-CD2 4.06Å; F107-L109 HydrophobicContact CD1-CD1 4.22Å; F107-L109 HydrophobicContact CD1-CD2 4.41Å; F107-L109 HydrophobicContact CD1-CG 3.71Å; F107-L109 HydrophobicContact CE1-CD1 3.61Å; F107-L109 HydrophobicContact CE1-CD2 4.15Å; F107-L109 HydrophobicContact CE1-CG 3.55Å; F107-L109 HydrophobicContact CZ-CD1 4.49Å; F107-L109 HydrophobicContact CZ-CG 4.49Å; L109-A483 HydrophobicContact CD1-CB 4.45Å; L109-L487 HydrophobicContact CB-CD1 3.94Å; L109-L487 HydrophobicContact CD1-CD1 4.07Å
110Q77.3Confident74.8Confident48 Ų48109.2 Ų109.222%0.22456%0.557CS.*SBendtrans-101.3116.1176-68173.1-5.200106.5P108 G112 S486 L487P108-Q110 VanDerWaalsContact C-N 3.3Å; Q110-G112 PolarHBondContact O-N 3.41Å; Q110-S486 PolarHBondContact NE2-OG 2.79Å; Q110-L487 HydrophobicContact CG-CD1 4.33Å; Q110-L487 HydrophobicContact CG-CD2 3.88Å; Q110-L487 HydrophobicContact CG-CG 4.2Å
111E65.9Low73Confident155 Ų155102.6 Ų102.672%0.72455%0.553SS**  trans-65.692.9154.9-64.9179.6-167.100105A113E111-A113 PolarHBondContact O-N 3.41Å; E111-A113 VanDerWaalsContact O-N 3.12Å
112G62.2Low70.9Confident44 Ų44101 Ų10145%0.45455%0.549SS..  trans-47.4127.5170.300000106Q110 R114Q110-G112 PolarHBondContact O-N 3.41Å; G112-R114 VanDerWaalsContact C-N 3.26Å; G112-R114 PolarHBondContact O-N 3.1Å
113A57Low69Low93 Ų93104.1 Ų104.177%0.76956%0.564SS**  trans-44.399.4-173.500000107.2E111 D115E111-A113 PolarHBondContact O-N 3.41Å; E111-A113 VanDerWaalsContact O-N 3.12Å; A113-D115 VanDerWaalsContact C-N 3.3Å; A113-D115 PolarHBondContact O-N 2.77Å
114R56.7Low67.3Low178 Ų178104.2 Ų104.267%0.67257%0.565SS**  trans-62.1111.4179.1-71.8179.6177.3167.90.5100.6G112 L116G112-R114 VanDerWaalsContact C-N 3.26Å; G112-R114 PolarHBondContact O-N 3.1Å; R114-L116 VanDerWaalsContact C-N 3.31Å; R114-L116 WeakPolarHBondContact O-CA 3.49Å; R114-L116 PolarHBondContact O-N 3.4Å
115D54.5Low65.9Low147 Ų147106.1 Ų106.179%0.78659%0.585SS**  trans-39.8110.3172.6-68.2-34.3000103.9A113 K117A113-D115 VanDerWaalsContact C-N 3.3Å; A113-D115 PolarHBondContact O-N 2.77Å; D115-K117 PolarHBondContact O-N 2.99Å
116L55.1Low64.6Low162 Ų162109.5 Ų109.585%0.84861%0.61SS**  trans-57.897.2-170.3-72167.9000103.5R114 I118R114-L116 VanDerWaalsContact C-N 3.31Å; R114-L116 WeakPolarHBondContact O-CA 3.49Å; R114-L116 PolarHBondContact O-N 3.4Å; L116-I118 VanDerWaalsContact C-N 3.27Å; L116-I118 PolarHBondContact O-N 3.39Å
117K55.6Low64.1Low190 Ų190113 Ų11383%0.82662%0.623SS**  trans-60.7108.6-177.8-85.7-176.1178.7177.40102.1D115 V119D115-K117 PolarHBondContact O-N 2.99Å; K117-V119 PolarHBondContact O-N 2.98Å
118I49.4Very low63.8Low104 Ų104114 Ų11453%0.53364%0.635SS.*  trans-43.5104.9-172.2-71.7154000107.2L116 E120 A122L116-I118 VanDerWaalsContact C-N 3.27Å; L116-I118 PolarHBondContact O-N 3.39Å; I118-E120 PolarHBondContact O-N 3.47Å; I118-A122 HydrophobicContact CB-CB 4.37Å; I118-A122 HydrophobicContact CD1-CB 4.43Å; I118-A122 WeakPolarHBondContact CD1-O 3.42Å; I118-A122 HydrophobicContact CG1-CB 3.99Å; I118-A122 VanDerWaalsContact CG2-C 3.47Å; I118-A122 HydrophobicContact CG2-CB 3.58Å; I118-A122 VanDerWaalsContact CG2-N 3.32Å; I118-A122 WeakPolarHBondContact CG2-O 3.45Å
119V53.9Low63.6Low128 Ų128119 Ų11978%0.77667%0.665SS**  trans-73110.8171.6176.60000103.8K117 G121K117-V119 PolarHBondContact O-N 2.98Å; V119-G121 PolarHBondContact O-N 3.17Å; V119-G121 VanDerWaalsContact O-N 3.08Å
120E50.9Low63.8Low195 Ų195120.7 Ų120.791%0.91167%0.674SS**SBendtrans25.774.6162.5-63.9-178.6158.500114.5I118I118-E120 PolarHBondContact O-N 3.47Å
121G55.2Low64.6Low68 Ų68126 Ų12670%0.70170%0.699SS**SBendtrans160.3-21.2174.300000118.2V119V119-G121 PolarHBondContact O-N 3.17Å; V119-G121 VanDerWaalsContact O-N 3.08Å
122A51.5Low65.8Low59 Ų59125 Ų12549%0.48869%0.692SS.*  trans-104.450.6173.400000111I118 D124I118-A122 HydrophobicContact CB-CB 4.37Å; I118-A122 HydrophobicContact CD1-CB 4.43Å; I118-A122 WeakPolarHBondContact CD1-O 3.42Å; I118-A122 HydrophobicContact CG1-CB 3.99Å; I118-A122 VanDerWaalsContact CG2-C 3.47Å; I118-A122 HydrophobicContact CG2-CB 3.58Å; I118-A122 VanDerWaalsContact CG2-N 3.32Å; I118-A122 WeakPolarHBondContact CG2-O 3.45Å; A122-D124 PolarHBondContact O-N 2.97Å
123V54.1Low67.2Low110 Ų110127.2 Ų127.267%0.66769%0.691SS**  trans-64.9119.8167.9-178.20000106V125V123-V125 PolarHBondContact O-N 3.44Å; V123-V125 VanDerWaalsContact O-N 3.16Å
124D59.9Low68.9Low146 Ų146124.6 Ų124.678%0.78167%0.669SS**SBendtrans-45.5125162.8-75.7-34.5000107.2A122A122-D124 PolarHBondContact O-N 2.97Å
125V64Low70.6Confident124 Ų124122 Ų12275%0.75267%0.665SS**SBendtrans-14.3114.1-174.4-176.50000112.8V123 K127V123-V125 PolarHBondContact O-N 3.44Å; V123-V125 VanDerWaalsContact O-N 3.16Å; V125-K127 PolarHBondContact O-N 2.87Å
126P67.3Low72.3Confident107 Ų107117.8 Ų117.870%0.69564%0.644SS**  trans-57.1115.4-169.723.9-33.6000109.8
127K81.7Confident73.9Confident176 Ų176111.4 Ų111.477%0.76562%0.615SS**  trans-77.9129.2173.9-62.7176.7-175.4173.30107.2V125 V129V125-K127 PolarHBondContact O-N 2.87Å; K127-V129 PolarHBondContact O-N 2.9Å
128P87.4Confident75.5Confident68 Ų68107 Ų10744%0.44260%0.597SS.*  trans-60.4126.3178.725-32.8000109.3E133 A134P128-E133 HydrophobicContact CB-CB 3.97Å; P128-A134 HydrophobicContact CB-CB 4.29Å
129V87.8Confident77.4Confident136 Ų136104.4 Ų104.482%0.82459%0.591SS**  trans-97.5-36.3179.8-177.60000110.4K127 E133K127-V129 PolarHBondContact O-N 2.9Å; V129-E133 PolarHBondContact N-OE2 3.28Å
130N91.8Very high78.8Confident97 Ų97102.9 Ų102.952%0.51958%0.578SS.*SBendtrans-102.7156.3-177.7-1649.6000112.6F132 E133 A134N130-F132 VanDerWaalsContact C-N 3.34Å; N130-F132 PolarHBondContact O-N 3.29Å; N130-E133 HydrophobicContact CB-CB 4.33Å; N130-E133 HydrophobicContact CB-CG 4.03Å; N130-E133 PolarHBondContact N-OE2 2.98Å; N130-E133 WeakPolarHBondContact O-CB 3.32Å; N130-E133 PolarHBondContact O-N 3.06Å; N130-A134 PolarHBondContact O-N 3.04Å
131E94.8Very high80.3Confident158 Ų158101.9 Ų101.974%0.73857%0.566SS**Hα-helixtrans-58.3-45.9175.7-67.2179.6173.400111.2E133 A134 E135E131-E133 VanDerWaalsContact C-N 3.28Å; E131-E133 PolarHBondContact O-N 3.14Å; E131-A134 WeakPolarHBondContact O-CA 3.19Å; E131-A134 WeakPolarHBondContact O-CB 3.43Å; E131-A134 PolarHBondContact O-N 2.98Å; E131-E135 PolarHBondContact O-N 3.28Å
132F91.9Very high81.7Confident135 Ų135105.4 Ų105.459%0.59256%0.564SS**Hα-helixtrans-58.3-39.1173.8176.5-103.5000112.6N130 A134 E135 V136N130-F132 VanDerWaalsContact C-N 3.34Å; N130-F132 PolarHBondContact O-N 3.29Å; F132-A134 VanDerWaalsContact C-N 3.31Å; F132-E135 PolarHBondContact O-N 2.87Å; F132-V136 HydrophobicContact CD1-CG2 4.25Å; F132-V136 HydrophobicContact CD2-CG2 4.33Å; F132-V136 HydrophobicContact CE1-CG2 3.82Å; F132-V136 HydrophobicContact CE2-CG2 3.91Å; F132-V136 HydrophobicContact CZ-CG2 3.63Å; F132-V136 WeakPolarHBondContact O-CB 3.36Å; F132-V136 VanDerWaalsContact O-CG2 3.22Å; F132-V136 WeakPolarHBondContact O-CG2 3.38Å; F132-V136 PolarHBondContact O-N 3.13Å
133E91.8Very high83.3Confident90 Ų90105.4 Ų105.442%0.42156%0.558SS.*Hα-helixtrans-69.5-32.4176.4-67.6175173.600111.5P128 V129 N130 E131 A137P128-E133 HydrophobicContact CB-CB 3.97Å; V129-E133 PolarHBondContact N-OE2 3.28Å; N130-E133 HydrophobicContact CB-CB 4.33Å; N130-E133 HydrophobicContact CB-CG 4.03Å; N130-E133 PolarHBondContact N-OE2 2.98Å; N130-E133 WeakPolarHBondContact O-CB 3.32Å; N130-E133 PolarHBondContact O-N 3.06Å; E131-E133 VanDerWaalsContact C-N 3.28Å; E131-E133 PolarHBondContact O-N 3.14Å; E133-A137 WeakPolarHBondContact O-CB 3.24Å; E133-A137 PolarHBondContact O-N 3.13Å
134A92.3Very high84.6Confident39 Ų39104 Ų10432%0.32254%0.543SS..Hα-helixtrans-67.6-44.5174.200000111.4P128 N130 E131 F132 A137 E138P128-A134 HydrophobicContact CB-CB 4.29Å; N130-A134 PolarHBondContact O-N 3.04Å; E131-A134 WeakPolarHBondContact O-CA 3.19Å; E131-A134 WeakPolarHBondContact O-CB 3.43Å; E131-A134 PolarHBondContact O-N 2.98Å; F132-A134 VanDerWaalsContact C-N 3.31Å; A134-A137 PolarHBondContact O-N 2.77Å; A134-E138 WeakPolarHBondContact O-CB 3.42Å; A134-E138 PolarHBondContact O-N 3.27Å
135E92.9Very high85.4Confident124 Ų12499 Ų9958%0.57952%0.52SS*.Hα-helixtrans-61.4-46.5174.2-71176.9-176.400111.4E131 F132 A137 E138 A139E131-E135 PolarHBondContact O-N 3.28Å; F132-E135 PolarHBondContact O-N 2.87Å; E135-A137 VanDerWaalsContact C-N 3.35Å; E135-A137 PolarHBondContact O-N 3.04Å; E135-E138 PolarHBondContact O-N 2.71Å; E135-A139 WeakPolarHBondContact O-CB 3.3Å; E135-A139 PolarHBondContact O-N 2.65Å
136V89.9Confident85.9Confident58 Ų5895.2 Ų95.235%0.35250%0.495SS..Hα-helixtrans-63-42.8176.4170.50000110.9F132 E138 A139 L140F132-V136 HydrophobicContact CD1-CG2 4.25Å; F132-V136 HydrophobicContact CD2-CG2 4.33Å; F132-V136 HydrophobicContact CE1-CG2 3.82Å; F132-V136 HydrophobicContact CE2-CG2 3.91Å; F132-V136 HydrophobicContact CZ-CG2 3.63Å; F132-V136 WeakPolarHBondContact O-CB 3.36Å; F132-V136 VanDerWaalsContact O-CG2 3.22Å; F132-V136 WeakPolarHBondContact O-CG2 3.38Å; F132-V136 PolarHBondContact O-N 3.13Å; V136-E138 VanDerWaalsContact C-N 3.29Å; V136-E138 PolarHBondContact O-N 2.99Å; V136-A139 PolarHBondContact O-N 3.19Å; V136-L140 HydrophobicContact CG1-CD1 3.91Å; V136-L140 HydrophobicContact CG1-CG 4.41Å; V136-L140 WeakPolarHBondContact O-CB 3.28Å; V136-L140 VanDerWaalsContact O-CG 3.23Å; V136-L140 WeakPolarHBondContact O-CG 3.31Å; V136-L140 PolarHBondContact O-N 2.98Å
137A87.5Confident86.1Confident27 Ų2794.1 Ų94.122%0.22348%0.483CS..Hα-helixtrans-67.5-29.1176.900000112.7E133 A134 E135 R141E133-A137 WeakPolarHBondContact O-CB 3.24Å; E133-A137 PolarHBondContact O-N 3.13Å; A134-A137 PolarHBondContact O-N 2.77Å; E135-A137 VanDerWaalsContact C-N 3.35Å; E135-A137 PolarHBondContact O-N 3.04Å; A137-R141 WeakPolarHBondContact O-CB 3.28Å; A137-R141 VanDerWaalsContact O-CG 3.31Å; A137-R141 WeakPolarHBondContact O-CG 3.22Å; A137-R141 PolarHBondContact O-N 3.2Å; A137-R141 PolarHBondContact O-NE 3.23Å
138E89.8Confident85.5Confident99 Ų9990.9 Ų90.946%0.46347%0.474SS..Hα-helixtrans-72.7-50173.4-176.1165.6-151.300110.8A134 E135 V136 L140 R141 E142A134-E138 WeakPolarHBondContact O-CB 3.42Å; A134-E138 PolarHBondContact O-N 3.27Å; E135-E138 PolarHBondContact O-N 2.71Å; V136-E138 VanDerWaalsContact C-N 3.29Å; V136-E138 PolarHBondContact O-N 2.99Å; E138-L140 VanDerWaalsContact C-N 3.27Å; E138-L140 PolarHBondContact O-N 3.13Å; E138-R141 CarbonylContact O-C 3.58Å; E138-R141 WeakPolarHBondContact O-CA 3.33Å; E138-R141 WeakPolarHBondContact O-CB 3.31Å; E138-R141 PolarHBondContact O-N 3.35Å; E138-E142 WeakPolarHBondContact O-CG 3.47Å; E138-E142 PolarHBondContact O-N 3.43Å
139A88.2Confident84.6Confident48 Ų4896.3 Ų96.340%0.39750%0.499SS..Hα-helixtrans-57.4-39.9174.800000112.2E135 V136 R141 E142 T143E135-A139 WeakPolarHBondContact O-CB 3.3Å; E135-A139 PolarHBondContact O-N 2.65Å; V136-A139 PolarHBondContact O-N 3.19Å; A139-R141 VanDerWaalsContact C-N 3.35Å; A139-E142 PolarHBondContact O-N 2.83Å; A139-T143 WeakPolarHBondContact O-CB 3.17Å; A139-T143 PolarHBondContact O-N 2.73Å; A139-T143 VanDerWaalsContact O-N 3.1Å; A139-T143 PolarHBondContact O-OG1 3.34Å
140L83.8Confident83.7Confident96 Ų9698.6 Ų98.650%0.50350%0.501SS..Hα-helixtrans-67.9-31.7174.4-74171.2000112.8V136 E138 N146V136-L140 HydrophobicContact CG1-CD1 3.91Å; V136-L140 HydrophobicContact CG1-CG 4.41Å; V136-L140 WeakPolarHBondContact O-CB 3.28Å; V136-L140 VanDerWaalsContact O-CG 3.23Å; V136-L140 WeakPolarHBondContact O-CG 3.31Å; V136-L140 PolarHBondContact O-N 2.98Å; E138-L140 VanDerWaalsContact C-N 3.27Å; E138-L140 PolarHBondContact O-N 3.13Å; L140-N146 WeakPolarHBondContact CA-ND2 3.23Å; L140-N146 WeakPolarHBondContact CD2-ND2 3.31Å; L140-N146 PolarHBondContact O-ND2 3.3Å
141R82.7Confident82.6Confident174 Ų17496.1 Ų96.166%0.65749%0.49SS*.Hα-helixtrans-73.9-34.9174.4-84.2178.8-86134.1-6.7112.5A137 E138 A139A137-R141 WeakPolarHBondContact O-CB 3.28Å; A137-R141 VanDerWaalsContact O-CG 3.31Å; A137-R141 WeakPolarHBondContact O-CG 3.22Å; A137-R141 PolarHBondContact O-N 3.2Å; A137-R141 PolarHBondContact O-NE 3.23Å; E138-R141 CarbonylContact O-C 3.58Å; E138-R141 WeakPolarHBondContact O-CA 3.33Å; E138-R141 WeakPolarHBondContact O-CB 3.31Å; E138-R141 PolarHBondContact O-N 3.35Å; A139-R141 VanDerWaalsContact C-N 3.35Å
142E84.9Confident81.4Confident142 Ų14293 Ų9366%0.66448%0.478SS*.Hα-helixtrans-72.8-30.1178.1-70-179170.400112.7E138 A139 K144E138-E142 WeakPolarHBondContact O-CG 3.47Å; E138-E142 PolarHBondContact O-N 3.43Å; A139-E142 PolarHBondContact O-N 2.83Å; E142-K144 PolarHBondContact O-N 2.8Å; E142-K144 VanDerWaalsContact O-N 3.15Å
143T84.4Confident81Confident59 Ų5987.2 Ų87.236%0.36245%0.454SS..  trans-78.1102.9-176.3-52.80000111.1A139 S145 N146A139-T143 WeakPolarHBondContact O-CB 3.17Å; A139-T143 PolarHBondContact O-N 2.73Å; A139-T143 VanDerWaalsContact O-N 3.1Å; A139-T143 PolarHBondContact O-OG1 3.34Å; T143-S145 PolarHBondContact O-N 3.04Å; T143-S145 VanDerWaalsContact O-N 3.11Å; T143-N146 WeakPolarHBondContact CB-ND2 3.35Å; T143-N146 PolarHBondContact O-N 3.29Å; T143-N146 PolarHBondContact O-ND2 3.4Å
144K81.4Confident80.7Confident81 Ų8183.2 Ų83.235%0.35244%0.436SS..THydrogen-bonded Turntrans-63.7-13.3177.3-65.8-175-178.9-170.80114.9E142 N146 T154 E155 E156 E159E142-K144 PolarHBondContact O-N 2.8Å; E142-K144 VanDerWaalsContact O-N 3.15Å; K144-N146 VanDerWaalsContact C-N 3.35Å; K144-T154 WeakPolarHBondContact O-CB 3.31Å; K144-E155 HydrophobicContact CB-CB 3.97Å; K144-E155 HydrophobicContact CG-CB 4.32Å; K144-E155 PolarHBondContact O-N 3.4Å; K144-E156 HydrophobicContact CB-CG 3.62Å; K144-E156 WeakPolarHBondContact CB-OE1 3.42Å; K144-E156 HydrophobicContact CD-CG 4.3Å; K144-E156 PolarHBondContact O-N 2.86Å; K144-E159 IonicContact NZ-OE1 3.83Å; K144-E159 PolarHBondContact NZ-OE1 3.39Å; K144-E159 IonicContact NZ-OE2 2.88Å; K144-E159 PolarHBondContact NZ-OE2 2.81Å
145S78.1Confident80.3Confident42 Ų4286.5 Ų86.529%0.29444%0.444SS..THydrogen-bonded Turntrans-82.9-1.7178.6-1800000114.1T143 T154 E156T143-S145 PolarHBondContact O-N 3.04Å; T143-S145 VanDerWaalsContact O-N 3.11Å; S145-T154 WeakPolarHBondContact O-CG2 3.47Å; S145-E156 PolarHBondContact N-OE1 3.17Å
146N74.1Confident79.9Confident44 Ų4484.6 Ų84.624%0.23544%0.435CS..  trans-76.5137.6-177.7-71.5-29.7000112.6L140 T143 K144L140-N146 WeakPolarHBondContact CA-ND2 3.23Å; L140-N146 WeakPolarHBondContact CD2-ND2 3.31Å; L140-N146 PolarHBondContact O-ND2 3.3Å; T143-N146 WeakPolarHBondContact CB-ND2 3.35Å; T143-N146 PolarHBondContact O-N 3.29Å; T143-N146 PolarHBondContact O-ND2 3.4Å; K144-N146 VanDerWaalsContact C-N 3.35Å
147L71.5Confident79.8Confident84 Ų8483.3 Ų83.344%0.4443%0.425SS..  trans-109.2102.9179.5-167.975.3000109.8C151 T154L147-C151 WeakPolarHBondContact CD1-O 3.49Å; L147-T154 HydrophobicContact CB-CG2 4.31Å; L147-T154 HydrophobicContact CD1-CG2 4.12Å
148D68.8Low79.7Confident107 Ų10786 Ų8657%0.57243%0.432SS*.  trans-77.4159.5171.7-62.7-32.9000111.5E150 C151D148-E150 PolarHBondContact O-N 3.28Å; D148-C151 HydrophobicContact CB-CB 4.39Å; D148-C151 PolarHBondContact O-N 2.82Å; D148-C151 VanDerWaalsContact O-N 3.11Å
149N69.3Low79.7Confident183 Ų18386 Ų8698%0.97943%0.432SS*.SBendtrans-58.8-22.5177.4-68.3-37.2000113.5
150E68Low79.6Confident184 Ų18489 Ų8986%0.8644%0.441SS*.SBendtrans-90.1-31.6178.6-59.4-174.4175.300112.8D148D148-E150 PolarHBondContact O-N 3.28Å
151C67.7Low79.8Confident44 Ų4485.5 Ų85.530%0.29742%0.423SS..  trans-87.7114.9-175.6-76.60000110L147 D148 V153L147-C151 WeakPolarHBondContact CD1-O 3.49Å; D148-C151 HydrophobicContact CB-CB 4.39Å; D148-C151 PolarHBondContact O-N 2.82Å; D148-C151 VanDerWaalsContact O-N 3.11Å; C151-V153 PolarHBondContact O-N 2.76Å
152I71.7Confident80.1Confident94 Ų9485 Ų8548%0.48243%0.428SS..SBendtrans-73.7-21.8177.3-53.1167.7000111.7R177 R180I152-R177 HydrophobicContact CG2-CG 3.94Å; I152-R180 PolarHBondContact O-NH1 3.44Å
153V81.5Confident80.4Confident13 Ų1382.6 Ų82.68%0.07943%0.432CS..SBendtrans-140134.4-170-175.90000107.9C151 E157 K158 L161 L173C151-V153 PolarHBondContact O-N 2.76Å; V153-E157 WeakPolarHBondContact CA-OE2 3.38Å; V153-E157 HydrophobicContact CG1-CB 3.28Å; V153-E157 HydrophobicContact CG1-CG 4.38Å; V153-E157 WeakPolarHBondContact CG1-OE2 3.28Å; V153-K158 HydrophobicContact CB-CG 4.2Å; V153-K158 HydrophobicContact CG1-CG 3.87Å; V153-K158 VanDerWaalsContact O-CE 3.26Å; V153-K158 WeakPolarHBondContact O-CE 3.33Å; V153-L161 HydrophobicContact CG1-CD1 3.89Å; V153-L173 HydrophobicContact CG2-CD1 4.14Å; V153-L173 HydrophobicContact CG2-CG 4.38Å
154T86.2Confident80.5Confident6 Ų683.7 Ų83.74%0.03743%0.434CS..  trans-68.5163.4177.564.30000110.6K144 S145 L147 E157 K158K144-T154 WeakPolarHBondContact O-CB 3.31Å; S145-T154 WeakPolarHBondContact O-CG2 3.47Å; L147-T154 HydrophobicContact CB-CG2 4.31Å; L147-T154 HydrophobicContact CD1-CG2 4.12Å; T154-E157 PolarHBondContact N-OE2 2.68Å; T154-E157 PolarHBondContact O-N 2.86Å; T154-E157 WeakPolarHBondContact OG1-CB 3.49Å; T154-E157 WeakPolarHBondContact OG1-CG 3.46Å; T154-E157 PolarHBondContact OG1-N 3.09Å; T154-E157 PolarHBondContact OG1-OE2 2.99Å; T154-K158 WeakPolarHBondContact O-CG 3.08Å; T154-K158 PolarHBondContact O-N 3.03Å
155E84.4Confident81Confident107 Ų10785.9 Ų85.950%0.544%0.443SS..Hα-helixtrans-66.2-39.9-179-63.1-173.4160.700111.9K144 E157 K158 E159K144-E155 HydrophobicContact CB-CB 3.97Å; K144-E155 HydrophobicContact CG-CB 4.32Å; K144-E155 PolarHBondContact O-N 3.4Å; E155-E157 VanDerWaalsContact C-N 3.35Å; E155-E157 PolarHBondContact O-N 3.21Å; E155-K158 WeakPolarHBondContact O-CB 3.45Å; E155-K158 PolarHBondContact O-N 3.48Å; E155-K158 VanDerWaalsContact O-N 3.15Å; E155-E159 WeakPolarHBondContact O-CG 3.45Å; E155-E159 PolarHBondContact O-N 3.41Å
156E85Confident81.5Confident85 Ų8589.4 Ų89.440%0.39746%0.459SS..Hα-helixtrans-57.8-45.1171.2-81.4164.6-148.900112.2K144 S145 K158 E159 L160K144-E156 HydrophobicContact CB-CG 3.62Å; K144-E156 WeakPolarHBondContact CB-OE1 3.42Å; K144-E156 HydrophobicContact CD-CG 4.3Å; K144-E156 PolarHBondContact O-N 2.86Å; S145-E156 PolarHBondContact N-OE1 3.17Å; E156-K158 VanDerWaalsContact C-N 3.31Å; E156-K158 PolarHBondContact O-N 3.38Å; E156-E159 PolarHBondContact O-N 3.06Å; E156-L160 WeakPolarHBondContact O-CG 3.1Å; E156-L160 PolarHBondContact O-N 3.05Å
157E86.6Confident82.2Confident30 Ų3093.4 Ų93.414%0.1448%0.476CS..Hα-helixtrans-65.4-36.5176.7-74.1168170.900111.5V153 T154 E155 L160 L161 L176 R180V153-E157 WeakPolarHBondContact CA-OE2 3.38Å; V153-E157 HydrophobicContact CG1-CB 3.28Å; V153-E157 HydrophobicContact CG1-CG 4.38Å; V153-E157 WeakPolarHBondContact CG1-OE2 3.28Å; T154-E157 PolarHBondContact N-OE2 2.68Å; T154-E157 PolarHBondContact O-N 2.86Å; T154-E157 WeakPolarHBondContact OG1-CB 3.49Å; T154-E157 WeakPolarHBondContact OG1-CG 3.46Å; T154-E157 PolarHBondContact OG1-N 3.09Å; T154-E157 PolarHBondContact OG1-OE2 2.99Å; E155-E157 VanDerWaalsContact C-N 3.35Å; E155-E157 PolarHBondContact O-N 3.21Å; E157-L160 PolarHBondContact O-N 2.86Å; E157-L161 WeakPolarHBondContact O-CB 3.19Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 3.35Å; E157-L176 HydrophobicContact CG-CD1 4.28Å; E157-R180 IonicContact OE1-CZ 3.06Å; E157-R180 IonicContact OE1-NH1 3.69Å; E157-R180 IonicContact OE1-NH2 3.52Å; E157-R180 PolarHBondContact OE1-NH2 3.4Å; E157-R180 IonicContact OE2-CZ 3.32Å; E157-R180 VanDerWaalsContact OE2-CZ 3.3Å; E157-R180 IonicContact OE2-NH1 3.19Å; E157-R180 PolarHBondContact OE2-NH1 2.75Å; E157-R180 IonicContact OE2-NH2 2.59Å; E157-R180 PolarHBondContact OE2-NH2 2.91Å
158K86.4Confident83.2Confident84 Ų8494.7 Ų94.737%0.36548%0.48SS..Hα-helixtrans-63-44.4174.1-71.7169.9-170161.40111V153 T154 E155 E156 L161 Q162V153-K158 HydrophobicContact CB-CG 4.2Å; V153-K158 HydrophobicContact CG1-CG 3.87Å; V153-K158 VanDerWaalsContact O-CE 3.26Å; V153-K158 WeakPolarHBondContact O-CE 3.33Å; T154-K158 WeakPolarHBondContact O-CG 3.08Å; T154-K158 PolarHBondContact O-N 3.03Å; E155-K158 WeakPolarHBondContact O-CB 3.45Å; E155-K158 PolarHBondContact O-N 3.48Å; E155-K158 VanDerWaalsContact O-N 3.15Å; E156-K158 VanDerWaalsContact C-N 3.31Å; E156-K158 PolarHBondContact O-N 3.38Å; K158-L161 PolarHBondContact O-N 3.22Å; K158-Q162 WeakPolarHBondContact O-CG 3.34Å; K158-Q162 PolarHBondContact O-N 3.45Å
159E88.5Confident84.2Confident99 Ų9990.4 Ų90.446%0.46346%0.459SS..Hα-helixtrans-60-44.8176.4-72.1176.6-177.900111K144 E155 E156 Q162 A163K144-E159 IonicContact NZ-OE1 3.83Å; K144-E159 PolarHBondContact NZ-OE1 3.39Å; K144-E159 IonicContact NZ-OE2 2.88Å; K144-E159 PolarHBondContact NZ-OE2 2.81Å; E155-E159 WeakPolarHBondContact O-CG 3.45Å; E155-E159 PolarHBondContact O-N 3.41Å; E156-E159 PolarHBondContact O-N 3.06Å; E159-Q162 PolarHBondContact O-N 3.38Å; E159-A163 PolarHBondContact O-N 2.93Å
160L87.4Confident85.1Confident110 Ų11088 Ų8858%0.57644%0.44SS*.Hα-helixtrans-63-42.9175.3-70.5171.7000112.5E156 E157 Q162 A163 M164E156-L160 WeakPolarHBondContact O-CG 3.1Å; E156-L160 PolarHBondContact O-N 3.05Å; E157-L160 PolarHBondContact O-N 2.86Å; L160-Q162 VanDerWaalsContact C-N 3.31Å; L160-Q162 PolarHBondContact O-N 2.81Å; L160-A163 PolarHBondContact O-N 3.2Å; L160-M164 WeakPolarHBondContact O-CG 3.14Å; L160-M164 PolarHBondContact O-N 3.47Å
161L87.9Confident86.2Confident24 Ų2481.1 Ų81.113%0.12641%0.414CS..Hα-helixtrans-66.2-31.8177.9-72.2172.8000112.6V153 E157 K158 A163 M164 A169 V172 L173V153-L161 HydrophobicContact CG1-CD1 3.89Å; E157-L161 WeakPolarHBondContact O-CB 3.19Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 3.35Å; K158-L161 PolarHBondContact O-N 3.22Å; L161-A163 VanDerWaalsContact C-N 3.35Å; L161-M164 PolarHBondContact O-N 3.03Å; L161-A169 HydrophobicContact CB-CB 4.48Å; L161-A169 HydrophobicContact CD2-CB 4.05Å; L161-A169 WeakPolarHBondContact CD2-O 3.14Å; L161-V172 HydrophobicContact CD2-CB 3.87Å; L161-V172 HydrophobicContact CD2-CG1 3.8Å; L161-L173 HydrophobicContact CD1-CB 4.33Å; L161-L173 HydrophobicContact CD1-CD1 4.21Å; L161-L173 HydrophobicContact CD2-CB 4.49Å
162Q89.1Confident87Confident163 Ų16380.7 Ų80.776%0.76241%0.41SS*.Hα-helixtrans-69.5-31.7176-76.2177.810.900112.7K158 E159 L160 M164K158-Q162 WeakPolarHBondContact O-CG 3.34Å; K158-Q162 PolarHBondContact O-N 3.45Å; E159-Q162 PolarHBondContact O-N 3.38Å; L160-Q162 VanDerWaalsContact C-N 3.31Å; L160-Q162 PolarHBondContact O-N 2.81Å; Q162-M164 VanDerWaalsContact C-N 3.29Å; Q162-M164 PolarHBondContact O-N 2.7Å
163A91.6Very high87.8Confident91 Ų9178.1 Ų78.175%0.75240%0.398SS*.Hα-helixtrans-74.2-18.5177.100000113.4E159 L160 L161E159-A163 PolarHBondContact O-N 2.93Å; L160-A163 PolarHBondContact O-N 3.2Å; L161-A163 VanDerWaalsContact C-N 3.35Å
164M85.7Confident88.1Confident82 Ų8282.2 Ų82.240%0.40442%0.419SS..SBendtrans-89.1162.8-177-67.9178.2-178.600113.2L160 L161 Q162 A169 V172L160-M164 WeakPolarHBondContact O-CG 3.14Å; L160-M164 PolarHBondContact O-N 3.47Å; L161-M164 PolarHBondContact O-N 3.03Å; Q162-M164 VanDerWaalsContact C-N 3.29Å; Q162-M164 PolarHBondContact O-N 2.7Å; M164-A169 HydrophobicContact CB-CB 4.34Å; M164-V172 HydrophobicContact SD-CG2 3.96Å
165K91.6Very high88.1Confident127 Ų12790.6 Ų90.655%0.55245%0.45SS*.  trans-65.9146.6170.4-169-175.1178.9-151.90110.1E167 E168 A169K165-E167 VanDerWaalsContact C-N 3.28Å; K165-E167 IonicContact NZ-OE2 3.92Å; K165-E167 PolarHBondContact NZ-OE2 3.3Å; K165-E167 PolarHBondContact O-N 3.45Å; K165-E167 VanDerWaalsContact O-N 3.12Å; K165-E168 HydrophobicContact CB-CG 4.39Å; K165-E168 PolarHBondContact O-N 2.98Å; K165-A169 WeakPolarHBondContact O-CB 3.24Å; K165-A169 PolarHBondContact O-N 3.32Å
166L87.7Confident88.2Confident117 Ų11786.8 Ų86.861%0.61343%0.433SS*.Hα-helixtrans-51.8-39.4-176.5-177.7150.7000114.6K170L166-K170 HydrophobicContact CD2-CD 4.01Å; L166-K170 WeakPolarHBondContact O-CG 3.39Å; L166-K170 PolarHBondContact O-N 3.38Å; L166-K170 VanDerWaalsContact O-N 3.15Å
167E90.5Very high88.1Confident127 Ų12788.3 Ų88.359%0.59344%0.435SS*.Hα-helixtrans-68.7-44178.8-67.3172.4156.500111.9K165 K170 A171K165-E167 VanDerWaalsContact C-N 3.28Å; K165-E167 IonicContact NZ-OE2 3.92Å; K165-E167 PolarHBondContact NZ-OE2 3.3Å; K165-E167 PolarHBondContact O-N 3.45Å; K165-E167 VanDerWaalsContact O-N 3.12Å; E167-K170 PolarHBondContact O-N 3.36Å; E167-A171 PolarHBondContact O-N 2.93Å; E167-A171 VanDerWaalsContact O-N 3.09Å
168E90.9Very high88Confident112 Ų11292.5 Ų92.552%0.52345%0.454SS..Hα-helixtrans-67.2-43.2178.1-65.6173.7171.800110.6K165 K170 A171 V172K165-E168 HydrophobicContact CB-CG 4.39Å; K165-E168 PolarHBondContact O-N 2.98Å; E168-K170 VanDerWaalsContact C-N 3.32Å; E168-K170 PolarHBondContact O-N 2.66Å; E168-A171 WeakPolarHBondContact O-CB 3.11Å; E168-A171 PolarHBondContact O-N 3.06Å; E168-A171 VanDerWaalsContact O-N 3.08Å; E168-V172 WeakPolarHBondContact O-CG2 3.29Å; E168-V172 PolarHBondContact O-N 2.73Å
169A90.2Very high87.9Confident17 Ų1792.8 Ų92.814%0.1446%0.456CS..Hα-helixtrans-58-43175.800000111.8L161 M164 K165 L173L161-A169 HydrophobicContact CB-CB 4.48Å; L161-A169 HydrophobicContact CD2-CB 4.05Å; L161-A169 WeakPolarHBondContact CD2-O 3.14Å; M164-A169 HydrophobicContact CB-CB 4.34Å; K165-A169 WeakPolarHBondContact O-CB 3.24Å; K165-A169 PolarHBondContact O-N 3.32Å; A169-L173 VanDerWaalsContact O-CB 3.28Å; A169-L173 WeakPolarHBondContact O-CB 3.43Å; A169-L173 PolarHBondContact O-N 3Å
170K88.8Confident87.6Confident131 Ų13191 Ų9157%0.5745%0.445SS*.Hα-helixtrans-62.8-42.3174-76.6177.3179.1178.70112.2L166 E167 E168 N174L166-K170 HydrophobicContact CD2-CD 4.01Å; L166-K170 WeakPolarHBondContact O-CG 3.39Å; L166-K170 PolarHBondContact O-N 3.38Å; L166-K170 VanDerWaalsContact O-N 3.15Å; E167-K170 PolarHBondContact O-N 3.36Å; E168-K170 VanDerWaalsContact C-N 3.32Å; E168-K170 PolarHBondContact O-N 2.66Å; K170-N174 WeakPolarHBondContact O-CB 3.35Å; K170-N174 VanDerWaalsContact O-CG 3.29Å; K170-N174 PolarHBondContact O-N 3.06Å; K170-N174 PolarHBondContact O-ND2 3.08Å
171A90.5Very high87.4Confident40 Ų4087.8 Ų87.833%0.33143%0.434SS..Hα-helixtrans-65.8-44.2179.100000111.9E167 E168 N174 R175E167-A171 PolarHBondContact O-N 2.93Å; E167-A171 VanDerWaalsContact O-N 3.09Å; E168-A171 WeakPolarHBondContact O-CB 3.11Å; E168-A171 PolarHBondContact O-N 3.06Å; E168-A171 VanDerWaalsContact O-N 3.08Å; A171-N174 PolarHBondContact O-N 3.41Å; A171-R175 VanDerWaalsContact O-CG 3.31Å; A171-R175 WeakPolarHBondContact O-CG 3.46Å; A171-R175 PolarHBondContact O-N 3.03Å
172V86Confident87.2Confident35 Ų3590.1 Ų90.121%0.21245%0.446CS..Hα-helixtrans-62.5-46.4176.8172.90000110.7L161 M164 E168 N174 R175 L176L161-V172 HydrophobicContact CD2-CB 3.87Å; L161-V172 HydrophobicContact CD2-CG1 3.8Å; M164-V172 HydrophobicContact SD-CG2 3.96Å; E168-V172 WeakPolarHBondContact O-CG2 3.29Å; E168-V172 PolarHBondContact O-N 2.73Å; V172-N174 VanDerWaalsContact C-N 3.34Å; V172-N174 PolarHBondContact O-N 3.09Å; V172-R175 WeakPolarHBondContact O-CB 3.4Å; V172-R175 PolarHBondContact O-N 3.12Å; V172-R175 VanDerWaalsContact O-N 3.14Å; V172-L176 HydrophobicContact CG1-CD1 3.99Å; V172-L176 HydrophobicContact CG1-CG 4.3Å; V172-L176 WeakPolarHBondContact O-CG 3.31Å; V172-L176 PolarHBondContact O-N 3.39Å
173L87.9Confident87Confident41 Ų4184 Ų8422%0.21542%0.423CS..Hα-helixtrans-61.5-40.8177.9-177.5155.6000112.3V153 L161 A169 L176 R177V153-L173 HydrophobicContact CG2-CD1 4.14Å; V153-L173 HydrophobicContact CG2-CG 4.38Å; L161-L173 HydrophobicContact CD1-CB 4.33Å; L161-L173 HydrophobicContact CD1-CD1 4.21Å; L161-L173 HydrophobicContact CD2-CB 4.49Å; A169-L173 VanDerWaalsContact O-CB 3.28Å; A169-L173 WeakPolarHBondContact O-CB 3.43Å; A169-L173 PolarHBondContact O-N 3Å; L173-L176 PolarHBondContact O-N 2.78Å; L173-R177 HydrophobicContact CD2-CG 4.3Å; L173-R177 VanDerWaalsContact CD2-NE 3.31Å; L173-R177 WeakPolarHBondContact O-CG 3.28Å; L173-R177 PolarHBondContact O-N 2.85Å
174N87.2Confident86.4Confident99 Ų9983.3 Ų83.353%0.52941%0.413SS..Hα-helixtrans-63.2-41.9174.3-75.1-19.6000111.9K170 A171 V172 H178K170-N174 WeakPolarHBondContact O-CB 3.35Å; K170-N174 VanDerWaalsContact O-CG 3.29Å; K170-N174 PolarHBondContact O-N 3.06Å; K170-N174 PolarHBondContact O-ND2 3.08Å; A171-N174 PolarHBondContact O-N 3.41Å; V172-N174 VanDerWaalsContact C-N 3.34Å; V172-N174 PolarHBondContact O-N 3.09Å; N174-H178 WeakPolarHBondContact O-CB 3.4Å; N174-H178 PolarHBondContact O-N 3.04Å
175R86.1Confident86.2Confident181 Ų18187.6 Ų87.668%0.68343%0.426SS*.Hα-helixtrans-62.9-45.4175.1-70.9172.9-172.9174.62.9111.7A171 V172 H178 F179A171-R175 VanDerWaalsContact O-CG 3.31Å; A171-R175 WeakPolarHBondContact O-CG 3.46Å; A171-R175 PolarHBondContact O-N 3.03Å; V172-R175 WeakPolarHBondContact O-CB 3.4Å; V172-R175 PolarHBondContact O-N 3.12Å; V172-R175 VanDerWaalsContact O-N 3.14Å; R175-H178 PolarHBondContact O-N 3.12Å; R175-F179 WeakPolarHBondContact O-CB 3.31Å; R175-F179 PolarHBondContact O-N 2.85Å
176L86.5Confident86Confident27 Ų2787.1 Ų87.114%0.14143%0.425CS..Hα-helixtrans-60.8-46.7177.7-74172.6000111.9E157 V172 L173 H178 F179 R180 L324E157-L176 HydrophobicContact CG-CD1 4.28Å; V172-L176 HydrophobicContact CG1-CD1 3.99Å; V172-L176 HydrophobicContact CG1-CG 4.3Å; V172-L176 WeakPolarHBondContact O-CG 3.31Å; V172-L176 PolarHBondContact O-N 3.39Å; L173-L176 PolarHBondContact O-N 2.78Å; L176-H178 VanDerWaalsContact C-N 3.34Å; L176-H178 PolarHBondContact O-N 3.15Å; L176-F179 PolarHBondContact O-N 3.22Å; L176-R180 WeakPolarHBondContact O-CB 3.37Å; L176-R180 WeakPolarHBondContact O-CG 3.43Å; L176-R180 PolarHBondContact O-N 3.2Å; L176-L324 HydrophobicContact CD2-CD1 4.44Å
177R83.3Confident85.8Confident117 Ų11785.1 Ų85.144%0.44242%0.416SS..Hα-helixtrans-59.1-45.6175.6-76.8-179.6179.6174.5-2.2111.8I152 L173 A181I152-R177 HydrophobicContact CG2-CG 3.94Å; L173-R177 HydrophobicContact CD2-CG 4.3Å; L173-R177 VanDerWaalsContact CD2-NE 3.31Å; L173-R177 WeakPolarHBondContact O-CG 3.28Å; L173-R177 PolarHBondContact O-N 2.85Å; R177-A181 WeakPolarHBondContact O-CB 3.33Å; R177-A181 PolarHBondContact O-N 2.85Å
178H83.6Confident85.7Confident119 Ų11981.8 Ų81.855%0.55141%0.41SS*.Hα-helixtrans-62.5-46.9178.9-17567.2000111.4N174 R175 L176 A181 L182N174-H178 WeakPolarHBondContact O-CB 3.4Å; N174-H178 PolarHBondContact O-N 3.04Å; R175-H178 PolarHBondContact O-N 3.12Å; L176-H178 VanDerWaalsContact C-N 3.34Å; L176-H178 PolarHBondContact O-N 3.15Å; H178-A181 PolarHBondContact O-N 3.49Å; H178-L182 WeakPolarHBondContact NE2-CD1 3.4Å; H178-L182 WeakPolarHBondContact O-CG 3.15Å; H178-L182 PolarHBondContact O-N 3.04Å
179F84.6Confident85.6Confident89 Ų8982.5 Ų82.539%0.3941%0.411SS..Hα-helixtrans-62-45.7178.8-174.8-89.9000112.4R175 L176 A181 L182 A183 L324R175-F179 WeakPolarHBondContact O-CB 3.31Å; R175-F179 PolarHBondContact O-N 2.85Å; L176-F179 PolarHBondContact O-N 3.22Å; F179-A181 PolarHBondContact O-N 3.26Å; F179-L182 PolarHBondContact O-N 2.83Å; F179-A183 WeakPolarHBondContact O-CB 3.42Å; F179-A183 PolarHBondContact O-N 2.84Å; F179-L324 HydrophobicContact CD1-CD1 3.83Å; F179-L324 HydrophobicContact CD1-CD2 4.17Å; F179-L324 HydrophobicContact CE1-CD1 3.82Å; F179-L324 HydrophobicContact CE1-CD2 3.37Å; F179-L324 HydrophobicContact CE1-CG 4.24Å; F179-L324 HydrophobicContact CZ-CD2 3.56Å
180R83.8Confident85.4Confident63 Ų6385.9 Ų85.924%0.23843%0.427CS..Hα-helixtrans-60.8-42.8176.8-77.6-177.2166.2135.310112.5I152 E157 L176 S184I152-R180 PolarHBondContact O-NH1 3.44Å; E157-R180 IonicContact OE1-CZ 3.06Å; E157-R180 IonicContact OE1-NH1 3.69Å; E157-R180 IonicContact OE1-NH2 3.52Å; E157-R180 PolarHBondContact OE1-NH2 3.4Å; E157-R180 IonicContact OE2-CZ 3.32Å; E157-R180 VanDerWaalsContact OE2-CZ 3.3Å; E157-R180 IonicContact OE2-NH1 3.19Å; E157-R180 PolarHBondContact OE2-NH1 2.75Å; E157-R180 IonicContact OE2-NH2 2.59Å; E157-R180 PolarHBondContact OE2-NH2 2.91Å; L176-R180 WeakPolarHBondContact O-CB 3.37Å; L176-R180 WeakPolarHBondContact O-CG 3.43Å; L176-R180 PolarHBondContact O-N 3.2Å; R180-S184 WeakPolarHBondContact O-CB 3.35Å; R180-S184 PolarHBondContact O-N 3.07Å
181A82Confident85.3Confident42 Ų4286.1 Ų86.135%0.34743%0.428SS..Hα-helixtrans-61.5-48.2175.500000110.9R177 H178 F179 A183 S184 Y185R177-A181 WeakPolarHBondContact O-CB 3.33Å; R177-A181 PolarHBondContact O-N 2.85Å; H178-A181 PolarHBondContact O-N 3.49Å; F179-A181 PolarHBondContact O-N 3.26Å; A181-A183 PolarHBondContact O-N 3.09Å; A181-S184 PolarHBondContact O-N 3.4Å; A181-Y185 HydrophobicContact CB-CD2 4.45Å; A181-Y185 HydrophobicContact CB-CE2 4.17Å; A181-Y185 WeakPolarHBondContact O-CD2 3.37Å; A181-Y185 PolarHBondContact O-N 3.01Å
182L84.6Confident85.2Confident73 Ų7392.7 Ų92.738%0.38244%0.444SS..Hα-helixtrans-59.1-46.6177.7-75.2178.2000112.6H178 F179 S184 Y185 Q186H178-L182 WeakPolarHBondContact NE2-CD1 3.4Å; H178-L182 WeakPolarHBondContact O-CG 3.15Å; H178-L182 PolarHBondContact O-N 3.04Å; F179-L182 PolarHBondContact O-N 2.83Å; L182-S184 PolarHBondContact O-N 3.33Å; L182-Y185 PolarHBondContact O-N 3.12Å; L182-Q186 WeakPolarHBondContact O-CB 3.33Å; L182-Q186 VanDerWaalsContact O-CG 3.29Å; L182-Q186 WeakPolarHBondContact O-CG 3.26Å; L182-Q186 PolarHBondContact O-N 2.76Å
183A84.9Confident85.1Confident34 Ų3494.1 Ų94.128%0.28145%0.449SS..Hα-helixtrans-59-47.6177.400000111.3F179 A181 Y185 Q186 D187F179-A183 WeakPolarHBondContact O-CB 3.42Å; F179-A183 PolarHBondContact O-N 2.84Å; A181-A183 PolarHBondContact O-N 3.09Å; A183-Y185 PolarHBondContact O-N 2.77Å; A183-Q186 PolarHBondContact O-N 3.47Å; A183-D187 WeakPolarHBondContact O-CB 3.42Å; A183-D187 PolarHBondContact O-N 3.06Å
184S78.1Confident84.8Confident76 Ų7695.7 Ų95.753%0.53146%0.463SS..Hα-helixtrans-60.1-44176.9179.10000112.8R180 A181 L182 D187 A188R180-S184 WeakPolarHBondContact O-CB 3.35Å; R180-S184 PolarHBondContact O-N 3.07Å; A181-S184 PolarHBondContact O-N 3.4Å; L182-S184 PolarHBondContact O-N 3.33Å; S184-D187 PolarHBondContact O-N 3.48Å; S184-A188 WeakPolarHBondContact O-CB 3.46Å; S184-A188 PolarHBondContact O-N 2.79Å
185Y82.6Confident85Confident173 Ų17398.8 Ų98.868%0.67847%0.471SS*.Hα-helixtrans-64-42175.9-73.2-57.7000112.3A181 L182 A183 A188 K189A181-Y185 HydrophobicContact CB-CD2 4.45Å; A181-Y185 HydrophobicContact CB-CE2 4.17Å; A181-Y185 WeakPolarHBondContact O-CD2 3.37Å; A181-Y185 PolarHBondContact O-N 3.01Å; L182-Y185 PolarHBondContact O-N 3.12Å; A183-Y185 PolarHBondContact O-N 2.77Å; Y185-A188 PolarHBondContact O-N 3.37Å; Y185-K189 WeakPolarHBondContact O-CB 3.48Å; Y185-K189 PolarHBondContact O-N 2.75Å
186Q86.7Confident85.1Confident116 Ų11692 Ų9254%0.54245%0.448SS..Hα-helixtrans-63.2-44.7176-73.4178.614.700111.2L182 A183 K189 N190L182-Q186 WeakPolarHBondContact O-CB 3.33Å; L182-Q186 VanDerWaalsContact O-CG 3.29Å; L182-Q186 WeakPolarHBondContact O-CG 3.26Å; L182-Q186 PolarHBondContact O-N 2.76Å; A183-Q186 PolarHBondContact O-N 3.47Å; Q186-K189 PolarHBondContact O-N 3.38Å; Q186-N190 WeakPolarHBondContact O-CB 3.33Å; Q186-N190 PolarHBondContact O-N 2.86Å; Q186-N190 PolarHBondContact O-ND2 3.18Å
187D83.3Confident85.3Confident76 Ų7698.5 Ų98.541%0.40648%0.475SS..Hα-helixtrans-61.5-46.8176.6-77-12.9000112.1A183 S184 K189 N190 K191A183-D187 WeakPolarHBondContact O-CB 3.42Å; A183-D187 PolarHBondContact O-N 3.06Å; S184-D187 PolarHBondContact O-N 3.48Å; D187-K189 VanDerWaalsContact C-N 3.34Å; D187-K189 PolarHBondContact O-N 3.49Å; D187-N190 PolarHBondContact O-N 2.99Å; D187-K191 WeakPolarHBondContact O-CB 3.47Å; D187-K191 VanDerWaalsContact O-CG 3.25Å; D187-K191 WeakPolarHBondContact O-CG 3.27Å; D187-K191 PolarHBondContact O-N 2.97Å
188A87.8Confident85.7Confident57 Ų5795.8 Ų95.847%0.47147%0.474SS..Hα-helixtrans-61.9-42176.300000111.6S184 Y185 R192S184-A188 WeakPolarHBondContact O-CB 3.46Å; S184-A188 PolarHBondContact O-N 2.79Å; Y185-A188 PolarHBondContact O-N 3.37Å; A188-R192 WeakPolarHBondContact O-CB 3.5Å; A188-R192 PolarHBondContact O-N 3.43Å
189K88.5Confident86Confident126 Ų12698.1 Ų98.155%0.54848%0.483SS..Hα-helixtrans-63.3-47.4176-175.9177.8179.7179.40111Y185 Q186 D187 R192 Q193Y185-K189 WeakPolarHBondContact O-CB 3.48Å; Y185-K189 PolarHBondContact O-N 2.75Å; Q186-K189 PolarHBondContact O-N 3.38Å; D187-K189 VanDerWaalsContact C-N 3.34Å; D187-K189 PolarHBondContact O-N 3.49Å; K189-R192 PolarHBondContact O-N 2.88Å; K189-Q193 HydrophobicContact CG-CG 4.44Å; K189-Q193 WeakPolarHBondContact O-CB 3.32Å; K189-Q193 VanDerWaalsContact O-CG 3.27Å; K189-Q193 WeakPolarHBondContact O-CG 3.34Å; K189-Q193 PolarHBondContact O-N 3.41Å
190N86.3Confident86.4Confident89 Ų89103.2 Ų103.248%0.47650%0.5SS..Hα-helixtrans-62.6-44.9178.5-70.9-17.3000111.5Q186 D187 R192 Q193 S194Q186-N190 WeakPolarHBondContact O-CB 3.33Å; Q186-N190 PolarHBondContact O-N 2.86Å; Q186-N190 PolarHBondContact O-ND2 3.18Å; D187-N190 PolarHBondContact O-N 2.99Å; N190-R192 VanDerWaalsContact C-N 3.34Å; N190-R192 PolarHBondContact O-N 3.49Å; N190-Q193 PolarHBondContact O-N 3.3Å; N190-S194 WeakPolarHBondContact O-CB 3.48Å; N190-S194 PolarHBondContact O-N 3.39Å; N190-S194 PolarHBondContact O-OG 3.23Å
191K88.3Confident86.8Confident135 Ų135102.7 Ų102.759%0.58750%0.498SS*.Hα-helixtrans-59.8-41.4173.6-74.6172-177.91720111.9D187 S194 K195D187-K191 WeakPolarHBondContact O-CB 3.47Å; D187-K191 VanDerWaalsContact O-CG 3.25Å; D187-K191 WeakPolarHBondContact O-CG 3.27Å; D187-K191 PolarHBondContact O-N 2.97Å; K191-S194 PolarHBondContact O-OG 3.25Å; K191-S194 VanDerWaalsContact O-OG 3.05Å; K191-K195 WeakPolarHBondContact O-CB 3.38Å; K191-K195 VanDerWaalsContact O-CG 3.24Å; K191-K195 WeakPolarHBondContact O-CG 3.41Å; K191-K195 PolarHBondContact O-N 3.49Å
192R86.4Confident87.1Confident179 Ų179104.1 Ų104.168%0.67550%0.497SS*.Hα-helixtrans-65.8-48.2175.1-178.3175.5176.1-99.72.9111.1A188 K189 N190 S194 K195 I196A188-R192 WeakPolarHBondContact O-CB 3.5Å; A188-R192 PolarHBondContact O-N 3.43Å; K189-R192 PolarHBondContact O-N 2.88Å; N190-R192 VanDerWaalsContact C-N 3.34Å; N190-R192 PolarHBondContact O-N 3.49Å; R192-S194 PolarHBondContact O-N 3.29Å; R192-K195 PolarHBondContact O-N 3.15Å; R192-I196 WeakPolarHBondContact O-CG1 2.96Å; R192-I196 PolarHBondContact O-N 3.05Å; R192-I196 VanDerWaalsContact O-N 3.07Å
193Q84.3Confident87.4Confident65 Ų65109.2 Ų109.230%0.30451%0.512SS..Hα-helixtrans-62-39.3-179-71.4-174-4.600112.7K189 N190 K195 I196 Y201K189-Q193 HydrophobicContact CG-CG 4.44Å; K189-Q193 WeakPolarHBondContact O-CB 3.32Å; K189-Q193 VanDerWaalsContact O-CG 3.27Å; K189-Q193 WeakPolarHBondContact O-CG 3.34Å; K189-Q193 PolarHBondContact O-N 3.41Å; N190-Q193 PolarHBondContact O-N 3.3Å; Q193-K195 VanDerWaalsContact C-N 3.32Å; Q193-K195 PolarHBondContact O-N 2.72Å; Q193-I196 PolarHBondContact O-N 3Å; Q193-Y201 VanDerWaalsContact CG-OH 3.23Å; Q193-Y201 WeakPolarHBondContact CG-OH 3.43Å
194S82.6Confident87.7Confident73 Ų73110.7 Ų110.751%0.5151%0.514SS..Hα-helixtrans-68.9-29.8176.571.70000113N190 K191 R192 K197N190-S194 WeakPolarHBondContact O-CB 3.48Å; N190-S194 PolarHBondContact O-N 3.39Å; N190-S194 PolarHBondContact O-OG 3.23Å; K191-S194 PolarHBondContact O-OG 3.25Å; K191-S194 VanDerWaalsContact O-OG 3.05Å; R192-S194 PolarHBondContact O-N 3.29Å; S194-K197 WeakPolarHBondContact O-CE 3.4Å; S194-K197 PolarHBondContact O-NZ 2.82Å
195K90.6Very high88.4Confident164 Ų164109.3 Ų109.371%0.71350%0.5SS*.Hα-helixtrans-76.4-23.1173.8-73.1176.7-177.8-175.30113.3K191 R192 Q193 K197K191-K195 WeakPolarHBondContact O-CB 3.38Å; K191-K195 VanDerWaalsContact O-CG 3.24Å; K191-K195 WeakPolarHBondContact O-CG 3.41Å; K191-K195 PolarHBondContact O-N 3.49Å; R192-K195 PolarHBondContact O-N 3.15Å; Q193-K195 VanDerWaalsContact C-N 3.32Å; Q193-K195 PolarHBondContact O-N 2.72Å; K195-K197 PolarHBondContact O-N 3.36Å; K195-K197 VanDerWaalsContact O-N 3.08Å
196I89.2Confident88.7Confident38 Ų38107.1 Ų107.120%0.19549%0.494CS..  trans-68.6109.8174.5-62.3166.1000108.5R192 Q193 Y201 H202R192-I196 WeakPolarHBondContact O-CG1 2.96Å; R192-I196 PolarHBondContact O-N 3.05Å; R192-I196 VanDerWaalsContact O-N 3.07Å; Q193-I196 PolarHBondContact O-N 3Å; I196-Y201 HydrophobicContact CB-CD1 3.87Å; I196-Y201 HydrophobicContact CB-CE1 4.09Å; I196-Y201 HydrophobicContact CB-CG 4.25Å; I196-Y201 HydrophobicContact CD1-CD1 4.48Å; I196-Y201 HydrophobicContact CD1-CD2 4.1Å; I196-Y201 HydrophobicContact CD1-CE1 4.26Å; I196-Y201 HydrophobicContact CD1-CE2 3.87Å; I196-Y201 HydrophobicContact CD1-CG 4.41Å; I196-Y201 HydrophobicContact CG2-CD1 3.39Å; I196-Y201 HydrophobicContact CG2-CD2 4.09Å; I196-Y201 HydrophobicContact CG2-CE1 4.1Å; I196-Y201 HydrophobicContact CG2-CG 3.39Å; I196-H202 PolarHBondContact O-CE1 2.69Å; I196-H202 PolarHBondContact O-NE2 3.37Å
197K90.4Very high88.9Confident164 Ų164105.7 Ų105.771%0.71349%0.488SS*.  trans-101.45.7177.6-55.5-51.9-173.4-1700113.8S194 K195 K199S194-K197 WeakPolarHBondContact O-CE 3.4Å; S194-K197 PolarHBondContact O-NZ 2.82Å; K195-K197 PolarHBondContact O-N 3.36Å; K195-K197 VanDerWaalsContact O-N 3.08Å; K197-K199 PolarHBondContact O-N 3.36Å
198S90.8Very high89.3Confident60 Ų60106.5 Ų106.542%0.4249%0.489SS..  trans-70.8131.3-174.480.30000111R200 Y201 H202S198-R200 PolarHBondContact O-N 2.69Å; S198-Y201 PolarHBondContact O-N 2.98Å; S198-Y201 WeakPolarHBondContact OG-CB 3.38Å; S198-Y201 PolarHBondContact OG-N 3.02Å; S198-H202 PolarHBondContact O-CD2 3.06Å; S198-H202 VanDerWaalsContact O-CD2 3.29Å; S198-H202 PolarHBondContact O-N 3.29Å
199K89.9Confident89.3Confident169 Ų169108.7 Ų108.774%0.73549%0.49SS*.Hα-helixtrans-58.1-37.6178.1-69.3-178.4-179.8175.80111.6K197 H202 R203K197-K199 PolarHBondContact O-N 3.36Å; K199-H202 PolarHBondContact O-N 2.59Å; K199-R203 VanDerWaalsContact O-CG 3.29Å; K199-R203 WeakPolarHBondContact O-CG 3.46Å; K199-R203 PolarHBondContact O-N 2.83Å
200R93.2Very high89Confident196 Ų196109.8 Ų109.874%0.7449%0.49SS*.Hα-helixtrans-61.8-46.8178-173.5179.3177.9-154.30.3111.4S198 H202 R203 I204S198-R200 PolarHBondContact O-N 2.69Å; R200-H202 PolarHBondContact O-N 3.34Å; R200-R203 PolarHBondContact O-N 3.14Å; R200-I204 HydrophobicContact CG-CD1 3.87Å; R200-I204 WeakPolarHBondContact O-CG1 3.46Å; R200-I204 PolarHBondContact O-N 3.4Å
201Y92.5Very high89.2Confident51 Ų51113.6 Ų113.620%0.250%0.498CS..Hα-helixtrans-58-49.8176.8173.1-101.6000111.6Q193 I196 S198 R203 I204 L205Q193-Y201 VanDerWaalsContact CG-OH 3.23Å; Q193-Y201 WeakPolarHBondContact CG-OH 3.43Å; I196-Y201 HydrophobicContact CB-CD1 3.87Å; I196-Y201 HydrophobicContact CB-CE1 4.09Å; I196-Y201 HydrophobicContact CB-CG 4.25Å; I196-Y201 HydrophobicContact CD1-CD1 4.48Å; I196-Y201 HydrophobicContact CD1-CD2 4.1Å; I196-Y201 HydrophobicContact CD1-CE1 4.26Å; I196-Y201 HydrophobicContact CD1-CE2 3.87Å; I196-Y201 HydrophobicContact CD1-CG 4.41Å; I196-Y201 HydrophobicContact CG2-CD1 3.39Å; I196-Y201 HydrophobicContact CG2-CD2 4.09Å; I196-Y201 HydrophobicContact CG2-CE1 4.1Å; I196-Y201 HydrophobicContact CG2-CG 3.39Å; S198-Y201 PolarHBondContact O-N 2.98Å; S198-Y201 WeakPolarHBondContact OG-CB 3.38Å; S198-Y201 PolarHBondContact OG-N 3.02Å; Y201-R203 VanDerWaalsContact C-N 3.32Å; Y201-R203 PolarHBondContact O-N 3.45Å; Y201-I204 PolarHBondContact O-N 3.37Å; Y201-L205 HydrophobicContact CE1-CD2 4.04Å; Y201-L205 WeakPolarHBondContact O-CB 3.47Å; Y201-L205 PolarHBondContact O-N 2.97Å
202H88.5Confident89.3Confident73 Ų73115.3 Ų115.334%0.33850%0.501SS..Hα-helixtrans-67.1-30.4179.9-66.1-60.6000113.6I196 S198 K199 R200 K206I196-H202 PolarHBondContact O-CE1 2.69Å; I196-H202 PolarHBondContact O-NE2 3.37Å; S198-H202 PolarHBondContact O-CD2 3.06Å; S198-H202 VanDerWaalsContact O-CD2 3.29Å; S198-H202 PolarHBondContact O-N 3.29Å; K199-H202 PolarHBondContact O-N 2.59Å; R200-H202 PolarHBondContact O-N 3.34Å; H202-K206 WeakPolarHBondContact O-CB 3.32Å; H202-K206 VanDerWaalsContact O-CG 3.23Å; H202-K206 WeakPolarHBondContact O-CG 3.03Å; H202-K206 PolarHBondContact O-N 3.41Å
203R91.6Very high89.3Confident180 Ų180112.2 Ų112.268%0.67950%0.497SS*.Hα-helixtrans-65.1-48.1171.8-75.4176.2-173.1179.91.2111.1K199 R200 Y201 K206 Q207K199-R203 VanDerWaalsContact O-CG 3.29Å; K199-R203 WeakPolarHBondContact O-CG 3.46Å; K199-R203 PolarHBondContact O-N 2.83Å; R200-R203 PolarHBondContact O-N 3.14Å; Y201-R203 VanDerWaalsContact C-N 3.32Å; Y201-R203 PolarHBondContact O-N 3.45Å; R203-K206 PolarHBondContact O-N 2.91Å; R203-Q207 WeakPolarHBondContact O-CB 3.37Å; R203-Q207 PolarHBondContact O-N 2.76Å
204I90.8Very high89.4Confident65 Ų65117 Ų11733%0.33351%0.512SS..Hα-helixtrans-63.8-45.9178.1-66.1168.5000110.4R200 Y201 K206 Q207 Q208R200-I204 HydrophobicContact CG-CD1 3.87Å; R200-I204 WeakPolarHBondContact O-CG1 3.46Å; R200-I204 PolarHBondContact O-N 3.4Å; Y201-I204 PolarHBondContact O-N 3.37Å; I204-K206 PolarHBondContact O-N 2.97Å; I204-Q207 CarbonylContact O-C 3.42Å; I204-Q207 WeakPolarHBondContact O-CA 3.44Å; I204-Q207 WeakPolarHBondContact O-CB 3.35Å; I204-Q207 PolarHBondContact O-N 2.83Å; I204-Q207 VanDerWaalsContact O-N 3.07Å; I204-Q208 HydrophobicContact CG2-CG 4.3Å; I204-Q208 WeakPolarHBondContact O-CG 3.38Å; I204-Q208 PolarHBondContact O-N 3.49Å
205L92Very high89.8Confident47 Ų47120 Ų12025%0.24652%0.516CS..Hα-helixtrans-58.1-46177.5-177.367.3000111.6Y201 Q207 Q208 Q209Y201-L205 HydrophobicContact CE1-CD2 4.04Å; Y201-L205 WeakPolarHBondContact O-CB 3.47Å; Y201-L205 PolarHBondContact O-N 2.97Å; L205-Q207 VanDerWaalsContact C-N 3.32Å; L205-Q207 PolarHBondContact O-N 2.83Å; L205-Q208 PolarHBondContact O-N 3.43Å; L205-Q209 WeakPolarHBondContact O-CB 3.45Å; L205-Q209 WeakPolarHBondContact O-CG 3.08Å; L205-Q209 PolarHBondContact O-N 3.29Å
206K88.8Confident89.7Confident126 Ų126117.8 Ų117.855%0.54851%0.508SS..Hα-helixtrans-63.2-37.5174.9-75.1178.7-177.6-168.90112.2H202 R203 I204 R210H202-K206 WeakPolarHBondContact O-CB 3.32Å; H202-K206 VanDerWaalsContact O-CG 3.23Å; H202-K206 WeakPolarHBondContact O-CG 3.03Å; H202-K206 PolarHBondContact O-N 3.41Å; R203-K206 PolarHBondContact O-N 2.91Å; I204-K206 PolarHBondContact O-N 2.97Å; K206-R210 WeakPolarHBondContact O-CG 3.41Å; K206-R210 PolarHBondContact O-N 3.28Å
207Q91.5Very high89.6Confident86 Ų86118.2 Ų118.240%0.40251%0.509SS..Hα-helixtrans-67.8-41.3176.3-172.6175.17.700111.6R203 I204 L205 R210 R211R203-Q207 WeakPolarHBondContact O-CB 3.37Å; R203-Q207 PolarHBondContact O-N 2.76Å; I204-Q207 CarbonylContact O-C 3.42Å; I204-Q207 WeakPolarHBondContact O-CA 3.44Å; I204-Q207 WeakPolarHBondContact O-CB 3.35Å; I204-Q207 PolarHBondContact O-N 2.83Å; I204-Q207 VanDerWaalsContact O-N 3.07Å; L205-Q207 VanDerWaalsContact C-N 3.32Å; L205-Q207 PolarHBondContact O-N 2.83Å; Q207-R210 PolarHBondContact O-N 2.62Å; Q207-R211 WeakPolarHBondContact O-CG 3.47Å; Q207-R211 PolarHBondContact O-N 2.96Å
208Q90.9Very high89.5Confident94 Ų94115.7 Ų115.744%0.43950%0.499SS..Hα-helixtrans-63.6-44.3174-73.2176.6-12.500111.6I204 L205 R210 R211 R212I204-Q208 HydrophobicContact CG2-CG 4.3Å; I204-Q208 WeakPolarHBondContact O-CG 3.38Å; I204-Q208 PolarHBondContact O-N 3.49Å; L205-Q208 PolarHBondContact O-N 3.43Å; Q208-R210 PolarHBondContact O-N 3.49Å; Q208-R211 PolarHBondContact O-N 3.31Å; Q208-R212 WeakPolarHBondContact O-CG 3.29Å; Q208-R212 PolarHBondContact O-N 2.89Å
209Q88Confident89.5Confident103 Ų103115 Ų11548%0.48149%0.491SS..Hα-helixtrans-58.1-46.3173.5-75.4173.8-23.700111.5L205 R211 R212 L213L205-Q209 WeakPolarHBondContact O-CB 3.45Å; L205-Q209 WeakPolarHBondContact O-CG 3.08Å; L205-Q209 PolarHBondContact O-N 3.29Å; Q209-R211 PolarHBondContact O-N 3.44Å; Q209-R212 PolarHBondContact O-N 3.03Å; Q209-L213 WeakPolarHBondContact O-CG 3.34Å; Q209-L213 PolarHBondContact O-N 2.74Å
210R83.5Confident89.4Confident149 Ų149107.5 Ų107.556%0.56246%0.459SS*.Hα-helixtrans-60.8-42.7174.4-74.9-169.8-59.1-93.62112.8K206 Q207 Q208 W214K206-R210 WeakPolarHBondContact O-CG 3.41Å; K206-R210 PolarHBondContact O-N 3.28Å; Q207-R210 PolarHBondContact O-N 2.62Å; Q208-R210 PolarHBondContact O-N 3.49Å; R210-W214 WeakPolarHBondContact O-CB 3.2Å; R210-W214 PolarHBondContact O-N 3.38Å
211R90.2Very high89.2Confident169 Ų169101.4 Ų101.464%0.63844%0.444SS*.Hα-helixtrans-63.4-41.5177.5-76.9-180177.6-175.6-1112Q207 Q208 Q209 W214 K215Q207-R211 WeakPolarHBondContact O-CG 3.47Å; Q207-R211 PolarHBondContact O-N 2.96Å; Q208-R211 PolarHBondContact O-N 3.31Å; Q209-R211 PolarHBondContact O-N 3.44Å; R211-W214 PolarHBondContact O-N 3.3Å; R211-K215 PolarHBondContact O-N 2.88Å
212R90.6Very high89Confident171 Ų171106.6 Ų106.665%0.64547%0.47SS*.Hα-helixtrans-62.3-51.1175.7-73.5179.3-176-178.5-2.5111.5Q208 Q209 W214 K215 E216Q208-R212 WeakPolarHBondContact O-CG 3.29Å; Q208-R212 PolarHBondContact O-N 2.89Å; Q209-R212 PolarHBondContact O-N 3.03Å; R212-W214 VanDerWaalsContact C-N 3.26Å; R212-W214 PolarHBondContact O-N 2.92Å; R212-K215 PolarHBondContact O-N 2.9Å; R212-K215 VanDerWaalsContact O-N 3.13Å; R212-E216 WeakPolarHBondContact O-CG 3.37Å; R212-E216 PolarHBondContact O-N 3.48Å
213L86.2Confident88.9Confident113 Ų113111.2 Ų111.259%0.59248%0.484SS*.Hα-helixtrans-59-37.7176.2-69.6171.3000112.2Q209 F217Q209-L213 WeakPolarHBondContact O-CG 3.34Å; Q209-L213 PolarHBondContact O-N 2.74Å; L213-F217 VanDerWaalsContact O-CB 3.3Å; L213-F217 WeakPolarHBondContact O-CB 3.44Å; L213-F217 PolarHBondContact O-N 2.9Å
214W85.7Confident88.8Confident167 Ų167106.6 Ų106.663%0.63347%0.473SS*.Hα-helixtrans-66-43.6175.3-177.3-95.6000112.5R210 R211 R212 F217 Q218R210-W214 WeakPolarHBondContact O-CB 3.2Å; R210-W214 PolarHBondContact O-N 3.38Å; R211-W214 PolarHBondContact O-N 3.3Å; R212-W214 VanDerWaalsContact C-N 3.26Å; R212-W214 PolarHBondContact O-N 2.92Å; W214-F217 WeakPolarHBondContact O-CB 3.36Å; W214-F217 PolarHBondContact O-N 3.34Å; W214-Q218 WeakPolarHBondContact O-CB 3.35Å; W214-Q218 PolarHBondContact O-N 3.43Å
215K90.9Very high88.8Confident134 Ų134107.6 Ų107.658%0.58348%0.484SS*.Hα-helixtrans-64-45176.3-172.7176.3-1801780111.3R211 R212 F217 Q218 D219R211-K215 PolarHBondContact O-N 2.88Å; R212-K215 PolarHBondContact O-N 2.9Å; R212-K215 VanDerWaalsContact O-N 3.13Å; K215-F217 VanDerWaalsContact C-N 3.26Å; K215-F217 PolarHBondContact O-N 3.28Å; K215-Q218 PolarHBondContact O-N 3.09Å; K215-D219 WeakPolarHBondContact O-CB 3.21Å; K215-D219 VanDerWaalsContact O-CG 3.31Å; K215-D219 PolarHBondContact O-N 3.01Å
216E88Confident88.6Confident119 Ų119115.1 Ų115.156%0.55651%0.509SS*.Hα-helixtrans-58-40.4173.8-72.7167-165.100111.6R212 L220R212-E216 WeakPolarHBondContact O-CG 3.37Å; R212-E216 PolarHBondContact O-N 3.48Å; E216-L220 VanDerWaalsContact O-CB 3.3Å; E216-L220 WeakPolarHBondContact O-CB 3.48Å; E216-L220 PolarHBondContact O-N 3.05Å
217F88.6Confident88.5Confident46 Ų46112.3 Ų112.320%0.20250%0.498CS..Hα-helixtrans-67.4-42.9174.6-175-97.6000112.6L213 W214 K215 L220 V221 A228 L232L213-F217 VanDerWaalsContact O-CB 3.3Å; L213-F217 WeakPolarHBondContact O-CB 3.44Å; L213-F217 PolarHBondContact O-N 2.9Å; W214-F217 WeakPolarHBondContact O-CB 3.36Å; W214-F217 PolarHBondContact O-N 3.34Å; K215-F217 VanDerWaalsContact C-N 3.26Å; K215-F217 PolarHBondContact O-N 3.28Å; F217-L220 WeakPolarHBondContact O-CB 3.47Å; F217-L220 PolarHBondContact O-N 2.77Å; F217-V221 HydrophobicContact CD1-CG2 4.11Å; F217-V221 HydrophobicContact CE1-CG2 3.72Å; F217-V221 HydrophobicContact CZ-CG2 4.05Å; F217-V221 WeakPolarHBondContact O-CG2 3.31Å; F217-V221 PolarHBondContact O-N 3.41Å; F217-A228 HydrophobicContact CE2-CB 4.45Å; F217-L232 HydrophobicContact CE2-CB 4.07Å; F217-L232 HydrophobicContact CE2-CD1 4.43Å; F217-L232 HydrophobicContact CZ-CB 4.13Å; F217-L232 HydrophobicContact CZ-CD1 3.75Å; F217-L232 HydrophobicContact CZ-CG 4.45Å
218Q88.1Confident88.4Confident111 Ų111108.4 Ų108.452%0.51948%0.48SS..Hα-helixtrans-64.7-44.7177.4-176177.1-13.100111.8W214 K215 L220 V221 Q222W214-Q218 WeakPolarHBondContact O-CB 3.35Å; W214-Q218 PolarHBondContact O-N 3.43Å; K215-Q218 PolarHBondContact O-N 3.09Å; Q218-L220 PolarHBondContact O-N 2.81Å; Q218-V221 WeakPolarHBondContact O-CB 3.19Å; Q218-V221 PolarHBondContact O-N 3.09Å; Q218-Q222 PolarHBondContact O-N 3.44Å
219D89.6Confident88.2Confident47 Ų47107.7 Ų107.725%0.25148%0.482SS..Hα-helixtrans-60.6-35.6174.5-70.3-5000110.8K215 Q222 R223K215-D219 WeakPolarHBondContact O-CB 3.21Å; K215-D219 VanDerWaalsContact O-CG 3.31Å; K215-D219 PolarHBondContact O-N 3.01Å; D219-Q222 PolarHBondContact O-N 3.15Å; D219-R223 VanDerWaalsContact CB-NH1 3.33Å; D219-R223 WeakPolarHBondContact O-CB 3.5Å; D219-R223 VanDerWaalsContact O-CG 3.29Å; D219-R223 WeakPolarHBondContact O-CG 3.45Å; D219-R223 PolarHBondContact O-N 3.2Å; D219-R223 IonicContact OD2-NH1 3.87Å; D219-R223 IonicContact OD2-NH2 3.3Å
220L87.9Confident88.2Confident11 Ų11108.1 Ų108.16%0.05848%0.484CS..Hα-helixtrans-68.2-44.1176.1-170.468.5000112.6E216 F217 Q218 Q222 R223 N224 E227 A228 K231E216-L220 VanDerWaalsContact O-CB 3.3Å; E216-L220 WeakPolarHBondContact O-CB 3.48Å; E216-L220 PolarHBondContact O-N 3.05Å; F217-L220 WeakPolarHBondContact O-CB 3.47Å; F217-L220 PolarHBondContact O-N 2.77Å; Q218-L220 PolarHBondContact O-N 2.81Å; L220-Q222 PolarHBondContact O-N 3.36Å; L220-R223 PolarHBondContact O-N 2.94Å; L220-N224 CarbonylContact O-C 3.49Å; L220-N224 VanDerWaalsContact O-C 3.27Å; L220-N224 PolarHBondContact O-N 3.4Å; L220-E227 HydrophobicContact CD1-CB 4.08Å; L220-E227 VanDerWaalsContact CD1-CD 3.41Å; L220-E227 HydrophobicContact CD1-CG 3.94Å; L220-E227 WeakPolarHBondContact CD1-OE1 3.45Å; L220-E227 WeakPolarHBondContact CD1-OE2 3.49Å; L220-E227 HydrophobicContact CD2-CG 4.39Å; L220-E227 HydrophobicContact CG-CB 4.34Å; L220-E227 HydrophobicContact CG-CG 4.46Å; L220-A228 HydrophobicContact CB-CB 4.47Å; L220-A228 HydrophobicContact CD2-CB 4.22Å; L220-A228 HydrophobicContact CG-CB 4.09Å; L220-K231 HydrophobicContact CD2-CB 4.07Å; L220-K231 HydrophobicContact CD2-CD 3.27Å; L220-K231 VanDerWaalsContact CD2-CE 3.43Å; L220-K231 HydrophobicContact CD2-CG 3.83Å
221V88.9Confident88.2Confident68 Ų68105 Ų10541%0.41248%0.475SS..Hα-helixtrans-55.9-40.2173.8172.10000110.2F217 Q218 A228F217-V221 HydrophobicContact CD1-CG2 4.11Å; F217-V221 HydrophobicContact CE1-CG2 3.72Å; F217-V221 HydrophobicContact CZ-CG2 4.05Å; F217-V221 WeakPolarHBondContact O-CG2 3.31Å; F217-V221 PolarHBondContact O-N 3.41Å; Q218-V221 WeakPolarHBondContact O-CB 3.19Å; Q218-V221 PolarHBondContact O-N 3.09Å; V221-A228 HydrophobicContact CB-CB 4.07Å; V221-A228 HydrophobicContact CG2-CB 3.44Å; V221-A228 VanDerWaalsContact CG2-CB 3.44Å
222Q88.5Confident87.9Confident160 Ų160101.5 Ų101.575%0.74847%0.468SS*.Hα-helixtrans-74.5-41.9-179.7-169.3172.89.900113.3Q218 D219 L220Q218-Q222 PolarHBondContact O-N 3.44Å; D219-Q222 PolarHBondContact O-N 3.15Å; L220-Q222 PolarHBondContact O-N 3.36Å
223R87.3Confident87.7Confident169 Ų16998.2 Ų98.264%0.63846%0.46SS*.Hα-helixtrans-67.8-55177.6-73.5178.7-172.9113.28.9110.9D219 L220D219-R223 VanDerWaalsContact CB-NH1 3.33Å; D219-R223 WeakPolarHBondContact O-CB 3.5Å; D219-R223 VanDerWaalsContact O-CG 3.29Å; D219-R223 WeakPolarHBondContact O-CG 3.45Å; D219-R223 PolarHBondContact O-N 3.2Å; D219-R223 IonicContact OD2-NH1 3.87Å; D219-R223 IonicContact OD2-NH2 3.3Å; L220-R223 PolarHBondContact O-N 2.94Å
224N88.6Confident87.7Confident83 Ų8396.8 Ų96.844%0.44445%0.453SS..  trans-143.295.3-171.3-69.9-30.3000109.8L220 R226 E227 A228L220-N224 CarbonylContact O-C 3.49Å; L220-N224 VanDerWaalsContact O-C 3.27Å; L220-N224 PolarHBondContact O-N 3.4Å; N224-R226 PolarHBondContact O-N 2.92Å; N224-R226 VanDerWaalsContact O-N 3.13Å; N224-E227 HydrophobicContact CB-CB 3.69Å; N224-E227 PolarHBondContact ND2-OE2 2.96Å; N224-E227 VanDerWaalsContact ND2-OE2 3.08Å; N224-E227 PolarHBondContact O-N 3.25Å; N224-E227 VanDerWaalsContact O-N 3.1Å; N224-A228 PolarHBondContact O-N 2.96Å; N224-A228 VanDerWaalsContact O-N 3.08Å
225P90.8Very high87.5Confident87 Ų8794 Ų9457%0.56545%0.45SS*.Hα-helixtrans-59.9-29.6-179.322.2-33.2000112.8A228 T229P225-A228 PolarHBondContact O-N 3.32Å; P225-T229 PolarHBondContact O-N 3.48Å; P225-T229 VanDerWaalsContact O-N 3.08Å; P225-T229 PolarHBondContact O-OG1 2.87Å
226R88.4Confident87.1Confident204 Ų20491.2 Ų91.277%0.7744%0.439SS*.Hα-helixtrans-67.3-45.4175.4-66.1-176179.9177.4-0.2112.7N224 A228 T229 E230N224-R226 PolarHBondContact O-N 2.92Å; N224-R226 VanDerWaalsContact O-N 3.13Å; R226-A228 PolarHBondContact O-N 3.36Å; R226-T229 WeakPolarHBondContact CA-OG1 3.43Å; R226-T229 PolarHBondContact O-N 2.81Å; R226-T229 PolarHBondContact O-OG1 2.95Å; R226-E230 WeakPolarHBondContact O-CG 3.42Å; R226-E230 PolarHBondContact O-N 3.45Å
227E87.2Confident86.7Confident67 Ų6788.1 Ų88.131%0.31342%0.424SS..Hα-helixtrans-66.3-33178.7-162.1-172.5150.700110.5L220 N224 E230 K231L220-E227 HydrophobicContact CD1-CB 4.08Å; L220-E227 VanDerWaalsContact CD1-CD 3.41Å; L220-E227 HydrophobicContact CD1-CG 3.94Å; L220-E227 WeakPolarHBondContact CD1-OE1 3.45Å; L220-E227 WeakPolarHBondContact CD1-OE2 3.49Å; L220-E227 HydrophobicContact CD2-CG 4.39Å; L220-E227 HydrophobicContact CG-CB 4.34Å; L220-E227 HydrophobicContact CG-CG 4.46Å; N224-E227 HydrophobicContact CB-CB 3.69Å; N224-E227 PolarHBondContact ND2-OE2 2.96Å; N224-E227 VanDerWaalsContact ND2-OE2 3.08Å; N224-E227 PolarHBondContact O-N 3.25Å; N224-E227 VanDerWaalsContact O-N 3.1Å; E227-E230 PolarHBondContact O-N 3.34Å; E227-K231 WeakPolarHBondContact O-CB 3.47Å; E227-K231 WeakPolarHBondContact O-CG 3.41Å; E227-K231 PolarHBondContact O-N 3.42Å; E227-K231 WeakPolarHBondContact OE1-CE 3.43Å; E227-K231 IonicContact OE1-NZ 3.48Å; E227-K231 PolarHBondContact OE1-NZ 3.24Å
228A87.8Confident86.2Confident4 Ų490.7 Ų90.73%0.03344%0.439CS..Hα-helixtrans-67.5-41.4173.800000113.2F217 L220 V221 N224 P225 R226 E230 K231 L232F217-A228 HydrophobicContact CE2-CB 4.45Å; L220-A228 HydrophobicContact CB-CB 4.47Å; L220-A228 HydrophobicContact CD2-CB 4.22Å; L220-A228 HydrophobicContact CG-CB 4.09Å; V221-A228 HydrophobicContact CB-CB 4.07Å; V221-A228 HydrophobicContact CG2-CB 3.44Å; V221-A228 VanDerWaalsContact CG2-CB 3.44Å; N224-A228 PolarHBondContact O-N 2.96Å; N224-A228 VanDerWaalsContact O-N 3.08Å; P225-A228 PolarHBondContact O-N 3.32Å; R226-A228 PolarHBondContact O-N 3.36Å; A228-E230 VanDerWaalsContact C-N 3.35Å; A228-K231 PolarHBondContact O-N 3.35Å; A228-L232 WeakPolarHBondContact O-CB 3.38Å; A228-L232 PolarHBondContact O-N 2.82Å
229T86.9Confident85.8Confident79 Ų7991.4 Ų91.449%0.48544%0.437SS..Hα-helixtrans-63.5-42.517348.20000111.4P225 R226 L232 E233P225-T229 PolarHBondContact O-N 3.48Å; P225-T229 VanDerWaalsContact O-N 3.08Å; P225-T229 PolarHBondContact O-OG1 2.87Å; R226-T229 WeakPolarHBondContact CA-OG1 3.43Å; R226-T229 PolarHBondContact O-N 2.81Å; R226-T229 PolarHBondContact O-OG1 2.95Å; T229-L232 PolarHBondContact O-N 2.88Å; T229-E233 WeakPolarHBondContact O-CG 3.47Å; T229-E233 PolarHBondContact O-N 2.66Å
230E87.7Confident85.3Confident113 Ų11392.1 Ų92.153%0.52844%0.441SS..Hα-helixtrans-63-43.4176.7-73.2170.5-172.800111.8R226 E227 A228 L232 E233 L234R226-E230 WeakPolarHBondContact O-CG 3.42Å; R226-E230 PolarHBondContact O-N 3.45Å; E227-E230 PolarHBondContact O-N 3.34Å; A228-E230 VanDerWaalsContact C-N 3.35Å; E230-L232 PolarHBondContact O-N 2.77Å; E230-E233 WeakPolarHBondContact O-CB 3.41Å; E230-E233 PolarHBondContact O-N 2.99Å; E230-L234 WeakPolarHBondContact O-CB 3.29Å; E230-L234 VanDerWaalsContact O-CG 3.32Å; E230-L234 WeakPolarHBondContact O-CG 3.23Å; E230-L234 PolarHBondContact O-N 2.93Å
231K83.9Confident84.7Confident82 Ų8292.8 Ų92.836%0.35744%0.444SS..Hα-helixtrans-66.2-36.6175.2-72.1-163.6-156151.20112.5L220 E227 A228 L234 L235L220-K231 HydrophobicContact CD2-CB 4.07Å; L220-K231 HydrophobicContact CD2-CD 3.27Å; L220-K231 VanDerWaalsContact CD2-CE 3.43Å; L220-K231 HydrophobicContact CD2-CG 3.83Å; E227-K231 WeakPolarHBondContact O-CB 3.47Å; E227-K231 WeakPolarHBondContact O-CG 3.41Å; E227-K231 PolarHBondContact O-N 3.42Å; E227-K231 WeakPolarHBondContact OE1-CE 3.43Å; E227-K231 IonicContact OE1-NZ 3.48Å; E227-K231 PolarHBondContact OE1-NZ 3.24Å; A228-K231 PolarHBondContact O-N 3.35Å; K231-L234 PolarHBondContact O-N 3.11Å; K231-L235 WeakPolarHBondContact O-CB 3.3Å; K231-L235 VanDerWaalsContact O-CG 3.27Å; K231-L235 WeakPolarHBondContact O-CG 3.45Å; K231-L235 PolarHBondContact O-N 3.06Å
232L85.2Confident83.9Confident96 Ų9694.9 Ų94.950%0.50345%0.449SS..Hα-helixtrans-65.6-41.8174.7-167.7150.7000110.9F217 A228 T229 E230 L235 E236F217-L232 HydrophobicContact CE2-CB 4.07Å; F217-L232 HydrophobicContact CE2-CD1 4.43Å; F217-L232 HydrophobicContact CZ-CB 4.13Å; F217-L232 HydrophobicContact CZ-CD1 3.75Å; F217-L232 HydrophobicContact CZ-CG 4.45Å; A228-L232 WeakPolarHBondContact O-CB 3.38Å; A228-L232 PolarHBondContact O-N 2.82Å; T229-L232 PolarHBondContact O-N 2.88Å; E230-L232 PolarHBondContact O-N 2.77Å; L232-L235 PolarHBondContact O-N 2.59Å; L232-E236 WeakPolarHBondContact O-CB 3.39Å; L232-E236 PolarHBondContact O-N 3.42Å
233E86.3Confident83.4Confident102 Ų10295.4 Ų95.448%0.47744%0.444SS..Hα-helixtrans-61.5-44.8172.8-75.1-178.7-167.700111.7T229 E230 E236 K237T229-E233 WeakPolarHBondContact O-CG 3.47Å; T229-E233 PolarHBondContact O-N 2.66Å; E230-E233 WeakPolarHBondContact O-CB 3.41Å; E230-E233 PolarHBondContact O-N 2.99Å; E233-E236 PolarHBondContact O-N 3.46Å; E233-K237 WeakPolarHBondContact O-CB 3.36Å; E233-K237 WeakPolarHBondContact O-CG 3.5Å; E233-K237 PolarHBondContact O-N 3.29Å; E233-K237 IonicContact OE2-NZ 3.54Å
234L86.1Confident82.7Confident83 Ų8388.9 Ų88.944%0.43542%0.424SS..Hα-helixtrans-59.8-45.7175.4-74.5168.5000111.8E230 K231 E236 K237 D238E230-L234 WeakPolarHBondContact O-CB 3.29Å; E230-L234 VanDerWaalsContact O-CG 3.32Å; E230-L234 WeakPolarHBondContact O-CG 3.23Å; E230-L234 PolarHBondContact O-N 2.93Å; K231-L234 PolarHBondContact O-N 3.11Å; L234-E236 VanDerWaalsContact C-N 3.34Å; L234-E236 PolarHBondContact O-N 3.29Å; L234-K237 WeakPolarHBondContact O-CB 3.33Å; L234-K237 PolarHBondContact O-N 3.45Å; L234-D238 WeakPolarHBondContact O-CB 3.1Å; L234-D238 PolarHBondContact O-N 3.15Å
235L81.1Confident82.1Confident109 Ų10985.7 Ų85.757%0.57141%0.408SS*.Hα-helixtrans-64-38.4176.9-72174.2000112.4K231 L232 R239K231-L235 WeakPolarHBondContact O-CB 3.3Å; K231-L235 VanDerWaalsContact O-CG 3.27Å; K231-L235 WeakPolarHBondContact O-CG 3.45Å; K231-L235 PolarHBondContact O-N 3.06Å; L232-L235 PolarHBondContact O-N 2.59Å; L235-R239 VanDerWaalsContact O-CB 3.23Å; L235-R239 WeakPolarHBondContact O-CB 3.27Å; L235-R239 PolarHBondContact O-N 2.91Å
236E82.4Confident81.4Confident76 Ų7687.1 Ų87.136%0.35541%0.41SS..Hα-helixtrans-71.1-37.1175.8-169.159.7-149.700111L232 E233 L234 R239 I240L232-E236 WeakPolarHBondContact O-CB 3.39Å; L232-E236 PolarHBondContact O-N 3.42Å; E233-E236 PolarHBondContact O-N 3.46Å; L234-E236 VanDerWaalsContact C-N 3.34Å; L234-E236 PolarHBondContact O-N 3.29Å; E236-R239 PolarHBondContact O-N 2.98Å; E236-R239 IonicContact OE1-NH1 2.88Å; E236-R239 IonicContact OE2-CZ 2.82Å; E236-R239 IonicContact OE2-NH1 3.71Å; E236-R239 PolarHBondContact OE2-NH1 3.36Å; E236-I240 HydrophobicContact CG-CD1 4.01Å; E236-I240 HydrophobicContact CG-CG1 4.45Å; E236-I240 WeakPolarHBondContact O-CB 3.48Å; E236-I240 WeakPolarHBondContact O-CD1 3.49Å; E236-I240 WeakPolarHBondContact O-CG1 3.33Å; E236-I240 PolarHBondContact O-N 2.72Å
237K80.3Confident80.5Confident54 Ų5487.6 Ų87.624%0.23541%0.412CS..Hα-helixtrans-59.3-50.3171.4-72.6169.2-175.1167.60111E233 L234 R239 I240 I241 Y288E233-K237 WeakPolarHBondContact O-CB 3.36Å; E233-K237 WeakPolarHBondContact O-CG 3.5Å; E233-K237 PolarHBondContact O-N 3.29Å; E233-K237 IonicContact OE2-NZ 3.54Å; L234-K237 WeakPolarHBondContact O-CB 3.33Å; L234-K237 PolarHBondContact O-N 3.45Å; K237-R239 VanDerWaalsContact C-N 3.32Å; K237-R239 PolarHBondContact O-N 2.85Å; K237-I240 PolarHBondContact O-N 3.41Å; K237-I240 VanDerWaalsContact O-N 3.16Å; K237-I241 WeakPolarHBondContact O-CB 3.24Å; K237-I241 VanDerWaalsContact O-CG1 3.24Å; K237-I241 WeakPolarHBondContact O-CG1 3.49Å; K237-I241 PolarHBondContact O-N 3.36Å; K237-Y288 HydrophobicContact CB-CE2 4.34Å; K237-Y288 HydrophobicContact CD-CD1 4.33Å; K237-Y288 HydrophobicContact CD-CE1 3.5Å; K237-Y288 HydrophobicContact CD-CE2 4.47Å; K237-Y288 VanDerWaalsContact CE-OH 3.3Å; K237-Y288 WeakPolarHBondContact CE-OH 3.22Å; K237-Y288 HydrophobicContact CG-CE1 3.92Å; K237-Y288 HydrophobicContact CG-CE2 3.97Å; K237-Y288 VanDerWaalsContact CG-CZ 3.47Å; K237-Y288 WeakPolarHBondContact CG-OH 3.37Å
238D76.4Confident79.8Confident99 Ų9986.9 Ų86.953%0.52941%0.408SS..Hα-helixtrans-59.7-42.5176.5-76.5-17000111.6L234 I241 E242L234-D238 WeakPolarHBondContact O-CB 3.1Å; L234-D238 PolarHBondContact O-N 3.15Å; D238-I241 PolarHBondContact O-N 3.1Å; D238-E242 WeakPolarHBondContact O-CB 3.25Å; D238-E242 PolarHBondContact O-N 3.27Å
239R79.5Confident79Confident126 Ų12694.6 Ų94.648%0.47544%0.437SS..Hα-helixtrans-65.7-39.4175.9-177.9-175.9168.3-152-4112L235 E236 K237 E242 R243L235-R239 VanDerWaalsContact O-CB 3.23Å; L235-R239 WeakPolarHBondContact O-CB 3.27Å; L235-R239 PolarHBondContact O-N 2.91Å; E236-R239 PolarHBondContact O-N 2.98Å; E236-R239 IonicContact OE1-NH1 2.88Å; E236-R239 IonicContact OE2-CZ 2.82Å; E236-R239 IonicContact OE2-NH1 3.71Å; E236-R239 PolarHBondContact OE2-NH1 3.36Å; K237-R239 VanDerWaalsContact C-N 3.32Å; K237-R239 PolarHBondContact O-N 2.85Å; R239-E242 PolarHBondContact O-N 2.89Å; R239-R243 VanDerWaalsContact O-CB 3.31Å; R239-R243 WeakPolarHBondContact O-CB 3.44Å; R239-R243 VanDerWaalsContact O-CG 3.22Å; R239-R243 WeakPolarHBondContact O-CG 3.47Å; R239-R243 PolarHBondContact O-N 3.31Å
240I80.6Confident78.4Confident63 Ų6391.6 Ų91.632%0.32342%0.422SS..Hα-helixtrans-64.7-44.7175.3-71162.8000109.7E236 K237 R243 S244 L286E236-I240 HydrophobicContact CG-CD1 4.01Å; E236-I240 HydrophobicContact CG-CG1 4.45Å; E236-I240 WeakPolarHBondContact O-CB 3.48Å; E236-I240 WeakPolarHBondContact O-CD1 3.49Å; E236-I240 WeakPolarHBondContact O-CG1 3.33Å; E236-I240 PolarHBondContact O-N 2.72Å; K237-I240 PolarHBondContact O-N 3.41Å; K237-I240 VanDerWaalsContact O-N 3.16Å; I240-R243 PolarHBondContact O-N 3.23Å; I240-S244 VanDerWaalsContact O-CB 3.28Å; I240-S244 WeakPolarHBondContact O-CB 3.23Å; I240-S244 PolarHBondContact O-N 3.47Å; I240-S244 PolarHBondContact O-OG 3.5Å; I240-S244 VanDerWaalsContact O-OG 3.09Å; I240-L286 HydrophobicContact CG2-CD1 3.93Å; I240-L286 HydrophobicContact CG2-CD2 3.49Å; I240-L286 VanDerWaalsContact CG2-CD2 3.49Å; I240-L286 HydrophobicContact CG2-CG 4.34Å
241I75.8Confident77.8Confident25 Ų2590.2 Ų90.213%0.12842%0.421CS..Hα-helixtrans-63-46.3175.8-66.5164.2000110.4K237 D238 R243 S244 T245 I283 Y288K237-I241 WeakPolarHBondContact O-CB 3.24Å; K237-I241 VanDerWaalsContact O-CG1 3.24Å; K237-I241 WeakPolarHBondContact O-CG1 3.49Å; K237-I241 PolarHBondContact O-N 3.36Å; D238-I241 PolarHBondContact O-N 3.1Å; I241-R243 PolarHBondContact O-N 3.33Å; I241-S244 PolarHBondContact O-N 2.91Å; I241-S244 PolarHBondContact O-OG 2.85Å; I241-T245 HydrophobicContact CG2-CG2 4.21Å; I241-T245 VanDerWaalsContact O-CB 3.27Å; I241-T245 WeakPolarHBondContact O-CB 3.5Å; I241-T245 VanDerWaalsContact O-CG2 3.24Å; I241-T245 WeakPolarHBondContact O-CG2 3.45Å; I241-T245 PolarHBondContact O-N 3.35Å; I241-T245 PolarHBondContact O-OG1 2.8Å; I241-I283 HydrophobicContact CG2-CG1 4.37Å; I241-Y288 HydrophobicContact CD1-CD2 4.14Å; I241-Y288 HydrophobicContact CD1-CG 4.5Å; I241-Y288 HydrophobicContact CG1-CD2 4.42Å
242E70.8Confident77.4Confident111 Ų11188.3 Ų88.352%0.51943%0.425SS..Hα-helixtrans-62.9-43.2178.2-170.4-179.6-159.900110.8D238 R239 L246D238-E242 WeakPolarHBondContact O-CB 3.25Å; D238-E242 PolarHBondContact O-N 3.27Å; R239-E242 PolarHBondContact O-N 2.89Å; E242-L246 WeakPolarHBondContact O-CA 3.42Å; E242-L246 VanDerWaalsContact O-CB 3.23Å; E242-L246 WeakPolarHBondContact O-CB 3.45Å; E242-L246 PolarHBondContact O-N 2.89Å
243R79.1Confident77.2Confident172 Ų17294.8 Ų94.865%0.64944%0.442SS*.Hα-helixtrans-68.3-40.9178.6-73.7-176.593.989.5-2.2113R239 I240 I241R239-R243 VanDerWaalsContact O-CB 3.31Å; R239-R243 WeakPolarHBondContact O-CB 3.44Å; R239-R243 VanDerWaalsContact O-CG 3.22Å; R239-R243 WeakPolarHBondContact O-CG 3.47Å; R239-R243 PolarHBondContact O-N 3.31Å; I240-R243 PolarHBondContact O-N 3.23Å; I241-R243 PolarHBondContact O-N 3.33Å
244S72.8Confident76.9Confident31 Ų3196 Ų9622%0.21744%0.443CS..Hα-helixtrans-70.3-41.4179.268.80000111.3I240 I241 L286I240-S244 VanDerWaalsContact O-CB 3.28Å; I240-S244 WeakPolarHBondContact O-CB 3.23Å; I240-S244 PolarHBondContact O-N 3.47Å; I240-S244 PolarHBondContact O-OG 3.5Å; I240-S244 VanDerWaalsContact O-OG 3.09Å; I241-S244 PolarHBondContact O-N 2.91Å; I241-S244 PolarHBondContact O-OG 2.85Å; S244-L286 WeakPolarHBondContact OG-CD1 3.42Å
245T75.2Confident76.7Confident16 Ų1692.1 Ų92.110%0.09842%0.423CS..Hα-helixtrans-84.4-9.1-179.965.90000113.3I241 R247 H248 R249 I283I241-T245 HydrophobicContact CG2-CG2 4.21Å; I241-T245 VanDerWaalsContact O-CB 3.27Å; I241-T245 WeakPolarHBondContact O-CB 3.5Å; I241-T245 VanDerWaalsContact O-CG2 3.24Å; I241-T245 WeakPolarHBondContact O-CG2 3.45Å; I241-T245 PolarHBondContact O-N 3.35Å; I241-T245 PolarHBondContact O-OG1 2.8Å; T245-R247 PolarHBondContact O-N 3.43Å; T245-H248 CarbonylContact O-C 3.6Å; T245-H248 WeakPolarHBondContact O-CA 3.33Å; T245-H248 PolarHBondContact O-N 3.4Å; T245-R249 PolarHBondContact O-N 3.22Å; T245-I283 HydrophobicContact CG2-CD1 3.96Å; T245-I283 HydrophobicContact CG2-CG1 3.58Å
246L75.5Confident76.7Confident117 Ų11793.6 Ų93.661%0.61342%0.424SS*.THydrogen-bonded Turntrans-52.5-37.5-175.7-167.861.7000112.6E242E242-L246 WeakPolarHBondContact O-CA 3.42Å; E242-L246 VanDerWaalsContact O-CB 3.23Å; E242-L246 WeakPolarHBondContact O-CB 3.45Å; E242-L246 PolarHBondContact O-N 2.89Å
247R69.4Low76.8Confident214 Ų21496 Ų9681%0.80843%0.434SS*.THydrogen-bonded Turntrans-79.4-19.4177.6-68.8-170.2172-138.10.5113.8T245 Q275T245-R247 PolarHBondContact O-N 3.43Å; R247-Q275 PolarHBondContact O-NE2 3.36Å
248H73.8Confident77.1Confident52 Ų5295.3 Ų95.324%0.24143%0.432CS..THydrogen-bonded Turntrans-118.34.4-170.7-55.7-77000114.5T245 G250 Q275 S279 L282T245-H248 CarbonylContact O-C 3.6Å; T245-H248 WeakPolarHBondContact O-CA 3.33Å; T245-H248 PolarHBondContact O-N 3.4Å; H248-G250 PolarHBondContact O-N 3.33Å; H248-G250 VanDerWaalsContact O-N 3.09Å; H248-Q275 HydrophobicContact CB-CG 4.19Å; H248-S279 WeakPolarHBondContact O-CB 3.38Å; H248-L282 WeakPolarHBondContact CD2-CD1 3.49Å
249R69.6Low77.4Confident166 Ų16695.9 Ų95.963%0.62643%0.433SS*.SBendtrans-68.4-2.9-179.1-156.6-175.5171.5-173.50.8115.2T245 T251T245-R249 PolarHBondContact O-N 3.22Å; R249-T251 HydrophobicContact CG-CG2 4.49Å; R249-T251 PolarHBondContact O-N 3.49Å
250G74.4Confident77.5Confident17 Ų1796.8 Ų96.818%0.17544%0.444CS..SBendtrans67.73.3-178.700000115.7H248 S255H248-G250 PolarHBondContact O-N 3.33Å; H248-G250 VanDerWaalsContact O-N 3.09Å; G250-S255 VanDerWaalsContact C-CB 3.5Å; G250-S255 VanDerWaalsContact CA-OG 3.27Å; G250-S255 WeakPolarHBondContact CA-OG 3.33Å; G250-S255 WeakPolarHBondContact O-CB 3.44Å; G250-S255 PolarHBondContact O-OG 3.4Å
251T75Confident77.7Confident83 Ų8398.8 Ų98.851%0.50945%0.448SS..  trans-92.8-10.5-178.549.80000114.1R249 K256R249-T251 HydrophobicContact CG-CG2 4.49Å; R249-T251 PolarHBondContact O-N 3.49Å; T251-K256 WeakPolarHBondContact O-CE 3.34Å
252G76.8Confident78.2Confident42 Ų4298.7 Ų98.743%0.43345%0.451SS..SBendtrans-66161.6179.800000113.5W254 S255 K256G252-W254 PolarHBondContact O-N 3.04Å; G252-S255 PolarHBondContact O-N 2.89Å; G252-S255 VanDerWaalsContact O-N 3.12Å; G252-K256 PolarHBondContact O-N 2.88Å
253R80.2Confident78.6Confident232 Ų232102.9 Ų102.988%0.87547%0.468SS*.Hα-helixtrans-56-36.4179.6-65.5-174.881.5-157.16.6112.8K257R253-K257 WeakPolarHBondContact O-CB 3.45Å; R253-K257 PolarHBondContact O-N 3.08Å
254W80Confident78.7Confident127 Ų127104.1 Ų104.148%0.48147%0.472SS..Hα-helixtrans-61.5-50.7176.1-178.983.5000111.4G252 K257 M258 A271 Q275G252-W254 PolarHBondContact O-N 3.04Å; W254-K257 PolarHBondContact O-N 3.25Å; W254-M258 HydrophobicContact CD2-CG 3.83Å; W254-M258 HydrophobicContact CE3-CG 4.22Å; W254-M258 HydrophobicContact CG-CG 4.32Å; W254-M258 HydrophobicContact CH2-CG 4.19Å; W254-M258 HydrophobicContact CZ2-CG 3.78Å; W254-M258 HydrophobicContact CZ2-SD 4.39Å; W254-M258 HydrophobicContact CZ3-CG 4.37Å; W254-M258 WeakPolarHBondContact O-CB 3.48Å; W254-M258 VanDerWaalsContact O-CG 3.3Å; W254-M258 WeakPolarHBondContact O-CG 3.36Å; W254-M258 PolarHBondContact O-N 2.8Å; W254-A271 HydrophobicContact CH2-CB 4.11Å; W254-Q275 HydrophobicContact CZ3-CB 4.46Å
255S82.5Confident79.3Confident2 Ų2106.7 Ų106.71%0.01448%0.483CS..Hα-helixtrans-66.8-40.1-178.5-171.70000112.2G250 G252 K257 M258 M259G250-S255 VanDerWaalsContact C-CB 3.5Å; G250-S255 VanDerWaalsContact CA-OG 3.27Å; G250-S255 WeakPolarHBondContact CA-OG 3.33Å; G250-S255 WeakPolarHBondContact O-CB 3.44Å; G250-S255 PolarHBondContact O-OG 3.4Å; G252-S255 PolarHBondContact O-N 2.89Å; G252-S255 VanDerWaalsContact O-N 3.12Å; S255-K257 VanDerWaalsContact C-N 3.32Å; S255-K257 PolarHBondContact O-N 2.91Å; S255-M258 PolarHBondContact O-N 3.14Å; S255-M259 WeakPolarHBondContact O-CB 3.13Å; S255-M259 WeakPolarHBondContact O-CG 3.33Å; S255-M259 PolarHBondContact O-N 2.87Å
256K81.1Confident80Confident140 Ų140113.7 Ų113.761%0.60951%0.509SS*.Hα-helixtrans-57.6-43.5170.9-71.8-176179.8-177.40112.5T251 G252 M260T251-K256 WeakPolarHBondContact O-CE 3.34Å; G252-K256 PolarHBondContact O-N 2.88Å; K256-M260 WeakPolarHBondContact O-CG 3.3Å; K256-M260 PolarHBondContact O-N 2.94Å
257K84.3Confident80.6Confident128 Ų128114.6 Ų114.656%0.55751%0.508SS*.Hα-helixtrans-68.3-43178.2-174.8169.1-175.3-176.80111R253 W254 S255 M260 Y261R253-K257 WeakPolarHBondContact O-CB 3.45Å; R253-K257 PolarHBondContact O-N 3.08Å; W254-K257 PolarHBondContact O-N 3.25Å; S255-K257 VanDerWaalsContact C-N 3.32Å; S255-K257 PolarHBondContact O-N 2.91Å; K257-M260 WeakPolarHBondContact O-CB 3.37Å; K257-M260 PolarHBondContact O-N 3.43Å; K257-Y261 HydrophobicContact CD-CE2 4.39Å; K257-Y261 HydrophobicContact CG-CD2 4.28Å; K257-Y261 HydrophobicContact CG-CE2 3.64Å; K257-Y261 WeakPolarHBondContact O-CD2 3.37Å; K257-Y261 WeakPolarHBondContact O-CE2 3.35Å
258M85.6Confident81.5Confident39 Ų39105.4 Ų105.419%0.19248%0.476CS..Hα-helixtrans-65.3-39.7177.1-71-60128.800112W254 S255 M260 Y261 A262 V268 I272W254-M258 HydrophobicContact CD2-CG 3.83Å; W254-M258 HydrophobicContact CE3-CG 4.22Å; W254-M258 HydrophobicContact CG-CG 4.32Å; W254-M258 HydrophobicContact CH2-CG 4.19Å; W254-M258 HydrophobicContact CZ2-CG 3.78Å; W254-M258 HydrophobicContact CZ2-SD 4.39Å; W254-M258 HydrophobicContact CZ3-CG 4.37Å; W254-M258 WeakPolarHBondContact O-CB 3.48Å; W254-M258 VanDerWaalsContact O-CG 3.3Å; W254-M258 WeakPolarHBondContact O-CG 3.36Å; W254-M258 PolarHBondContact O-N 2.8Å; S255-M258 PolarHBondContact O-N 3.14Å; M258-M260 PolarHBondContact O-N 3.44Å; M258-Y261 CarbonylContact O-C 3.58Å; M258-Y261 PolarHBondContact O-N 3.25Å; M258-A262 WeakPolarHBondContact O-CB 3.48Å; M258-A262 PolarHBondContact O-N 3.15Å; M258-V268 HydrophobicContact CB-CG1 3.72Å; M258-V268 HydrophobicContact CG-CG1 4.21Å; M258-V268 WeakPolarHBondContact O-CG1 3.43Å; M258-V268 HydrophobicContact SD-CB 4.47Å; M258-V268 HydrophobicContact SD-CG1 3.62Å; M258-V268 HydrophobicContact SD-CG2 4.11Å; M258-I272 HydrophobicContact CB-CD1 3.92Å; M258-I272 HydrophobicContact CB-CG1 3.98Å
259M83Confident82.1Confident111 Ų111110.3 Ų110.355%0.54749%0.492SS..Hα-helixtrans-56.6-36175.6-82.8-178.2162.800112.6S255 Y261 A262 I272S255-M259 WeakPolarHBondContact O-CB 3.13Å; S255-M259 WeakPolarHBondContact O-CG 3.33Å; S255-M259 PolarHBondContact O-N 2.87Å; M259-Y261 VanDerWaalsContact C-N 3.29Å; M259-Y261 PolarHBondContact O-N 3.11Å; M259-A262 PolarHBondContact O-N 3.29Å; M259-I272 HydrophobicContact CG-CD1 4.09Å
260M82Confident83Confident145 Ų145106.9 Ų106.971%0.71448%0.483SS*.Hα-helixtrans-64.9-32.8175.4-64.4-71.5-86.500112.7K256 K257 M258K256-M260 WeakPolarHBondContact O-CG 3.3Å; K256-M260 PolarHBondContact O-N 2.94Å; K257-M260 WeakPolarHBondContact O-CB 3.37Å; K257-M260 PolarHBondContact O-N 3.43Å; M258-M260 PolarHBondContact O-N 3.44Å
261Y85Confident83.7Confident105 Ų105107.5 Ų107.541%0.41249%0.487SS..Hα-helixtrans-91.8-19.4178.7-59.3-68000113.3K257 M258 M259 K263 R264 D265K257-Y261 HydrophobicContact CD-CE2 4.39Å; K257-Y261 HydrophobicContact CG-CD2 4.28Å; K257-Y261 HydrophobicContact CG-CE2 3.64Å; K257-Y261 WeakPolarHBondContact O-CD2 3.37Å; K257-Y261 WeakPolarHBondContact O-CE2 3.35Å; M258-Y261 CarbonylContact O-C 3.58Å; M258-Y261 PolarHBondContact O-N 3.25Å; M259-Y261 VanDerWaalsContact C-N 3.29Å; M259-Y261 PolarHBondContact O-N 3.11Å; Y261-K263 PolarHBondContact O-N 3.42Å; Y261-R264 PolarHBondContact O-N 3.16Å; Y261-D265 PolarHBondContact O-N 2.98Å
262A85.1Confident84.2Confident22 Ų22104.2 Ų104.218%0.18247%0.466CS..THydrogen-bonded Turntrans-58-23.8-177.600000113.9M258 M259 R264 V268 I272M258-A262 WeakPolarHBondContact O-CB 3.48Å; M258-A262 PolarHBondContact O-N 3.15Å; M259-A262 PolarHBondContact O-N 3.29Å; A262-R264 VanDerWaalsContact C-N 3.27Å; A262-R264 PolarHBondContact O-N 3.47Å; A262-V268 HydrophobicContact CB-CG1 4.26Å; A262-I272 HydrophobicContact CB-CD1 3.55Å
263K79.8Confident84.7Confident200 Ų200107.4 Ų107.487%0.8747%0.47SS*.THydrogen-bonded Turntrans-70.5-23.6175.4-146.9178.8-172.1-178.90112.7Y261Y261-K263 PolarHBondContact O-N 3.42Å
264R82.6Confident85.1Confident198 Ų198101.2 Ų101.275%0.74745%0.451SS*.THydrogen-bonded Turntrans-108.8-45.7-174.4-65.9178.2175.884.9-0.3112.4Y261 A262Y261-R264 PolarHBondContact O-N 3.16Å; A262-R264 VanDerWaalsContact C-N 3.27Å; A262-R264 PolarHBondContact O-N 3.47Å
265D85Confident85.3Confident84 Ų8496.5 Ų96.545%0.44943%0.434SS..  trans-102.1116.6-172.6-70.3-31.3000111.5Y261 K267 V268 R269Y261-D265 PolarHBondContact O-N 2.98Å; D265-K267 VanDerWaalsContact C-N 3.28Å; D265-K267 PolarHBondContact O-N 3.33Å; D265-V268 HydrophobicContact CB-CB 3.9Å; D265-V268 HydrophobicContact CB-CG2 3.55Å; D265-V268 PolarHBondContact O-N 2.88Å; D265-V268 VanDerWaalsContact O-N 3.11Å; D265-R269 PolarHBondContact O-N 3.4Å; D265-R269 VanDerWaalsContact O-N 3.12Å
266Y89.6Confident85.4Confident164 Ų16499.9 Ų99.964%0.64345%0.451SS*.Hα-helixtrans-59.1-40.4177.585.4-90.2000111.8V268 R269 E270Y266-V268 VanDerWaalsContact C-N 3.27Å; Y266-V268 PolarHBondContact O-N 3.31Å; Y266-R269 WeakPolarHBondContact O-CB 3.23Å; Y266-R269 PolarHBondContact O-N 3.03Å; Y266-R269 VanDerWaalsContact O-N 3.17Å; Y266-E270 WeakPolarHBondContact O-CB 3.29Å; Y266-E270 PolarHBondContact O-N 2.92Å
267K88.8Confident85.6Confident135 Ų135101.1 Ų101.159%0.58745%0.452SS*.Hα-helixtrans-61.5-35.1177.3-63.3-174.3178.3178.80112.3D265 A271D265-K267 VanDerWaalsContact C-N 3.28Å; D265-K267 PolarHBondContact O-N 3.33Å; K267-A271 WeakPolarHBondContact O-CB 3.49Å; K267-A271 PolarHBondContact O-N 2.84Å
268V87.1Confident85.6Confident21 Ų21100.1 Ų100.113%0.12745%0.448CS..Hα-helixtrans-71.8-40.3177.9176.50000110.4M258 A262 D265 Y266 A271 I272M258-V268 HydrophobicContact CB-CG1 3.72Å; M258-V268 HydrophobicContact CG-CG1 4.21Å; M258-V268 WeakPolarHBondContact O-CG1 3.43Å; M258-V268 HydrophobicContact SD-CB 4.47Å; M258-V268 HydrophobicContact SD-CG1 3.62Å; M258-V268 HydrophobicContact SD-CG2 4.11Å; A262-V268 HydrophobicContact CB-CG1 4.26Å; D265-V268 HydrophobicContact CB-CB 3.9Å; D265-V268 HydrophobicContact CB-CG2 3.55Å; D265-V268 PolarHBondContact O-N 2.88Å; D265-V268 VanDerWaalsContact O-N 3.11Å; Y266-V268 VanDerWaalsContact C-N 3.27Å; Y266-V268 PolarHBondContact O-N 3.31Å; V268-A271 PolarHBondContact O-N 2.84Å; V268-I272 HydrophobicContact CG1-CD1 4.21Å; V268-I272 WeakPolarHBondContact O-CG1 3.22Å; V268-I272 PolarHBondContact O-N 3.33Å
269R87.3Confident85.2Confident155 Ų15599.1 Ų99.159%0.58545%0.445SS*.Hα-helixtrans-62.4-43.7174.1-173.5174.9-178.81620.4111.5D265 Y266 I272 Q273D265-R269 PolarHBondContact O-N 3.4Å; D265-R269 VanDerWaalsContact O-N 3.12Å; Y266-R269 WeakPolarHBondContact O-CB 3.23Å; Y266-R269 PolarHBondContact O-N 3.03Å; Y266-R269 VanDerWaalsContact O-N 3.17Å; R269-I272 PolarHBondContact O-N 3.18Å; R269-Q273 WeakPolarHBondContact O-CG 3.41Å; R269-Q273 PolarHBondContact O-N 2.95Å
270E88.7Confident85Confident95 Ų95100.6 Ų100.644%0.44445%0.448SS..Hα-helixtrans-59.7-47.7175.1-171.1175-163.800111.1Y266 I272 Q273 E274Y266-E270 WeakPolarHBondContact O-CB 3.29Å; Y266-E270 PolarHBondContact O-N 2.92Å; E270-I272 VanDerWaalsContact C-N 3.32Å; E270-I272 PolarHBondContact O-N 2.82Å; E270-Q273 CarbonylContact O-C 3.51Å; E270-Q273 WeakPolarHBondContact O-CB 3.18Å; E270-Q273 PolarHBondContact O-N 3.23Å; E270-Q273 VanDerWaalsContact O-N 3.1Å; E270-E274 WeakPolarHBondContact O-CG 3.42Å; E270-E274 PolarHBondContact O-N 3.27Å
271A87.6Confident85.1Confident29 Ų2996.7 Ų96.724%0.2443%0.428CS..Hα-helixtrans-61.9-35176.900000113.6W254 K267 V268 Q275W254-A271 HydrophobicContact CH2-CB 4.11Å; K267-A271 WeakPolarHBondContact O-CB 3.49Å; K267-A271 PolarHBondContact O-N 2.84Å; V268-A271 PolarHBondContact O-N 2.84Å; A271-Q275 PolarHBondContact O-N 3.08Å
272I85.5Confident84.7Confident15 Ų1594.1 Ų94.18%0.07742%0.421CS..Hα-helixtrans-68.9-44173.3-68.7166.6000110.5M258 M259 A262 V268 R269 E270 E274 Q275 I276M258-I272 HydrophobicContact CB-CD1 3.92Å; M258-I272 HydrophobicContact CB-CG1 3.98Å; M259-I272 HydrophobicContact CG-CD1 4.09Å; A262-I272 HydrophobicContact CB-CD1 3.55Å; V268-I272 HydrophobicContact CG1-CD1 4.21Å; V268-I272 WeakPolarHBondContact O-CG1 3.22Å; V268-I272 PolarHBondContact O-N 3.33Å; R269-I272 PolarHBondContact O-N 3.18Å; E270-I272 VanDerWaalsContact C-N 3.32Å; E270-I272 PolarHBondContact O-N 2.82Å; I272-E274 VanDerWaalsContact C-N 3.32Å; I272-E274 PolarHBondContact O-N 3.13Å; I272-Q275 PolarHBondContact O-N 3.04Å; I272-I276 HydrophobicContact CG2-CD1 3.82Å; I272-I276 HydrophobicContact CG2-CG1 4.46Å; I272-I276 VanDerWaalsContact O-CG1 3.32Å; I272-I276 WeakPolarHBondContact O-CG1 3.34Å; I272-I276 PolarHBondContact O-N 2.89Å
273Q87.8Confident84.2Confident109 Ų10995.2 Ų95.251%0.50942%0.423SS..Hα-helixtrans-61.5-41.4176.3-75.4175.1-24.600111.2R269 E270 I276 R277R269-Q273 WeakPolarHBondContact O-CG 3.41Å; R269-Q273 PolarHBondContact O-N 2.95Å; E270-Q273 CarbonylContact O-C 3.51Å; E270-Q273 WeakPolarHBondContact O-CB 3.18Å; E270-Q273 PolarHBondContact O-N 3.23Å; E270-Q273 VanDerWaalsContact O-N 3.1Å; Q273-I276 PolarHBondContact O-N 3.02Å; Q273-R277 WeakPolarHBondContact O-CB 3.44Å; Q273-R277 PolarHBondContact O-N 2.9Å
274E88.5Confident84.2Confident102 Ų10288.2 Ų88.248%0.47740%0.403SS..Hα-helixtrans-61-44.7171.9-74.8-171.515800111.5E270 I272 I276 R277 F278E270-E274 WeakPolarHBondContact O-CG 3.42Å; E270-E274 PolarHBondContact O-N 3.27Å; I272-E274 VanDerWaalsContact C-N 3.32Å; I272-E274 PolarHBondContact O-N 3.13Å; E274-I276 VanDerWaalsContact C-N 3.33Å; E274-I276 PolarHBondContact O-N 3.31Å; E274-R277 CarbonylContact O-C 3.56Å; E274-R277 WeakPolarHBondContact O-CB 3.43Å; E274-R277 PolarHBondContact O-N 3.35Å; E274-R277 VanDerWaalsContact O-N 3.16Å; E274-F278 WeakPolarHBondContact O-CB 3.44Å; E274-F278 WeakPolarHBondContact O-CD2 3.39Å; E274-F278 PolarHBondContact O-N 3.38Å
275Q85Confident83.9Confident28 Ų2887 Ų8713%0.13140%0.403CS..Hα-helixtrans-61.7-41.4177.1-171.2174.129.200112.1R247 H248 W254 A271 I272 F278 S279R247-Q275 PolarHBondContact O-NE2 3.36Å; H248-Q275 HydrophobicContact CB-CG 4.19Å; W254-Q275 HydrophobicContact CZ3-CB 4.46Å; A271-Q275 PolarHBondContact O-N 3.08Å; I272-Q275 PolarHBondContact O-N 3.04Å; Q275-F278 PolarHBondContact O-N 3.22Å; Q275-S279 PolarHBondContact O-N 3.48Å
276I84.4Confident83Confident73 Ų7385.6 Ų85.637%0.37440%0.395SS..Hα-helixtrans-67.2-38.8174.8-66.1166.7000110.5I272 Q273 E274 S279 K280I272-I276 HydrophobicContact CG2-CD1 3.82Å; I272-I276 HydrophobicContact CG2-CG1 4.46Å; I272-I276 VanDerWaalsContact O-CG1 3.32Å; I272-I276 WeakPolarHBondContact O-CG1 3.34Å; I272-I276 PolarHBondContact O-N 2.89Å; Q273-I276 PolarHBondContact O-N 3.02Å; E274-I276 VanDerWaalsContact C-N 3.33Å; E274-I276 PolarHBondContact O-N 3.31Å; I276-S279 PolarHBondContact O-N 2.89Å; I276-S279 PolarHBondContact O-OG 2.87Å; I276-K280 HydrophobicContact CG2-CD 4.42Å; I276-K280 WeakPolarHBondContact O-CG 3.37Å; I276-K280 PolarHBondContact O-N 3.31Å
277R86Confident81.6Confident165 Ų16580.8 Ų80.862%0.62340%0.395SS*.Hα-helixtrans-64-46175.8-176.4-177.7172.1167.75.8110.7Q273 E274 S279 K280 E281Q273-R277 WeakPolarHBondContact O-CB 3.44Å; Q273-R277 PolarHBondContact O-N 2.9Å; E274-R277 CarbonylContact O-C 3.56Å; E274-R277 WeakPolarHBondContact O-CB 3.43Å; E274-R277 PolarHBondContact O-N 3.35Å; E274-R277 VanDerWaalsContact O-N 3.16Å; R277-S279 VanDerWaalsContact C-N 3.3Å; R277-S279 PolarHBondContact O-N 3.48Å; R277-K280 PolarHBondContact O-N 2.8Å; R277-E281 HydrophobicContact CG-CG 4.37Å; R277-E281 WeakPolarHBondContact CG-OE1 3.27Å; R277-E281 IonicContact CZ-OE1 3.67Å; R277-E281 IonicContact NE-OE1 2.86Å; R277-E281 PolarHBondContact NE-OE1 3.07Å; R277-E281 IonicContact NH2-OE1 3.66Å; R277-E281 WeakPolarHBondContact O-CB 3.38Å; R277-E281 WeakPolarHBondContact O-CG 3.48Å; R277-E281 PolarHBondContact O-N 3.37Å
278F82.9Confident80.1Confident108 Ų10878.5 Ų78.547%0.47438%0.383SS..Hα-helixtrans-59.7-38.6173.9-85.1-64.6000112.1E274 Q275 E281 L282E274-F278 WeakPolarHBondContact O-CB 3.44Å; E274-F278 WeakPolarHBondContact O-CD2 3.39Å; E274-F278 PolarHBondContact O-N 3.38Å; Q275-F278 PolarHBondContact O-N 3.22Å; F278-E281 PolarHBondContact O-N 2.8Å; F278-L282 VanDerWaalsContact O-CB 3.3Å; F278-L282 WeakPolarHBondContact O-CB 3.45Å; F278-L282 WeakPolarHBondContact O-CD1 3.47Å; F278-L282 VanDerWaalsContact O-CG 3.26Å; F278-L282 WeakPolarHBondContact O-CG 3.33Å; F278-L282 PolarHBondContact O-N 3.41Å
279S77.9Confident78.3Confident18 Ų1880.5 Ų80.513%0.12640%0.402CS..Hα-helixtrans-65.1-45.5175.777.10000111.4H248 Q275 I276 R277 L282 I283H248-S279 WeakPolarHBondContact O-CB 3.38Å; Q275-S279 PolarHBondContact O-N 3.48Å; I276-S279 PolarHBondContact O-N 2.89Å; I276-S279 PolarHBondContact O-OG 2.87Å; R277-S279 VanDerWaalsContact C-N 3.3Å; R277-S279 PolarHBondContact O-N 3.48Å; S279-L282 PolarHBondContact O-N 3.24Å; S279-I283 WeakPolarHBondContact O-CD1 3.49Å; S279-I283 WeakPolarHBondContact O-CG1 3.32Å; S279-I283 PolarHBondContact O-N 3.38Å
280K78.1Confident76.5Confident142 Ų14281.8 Ų81.862%0.61742%0.415SS*.Hα-helixtrans-61.3-43.7174.3-70.5-178.5178.1-168.50112.1I276 R277 I283 A284I276-K280 HydrophobicContact CG2-CD 4.42Å; I276-K280 WeakPolarHBondContact O-CG 3.37Å; I276-K280 PolarHBondContact O-N 3.31Å; R277-K280 PolarHBondContact O-N 2.8Å; K280-I283 PolarHBondContact O-N 3.22Å; K280-A284 WeakPolarHBondContact O-CB 3.41Å; K280-A284 PolarHBondContact O-N 3.24Å
281E84.1Confident74.8Confident63 Ų6385.4 Ų85.429%0.29443%0.431SS..Hα-helixtrans-66.5-37.1177.7-76.1179.5-168.100112.3R277 F278 A284 K285R277-E281 HydrophobicContact CG-CG 4.37Å; R277-E281 WeakPolarHBondContact CG-OE1 3.27Å; R277-E281 IonicContact CZ-OE1 3.67Å; R277-E281 IonicContact NE-OE1 2.86Å; R277-E281 PolarHBondContact NE-OE1 3.07Å; R277-E281 IonicContact NH2-OE1 3.66Å; R277-E281 WeakPolarHBondContact O-CB 3.38Å; R277-E281 WeakPolarHBondContact O-CG 3.48Å; R277-E281 PolarHBondContact O-N 3.37Å; F278-E281 PolarHBondContact O-N 2.8Å; E281-A284 PolarHBondContact O-N 3.47Å; E281-K285 WeakPolarHBondContact O-CB 3.45Å; E281-K285 VanDerWaalsContact O-CG 3.3Å; E281-K285 WeakPolarHBondContact O-CG 3.09Å; E281-K285 PolarHBondContact O-N 3.26Å
282L77.8Confident73.1Confident51 Ų5190.6 Ų90.627%0.26745%0.454SS..Hα-helixtrans-66.7-42.9174.3-80.2164.3000111.5H248 F278 S279 A284 K285 L286H248-L282 WeakPolarHBondContact CD2-CD1 3.49Å; F278-L282 VanDerWaalsContact O-CB 3.3Å; F278-L282 WeakPolarHBondContact O-CB 3.45Å; F278-L282 WeakPolarHBondContact O-CD1 3.47Å; F278-L282 VanDerWaalsContact O-CG 3.26Å; F278-L282 WeakPolarHBondContact O-CG 3.33Å; F278-L282 PolarHBondContact O-N 3.41Å; S279-L282 PolarHBondContact O-N 3.24Å; L282-A284 VanDerWaalsContact C-N 3.31Å; L282-K285 PolarHBondContact O-N 2.98Å; L282-L286 WeakPolarHBondContact O-CG 3.23Å; L282-L286 PolarHBondContact O-N 3.07Å; L282-L286 VanDerWaalsContact O-N 3.11Å
283I73.7Confident71Confident44 Ų4494.8 Ų94.823%0.22648%0.48CS..Hα-helixtrans-60.1-44.9173.4-67163.5000109.8I241 T245 S279 K280 L286I241-I283 HydrophobicContact CG2-CG1 4.37Å; T245-I283 HydrophobicContact CG2-CD1 3.96Å; T245-I283 HydrophobicContact CG2-CG1 3.58Å; S279-I283 WeakPolarHBondContact O-CD1 3.49Å; S279-I283 WeakPolarHBondContact O-CG1 3.32Å; S279-I283 PolarHBondContact O-N 3.38Å; K280-I283 PolarHBondContact O-N 3.22Å; I283-L286 PolarHBondContact O-N 3.29Å
284A80Confident68.7Low53 Ų5398.7 Ų98.744%0.43850%0.499SS..Hα-helixtrans-64-45.6178.200000112.7K280 E281 L282 L286 G287K280-A284 WeakPolarHBondContact O-CB 3.41Å; K280-A284 PolarHBondContact O-N 3.24Å; E281-A284 PolarHBondContact O-N 3.47Å; L282-A284 VanDerWaalsContact C-N 3.31Å; A284-L286 VanDerWaalsContact C-N 3.26Å; A284-L286 PolarHBondContact O-N 3.28Å; A284-G287 PolarHBondContact O-N 2.82Å; A284-G287 VanDerWaalsContact O-N 3.09Å
285K76.1Confident66.1Low172 Ų172101.4 Ų101.475%0.74851%0.511SS*.Hα-helixtrans-64.3-28.8178.9-79179-176.8176.30113.4E281 L282 G287E281-K285 WeakPolarHBondContact O-CB 3.45Å; E281-K285 VanDerWaalsContact O-CG 3.3Å; E281-K285 WeakPolarHBondContact O-CG 3.09Å; E281-K285 PolarHBondContact O-N 3.26Å; L282-K285 PolarHBondContact O-N 2.98Å; K285-G287 PolarHBondContact O-N 3.18Å
286L66.8Low63.8Low56 Ų56104.6 Ų104.629%0.29354%0.535SS..THydrogen-bonded Turntrans-72.3-1.7175.8-78.8166.5000113.4I240 S244 L282 I283 A284 Y288I240-L286 HydrophobicContact CG2-CD1 3.93Å; I240-L286 HydrophobicContact CG2-CD2 3.49Å; I240-L286 VanDerWaalsContact CG2-CD2 3.49Å; I240-L286 HydrophobicContact CG2-CG 4.34Å; S244-L286 WeakPolarHBondContact OG-CD1 3.42Å; L282-L286 WeakPolarHBondContact O-CG 3.23Å; L282-L286 PolarHBondContact O-N 3.07Å; L282-L286 VanDerWaalsContact O-N 3.11Å; I283-L286 PolarHBondContact O-N 3.29Å; A284-L286 VanDerWaalsContact C-N 3.26Å; A284-L286 PolarHBondContact O-N 3.28Å; L286-Y288 HydrophobicContact CB-CD2 4.14Å; L286-Y288 HydrophobicContact CB-CE2 4.47Å; L286-Y288 VanDerWaalsContact O-CD2 3.23Å; L286-Y288 WeakPolarHBondContact O-CD2 3.33Å; L286-Y288 WeakPolarHBondContact O-CE2 3.13Å
287G60.7Low61.6Low62 Ų62112.2 Ų112.264%0.63956%0.559SS**THydrogen-bonded Turntrans86.710.1170.900000114.6A284 K285A284-G287 PolarHBondContact O-N 2.82Å; A284-G287 VanDerWaalsContact O-N 3.09Å; K285-G287 PolarHBondContact O-N 3.18Å
288Y57Low59Low87 Ų87112.7 Ų112.734%0.34157%0.568SS.*  trans-111.540.6-176.6-56.9-66000112.9K237 I241 L286 H290K237-Y288 HydrophobicContact CB-CE2 4.34Å; K237-Y288 HydrophobicContact CD-CD1 4.33Å; K237-Y288 HydrophobicContact CD-CE1 3.5Å; K237-Y288 HydrophobicContact CD-CE2 4.47Å; K237-Y288 VanDerWaalsContact CE-OH 3.3Å; K237-Y288 WeakPolarHBondContact CE-OH 3.22Å; K237-Y288 HydrophobicContact CG-CE1 3.92Å; K237-Y288 HydrophobicContact CG-CE2 3.97Å; K237-Y288 VanDerWaalsContact CG-CZ 3.47Å; K237-Y288 WeakPolarHBondContact CG-OH 3.37Å; I241-Y288 HydrophobicContact CD1-CD2 4.14Å; I241-Y288 HydrophobicContact CD1-CG 4.5Å; I241-Y288 HydrophobicContact CG1-CD2 4.42Å; L286-Y288 HydrophobicContact CB-CD2 4.14Å; L286-Y288 HydrophobicContact CB-CE2 4.47Å; L286-Y288 VanDerWaalsContact O-CD2 3.23Å; L286-Y288 WeakPolarHBondContact O-CD2 3.33Å; L286-Y288 WeakPolarHBondContact O-CE2 3.13Å; Y288-H290 PolarHBondContact O-N 3.43Å
289A49Very low56.8Low63 Ų63114.5 Ų114.552%0.52158%0.583SS.*THydrogen-bonded Turntrans-72-4.5-17900000114.3
290H49.8Very low54.7Low183 Ų183116.5 Ų116.585%0.84761%0.606SS**THydrogen-bonded Turntrans-102.4-8.6-165.4-158.344.8000116.5Y288Y288-H290 PolarHBondContact O-N 3.43Å
291E51.2Low52.8Low170 Ų170117.7 Ų117.779%0.79462%0.619SS**SBendtrans-121.4-1.8-173.7-72.8-177.9167.700115.7
292L52.2Low50.4Low138 Ų138124 Ų12472%0.72365%0.648SS**SBendtrans-125.47.8-177-77.8166.4000114.7
293V42.2Very low48.2Very low103 Ų103130.6 Ų130.662%0.62468%0.675SS**  trans-101.788.6171.9-175.20000107.4E295V293-E295 VanDerWaalsContact C-N 3.32Å; V293-E295 PolarHBondContact O-N 2.88Å
294E39.7Very low46.4Very low192 Ų192137.1 Ų137.190%0.89771%0.705SS**  trans-57.5105.1153.8-79.9179.5153.800106.6
295E33.8Very low44.3Very low158 Ų158138 Ų13874%0.73871%0.712SS**  trans-46.9123.6169.4-79.8-87.3140.100108.8V293 R297V293-E295 VanDerWaalsContact C-N 3.32Å; V293-E295 PolarHBondContact O-N 2.88Å; E295-R297 PolarHBondContact O-N 3.37Å
296P36.2Very low42.3Very low96 Ų96137.7 Ų137.762%0.62372%0.718SS**  trans-63.7109.7176.326.2-31.4000108.1Q298P296-Q298 PolarHBondContact O-N 3.44Å
297R37.6Very low40.8Very low233 Ų233139.5 Ų139.588%0.87974%0.741SS**  trans-58.5105166.9-74.9-171.4-175.1-166.92.3108E295 D299E295-R297 PolarHBondContact O-N 3.37Å; R297-D299 PolarHBondContact O-N 2.91Å
298Q33.1Very low39.7Very low175 Ų175143.4 Ų143.482%0.81875%0.747SS**  trans-74.294.5166.4-68.2173.92.100107.3P296P296-Q298 PolarHBondContact O-N 3.44Å
299D36Very low38.7Very low146 Ų146146.2 Ų146.278%0.78177%0.768SS**  trans-11595.8153.4-68.7-42.4000105.6R297R297-D299 PolarHBondContact O-N 2.91Å
300G34.4Very low38.2Very low60 Ų60146.5 Ų146.562%0.61978%0.778SS**  trans-69.4135.415900000108.4
301D36.4Very low37.8Very low166 Ų166146.3 Ų146.389%0.88878%0.777SS**  -176.1142.8114.4-85.4-27.5000110.8
302E35.2Very low37.1Very low195 Ų195144.4 Ų144.491%0.91178%0.779SS**  trans73108.3161-88172.6162.200122.3
303F31.4Very low36.4Very low190 Ų190145.3 Ų145.383%0.83378%0.784SS**  trans-81.7120.6164.5176.3-87.5000109.6
304E36.6Very low36.2Very low181 Ų181149.3 Ų149.385%0.84680%0.795SS**  trans-163.5102.6139.8-118.3167.3-178.400113.2
305A34.9Very low35.8Very low72 Ų72149 Ų14960%0.59579%0.794SS**  trans30.8116.213400000120.4
306L34.1Very low35.8Very low166 Ų166149.1 Ų149.187%0.86980%0.797SS**  171.6127.8103.4-119.581.4000111.6
307A36Very low35.9Very low94 Ų94150.3 Ų150.378%0.77780%0.804SS**  trans50.4124.8145.600000122.2
308D36.9Very low35.8Very low144 Ų144144 Ų14477%0.7780%0.796SS**  trans101.4131.9145.7-131.311.2000118.9
309D36.7Very low36Very low145 Ų145140.4 Ų140.478%0.77579%0.79SS**  trans75131162.4-59.5-44.5000123.1
310G38.5Very low36.1Very low70 Ų70138.3 Ų138.372%0.72278%0.783SS**  trans98.696.5140.700000117.3
311H39.9Very low36.6Very low179 Ų179141.1 Ų141.183%0.82978%0.784SS**  trans-37.7134.9156-97.2-87000112.4L313H311-L313 VanDerWaalsContact C-N 3.31Å; H311-L313 PolarHBondContact O-N 3.37Å
312P37.4Very low36.8Very low130 Ų130137.5 Ų137.584%0.84478%0.776SS**  trans-72.292.2171.719.6-15.3000108.7Q314P312-Q314 PolarHBondContact O-N 3.22Å
313L37.8Very low37Very low156 Ų156138.8 Ų138.882%0.81777%0.773SS**  trans-68.3106.7159.6-76174.6000106.3H311 E315H311-L313 VanDerWaalsContact C-N 3.31Å; H311-L313 PolarHBondContact O-N 3.37Å; L313-E315 PolarHBondContact O-N 3.27Å
314Q37.4Very low37.6Very low187 Ų187133.4 Ų133.487%0.87475%0.752SS**  trans-42.2111.8166-170.7164.79.300109.1P312 M316P312-Q314 PolarHBondContact O-N 3.22Å; Q314-M316 PolarHBondContact O-N 3.05Å
315E31.9Very low38Very low185 Ų185130 Ų13086%0.86474%0.74SS**  trans-59.7101.2-175.2-67.2178.417700109.4L313L313-E315 PolarHBondContact O-N 3.27Å
316M33.7Very low38.6Very low162 Ų162131.8 Ų131.880%0.79874%0.743SS**  trans-66.5129.6155.5-67.5-70.3-63.300105.7Q314 S318Q314-M316 PolarHBondContact O-N 3.05Å; M316-S318 PolarHBondContact O-N 2.92Å
317P37.9Very low39Very low120 Ų120128.3 Ų128.378%0.77973%0.726SS**  trans-58.1110.8176.322.6-31.4000108.1S319P317-S319 PolarHBondContact O-N 2.92Å
318S34.8Very low39.7Very low101 Ų101128.1 Ų128.171%0.70672%0.724SS**  trans-61.7111.1178.2-168.60000107.2M316 T320M316-S318 PolarHBondContact O-N 2.92Å; S318-T320 PolarHBondContact O-N 2.84Å
319S38.8Very low40.3Very low100 Ų100126 Ų12670%0.69973%0.726SS**SBendtrans-71.568.4-178.6168.30000110.3P317P317-S319 PolarHBondContact O-N 2.92Å
320T36.9Very low40.8Very low101 Ų101125.1 Ų125.162%0.6272%0.72SS**SBendtrans-159.9116.2163.4470000104.6S318S318-T320 PolarHBondContact O-N 2.84Å
321N45Very low40.7Very low120 Ų120127.6 Ų127.664%0.64271%0.712SS**  trans8841-176-40.6-27.3000115.7R323N321-R323 PolarHBondContact O-N 2.74Å
322A41.7Very low40.9Very low89 Ų89124 Ų12474%0.73670%0.704SS**  trans-66.391158.700000108.3L324A322-L324 PolarHBondContact O-N 2.72Å
323R38.8Very low41.4Very low222 Ų222123.8 Ų123.884%0.83870%0.703SS**  trans-47.4104.8168.2-163.3177.8176.1109-1.1107.2N321 D325N321-R323 PolarHBondContact O-N 2.74Å; R323-D325 VanDerWaalsContact C-N 3.28Å; R323-D325 PolarHBondContact O-N 3.1Å
324L45Very low41.4Very low77 Ų77122.3 Ų122.340%0.40370%0.7SS.*  trans-71.892.3175.4-67173.8000106.4L176 F179 A322 V326L176-L324 HydrophobicContact CD2-CD1 4.44Å; F179-L324 HydrophobicContact CD1-CD1 3.83Å; F179-L324 HydrophobicContact CD1-CD2 4.17Å; F179-L324 HydrophobicContact CE1-CD1 3.82Å; F179-L324 HydrophobicContact CE1-CD2 3.37Å; F179-L324 HydrophobicContact CE1-CG 4.24Å; F179-L324 HydrophobicContact CZ-CD2 3.56Å; A322-L324 PolarHBondContact O-N 2.72Å; L324-V326 WeakPolarHBondContact O-CG2 3.3Å; L324-V326 PolarHBondContact O-N 3.42Å
325D44.6Very low41.5Very low109 Ų109120.4 Ų120.458%0.58370%0.695SS**  trans-62.7102.4167.4-108.4-6.2000107.4R323 N327R323-D325 VanDerWaalsContact C-N 3.28Å; R323-D325 PolarHBondContact O-N 3.1Å; D325-N327 PolarHBondContact O-N 2.89Å
326V46.7Very low41.7Very low110 Ų110117.9 Ų117.967%0.66768%0.683SS**  trans-7945.7-178.3-153.50000110.1L324 A328L324-V326 WeakPolarHBondContact O-CG2 3.3Å; L324-V326 PolarHBondContact O-N 3.42Å; V326-A328 PolarHBondContact O-N 2.97Å
327N43Very low42Very low94 Ų94116.7 Ų116.750%0.50368%0.68SS.*  trans-83.5107.8169.7-80.8-34.5000108.2D325 A329 I330D325-N327 PolarHBondContact O-N 2.89Å; N327-A329 PolarHBondContact O-N 2.94Å; N327-I330 HydrophobicContact CB-CD1 4.26Å; N327-I330 PolarHBondContact O-N 3.17Å; N327-I330 VanDerWaalsContact O-N 3.14Å
328A50.1Low42.1Very low90 Ų90118.3 Ų118.374%0.74467%0.67SS**THydrogen-bonded Turntrans-55.3-12.7-176.300000114.9V326V326-A328 PolarHBondContact O-N 2.97Å
329A50.5Low42.3Very low98 Ų98119.2 Ų119.281%0.8167%0.672SS**THydrogen-bonded Turntrans-87.5-11.4-178.700000115.1N327N327-A329 PolarHBondContact O-N 2.94Å
330I45.5Very low42.4Very low127 Ų127118.5 Ų118.565%0.65166%0.66SS**SBendtrans-96.2-5.8-176.7-59172.4000111.9N327 P332N327-I330 HydrophobicContact CB-CD1 4.26Å; N327-I330 PolarHBondContact O-N 3.17Å; N327-I330 VanDerWaalsContact O-N 3.14Å; I330-P332 WeakPolarHBondContact O-CD 3.32Å
331F37.9Very low42.7Very low123 Ų123120.8 Ų120.854%0.53967%0.668SS.*SBendtrans-75.3120.5176.8-67.7-79000110.3
332P43.9Very low43Very low102 Ų102116.9 Ų116.966%0.66266%0.656SS**PPolyproline II helixtrans-57.5143.3165.625.4-31.8000108.2I330 V334I330-P332 WeakPolarHBondContact O-CD 3.32Å; P332-V334 PolarHBondContact O-N 3.28Å
333P47.4Very low43.7Very low127 Ų127116.5 Ų116.583%0.82564%0.641SS**PPolyproline II helixtrans-53.1121.2175.523.2-32.3000107.7L335P333-L335 VanDerWaalsContact C-N 3.29Å; P333-L335 PolarHBondContact O-N 2.9Å
334V39.1Very low44.3Very low124 Ų124112.2 Ų112.275%0.75263%0.631SS**  trans-57.197.4175.3175.50000106.5P332 E336P332-V334 PolarHBondContact O-N 3.28Å; V334-E336 HydrophobicContact CG1-CG 4.12Å; V334-E336 PolarHBondContact O-N 3.44Å
335L39.3Very low45.2Very low148 Ų148115.1 Ų115.178%0.77564%0.642SS**  trans-65.5102.3154-170.469.3000103.2P333 D337P333-L335 VanDerWaalsContact C-N 3.29Å; P333-L335 PolarHBondContact O-N 2.9Å; L335-D337 PolarHBondContact O-N 3.26Å
336E36Very low46.2Very low132 Ų132115.8 Ų115.862%0.61764%0.643SS**  trans-57.784.8169.6-72.6-175.6141.300107.2V334 R338V334-E336 HydrophobicContact CG1-CG 4.12Å; V334-E336 PolarHBondContact O-N 3.44Å; E336-R338 PolarHBondContact O-N 3.21Å; E336-R338 IonicContact OE1-NH1 2.65Å; E336-R338 PolarHBondContact OE1-NH1 3.13Å; E336-R338 IonicContact OE2-NH1 3.47Å; E336-R338 PolarHBondContact OE2-NH1 2.83Å
337D39.3Very low47Very low137 Ų137116 Ų11673%0.73364%0.64SS**  trans-69.162.6150.3-84.40.3000106L335 V339L335-D337 PolarHBondContact O-N 3.26Å; D337-V339 PolarHBondContact O-N 3.33Å
338R39.3Very low47.9Very low153 Ų153115.9 Ų115.958%0.57764%0.639SS**  trans-57.199.5136.9-84-175.4163.597.72.2103E336 D340E336-R338 PolarHBondContact O-N 3.21Å; E336-R338 IonicContact OE1-NH1 2.65Å; E336-R338 PolarHBondContact OE1-NH1 3.13Å; E336-R338 IonicContact OE2-NH1 3.47Å; E336-R338 PolarHBondContact OE2-NH1 2.83Å; R338-D340 PolarHBondContact O-N 3.08Å
339V40.5Very low48.8Very low121 Ų121117.8 Ų117.873%0.73363%0.633SS**  trans-60.479.4148.3-83.10000105.3D337 L341D337-V339 PolarHBondContact O-N 3.33Å; V339-L341 PolarHBondContact O-N 3.1Å
340D39.3Very low49.7Very low85 Ų85119.5 Ų119.546%0.45562%0.624SS.*  trans-54.3123.1162.6-75.1-32.5000104R338 G342 D343R338-D340 PolarHBondContact O-N 3.08Å; D340-G342 PolarHBondContact O-N 3.49Å; D340-D343 PolarHBondContact O-N 3.37Å
341L43.6Very low50.7Low149 Ų149116.7 Ų116.778%0.7862%0.62SS**Hα-helixtrans-53.6-19.8175.3-78125.3000111.3V339 E345V339-L341 PolarHBondContact O-N 3.1Å; L341-E345 PolarHBondContact O-N 2.9Å
342G51.8Low51.9Low38 Ų38116.3 Ų116.339%0.39262%0.618SS.*Hα-helixtrans-68.4-32.317000000115.3D340 Q344 E345 M346D340-G342 PolarHBondContact O-N 3.49Å; G342-Q344 VanDerWaalsContact C-N 3.35Å; G342-E345 PolarHBondContact O-N 3.08Å; G342-M346 PolarHBondContact O-N 3.21Å
343D57Low52.7Low81 Ų81118.5 Ų118.543%0.43362%0.621SS.*Hα-helixtrans-73.2-30.4178.5-80.2-5.8000111.7D340 L347D340-D343 PolarHBondContact O-N 3.37Å; D343-L347 VanDerWaalsContact O-CB 3.31Å; D343-L347 WeakPolarHBondContact O-CB 3.24Å; D343-L347 PolarHBondContact O-N 2.94Å
344Q51Low53.2Low131 Ų131121.5 Ų121.561%0.61262%0.624SS**Hα-helixtrans-73.6-33.2174.6-148.2-177.4-45.600111.6G342 L348G342-Q344 VanDerWaalsContact C-N 3.35Å; Q344-L348 HydrophobicContact CG-CD1 4.4Å; Q344-L348 WeakPolarHBondContact O-CB 3.5Å; Q344-L348 VanDerWaalsContact O-CD1 3.29Å; Q344-L348 WeakPolarHBondContact O-CD1 3.36Å; Q344-L348 PolarHBondContact O-N 2.98Å
345E62.7Low54Low139 Ų139120 Ų12065%0.6561%0.612SS**Hα-helixtrans-67.9-45.8170.4-74.3-179.3168.600110.8L341 G342 L347 L348 E349L341-E345 PolarHBondContact O-N 2.9Å; G342-E345 PolarHBondContact O-N 3.08Å; E345-L347 PolarHBondContact O-N 2.99Å; E345-L348 PolarHBondContact O-N 3.45Å; E345-E349 VanDerWaalsContact O-CB 3.23Å; E345-E349 WeakPolarHBondContact O-CB 3.23Å; E345-E349 PolarHBondContact O-N 3.43Å
346M66.1Low55.3Low122 Ų122118 Ų11860%0.60160%0.602SS**Hα-helixtrans-63.1-39.1175.4-102.3-178.551.100113.2G342 E349 E350G342-M346 PolarHBondContact O-N 3.21Å; M346-E349 PolarHBondContact O-N 3.05Å; M346-E350 VanDerWaalsContact O-CB 3.24Å; M346-E350 WeakPolarHBondContact O-CB 3.06Å; M346-E350 PolarHBondContact O-N 2.97Å
347L64Low56.7Low116 Ų116115.3 Ų115.361%0.60760%0.595SS**Hα-helixtrans-71.8-31.2175.1-97.9142000112.9D343 E345 A351D343-L347 VanDerWaalsContact O-CB 3.31Å; D343-L347 WeakPolarHBondContact O-CB 3.24Å; D343-L347 PolarHBondContact O-N 2.94Å; E345-L347 PolarHBondContact O-N 2.99Å; L347-A351 WeakPolarHBondContact O-CB 3.31Å; L347-A351 PolarHBondContact O-N 3.45Å
348L62.5Low58.1Low90 Ų90113.1 Ų113.147%0.47159%0.586SS.*Hα-helixtrans-70-45.5169.4-104.389.2000110.1Q344 E345 E350 A351 F352Q344-L348 HydrophobicContact CG-CD1 4.4Å; Q344-L348 WeakPolarHBondContact O-CB 3.5Å; Q344-L348 VanDerWaalsContact O-CD1 3.29Å; Q344-L348 WeakPolarHBondContact O-CD1 3.36Å; Q344-L348 PolarHBondContact O-N 2.98Å; E345-L348 PolarHBondContact O-N 3.45Å; L348-E350 PolarHBondContact O-N 3.28Å; L348-A351 CarbonylContact O-C 3.59Å; L348-A351 PolarHBondContact O-N 3.43Å; L348-F352 HydrophobicContact CB-CD2 4.33Å; L348-F352 HydrophobicContact CD2-CD2 4.33Å; L348-F352 HydrophobicContact CD2-CE2 3.96Å; L348-F352 HydrophobicContact CG-CD2 4.26Å; L348-F352 HydrophobicContact CG-CE2 4.05Å; L348-F352 WeakPolarHBondContact O-CB 3.39Å; L348-F352 WeakPolarHBondContact O-CD2 3.09Å; L348-F352 PolarHBondContact O-N 2.77Å
349E68.2Low59.8Low131 Ų131107.9 Ų107.961%0.61258%0.576SS**Hα-helixtrans-64.8-41.1-178.6-158.8154.8-152.900110.6E345 M346 F352 M353E345-E349 VanDerWaalsContact O-CB 3.23Å; E345-E349 WeakPolarHBondContact O-CB 3.23Å; E345-E349 PolarHBondContact O-N 3.43Å; M346-E349 PolarHBondContact O-N 3.05Å; E349-F352 CarbonylContact O-C 3.6Å; E349-F352 PolarHBondContact O-N 3.01Å; E349-M353 HydrophobicContact CG-CG 4.48Å; E349-M353 WeakPolarHBondContact O-CA 3.28Å; E349-M353 WeakPolarHBondContact O-CB 3.24Å; E349-M353 WeakPolarHBondContact O-CG 3.27Å; E349-M353 PolarHBondContact O-N 3.29Å
350E69.6Low61.4Low133 Ų133107 Ų10762%0.62157%0.567SS**Hα-helixtrans-66.7-38171.7-168.5177.2-170.200112.5M346 L348 F352M346-E350 VanDerWaalsContact O-CB 3.24Å; M346-E350 WeakPolarHBondContact O-CB 3.06Å; M346-E350 PolarHBondContact O-N 2.97Å; L348-E350 PolarHBondContact O-N 3.28Å; E350-F352 VanDerWaalsContact C-N 3.32Å; E350-F352 PolarHBondContact O-N 3.37Å
351A67Low63Low69 Ų69109.5 Ų109.557%0.5757%0.574SS**Hα-helixtrans-73.5-20.3177.300000114.2L347 L348L347-A351 WeakPolarHBondContact O-CB 3.31Å; L347-A351 PolarHBondContact O-N 3.45Å; L348-A351 CarbonylContact O-C 3.59Å; L348-A351 PolarHBondContact O-N 3.43Å
352F62.5Low64.6Low114 Ų114107.4 Ų107.450%0.556%0.56SS.*Hα-helixtrans-108.4-8.4177.8-73.5-73.4000113.4L348 E349 E350 E354 D355 V357L348-F352 HydrophobicContact CB-CD2 4.33Å; L348-F352 HydrophobicContact CD2-CD2 4.33Å; L348-F352 HydrophobicContact CD2-CE2 3.96Å; L348-F352 HydrophobicContact CG-CD2 4.26Å; L348-F352 HydrophobicContact CG-CE2 4.05Å; L348-F352 WeakPolarHBondContact O-CB 3.39Å; L348-F352 WeakPolarHBondContact O-CD2 3.09Å; L348-F352 PolarHBondContact O-N 2.77Å; E349-F352 CarbonylContact O-C 3.6Å; E349-F352 PolarHBondContact O-N 3.01Å; E350-F352 VanDerWaalsContact C-N 3.32Å; E350-F352 PolarHBondContact O-N 3.37Å; F352-E354 VanDerWaalsContact C-N 3.26Å; F352-E354 PolarHBondContact O-N 3.23Å; F352-D355 CarbonylContact O-C 3.57Å; F352-D355 PolarHBondContact O-N 2.8Å; F352-D355 VanDerWaalsContact O-O 3.11Å; F352-V357 HydrophobicContact CD1-CG2 3.76Å; F352-V357 HydrophobicContact CE1-CG2 4.14Å
353M61.5Low65.8Low148 Ų148108.2 Ų108.273%0.72956%0.563SS**SBendtrans-68.6-23176.9-95.8-156.3-49.900113.4E349E349-M353 HydrophobicContact CG-CG 4.48Å; E349-M353 WeakPolarHBondContact O-CA 3.28Å; E349-M353 WeakPolarHBondContact O-CB 3.24Å; E349-M353 WeakPolarHBondContact O-CG 3.27Å; E349-M353 PolarHBondContact O-N 3.29Å
354E57.1Low66.4Low191 Ų191110.9 Ų110.989%0.89357%0.573SS**SBendtrans-96-10.3175.8-76.4-177.8159.600113.7F352F352-E354 VanDerWaalsContact C-N 3.26Å; F352-E354 PolarHBondContact O-N 3.23Å
355D56.4Low67.5Low91 Ų91108 Ų10849%0.48756%0.564SS.*  trans-121.787.9-176.3-147.517.5000107.5F352 V357F352-D355 CarbonylContact O-C 3.57Å; F352-D355 PolarHBondContact O-N 2.8Å; F352-D355 VanDerWaalsContact O-O 3.11Å; D355-V357 WeakPolarHBondContact O-CG2 3.23Å; D355-V357 PolarHBondContact O-N 3.08Å
356D66Low67.7Low106 Ų106108 Ų10857%0.56756%0.564SS**  trans-72.973.1178.9-162.8-10.2000109.7V358 A359 D360D356-V358 PolarHBondContact O-N 2.84Å; D356-A359 HydrophobicContact CB-CB 4.07Å; D356-A359 PolarHBondContact O-N 3.47Å; D356-A359 PolarHBondContact OD1-N 3.48Å; D356-D360 PolarHBondContact O-N 2.9Å
357V65.7Low67.4Low77 Ų77106.7 Ų106.747%0.46757%0.567SS.*Hα-helixtrans-58.7-23-175-1340000112F352 D355 F361F352-V357 HydrophobicContact CD1-CG2 3.76Å; F352-V357 HydrophobicContact CE1-CG2 4.14Å; D355-V357 WeakPolarHBondContact O-CG2 3.23Å; D355-V357 PolarHBondContact O-N 3.08Å; V357-F361 WeakPolarHBondContact O-CB 3.34Å; V357-F361 PolarHBondContact O-N 3.01Å; V357-F361 VanDerWaalsContact O-N 3.12Å
358V69.1Low67.2Low90 Ų90105.8 Ų105.855%0.54557%0.566SS.*Hα-helixtrans-80.3-43.9177.9-177.80000110.3D356 F361 E362D356-V358 PolarHBondContact O-N 2.84Å; V358-F361 PolarHBondContact O-N 3.47Å; V358-E362 HydrophobicContact CG1-CG 4.38Å; V358-E362 VanDerWaalsContact O-CB 3.31Å; V358-E362 WeakPolarHBondContact O-CB 3.36Å; V358-E362 VanDerWaalsContact O-CG 3.31Å; V358-E362 WeakPolarHBondContact O-CG 3.44Å; V358-E362 PolarHBondContact O-N 2.84Å
359A73.9Confident66.7Low44 Ų44109.7 Ų109.736%0.36458%0.582SS.*Hα-helixtrans-64.4-42.4176.100000112D356 E362 A363D356-A359 HydrophobicContact CB-CB 4.07Å; D356-A359 PolarHBondContact O-N 3.47Å; D356-A359 PolarHBondContact OD1-N 3.48Å; A359-E362 PolarHBondContact O-N 3.33Å; A359-A363 VanDerWaalsContact O-CB 3.3Å; A359-A363 WeakPolarHBondContact O-CB 3.21Å; A359-A363 PolarHBondContact O-N 2.86Å
360D74.2Confident65.9Low103 Ų103111.9 Ų111.955%0.55159%0.592SS**Hα-helixtrans-67.7-39.4176.4-83.2-4.1000111.6D356 A363 E364D356-D360 PolarHBondContact O-N 2.9Å; D360-A363 PolarHBondContact O-N 3.02Å; D360-E364 WeakPolarHBondContact O-CB 3.29Å; D360-E364 PolarHBondContact O-N 2.92Å
361F74.1Confident65.3Low136 Ų136113.6 Ų113.660%0.59660%0.6SS**Hα-helixtrans-68.5-37.1174.8-174.7-101.1000112.4V357 V358 T365V357-F361 WeakPolarHBondContact O-CB 3.34Å; V357-F361 PolarHBondContact O-N 3.01Å; V357-F361 VanDerWaalsContact O-N 3.12Å; V358-F361 PolarHBondContact O-N 3.47Å; F361-T365 HydrophobicContact CD1-CG2 4.06Å; F361-T365 HydrophobicContact CD2-CG2 4.36Å; F361-T365 HydrophobicContact CE1-CG2 3.69Å; F361-T365 HydrophobicContact CE2-CG2 4.02Å; F361-T365 HydrophobicContact CG-CG2 4.39Å; F361-T365 HydrophobicContact CZ-CG2 3.67Å; F361-T365 VanDerWaalsContact O-CB 3.28Å; F361-T365 WeakPolarHBondContact O-CB 3.34Å; F361-T365 VanDerWaalsContact O-CG2 3.22Å; F361-T365 WeakPolarHBondContact O-CG2 3.46Å; F361-T365 PolarHBondContact O-N 3.23Å; F361-T365 PolarHBondContact O-OG1 2.85Å
362E77.2Confident64.4Low106 Ų106116.2 Ų116.250%0.49561%0.612SS.*Hα-helixtrans-68.2-36.5174-75.2-176.618000111.6V358 A359 T365 Q366V358-E362 HydrophobicContact CG1-CG 4.38Å; V358-E362 VanDerWaalsContact O-CB 3.31Å; V358-E362 WeakPolarHBondContact O-CB 3.36Å; V358-E362 VanDerWaalsContact O-CG 3.31Å; V358-E362 WeakPolarHBondContact O-CG 3.44Å; V358-E362 PolarHBondContact O-N 2.84Å; A359-E362 PolarHBondContact O-N 3.33Å; E362-T365 WeakPolarHBondContact CA-OG1 3.47Å; E362-T365 PolarHBondContact O-OG1 3.44Å; E362-Q366 VanDerWaalsContact O-CB 3.24Å; E362-Q366 WeakPolarHBondContact O-CB 3.3Å; E362-Q366 VanDerWaalsContact O-CG 3.28Å; E362-Q366 WeakPolarHBondContact O-CG 3.46Å; E362-Q366 PolarHBondContact O-N 2.88Å
363A75.3Confident63.9Low54 Ų54116.7 Ų116.745%0.44662%0.623SS.*Hα-helixtrans-70.6-38.617400000112.5A359 D360 S367A359-A363 VanDerWaalsContact O-CB 3.3Å; A359-A363 WeakPolarHBondContact O-CB 3.21Å; A359-A363 PolarHBondContact O-N 2.86Å; D360-A363 PolarHBondContact O-N 3.02Å; A363-S367 VanDerWaalsContact O-CB 3.28Å; A363-S367 WeakPolarHBondContact O-CB 3.38Å; A363-S367 PolarHBondContact O-N 3.45Å; A363-S367 PolarHBondContact O-OG 2.86Å
364E70.9Confident63.5Low138 Ų138117.6 Ų117.665%0.64563%0.626SS**Hα-helixtrans-72.3-33.9176-142.1176.1-160.600111D360 S367 V368D360-E364 WeakPolarHBondContact O-CB 3.29Å; D360-E364 PolarHBondContact O-N 2.92Å; E364-S367 PolarHBondContact O-OG 3.25Å; E364-V368 WeakPolarHBondContact O-CB 3.26Å; E364-V368 WeakPolarHBondContact O-CG2 3.32Å; E364-V368 PolarHBondContact O-N 3.23Å
365T73Confident63.6Low70 Ų70116.8 Ų116.843%0.42963%0.627SS.*Hα-helixtrans-77.7-30.2174.9530000113.7F361 E362F361-T365 HydrophobicContact CD1-CG2 4.06Å; F361-T365 HydrophobicContact CD2-CG2 4.36Å; F361-T365 HydrophobicContact CE1-CG2 3.69Å; F361-T365 HydrophobicContact CE2-CG2 4.02Å; F361-T365 HydrophobicContact CG-CG2 4.39Å; F361-T365 HydrophobicContact CZ-CG2 3.67Å; F361-T365 VanDerWaalsContact O-CB 3.28Å; F361-T365 WeakPolarHBondContact O-CB 3.34Å; F361-T365 VanDerWaalsContact O-CG2 3.22Å; F361-T365 WeakPolarHBondContact O-CG2 3.46Å; F361-T365 PolarHBondContact O-N 3.23Å; F361-T365 PolarHBondContact O-OG1 2.85Å; E362-T365 WeakPolarHBondContact CA-OG1 3.47Å; E362-T365 PolarHBondContact O-OG1 3.44Å
366Q66.7Low64Low138 Ų138117.3 Ų117.365%0.64563%0.634SS**Hα-helixtrans-78.4-33.7172.5-76.6178.613.500112.9E362 V368 E369E362-Q366 VanDerWaalsContact O-CB 3.24Å; E362-Q366 WeakPolarHBondContact O-CB 3.3Å; E362-Q366 VanDerWaalsContact O-CG 3.28Å; E362-Q366 WeakPolarHBondContact O-CG 3.46Å; E362-Q366 PolarHBondContact O-N 2.88Å; Q366-V368 VanDerWaalsContact C-N 3.31Å; Q366-E369 WeakPolarHBondContact O-CB 3.45Å; Q366-E369 PolarHBondContact O-N 3.07Å
367S61Low64.1Low95 Ų95120.1 Ų120.166%0.66465%0.648SS**Hα-helixtrans-77.2-18.8176.2590000113.4A363 E364 E369A363-S367 VanDerWaalsContact O-CB 3.28Å; A363-S367 WeakPolarHBondContact O-CB 3.38Å; A363-S367 PolarHBondContact O-N 3.45Å; A363-S367 PolarHBondContact O-OG 2.86Å; E364-S367 PolarHBondContact O-OG 3.25Å; S367-E369 PolarHBondContact O-N 2.71Å
368V60.2Low64.1Low98 Ų98121.1 Ų121.159%0.59466%0.656SS**THydrogen-bonded Turntrans-85.916.9170.2179.20000111.5E364 Q366 E370E364-V368 WeakPolarHBondContact O-CB 3.26Å; E364-V368 WeakPolarHBondContact O-CG2 3.32Å; E364-V368 PolarHBondContact O-N 3.23Å; Q366-V368 VanDerWaalsContact C-N 3.31Å; V368-E370 WeakPolarHBondContact O-CA 3.27Å; V368-E370 PolarHBondContact O-N 2.93Å
369E51.3Low64Low171 Ų171119.4 Ų119.480%0.79966%0.656SS**  trans-45.5108.1175.8-130.2177.7-179.600110.4Q366 S367 Q371Q366-E369 WeakPolarHBondContact O-CB 3.45Å; Q366-E369 PolarHBondContact O-N 3.07Å; S367-E369 PolarHBondContact O-N 2.71Å; E369-Q371 PolarHBondContact O-N 3.45Å; E369-Q371 VanDerWaalsContact O-N 3.09Å
370E52.4Low63.8Low178 Ų178129.5 Ų129.583%0.83269%0.685SS**  trans-64.1111.9-165.6-63175148.100107.9V368V368-E370 WeakPolarHBondContact O-CA 3.27Å; V368-E370 PolarHBondContact O-N 2.93Å
371Q55.4Low63.3Low168 Ų168131.3 Ų131.379%0.78570%0.695SS**  trans-51.2137.7162.6-67.5-149.7-0.900108.2E369 V373E369-Q371 PolarHBondContact O-N 3.45Å; E369-Q371 VanDerWaalsContact O-N 3.09Å; Q371-V373 PolarHBondContact O-N 2.94Å
372P49.8Very low62.8Low125 Ų125128.6 Ų128.681%0.81269%0.692SS**  trans-60.798.3-177.225.2-33.8000109.3E374P372-E374 PolarHBondContact O-N 2.86Å; P372-E374 VanDerWaalsContact O-N 3.09Å
373V51.7Low62.2Low123 Ų123135.6 Ų135.675%0.74571%0.714SS**  trans-68.9107.3170.3-179.70000106.3Q371 L375Q371-V373 PolarHBondContact O-N 2.94Å; V373-L375 PolarHBondContact O-N 3.45Å
374E51.6Low61.9Low168 Ų168138 Ų13879%0.78572%0.723SS**  trans-53.9107.8168.8-91.1177.6158.700109.2P372 T376P372-E374 PolarHBondContact O-N 2.86Å; P372-E374 VanDerWaalsContact O-N 3.09Å; E374-T376 PolarHBondContact O-N 2.9Å
375L60.7Low61.4Low173 Ų173133.7 Ų133.791%0.90672%0.716SS**  trans-73.818.3177.7-76.7163.3000113.2V373 L377V373-L375 PolarHBondContact O-N 3.45Å; L375-L377 PolarHBondContact O-N 3.49Å
376T63.3Low60.9Low103 Ų103137.6 Ų137.663%0.63274%0.743SS**  trans-90.597.3168.450.10000108.4E374 P378E374-T376 PolarHBondContact O-N 2.9Å; T376-P378 WeakPolarHBondContact O-CD 3.11Å; T376-P378 VanDerWaalsContact O-N 3.15Å
377L68.5Low60.9Low165 Ų165134.8 Ų134.886%0.86475%0.75SS**PPolyproline II helixtrans-49.9122.2165.7-77.3162000108.1L375 G379L375-L377 PolarHBondContact O-N 3.49Å; L377-G379 PolarHBondContact O-N 3.38Å
378P65.5Low60.8Low98 Ų98132.8 Ų132.864%0.63674%0.739SS**PPolyproline II helixtrans-59.8118.5177.1-4.711.1000107.9T376 S382T376-P378 WeakPolarHBondContact O-CD 3.11Å; T376-P378 VanDerWaalsContact O-N 3.15Å; P378-S382 VanDerWaalsContact CB-CB 3.43Å
379G68.6Low60.6Low53 Ų53135.8 Ų135.855%0.54675%0.75SS.*PPolyproline II helixtrans-57.9164173.500000110.8L377 N381 S382L377-G379 PolarHBondContact O-N 3.38Å; G379-N381 PolarHBondContact O-N 2.85Å; G379-S382 WeakPolarHBondContact O-CB 3.41Å; G379-S382 PolarHBondContact O-N 3.32Å
380W68.7Low61.1Low256 Ų256133.9 Ų133.997%0.9775%0.75SS**THydrogen-bonded Turntrans-49.5-14.6-179.1-159.1-82.2000114.7
381N62.8Low61.5Low142 Ų142135.8 Ų135.876%0.75975%0.75SS**THydrogen-bonded Turntrans-90.7-8.3-176.9-50.116.3000113.1G379G379-N381 PolarHBondContact O-N 2.85Å
382S63.7Low61.5Low78 Ų78133.3 Ų133.355%0.54575%0.748SS.*THydrogen-bonded Turntrans-88.44.7-174-1620000114.9P378 G379P378-S382 VanDerWaalsContact CB-CB 3.43Å; G379-S382 WeakPolarHBondContact O-CB 3.41Å; G379-S382 PolarHBondContact O-N 3.32Å
383W65.8Low61.8Low254 Ų254136.3 Ų136.396%0.96275%0.752SS**THydrogen-bonded Turntrans-84.5-5.2175.7-96.517.7000114.4G385W383-G385 PolarHBondContact O-N 3.3Å
384V69.1Low61.8Low104 Ų104136.2 Ų136.263%0.6375%0.751SS**SBendtrans-86.2110179.1-163.50000108.5A388V384-A388 HydrophobicContact CB-CB 4.06Å; V384-A388 HydrophobicContact CG1-CB 3.13Å
385G58.9Low61.5Low48 Ų48136.2 Ų136.250%0.49575%0.749SS.*  trans-55.1165.4-173.900000114.8W383 G387 A388W383-G385 PolarHBondContact O-N 3.3Å; G385-G387 PolarHBondContact O-N 3.38Å; G385-A388 PolarHBondContact O-N 2.91Å
386P63.8Low60.6Low152 Ų152135.3 Ų135.399%0.98774%0.744SS**THydrogen-bonded Turntrans-57.7101.8-177.824-32.8000110.1
387G66.1Low59.8Low78 Ų78137.1 Ų137.180%0.80475%0.746SS**THydrogen-bonded Turntrans151.1-13.4-17400000115.5G385G385-G387 PolarHBondContact O-N 3.38Å
388A59.4Low58.3Low53 Ų53135.8 Ų135.844%0.43875%0.745SS.*  trans-87.8125.3174.700000113.2V384 G385 V390V384-A388 HydrophobicContact CB-CB 4.06Å; V384-A388 HydrophobicContact CG1-CB 3.13Å; G385-A388 PolarHBondContact O-N 2.91Å; A388-V390 PolarHBondContact O-N 2.88Å
389I56.6Low57Low161 Ų161136.9 Ų136.983%0.82676%0.755SS**  trans-69.996.9174-57.1162.7000107.9R391I389-R391 PolarHBondContact O-N 2.83Å
390V60Low55.8Low132 Ų132139.2 Ų139.280%0.876%0.763SS**  trans-69.5113.1164.9-179.20000106.9A388A388-V390 PolarHBondContact O-N 2.88Å
391R61.5Low54.4Low217 Ų217136.1 Ų136.182%0.81976%0.756SS**PPolyproline II helixtrans-61.6129.6171.1-70.3-178.5-167.4-126.70.5107.8I389 E393I389-R391 PolarHBondContact O-N 2.83Å; R391-E393 PolarHBondContact O-N 3.44Å
392P56.5Low53.6Low116 Ų116137.6 Ų137.675%0.75376%0.764SS**PPolyproline II helixtrans-62.8124.1175.89.8-6.9000109V394P392-V394 PolarHBondContact O-N 3.29Å
393E55.8Low52.4Low188 Ų188140.5 Ų140.588%0.87978%0.778SS**PPolyproline II helixtrans-60116.9166.6-74.4-175165.300108R391 K395R391-E393 PolarHBondContact O-N 3.44Å; E393-K395 PolarHBondContact O-N 2.82Å; E393-K395 VanDerWaalsContact O-N 3.13Å
394V51.4Low51.4Low122 Ų122132.7 Ų132.774%0.73977%0.768SS**  trans-66.4110.6173.3178.10000106.9P392 D396P392-V394 PolarHBondContact O-N 3.29Å; V394-D396 PolarHBondContact O-N 2.79Å; V394-D396 VanDerWaalsContact O-N 3.13Å
395K44.3Very low49.9Very low168 Ų168137.6 Ų137.673%0.7378%0.781SS**  trans-65.9105.2165-72.7178.2175.3179.70107.6E393 E397E393-K395 PolarHBondContact O-N 2.82Å; E393-K395 VanDerWaalsContact O-N 3.13Å; K395-E397 HydrophobicContact CB-CG 4.17Å; K395-E397 PolarHBondContact O-N 3.25Å
396D43.1Very low49.4Very low153 Ų153141 Ų14182%0.81879%0.792SS**  trans-70.879.7165.2-76.9-27.3000108.7V394 T398V394-D396 PolarHBondContact O-N 2.79Å; V394-D396 VanDerWaalsContact O-N 3.13Å; D396-T398 PolarHBondContact O-N 2.92Å
397E46.1Very low48.4Very low141 Ų141138 Ų13866%0.65979%0.788SS**  trans-79111.6165.2-61.5-152.3179.700109.1K395 S399K395-E397 HydrophobicContact CB-CG 4.17Å; K395-E397 PolarHBondContact O-N 3.25Å; E397-S399 PolarHBondContact O-N 2.91Å; E397-S399 PolarHBondContact O-OG 2.99Å
398T36Very low47.6Very low137 Ų137140 Ų14084%0.8479%0.785SS**  trans-1799.9157.750.60000113.6D396D396-T398 PolarHBondContact O-N 2.92Å
399S39.8Very low47.5Very low121 Ų121142.2 Ų142.285%0.84680%0.797SS**  trans-116104.8167.1-67.10000108.8E397E397-S399 PolarHBondContact O-N 2.91Å; E397-S399 PolarHBondContact O-OG 2.99Å
400S41.7Very low47.7Very low103 Ų103140.6 Ų140.672%0.7280%0.797SS**  trans-75.1149.5179190000110.6
401K39.4Very low47.5Very low191 Ų191143.5 Ų143.583%0.8380%0.799SS**  trans59.2103.6158.2-64.9170.6-179.4171.40115.7
402N47.3Very low47.4Very low172 Ų172142.3 Ų142.392%0.9280%0.8SS**  -153125.4126.1-87.4-36.1000111
403V37.3Very low47.8Very low140 Ų140142.6 Ų142.685%0.84880%0.802SS**  trans-78.1121.6175.4167.30000107.9
404A45.7Very low48.4Very low90 Ų90142.4 Ų142.474%0.74480%0.801SS**  trans-148.9113.9159.200000109.7T406A404-T406 PolarHBondContact O-N 2.79Å
405K38Very low49.3Very low206 Ų206146 Ų14690%0.89681%0.806SS**  trans-66117.5171.8-77.5164.1168.8167.20109.5
406T47.3Very low50.7Low120 Ų120145.8 Ų145.874%0.73681%0.805SS**  trans-147.2120.4154.443.90000108.4A404 V408A404-T406 PolarHBondContact O-N 2.79Å; T406-V408 PolarHBondContact O-N 3.33Å
407G42.1Very low52.5Low88 Ų88146.7 Ų146.791%0.90781%0.81SS**  trans-62.1125.4-17600000112.2
408V50.1Low54.4Low120 Ų120144.2 Ų144.273%0.72780%0.804SS**  trans-112.5118.1174.8178.70000108.1T406T406-V408 PolarHBondContact O-N 3.33Å
409S58.5Low56.7Low100 Ų100145.7 Ų145.770%0.69980%0.801SS**  trans-49.4147.1176-46.60000112.5K411S409-K411 PolarHBondContact O-N 2.84Å
410P59.1Low58.9Low128 Ų128148.7 Ų148.783%0.83180%0.799SS**  trans-63.4112.5-173.625.3-32.7000111K412P410-K412 PolarHBondContact O-N 3.16Å
411K57.3Low61Low193 Ų193148.7 Ų148.784%0.83980%0.799SS**PPolyproline II helixtrans-63.2121.1168.7-72.9-178.4176.8179.90108.3S409S409-K411 PolarHBondContact O-N 2.84Å
412K58.5Low63.2Low192 Ų192145.6 Ų145.684%0.83580%0.801SS**PPolyproline II helixtrans-52.5140.1173.7-75.4175177174.60109.8P410 E414P410-K412 PolarHBondContact O-N 3.16Å; K412-E414 PolarHBondContact O-N 3.4Å
413P65Low65.3Low122 Ų122145.8 Ų145.879%0.79279%0.794SS**PPolyproline II helixtrans-61.5128178.926.1-33.3000109.8K415P413-K415 PolarHBondContact O-N 2.76Å
414E68.2Low67.6Low184 Ų184143.7 Ų143.786%0.8679%0.791SS**PPolyproline II helixtrans-58.8130.5173.4-70176.6174.100109.6K412 K416K412-E414 PolarHBondContact O-N 3.4Å; E414-K416 PolarHBondContact O-N 3.49Å
415K71Confident69.7Low197 Ų197144.3 Ų144.386%0.85778%0.782SS**  trans-65.9104.4176.3-64.7178.6-179179.30108.2P413 L417P413-K415 PolarHBondContact O-N 2.76Å; K415-L417 PolarHBondContact O-N 2.89Å
416K72.6Confident72.2Confident163 Ų163142.9 Ų142.971%0.70978%0.779SS**  trans-63.4126.5172.6-65.5-175.6-179.8-177.10108.8E414 V418E414-K416 PolarHBondContact O-N 3.49Å; K416-V418 PolarHBondContact O-N 3.36Å
417L82.4Confident74.2Confident173 Ų173141.6 Ų141.691%0.90678%0.775SS**SBendtrans-66.2-24.6-178.9-98.578.2000113.6K415K415-L417 PolarHBondContact O-N 2.89Å
418V85.5Confident76.5Confident88 Ų88141.2 Ų141.253%0.53375%0.751SS.*  trans-131.2127.7-175.7-176.50000109.7K416 F420K416-V418 PolarHBondContact O-N 3.36Å; V418-F420 HydrophobicContact CB-CE2 4.41Å; V418-F420 HydrophobicContact CG1-CD1 4.35Å; V418-F420 HydrophobicContact CG1-CD2 4.27Å; V418-F420 HydrophobicContact CG1-CE1 3.94Å; V418-F420 HydrophobicContact CG1-CE2 3.85Å; V418-F420 HydrophobicContact CG1-CZ 3.67Å
419H83Confident78.4Confident168 Ų168143.1 Ų143.178%0.77875%0.75SS**  trans-106.9108.6171.3-66.3-82.3000109
420F86.6Confident80Confident185 Ų185142.9 Ų142.981%0.81175%0.754SS**  trans-79.7134.8169.9-60.8-77.8000109.5V418V418-F420 HydrophobicContact CB-CE2 4.41Å; V418-F420 HydrophobicContact CG1-CD1 4.35Å; V418-F420 HydrophobicContact CG1-CD2 4.27Å; V418-F420 HydrophobicContact CG1-CE1 3.94Å; V418-F420 HydrophobicContact CG1-CE2 3.85Å; V418-F420 HydrophobicContact CG1-CZ 3.67Å
421S86.9Confident81.5Confident103 Ų103145.3 Ų145.372%0.7275%0.751SS**  trans-74127.4171.459.20000109.5K423S421-K423 VanDerWaalsContact C-N 3.27Å; S421-K423 PolarHBondContact O-N 3.2Å
422S85.9Confident83.1Confident125 Ų125142.6 Ų142.687%0.87474%0.741SS**  trans-88.19.2177.266.60000113.3
423K90.1Very high84.6Confident176 Ų176138.6 Ų138.677%0.76573%0.729SS**  trans-81.9133.7-176.6-64.6-176-179.5-178.80109.8S421S421-K423 VanDerWaalsContact C-N 3.27Å; S421-K423 PolarHBondContact O-N 3.2Å
424A86.6Confident85.9Confident96 Ų96137.1 Ų137.179%0.79374%0.735SS**  trans-69137.3173.400000110.7E426A424-E426 PolarHBondContact O-N 2.82Å
425N89.3Confident87.2Confident104 Ų104132.1 Ų132.156%0.55673%0.725SS**  trans-84.4112.4175.8-73.5-46.5000110.3S427 L428 K429N425-S427 VanDerWaalsContact C-N 3.26Å; N425-S427 PolarHBondContact O-N 3.03Å; N425-L428 HydrophobicContact CB-CB 4.24Å; N425-L428 HydrophobicContact CB-CD1 3.92Å; N425-L428 HydrophobicContact CB-CG 3.96Å; N425-L428 PolarHBondContact O-N 3.09Å; N425-L428 VanDerWaalsContact O-N 3.15Å; N425-K429 PolarHBondContact O-N 3.46Å
426E90.3Very high88.3Confident176 Ų176125.7 Ų125.782%0.82270%0.703SS**Hα-helixtrans-61.8-32.5-179.1-65.6-179.7172.100112.9A424 L428 K429A424-E426 PolarHBondContact O-N 2.82Å; E426-L428 VanDerWaalsContact C-N 3.31Å; E426-L428 PolarHBondContact O-N 3.46Å; E426-K429 WeakPolarHBondContact O-CB 3.43Å; E426-K429 PolarHBondContact O-N 3.42Å
427S90.2Very high89.4Confident93 Ų93120 Ų12065%0.6568%0.683SS**Hα-helixtrans-66.9-28.4177.158.30000113.8N425N425-S427 VanDerWaalsContact C-N 3.26Å; N425-S427 PolarHBondContact O-N 3.03Å
428L89.7Confident90Very high79 Ų79121.2 Ų121.241%0.41468%0.681SS.*Hα-helixtrans-80.5-24177.6-66.9-178.8000112.2N425 E426 A430 K431 Q432N425-L428 HydrophobicContact CB-CB 4.24Å; N425-L428 HydrophobicContact CB-CD1 3.92Å; N425-L428 HydrophobicContact CB-CG 3.96Å; N425-L428 PolarHBondContact O-N 3.09Å; N425-L428 VanDerWaalsContact O-N 3.15Å; E426-L428 VanDerWaalsContact C-N 3.31Å; E426-L428 PolarHBondContact O-N 3.46Å; L428-A430 PolarHBondContact O-N 2.86Å; L428-K431 PolarHBondContact O-N 2.66Å; L428-Q432 PolarHBondContact O-N 2.91Å
429K90.5Very high90.5Very high160 Ų160121.6 Ų121.670%0.69669%0.685SS**Hα-helixtrans-58.6-35.5-179.2-168.7178.2-179.7-178.90112.3N425 E426 K431 Q432N425-K429 PolarHBondContact O-N 3.46Å; E426-K429 WeakPolarHBondContact O-CB 3.43Å; E426-K429 PolarHBondContact O-N 3.42Å; K429-K431 PolarHBondContact O-N 2.86Å; K429-Q432 PolarHBondContact O-N 3.22Å
430A91.1Very high91.1Very high95 Ų95117 Ų11779%0.78566%0.663SS**THydrogen-bonded Turntrans-68.1-21.2177.100000113.9L428L428-A430 PolarHBondContact O-N 2.86Å
431K91.1Very high91.5Very high180 Ų180113.5 Ų113.578%0.78367%0.668SS**THydrogen-bonded Turntrans-95.6-13.3179-60.1-177.5180-1780112.9L428 K429L428-K431 PolarHBondContact O-N 2.66Å; K429-K431 PolarHBondContact O-N 2.86Å
432Q90.9Very high92Very high135 Ų135111.4 Ų111.463%0.63165%0.654SS**SBendtrans-89153.9176.8-69.9177.3-20.500110.2L428 K429L428-Q432 PolarHBondContact O-N 2.91Å; K429-Q432 PolarHBondContact O-N 3.22Å
433L90.6Very high92.4Very high109 Ų109111 Ų11157%0.57164%0.638SS**  trans-74.2141.8175-63.7174.5000110.4P437 F446L433-P437 HydrophobicContact CD1-CG 3.88Å; L433-F446 HydrophobicContact CD1-CD1 4.16Å; L433-F446 HydrophobicContact CD1-CE1 3.28Å; L433-F446 HydrophobicContact CD1-CE2 4.17Å; L433-F446 HydrophobicContact CD1-CZ 3.29Å
434G92.3Very high92.7Very high90 Ų90106.1 Ų106.193%0.92862%0.62SS**SBendtrans-73.5-26.8176.600000113.9
435A93.6Very high93.2Very high79 Ų79103.4 Ų103.465%0.65360%0.598SS**SBendtrans-154.7163.4178.300000110.5P437A435-P437 WeakPolarHBondContact O-CD 3.32Å
436V95.2Very high93.5Very high63 Ų63100.7 Ų100.738%0.38258%0.581SS.*PPolyproline II helixtrans-67.4124.9175.7-1780000109.6F440 Q443 F446V436-F440 HydrophobicContact CG1-CB 3.75Å; V436-F440 WeakPolarHBondContact CG1-O 3.48Å; V436-Q443 HydrophobicContact CG2-CB 3.91Å; V436-F446 HydrophobicContact CG1-CB 4.3Å
437P95.9Very high93.7Very high44 Ų4497 Ų9729%0.28656%0.564SS.*PPolyproline II helixtrans-68.3145.1178.4-2133.6000113.1L433 A435 F440 F446L433-P437 HydrophobicContact CD1-CG 3.88Å; A435-P437 WeakPolarHBondContact O-CD 3.32Å; P437-F440 PolarHBondContact O-N 2.87Å; P437-F446 HydrophobicContact CG-CD2 4.13Å; P437-F446 HydrophobicContact CG-CE2 3.96Å; P437-F446 HydrophobicContact CG-CZ 4.43Å
438F95.4Very high94Very high198 Ų198100 Ų10087%0.86856%0.561SS**THydrogen-bonded Turntrans-60.5136162.5176.8-93.8000109
439P94.4Very high94.2Very high95 Ų9599.3 Ų99.362%0.61756%0.563SS**THydrogen-bonded Turncis-9812.914.838.3-36.5000115.5
440F96.8Very high94.3Very high73 Ų7394.7 Ų94.732%0.3255%0.554SS.*  trans-79.9135.6-175-57.7-79.8000112V436 P437 A445 F446 S449V436-F440 HydrophobicContact CG1-CB 3.75Å; V436-F440 WeakPolarHBondContact CG1-O 3.48Å; P437-F440 PolarHBondContact O-N 2.87Å; F440-A445 HydrophobicContact CD1-CB 4.21Å; F440-F446 HydrophobicContact CB-CB 4.07Å; F440-F446 HydrophobicContact CD1-CB 4.4Å; F440-F446 HydrophobicContact CD2-CB 3.99Å; F440-F446 AromaticContact CD2-CD2 3.72Å; F440-F446 HydrophobicContact CD2-CD2 3.72Å; F440-F446 HydrophobicContact CD2-CG 4.34Å; F440-F446 AromaticContact CE2-CD2 3.77Å; F440-F446 HydrophobicContact CE2-CD2 3.77Å; F440-F446 HydrophobicContact CG-CB 3.89Å; F440-F446 HydrophobicContact CG-CD2 4.47Å; F440-S449 WeakPolarHBondContact CZ-OG 3.3Å
441A95.2Very high94.5Very high111 Ų11193.8 Ų93.892%0.91754%0.542SS*.SBendtrans-90.2-22.6175.300000113.3
442S96.1Very high94.6Very high59 Ų5991.2 Ų91.241%0.41354%0.537SS..SBendtrans-127.7141.8-176.4176.70000110.4D444 A445 F446S442-D444 VanDerWaalsContact C-N 3.29Å; S442-D444 PolarHBondContact O-N 2.98Å; S442-D444 PolarHBondContact OG-N 2.77Å; S442-A445 WeakPolarHBondContact O-CB 3.22Å; S442-A445 PolarHBondContact O-N 3.09Å; S442-F446 PolarHBondContact O-N 3.34Å
443Q95Very high94.8Very high117 Ų11787.4 Ų87.455%0.54752%0.524SS..Hα-helixtrans-57.1-44.1174.1177.7178.7-6.200111.4V436 A445 F446 E447V436-Q443 HydrophobicContact CG2-CB 3.91Å; Q443-A445 VanDerWaalsContact C-N 3.29Å; Q443-A445 PolarHBondContact O-N 3.11Å; Q443-F446 WeakPolarHBondContact O-CB 3.36Å; Q443-F446 PolarHBondContact O-N 3.44Å; Q443-F446 VanDerWaalsContact O-N 3.13Å; Q443-E447 HydrophobicContact CG-CG 4.24Å; Q443-E447 VanDerWaalsContact CG-OE1 3.32Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.46Å; Q443-E447 PolarHBondContact NE2-OE1 2.99Å; Q443-E447 WeakPolarHBondContact O-CG 3.39Å; Q443-E447 PolarHBondContact O-N 3.06Å
444D96.3Very high95.1Very high72 Ų7287.1 Ų87.139%0.38552%0.522SS..Hα-helixtrans-62.8-35.4-179.9174.947000112S442 R448S442-D444 VanDerWaalsContact C-N 3.29Å; S442-D444 PolarHBondContact O-N 2.98Å; S442-D444 PolarHBondContact OG-N 2.77Å; D444-R448 VanDerWaalsContact CG-NH1 3.3Å; D444-R448 WeakPolarHBondContact O-CB 3.46Å; D444-R448 VanDerWaalsContact O-CG 3.31Å; D444-R448 WeakPolarHBondContact O-CG 3.35Å; D444-R448 PolarHBondContact O-N 3.23Å; D444-R448 IonicContact OD1-CZ 2.78Å; D444-R448 IonicContact OD1-NE 2.99Å; D444-R448 IonicContact OD1-NH1 2.71Å; D444-R448 IonicContact OD1-NH2 2.97Å; D444-R448 PolarHBondContact OD1-NH2 3.31Å; D444-R448 IonicContact OD2-CZ 3.12Å; D444-R448 IonicContact OD2-NH1 3.2Å; D444-R448 PolarHBondContact OD2-NH1 3.39Å; D444-R448 IonicContact OD2-NH2 2.69Å; D444-R448 PolarHBondContact OD2-NH2 3Å
445A96.5Very high95.3Very high40 Ų4083.6 Ų83.633%0.33149%0.486SS..Hα-helixtrans-66.7-42174.600000111.8F440 S442 Q443 S449F440-A445 HydrophobicContact CD1-CB 4.21Å; S442-A445 WeakPolarHBondContact O-CB 3.22Å; S442-A445 PolarHBondContact O-N 3.09Å; Q443-A445 VanDerWaalsContact C-N 3.29Å; Q443-A445 PolarHBondContact O-N 3.11Å; A445-S449 PolarHBondContact O-N 3.41Å
446F96.2Very high95.4Very high47 Ų4786.3 Ų86.321%0.20648%0.483CS..Hα-helixtrans-64-49.5174.8167.8-100.4000111.3L433 V436 P437 F440 S442 Q443 R448 S449 A450L433-F446 HydrophobicContact CD1-CD1 4.16Å; L433-F446 HydrophobicContact CD1-CE1 3.28Å; L433-F446 HydrophobicContact CD1-CE2 4.17Å; L433-F446 HydrophobicContact CD1-CZ 3.29Å; V436-F446 HydrophobicContact CG1-CB 4.3Å; P437-F446 HydrophobicContact CG-CD2 4.13Å; P437-F446 HydrophobicContact CG-CE2 3.96Å; P437-F446 HydrophobicContact CG-CZ 4.43Å; F440-F446 HydrophobicContact CB-CB 4.07Å; F440-F446 HydrophobicContact CD1-CB 4.4Å; F440-F446 HydrophobicContact CD2-CB 3.99Å; F440-F446 AromaticContact CD2-CD2 3.72Å; F440-F446 HydrophobicContact CD2-CD2 3.72Å; F440-F446 HydrophobicContact CD2-CG 4.34Å; F440-F446 AromaticContact CE2-CD2 3.77Å; F440-F446 HydrophobicContact CE2-CD2 3.77Å; F440-F446 HydrophobicContact CG-CB 3.89Å; F440-F446 HydrophobicContact CG-CD2 4.47Å; S442-F446 PolarHBondContact O-N 3.34Å; Q443-F446 WeakPolarHBondContact O-CB 3.36Å; Q443-F446 PolarHBondContact O-N 3.44Å; Q443-F446 VanDerWaalsContact O-N 3.13Å; F446-R448 VanDerWaalsContact C-N 3.32Å; F446-R448 PolarHBondContact O-N 3.37Å; F446-S449 WeakPolarHBondContact O-CB 3.3Å; F446-S449 PolarHBondContact O-N 2.89Å; F446-S449 PolarHBondContact O-OG 3.04Å; F446-A450 HydrophobicContact CE1-CB 4.49Å; F446-A450 HydrophobicContact CE2-CB 4.49Å; F446-A450 HydrophobicContact CZ-CB 4.19Å; F446-A450 PolarHBondContact O-N 2.82Å
447E95.4Very high95.5Very high97 Ų9790.6 Ų90.645%0.45350%0.499SS..Hα-helixtrans-61.2-39.5-179.2-72.9-179.5-175.600112Q443 S449 A450 S451Q443-E447 HydrophobicContact CG-CG 4.24Å; Q443-E447 VanDerWaalsContact CG-OE1 3.32Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.46Å; Q443-E447 PolarHBondContact NE2-OE1 2.99Å; Q443-E447 WeakPolarHBondContact O-CG 3.39Å; Q443-E447 PolarHBondContact O-N 3.06Å; E447-S449 PolarHBondContact O-N 3.21Å; E447-A450 CarbonylContact O-C 3.38Å; E447-A450 PolarHBondContact O-N 2.85Å; E447-S451 WeakPolarHBondContact O-CB 3.43Å; E447-S451 PolarHBondContact O-N 3.4Å
448R95.8Very high95.6Very high156 Ų15696.7 Ų96.759%0.58952%0.516SS*.Hα-helixtrans-60.1-43.3171.5-75.9-172.1-171.5107.413.8112.4D444 F446 A450 S451D444-R448 VanDerWaalsContact CG-NH1 3.3Å; D444-R448 WeakPolarHBondContact O-CB 3.46Å; D444-R448 VanDerWaalsContact O-CG 3.31Å; D444-R448 WeakPolarHBondContact O-CG 3.35Å; D444-R448 PolarHBondContact O-N 3.23Å; D444-R448 IonicContact OD1-CZ 2.78Å; D444-R448 IonicContact OD1-NE 2.99Å; D444-R448 IonicContact OD1-NH1 2.71Å; D444-R448 IonicContact OD1-NH2 2.97Å; D444-R448 PolarHBondContact OD1-NH2 3.31Å; D444-R448 IonicContact OD2-CZ 3.12Å; D444-R448 IonicContact OD2-NH1 3.2Å; D444-R448 PolarHBondContact OD2-NH1 3.39Å; D444-R448 IonicContact OD2-NH2 2.69Å; D444-R448 PolarHBondContact OD2-NH2 3Å; F446-R448 VanDerWaalsContact C-N 3.32Å; F446-R448 PolarHBondContact O-N 3.37Å; R448-A450 VanDerWaalsContact C-N 3.31Å; R448-A450 PolarHBondContact O-N 2.98Å; R448-S451 PolarHBondContact O-N 3.35Å; R448-S451 PolarHBondContact O-OG 2.85Å
449S94Very high95.6Very high66 Ų6689.1 Ų89.146%0.46249%0.485SS..Hα-helixtrans-65.1-34.8178.576.90000112.8F440 A445 F446 E447F440-S449 WeakPolarHBondContact CZ-OG 3.3Å; A445-S449 PolarHBondContact O-N 3.41Å; F446-S449 WeakPolarHBondContact O-CB 3.3Å; F446-S449 PolarHBondContact O-N 2.89Å; F446-S449 PolarHBondContact O-OG 3.04Å; E447-S449 PolarHBondContact O-N 3.21Å
450A93Very high95.8Very high62 Ų6289.1 Ų89.151%0.51249%0.485SS..Hα-helixtrans-89.2-5.6-179.200000113.9F446 E447 R448 N452F446-A450 HydrophobicContact CE1-CB 4.49Å; F446-A450 HydrophobicContact CE2-CB 4.49Å; F446-A450 HydrophobicContact CZ-CB 4.19Å; F446-A450 PolarHBondContact O-N 2.82Å; E447-A450 CarbonylContact O-C 3.38Å; E447-A450 PolarHBondContact O-N 2.85Å; R448-A450 VanDerWaalsContact C-N 3.31Å; R448-A450 PolarHBondContact O-N 2.98Å; A450-N452 VanDerWaalsContact C-N 3.31Å; A450-N452 PolarHBondContact O-N 3.22Å
451S94.6Very high95.8Very high77 Ų7788.9 Ų88.954%0.53850%0.496SS..SBendtrans-68.5-27.4-173.765.20000114E447 R448E447-S451 WeakPolarHBondContact O-CB 3.43Å; E447-S451 PolarHBondContact O-N 3.4Å; R448-S451 PolarHBondContact O-N 3.35Å; R448-S451 PolarHBondContact O-OG 2.85Å
452N93.6Very high95.9Very high125 Ų12590.6 Ų90.667%0.66849%0.487SS*.SBendtrans-94.2120.5-177.1-68.8-28.3000110.9A450A450-N452 VanDerWaalsContact C-N 3.31Å; A450-N452 PolarHBondContact O-N 3.22Å
453P96.1Very high95.9Very high56 Ų5689.4 Ų89.436%0.36448%0.481SS..  trans-69.3136.7175.129.2-34.2000110.5W458 N459P453-W458 HydrophobicContact CB-CB 4.15Å; P453-W458 HydrophobicContact CB-CD2 3.69Å; P453-W458 HydrophobicContact CB-CE3 3.8Å; P453-W458 HydrophobicContact CB-CG 3.87Å; P453-W458 HydrophobicContact CB-CZ3 4.46Å; P453-W458 HydrophobicContact CG-CB 3.56Å; P453-W458 HydrophobicContact CG-CD2 3.86Å; P453-W458 HydrophobicContact CG-CE3 4.41Å; P453-W458 HydrophobicContact CG-CG 3.46Å; P453-W458 VanDerWaalsContact CG-CG 3.46Å; P453-N459 PolarHBondContact O-ND2 3.25Å
454I95.7Very high96.1Very high102 Ų10285.9 Ų85.952%0.52346%0.464SS..  trans-93.2-5.4-179.760.3173000113.8H464 L467I454-H464 PolarHBondContact O-CD2 2.98Å; I454-L467 HydrophobicContact CG2-CB 4.46Å; I454-L467 HydrophobicContact CG2-CD1 4.48Å
455G96.4Very high96.1Very high17 Ų1785.2 Ų85.218%0.17547%0.465CS..SBendtrans-69.8161.3-175.500000114.6E457 W458 N459 H464G455-E457 PolarHBondContact O-N 2.81Å; G455-W458 PolarHBondContact O-N 2.95Å; G455-N459 PolarHBondContact O-N 3.03Å; G455-N459 PolarHBondContact O-ND2 2.79Å; G455-H464 VanDerWaalsContact C-CD2 3.46Å
456K96.8Very high96.1Very high136 Ų13687.3 Ų87.359%0.59147%0.47SS*.THydrogen-bonded Turntrans-69.1-21.8-175.5-174-179.3176-175.70112.5W458 H464K456-W458 VanDerWaalsContact C-N 3.33Å; K456-H464 PolarHBondContact N-CD2 3.09Å
457E97.1Very high96Very high152 Ų15289.6 Ų89.671%0.7148%0.484SS*.THydrogen-bonded Turntrans-73.9-26.4-179-61.468.4-149.100112.1G455G455-E457 PolarHBondContact O-N 2.81Å
458W96.8Very high96Very high172 Ų17289.4 Ų89.465%0.65249%0.485SS*.THydrogen-bonded Turntrans-104.8-20.1-177.4-59.7-83.2000113.6P453 G455 K456P453-W458 HydrophobicContact CB-CB 4.15Å; P453-W458 HydrophobicContact CB-CD2 3.69Å; P453-W458 HydrophobicContact CB-CE3 3.8Å; P453-W458 HydrophobicContact CB-CG 3.87Å; P453-W458 HydrophobicContact CB-CZ3 4.46Å; P453-W458 HydrophobicContact CG-CB 3.56Å; P453-W458 HydrophobicContact CG-CD2 3.86Å; P453-W458 HydrophobicContact CG-CE3 4.41Å; P453-W458 HydrophobicContact CG-CG 3.46Å; P453-W458 VanDerWaalsContact CG-CG 3.46Å; G455-W458 PolarHBondContact O-N 2.95Å; K456-W458 VanDerWaalsContact C-N 3.33Å
459N96.8Very high96Very high40 Ų4085.1 Ų85.121%0.21447%0.472CS..SBendtrans-120.6144.7-176.9-63.3-51.7000111.8P453 G455 A463 H464 L467P453-N459 PolarHBondContact O-ND2 3.25Å; G455-N459 PolarHBondContact O-N 3.03Å; G455-N459 PolarHBondContact O-ND2 2.79Å; N459-A463 HydrophobicContact CB-CB 4.27Å; N459-H464 HydrophobicContact CB-CB 4.37Å; N459-L467 WeakPolarHBondContact ND2-CD1 3.44Å
460P98.1Very high96.1Very high95 Ų9585.7 Ų85.762%0.61747%0.474SS*.  trans-60.9151.9170.323.3-29.5000110.9M462 A463 H464P460-M462 VanDerWaalsContact C-N 3.26Å; P460-M462 PolarHBondContact O-N 3.37Å; P460-M462 VanDerWaalsContact O-N 3.1Å; P460-A463 HydrophobicContact CG-CB 3.82Å; P460-A463 WeakPolarHBondContact O-CA 3.33Å; P460-A463 WeakPolarHBondContact O-CB 3.47Å; P460-A463 PolarHBondContact O-N 3.17Å; P460-H464 PolarHBondContact O-N 3.46Å
461A96.4Very high96.3Very high67 Ų6786 Ų8655%0.55447%0.473SS*.Hα-helixtrans-52.9-40.3-170.900000114S465A461-S465 WeakPolarHBondContact O-CB 3.01Å; A461-S465 PolarHBondContact O-N 2.77Å
462M97.1Very high96.3Very high148 Ų14886.2 Ų86.273%0.72947%0.47SS*.Hα-helixtrans-64.2-44.1175.9-68.7-63.4-66.800112.2P460 S465 L466P460-M462 VanDerWaalsContact C-N 3.26Å; P460-M462 PolarHBondContact O-N 3.37Å; P460-M462 VanDerWaalsContact O-N 3.1Å; M462-S465 PolarHBondContact O-N 3.12Å; M462-L466 WeakPolarHBondContact O-CG 3.16Å; M462-L466 PolarHBondContact O-N 3.02Å
463A97.3Very high96.4Very high33 Ų3382 Ų8227%0.27345%0.451SS..Hα-helixtrans-68.1-41.5178.300000111.3N459 P460 S465 L466 L467N459-A463 HydrophobicContact CB-CB 4.27Å; P460-A463 HydrophobicContact CG-CB 3.82Å; P460-A463 WeakPolarHBondContact O-CA 3.33Å; P460-A463 WeakPolarHBondContact O-CB 3.47Å; P460-A463 PolarHBondContact O-N 3.17Å; A463-S465 PolarHBondContact O-N 3.49Å; A463-L466 PolarHBondContact O-N 2.9Å; A463-L467 WeakPolarHBondContact O-CB 3.14Å; A463-L467 VanDerWaalsContact O-CG 3.27Å; A463-L467 WeakPolarHBondContact O-CG 3.46Å; A463-L467 PolarHBondContact O-N 3.24Å
464H98Very high96.3Very high44 Ų4483 Ų8320%0.20446%0.456CS..Hα-helixtrans-56.1-50.6172.5175.4-90.8000110.9I454 G455 K456 N459 P460 L466 L467 I468I454-H464 PolarHBondContact O-CD2 2.98Å; G455-H464 VanDerWaalsContact C-CD2 3.46Å; K456-H464 PolarHBondContact N-CD2 3.09Å; N459-H464 HydrophobicContact CB-CB 4.37Å; P460-H464 PolarHBondContact O-N 3.46Å; H464-L466 VanDerWaalsContact C-N 3.32Å; H464-L466 PolarHBondContact O-N 2.76Å; H464-L467 PolarHBondContact O-N 2.75Å; H464-L467 VanDerWaalsContact O-N 3.15Å; H464-I468 WeakPolarHBondContact O-CG1 3.47Å; H464-I468 PolarHBondContact O-N 3.35Å; H464-I468 VanDerWaalsContact O-N 3.09Å
465S97Very high96.2Very high57 Ų5783.1 Ų83.140%0.39945%0.454SS..Hα-helixtrans-53.8-48.8177.2-167.50000111.5A461 M462 A463 L467 I468 E469A461-S465 WeakPolarHBondContact O-CB 3.01Å; A461-S465 PolarHBondContact O-N 2.77Å; M462-S465 PolarHBondContact O-N 3.12Å; A463-S465 PolarHBondContact O-N 3.49Å; S465-L467 PolarHBondContact O-N 3.41Å; S465-I468 WeakPolarHBondContact O-CG1 3.47Å; S465-I468 PolarHBondContact O-N 2.93Å; S465-E469 WeakPolarHBondContact O-CG 3.46Å; S465-E469 PolarHBondContact O-N 3.49Å
466L95.4Very high96Very high84 Ų8490.9 Ų90.944%0.4449%0.488SS..Hα-helixtrans-64.3-37.8179-68.5169.7000112.8R104 M462 A463 H464R104-L466 PolarHBondContact NH2-O 3.16Å; M462-L466 WeakPolarHBondContact O-CG 3.16Å; M462-L466 PolarHBondContact O-N 3.02Å; A463-L466 PolarHBondContact O-N 2.9Å; H464-L466 VanDerWaalsContact C-N 3.32Å; H464-L466 PolarHBondContact O-N 2.76Å
467L95Very high95.6Very high95 Ų9588.7 Ų88.750%0.49750%0.504SS..Hα-helixtrans-71.3-30.6-178.6-73.3169.3000112.9I454 N459 A463 H464 S465I454-L467 HydrophobicContact CG2-CB 4.46Å; I454-L467 HydrophobicContact CG2-CD1 4.48Å; N459-L467 WeakPolarHBondContact ND2-CD1 3.44Å; A463-L467 WeakPolarHBondContact O-CB 3.14Å; A463-L467 VanDerWaalsContact O-CG 3.27Å; A463-L467 WeakPolarHBondContact O-CG 3.46Å; A463-L467 PolarHBondContact O-N 3.24Å; H464-L467 PolarHBondContact O-N 2.75Å; H464-L467 VanDerWaalsContact O-N 3.15Å; S465-L467 PolarHBondContact O-N 3.41Å
468I95.8Very high95.2Very high94 Ų9485.9 Ų85.948%0.48249%0.491SS..Hα-helixtrans-92.5-4.4-179.869.9165.1000113.5H464 S465H464-I468 WeakPolarHBondContact O-CG1 3.47Å; H464-I468 PolarHBondContact O-N 3.35Å; H464-I468 VanDerWaalsContact O-N 3.09Å; S465-I468 WeakPolarHBondContact O-CG1 3.47Å; S465-I468 PolarHBondContact O-N 2.93Å
469E95.4Very high94.9Very high66 Ų6684.1 Ų84.131%0.30849%0.493SS..  trans-64130.8180-92.8173-125.600111.1R104 S465R104-E469 IonicContact CZ-OE2 3.54Å; R104-E469 IonicContact NE-OE2 2.77Å; R104-E469 VanDerWaalsContact NH1-CD 3.3Å; R104-E469 IonicContact NH1-OE1 3.72Å; R104-E469 IonicContact NH1-OE2 2.8Å; R104-E469 PolarHBondContact NH1-OE2 3.25Å; S465-E469 WeakPolarHBondContact O-CG 3.46Å; S465-E469 PolarHBondContact O-N 3.49Å
470P96.5Very high94.6Very high77 Ų7786.5 Ų86.550%0.551%0.505SS..  trans-71.2151.1-178.330.6-35.5000111.1V472P470-V472 PolarHBondContact O-N 3.19Å
471S95.6Very high94.3Very high70 Ų7090.3 Ų90.349%0.4951%0.507SS..SBendtrans-65.2-27.6175-177.60000112.6D103 R104 I105D103-S471 PolarHBondContact O-OG 2.99Å; D103-S471 VanDerWaalsContact O-OG 3.06Å; R104-S471 CarbonylContact C-O 3.59Å; R104-S471 VanDerWaalsContact CA-O 3.31Å; R104-S471 WeakPolarHBondContact CA-O 3.44Å; I105-S471 PolarHBondContact N-O 3.01Å
472V96Very high94.2Very high81 Ų8192.5 Ų92.549%0.49152%0.515SS..EExtended strand (participates in β ladder)trans-125.4124174.4-178.10000109I105 F107 P470I105-V472 WeakPolarHBondContact O-CA 3.25Å; F107-V472 HydrophobicContact CD2-CG1 4.06Å; F107-V472 HydrophobicContact CE2-CG1 3.97Å; P470-V472 PolarHBondContact O-N 3.19Å
473S95Very high93.8Very high37 Ų3787.2 Ų87.226%0.25950%0.495SS..EExtended strand (participates in β ladder)trans-125.5141.3172.677.80000111I105 H106 F107I105-S473 PolarHBondContact O-N 3.21Å; H106-S473 CarbonylContact C-O 3.27Å; H106-S473 WeakPolarHBondContact CA-O 3.46Å; H106-S473 PolarHBondContact ND1-OG 3.49Å; F107-S473 PolarHBondContact N-O 2.9Å
474T94.7Very high93.5Very high75 Ų7590.1 Ų90.146%0.4651%0.506SS..EExtended strand (participates in β ladder)trans-124.6134.9-178.355.40000110.3F107 I480F107-T474 HydrophobicContact CB-CG2 4.21Å; F107-T474 HydrophobicContact CD2-CG2 4.29Å; T474-I480 HydrophobicContact CG2-CD1 3.64Å
475E92.2Very high93Very high106 Ų10696.2 Ų96.250%0.49553%0.527SS..  trans-72.9134.6170.6-66.5-168.1170.300111.2F107F107-E475 PolarHBondContact O-N 3.29Å
476M92.5Very high92.5Very high179 Ų17997 Ų9788%0.88253%0.533SS*.THydrogen-bonded Turntrans-77134.5-179.3-65.8-62.6-66.600110.5E478M476-E478 VanDerWaalsContact C-N 3.31Å
477G89.5Confident91.9Very high90 Ų9095.4 Ų95.493%0.92852%0.524SS*.THydrogen-bonded Turntrans87.7-8.8176.500000114.9
478E88.1Confident91.4Very high94 Ų9492.1 Ų92.144%0.43951%0.508SS..SBendtrans-99.8139.9173.9-170.2157.1178.200111.9P108 M476 I480P108-E478 HydrophobicContact CG-CG 4.31Å; M476-E478 VanDerWaalsContact C-N 3.31Å; E478-I480 PolarHBondContact O-N 3.04Å
479I90.6Very high90.4Very high135 Ų13591.3 Ų91.369%0.69251%0.508SS*.  trans-77.7124179.8-62.5167.9000109.2R481I479-R481 PolarHBondContact O-N 3.32Å
480I91.4Very high88.9Confident89 Ų8997.2 Ų97.246%0.45653%0.533SS..  trans-73.499.6173.6-54.1176.9000109.3F107 T474 E478F107-I480 HydrophobicContact CB-CD1 4.18Å; F107-I480 HydrophobicContact CB-CG1 4.16Å; F107-I480 HydrophobicContact CB-CG2 4.27Å; F107-I480 HydrophobicContact CD1-CG2 3.5Å; F107-I480 HydrophobicContact CE1-CG2 4Å; F107-I480 HydrophobicContact CG-CD1 4.44Å; F107-I480 HydrophobicContact CG-CG2 3.99Å; T474-I480 HydrophobicContact CG2-CD1 3.64Å; E478-I480 PolarHBondContact O-N 3.04Å
481R91.5Very high86.8Confident175 Ų17597.9 Ų97.966%0.6655%0.553SS**PPolyproline II helixtrans-75.9147.9176.5-66.9-176-179.6-179.61.8111.3I479I479-R481 PolarHBondContact O-N 3.32Å
482P93Very high84.1Confident114 Ų11497 Ų9774%0.7456%0.556SS**PPolyproline II helixtrans-61.3151.6169.828.1-34.2000110D484P482-D484 PolarHBondContact O-N 2.79Å
483A89.7Confident81.4Confident37 Ų37102.9 Ų102.931%0.30658%0.575SS.*PPolyproline II helixtrans-58.2126.7175.100000110.4W92 F95 L109 L487W92-A483 HydrophobicContact CH2-CB 4.04Å; W92-A483 WeakPolarHBondContact CH2-O 3.38Å; W92-A483 HydrophobicContact CZ3-CB 3.74Å; F95-A483 HydrophobicContact CE1-CB 3.96Å; F95-A483 HydrophobicContact CZ-CB 4.11Å; L109-A483 HydrophobicContact CD1-CB 4.45Å; A483-L487 HydrophobicContact CB-CD1 3.79Å
484D89.9Confident79Confident93 Ų93108 Ų10850%0.49760%0.595SS.*PPolyproline II helixtrans-98.2162.2172.8-16713.5000110.6W92 P482 S486 L487W92-D484 WeakPolarHBondContact CH2-O 3.25Å; P482-D484 PolarHBondContact O-N 2.79Å; D484-S486 PolarHBondContact O-N 2.91Å; D484-L487 WeakPolarHBondContact O-CB 3.42Å; D484-L487 PolarHBondContact O-N 3.42Å
485R88.3Confident76.2Confident172 Ų172112.6 Ų112.665%0.64961%0.611SS**G310 helixtrans-57.2-17.7178.2-68.5-176.9173.8-169.8-4.9113.3W92 L487 L488W92-R485 HydrophobicContact CZ2-CG 4.08Å; R485-L487 PolarHBondContact O-N 3.23Å; R485-L488 HydrophobicContact CG-CD1 4.47Å; R485-L488 WeakPolarHBondContact O-CB 3.47Å; R485-L488 PolarHBondContact O-N 3.34Å; R485-L488 VanDerWaalsContact O-N 3.14Å
486S85.5Confident73.9Confident75 Ų75116.3 Ų116.352%0.52462%0.621SS.*G310 helixtrans-60.3-24.4172.661.20000113.6Q110 D484Q110-S486 PolarHBondContact NE2-OG 2.79Å; D484-S486 PolarHBondContact O-N 2.91Å
487L83.4Confident71.3Confident49 Ų49111.2 Ų111.226%0.25760%0.603SS.*G310 helixtrans-82.2-15.2177.3-62.2177.2000113.2F95 L109 Q110 A483 D484 R485F95-L487 HydrophobicContact CD2-CB 4.42Å; F95-L487 HydrophobicContact CE2-CB 3.98Å; F95-L487 HydrophobicContact CE2-CD1 4.21Å; F95-L487 HydrophobicContact CZ-CD1 4.1Å; L109-L487 HydrophobicContact CB-CD1 3.94Å; L109-L487 HydrophobicContact CD1-CD1 4.07Å; Q110-L487 HydrophobicContact CG-CD1 4.33Å; Q110-L487 HydrophobicContact CG-CD2 3.88Å; Q110-L487 HydrophobicContact CG-CG 4.2Å; A483-L487 HydrophobicContact CB-CD1 3.79Å; D484-L487 WeakPolarHBondContact O-CB 3.42Å; D484-L487 PolarHBondContact O-N 3.42Å; R485-L487 PolarHBondContact O-N 3.23Å
488L84.5Confident69.1Low27 Ų27116.1 Ų116.114%0.14160%0.599CS.*SBendtrans-75140.3175.9-62.6178.6000109.7D91 W92 F95 R485 K490D91-L488 HydrophobicContact CB-CD1 4.34Å; D91-L488 WeakPolarHBondContact O-CD2 3.45Å; W92-L488 HydrophobicContact CD2-CD1 4.14Å; W92-L488 HydrophobicContact CD2-CD2 3.86Å; W92-L488 HydrophobicContact CD2-CG 4.35Å; W92-L488 HydrophobicContact CE3-CD2 3.63Å; W92-L488 HydrophobicContact CE3-CG 4.29Å; W92-L488 HydrophobicContact CG-CD2 4.39Å; W92-L488 HydrophobicContact CH2-CD1 4.47Å; W92-L488 HydrophobicContact CH2-CD2 4.45Å; W92-L488 HydrophobicContact CH2-CG 4.26Å; W92-L488 HydrophobicContact CZ2-CD1 4.01Å; W92-L488 HydrophobicContact CZ2-CG 4.3Å; W92-L488 HydrophobicContact CZ3-CD2 3.94Å; W92-L488 HydrophobicContact CZ3-CG 4.23Å; F95-L488 HydrophobicContact CB-CD2 3.84Å; F95-L488 HydrophobicContact CG-CD2 4.42Å; R485-L488 HydrophobicContact CG-CD1 4.47Å; R485-L488 WeakPolarHBondContact O-CB 3.47Å; R485-L488 PolarHBondContact O-N 3.34Å; R485-L488 VanDerWaalsContact O-N 3.14Å; L488-K490 PolarHBondContact O-N 2.95Å
489P74.5Confident66.7Low76 Ų76116.8 Ų116.849%0.49461%0.606SS.*  trans-59.2115.2174.523.7-31.1000109.2G491P489-G491 PolarHBondContact O-N 3.42Å
490K64.5Low64.4Low191 Ų191120.3 Ų120.383%0.8362%0.616SS**  trans-55129.1173.2-65.3-178.1-178.5177.70107.5L488 G492L488-K490 PolarHBondContact O-N 2.95Å; K490-G492 PolarHBondContact O-N 3.04Å
491G51.5Low62.1Low90 Ų90122 Ų12293%0.92863%0.632SS**SBendtrans-58.341.6-167.900000119.1P489P489-G491 PolarHBondContact O-N 3.42Å
492G40Very low59.5Low53 Ų53122.2 Ų122.255%0.54664%0.637SS.*SBendtrans-77.1130.4149.700000107.4K490 Q494K490-G492 PolarHBondContact O-N 3.04Å; G492-Q494 PolarHBondContact O-N 2.86Å
493K39.2Very low57.1Low204 Ų204121.9 Ų121.989%0.88763%0.633SS**  trans-50.893.7167.4-62.3171.7-177.8175.40107.8Q495K493-Q495 PolarHBondContact O-N 2.78Å
494Q44.5Very low54.6Low144 Ų144132.3 Ų132.367%0.67366%0.664SS**  trans-6794.5159.4-76-170.22.600103.5G492 Y496G492-Q494 PolarHBondContact O-N 2.86Å; Q494-Y496 PolarHBondContact O-N 3.1Å
495Q36.9Very low52.3Low171 Ų171137.7 Ų137.780%0.79968%0.678SS**  trans-54.2105.5158.6-68.9-166.7-17.400104.2K493 S497K493-Q495 PolarHBondContact O-N 2.78Å; Q495-S497 PolarHBondContact O-N 3.4Å
496Y42.4Very low50.1Low184 Ų184136.4 Ų136.472%0.72268%0.684SS**  trans-57.787.2152.1-95-89.4000104.9Q494 K498Q494-Y496 PolarHBondContact O-N 3.1Å; Y496-K498 PolarHBondContact O-N 2.97Å
497S37.6Very low48.1Very low72 Ų72145.3 Ų145.350%0.50371%0.706SS.*  trans-60110.7164.459.80000104.3Q495 D499Q495-S497 PolarHBondContact O-N 3.4Å; S497-D499 PolarHBondContact O-N 2.88Å
498K44.5Very low46.4Very low194 Ų194151.6 Ų151.684%0.84373%0.731SS**THydrogen-bonded Turntrans-64.333.8165.8-86.9179.8170.6175.60111.6Y496Y496-K498 PolarHBondContact O-N 2.97Å
499D38.4Very low44.6Very low107 Ų107155.4 Ų155.457%0.57276%0.756SS**THydrogen-bonded Turntrans-103.25.3-169.5-68.8-32.5000113.3S497 T501S497-D499 PolarHBondContact O-N 2.88Å; D499-T501 PolarHBondContact O-N 3.17Å; D499-T501 VanDerWaalsContact O-N 3.1Å
500F41.4Very low43.2Very low209 Ų209162.1 Ų162.192%0.91778%0.777SS**THydrogen-bonded Turntrans-83.337.6169.3-120-87000113.1
501T42.3Very low42.2Very low126 Ų126160.5 Ų160.577%0.77378%0.777SS**THydrogen-bonded Turntrans-153.947.1160.450.60000110.8D499D499-T501 PolarHBondContact O-N 3.17Å; D499-T501 VanDerWaalsContact O-N 3.1Å
502K37.4Very low41.9Very low179 Ų179167.1 Ų167.178%0.77877%0.774SS**  trans-113.185.2155.6-82.9-177.8-179168.50108.9R504K502-R504 PolarHBondContact O-N 3.12Å
503T43.1Very low42.5Very low106 Ų106170.8 Ų170.865%0.6579%0.788SS**  trans-47.8128150.9460000107.9R505T503-R505 VanDerWaalsContact C-N 3.32Å; T503-R505 PolarHBondContact O-N 3.11Å
504R37.7Very low43Very low256 Ų256169 Ų16997%0.96679%0.787SS**SBendtrans-3888.7169.5-174.2179.7172.6-174.3-2.5111.1K502K502-R504 PolarHBondContact O-N 3.12Å
505R41.7Very low43.4Very low207 Ų207170.6 Ų170.678%0.78179%0.794SS**  trans-139.2124.4169.3-70.1-173.4-174.4158.52108.1T503T503-R505 VanDerWaalsContact C-N 3.32Å; T503-R505 PolarHBondContact O-N 3.11Å
506D42Very low43.9Very low144 Ų144174.4 Ų174.477%0.7780%0.801SS**  trans69.179.1162.8-51.9-34.5000118.7K508D506-K508 VanDerWaalsContact C-N 3.33Å
507R42.6Very low44.1Very low262 Ų262177 Ų17799%0.98981%0.81SS**  trans-87.977.8141.3-78.1-174.8177.6176.9-0.4108.3
508K47.6Very low44.7Very low181 Ų181183.3 Ų183.379%0.78783%0.828SS**  trans-107.1105.6163.5-114.9177.5-179.9174.60108.6D506D506-K508 VanDerWaalsContact C-N 3.33Å
509T47.4Very low44.9Very low108 Ų108187.5 Ų187.566%0.66385%0.847SS**  trans27.8110.3141.740.90000117.9L511T509-L511 PolarHBondContact O-N 3.33Å
510K44.6Very low45.2Very low217 Ų217191.5 Ų191.594%0.94386%0.86SS**  trans-68.492.3155.7-73-177.9176.91790108.8
511L44.6Very low45.4Very low156 Ų156190.6 Ų190.682%0.81786%0.857SS**  trans-94.4127.7160.4-77.3163.3000108.9T509T509-L511 PolarHBondContact O-N 3.33Å
512R44.2Very low45.6Very low230 Ų230194.2 Ų194.287%0.86886%0.862SS**  trans-61.3143.8174.8-70.2178.2-178-136.32.3109.9L514R512-L514 PolarHBondContact O-N 3.35Å
513P51.6Low46Very low130 Ų130195.1 Ų195.184%0.84487%0.867SS**  trans-70.8109.3165.6-10.326.1000109.2
514L50Low46.2Very low166 Ų166200.6 Ų200.687%0.86988%0.88SS**  trans-81.5119.6161.5-96.6147.8000107.7R512 R516R512-L514 PolarHBondContact O-N 3.35Å; L514-R516 PolarHBondContact O-N 2.99Å
515E52.8Low46.8Very low177 Ų177196.9 Ų196.983%0.82788%0.875SS**  trans-53.9124.1175.8-66.9179.914200111.3R517E515-R517 PolarHBondContact O-N 3.5Å; E515-R517 VanDerWaalsContact O-N 3.08Å
516R48.8Very low47.2Very low251 Ų251196.2 Ų196.295%0.94788%0.881SS**  trans-68.8100.9165.7-67.4176.5108178.74.5108.3L514 K518L514-R516 PolarHBondContact O-N 2.99Å; R516-K518 PolarHBondContact O-N 2.87Å
517R46.3Very low47.6Very low238 Ų238200.2 Ų200.290%0.89889%0.89SS**  trans-73120.9161.4-70.4-179.290.8169.76108.3E515E515-R517 PolarHBondContact O-N 3.5Å; E515-R517 VanDerWaalsContact O-N 3.08Å
518K49Very low48Very low205 Ų205195.1 Ų195.189%0.89188%0.882SS**  trans-49.8133.6165.2-72.1171166.71770111R516R516-K518 PolarHBondContact O-N 2.87Å
519K48.9Very low48Very low282 Ų282196.4 Ų196.4100%1.22689%0.89SS**  trans-137.50136.2-105.3-172.6178-1770107.4

Retrieved 519 of 519 residues in 379.7 ms (Link to these results)